| 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 | I | 54.2 | Low | 50.7 | Low | 200 Ų | 200 | 151.1 Ų | 151.1 | 100% | 1.026 | 73% | 0.728 | S | S | * | * | 0 | -8.4 | 0 | -69.3 | 171.6 | 0 | 0 | 0 | 114 | |||||
| 2 | N | 51.8 | Low | 50.6 | Low | 156 Ų | 156 | 154.9 Ų | 154.9 | 83% | 0.834 | 73% | 0.729 | S | S | * | * | trans | -109.3 | 36.5 | -179.7 | -78 | -12.2 | 0 | 0 | 0 | 116.4 | ||||
| 3 | N | 48.8 | Very low | 50.3 | Low | 127 Ų | 127 | 152.4 Ų | 152.4 | 68% | 0.679 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -134.6 | 4.4 | 172.4 | -128.1 | -1.6 | 0 | 0 | 0 | 115.7 | ||
| 4 | I | 49.8 | Very low | 49.9 | Very low | 134 Ų | 134 | 149.8 Ų | 149.8 | 69% | 0.687 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -97.1 | -16.3 | -180 | -65.4 | 169.7 | 0 | 0 | 0 | 111.8 | ||
| 5 | N | 52.8 | Low | 49.4 | Very low | 130 Ų | 130 | 145.3 Ų | 145.3 | 70% | 0.695 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 8.4 | -176.8 | -82.3 | -16.5 | 0 | 0 | 0 | 115.7 | ||
| 6 | R | 52 | Low | 48.9 | Very low | 212 Ų | 212 | 145.1 Ų | 145.1 | 80% | 0.8 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | -20.9 | 176.4 | -83.4 | -177.1 | 175.9 | 174.1 | -1 | 114.4 | ||
| 7 | Q | 49 | Very low | 48.4 | Very low | 150 Ų | 150 | 145.8 Ų | 145.8 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -32.6 | 177.9 | -95.7 | 163 | -38.8 | 0 | 0 | 113 | K9 K10 | Q7-K9 PolarHBondContact O-N 3.47Å; Q7-K10 PolarHBondContact O-N 2.98Å |
| 8 | T | 53.9 | Low | 47.6 | Very low | 74 Ų | 74 | 150.9 Ų | 150.9 | 45% | 0.454 | 73% | 0.726 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.3 | -6.5 | -179.2 | 52.5 | 0 | 0 | 0 | 0 | 115 | ||
| 9 | K | 49 | Very low | 47.1 | Very low | 167 Ų | 167 | 152 Ų | 152 | 73% | 0.726 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -15.9 | 175.9 | -152.2 | 172.6 | -175.4 | 179.2 | 0 | 113.1 | Q7 | Q7-K9 PolarHBondContact O-N 3.47Š|
| 10 | K | 48.7 | Very low | 46.4 | Very low | 167 Ų | 167 | 152.5 Ų | 152.5 | 73% | 0.726 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -26.9 | 179.2 | -137 | 176.7 | -176.8 | -175.9 | 0 | 112.4 | Q7 | Q7-K10 PolarHBondContact O-N 2.98Š|
| 11 | E | 47.8 | Very low | 45.7 | Very low | 145 Ų | 145 | 154.4 Ų | 154.4 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -14.9 | -179.3 | -68 | 174.5 | 163.7 | 0 | 0 | 113.9 | ||
| 12 | R | 49.3 | Very low | 44.8 | Very low | 197 Ų | 197 | 152 Ų | 152 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -14.5 | 172.7 | -74.6 | -178.6 | 174.1 | 156.2 | -0.9 | 114.3 | ||
| 13 | N | 46.8 | Very low | 44.3 | Very low | 122 Ų | 122 | 150 Ų | 150 | 65% | 0.652 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -7.2 | -179.9 | -86.3 | -21.2 | 0 | 0 | 0 | 114.3 | ||
| 14 | I | 45.4 | Very low | 43.4 | Very low | 116 Ų | 116 | 149.4 Ų | 149.4 | 60% | 0.595 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -20.8 | 177.5 | -59.9 | 172.2 | 0 | 0 | 0 | 110.9 | L16 | I14-L16 VanDerWaalsContact C-N 3.27Å; I14-L16 PolarHBondContact O-N 3.12Å |
| 15 | A | 41.9 | Very low | 42.4 | Very low | 83 Ų | 83 | 147.9 Ų | 147.9 | 69% | 0.686 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 2.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 16 | L | 41.8 | Very low | 41.4 | Very low | 141 Ų | 141 | 147.1 Ų | 147.1 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | 11.3 | 177.1 | -72.8 | 171.5 | 0 | 0 | 0 | 113.4 | I14 | I14-L16 VanDerWaalsContact C-N 3.27Å; I14-L16 PolarHBondContact O-N 3.12Å |
| 17 | Q | 39.8 | Very low | 40.5 | Very low | 158 Ų | 158 | 141 Ų | 141 | 74% | 0.738 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -106.2 | 9.2 | -176.4 | -147 | 173.5 | 6.7 | 0 | 0 | 114.7 | ||
| 18 | W | 35 | Very low | 39.7 | Very low | 238 Ų | 238 | 140.9 Ų | 140.9 | 90% | 0.902 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -123.9 | 27.5 | 179.5 | -71.8 | 97 | 0 | 0 | 0 | 114.2 | ||
| 19 | Q | 36.9 | Very low | 38.8 | Very low | 171 Ų | 171 | 144.2 Ų | 144.2 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -139.2 | 115 | 172.4 | -149.6 | 138.8 | 13.3 | 0 | 0 | 109.2 | ||
| 20 | N | 33.4 | Very low | 37.9 | Very low | 162 Ų | 162 | 141.2 Ų | 141.2 | 87% | 0.866 | 76% | 0.757 | S | S | * | * | trans | 112.5 | 89.8 | 172.7 | -60.8 | -21.5 | 0 | 0 | 0 | 117 | ||||
| 21 | K | 32.1 | Very low | 37.1 | Very low | 192 Ų | 192 | 140 Ų | 140 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | trans | -164.3 | 114.7 | 143.8 | -116.9 | 174.5 | 175.1 | -179.4 | 0 | 104.4 | ||||
| 22 | D | 34.2 | Very low | 36.4 | Very low | 150 Ų | 150 | 136.5 Ų | 136.5 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | -134.9 | 176.6 | 57.5 | -51.4 | -51.2 | 0 | 0 | 0 | 112.9 | |||||
| 23 | P | 41 | Very low | 36 | Very low | 113 Ų | 113 | 132.1 Ų | 132.1 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | -151.8 | 172.7 | 75.1 | 37.4 | -15.7 | 0 | 0 | 0 | 117.7 | |||||
| 24 | S | 30.6 | Very low | 35.6 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 81.6 | 155.2 | 149.9 | -18 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 25 | S | 28.1 | Very low | 35.4 | Very low | 102 Ų | 102 | 137.7 Ų | 137.7 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | cis | 174.1 | 137.4 | -26.9 | 175.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 26 | S | 32 | Very low | 35.4 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 62.6 | 146.6 | 158.4 | 72.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 27 | A | 33.8 | Very low | 35.6 | Very low | 82 Ų | 82 | 148.8 Ų | 148.8 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | cis | -161.9 | 154.8 | 11.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 28 | D | 32.7 | Very low | 36.1 | Very low | 149 Ų | 149 | 149.2 Ų | 149.2 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | 50.5 | 124.9 | 141.1 | -57.2 | -21.3 | 0 | 0 | 0 | 124.4 | ||||
| 29 | T | 34.2 | Very low | 36.6 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | -167.8 | 158.3 | 99.8 | 21.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 30 | S | 30.4 | Very low | 37.1 | Very low | 104 Ų | 104 | 146.2 Ų | 146.2 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -68.3 | 156.9 | -160.2 | 48.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 31 | V | 32.5 | Very low | 38.3 | Very low | 142 Ų | 142 | 142.8 Ų | 142.8 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | 154 | 129.1 | 111 | 170.1 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 32 | G | 32.8 | Very low | 39.9 | Very low | 72 Ų | 72 | 139.1 Ų | 139.1 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | 144.8 | 91.7 | 160.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 33 | S | 41.6 | Very low | 41.2 | Very low | 105 Ų | 105 | 137.4 Ų | 137.4 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -54.5 | 143 | 175.5 | 59.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 34 | N | 36.7 | Very low | 41.9 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | -161.3 | 133.7 | 131.7 | -90.1 | -34.8 | 0 | 0 | 0 | 111.6 | ||||
| 35 | Q | 42.6 | Very low | 42.7 | Very low | 188 Ų | 188 | 141.6 Ų | 141.6 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | -72.9 | 146.4 | -163.5 | -71.1 | 168.9 | -31.2 | 0 | 0 | 114.4 | ||||
| 36 | R | 40.9 | Very low | 43.7 | Very low | 213 Ų | 213 | 144.3 Ų | 144.3 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -55.8 | 137.5 | 165.2 | -78.1 | 172.1 | 164.3 | 172 | -3.9 | 111.9 | ||||
| 37 | R | 47 | Very low | 44.2 | Very low | 245 Ų | 245 | 144.6 Ų | 144.6 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | trans | -128.5 | 98.7 | 147.5 | -69.1 | -174.1 | -175.9 | 176.1 | 1.8 | 108.7 | ||||
| 38 | K | 49.7 | Very low | 44.9 | Very low | 166 Ų | 166 | 149 Ų | 149 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -93 | 123.4 | 163.5 | -71.1 | -175.8 | 175.5 | -172.6 | 0 | 106.5 | L40 | K38-L40 PolarHBondContact O-N 3.39Š|
| 39 | L | 46.1 | Very low | 45.6 | Very low | 182 Ų | 182 | 151 Ų | 151 | 95% | 0.953 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 117.4 | 173.4 | -70.5 | 162.9 | 0 | 0 | 0 | 108.2 | ||
| 40 | L | 47.5 | Very low | 45.9 | Very low | 165 Ų | 165 | 154 Ų | 154 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 130.7 | 169.3 | -78 | 161.1 | 0 | 0 | 0 | 107.6 | K38 | K38-L40 PolarHBondContact O-N 3.39Š|
| 41 | A | 58.7 | Low | 46.6 | Very low | 90 Ų | 90 | 154.9 Ų | 154.9 | 74% | 0.744 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 148.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 42 | P | 64.1 | Low | 47.3 | Very low | 114 Ų | 114 | 155 Ų | 155 | 74% | 0.74 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 149.4 | 176.9 | -15.4 | 29 | 0 | 0 | 0 | 112.6 | ||
| 43 | P | 62.4 | Low | 47.6 | Very low | 115 Ų | 115 | 155 Ų | 155 | 75% | 0.747 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 126.9 | 173.6 | 29.5 | -32 | 0 | 0 | 0 | 111 | ||
| 44 | M | 55.3 | Low | 47.5 | Very low | 171 Ų | 171 | 155.4 Ų | 155.4 | 84% | 0.842 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 117.9 | 169.4 | -72.6 | -171.3 | -65.6 | 0 | 0 | 109.5 | ||
| 45 | N | 47.8 | Very low | 47.4 | Very low | 145 Ų | 145 | 154.5 Ų | 154.5 | 78% | 0.775 | 81% | 0.814 | S | S | * | * | trans | -95.9 | 111.6 | 169.3 | -60.2 | -26.9 | 0 | 0 | 0 | 107.8 | ||||
| 46 | L | 49.1 | Very low | 47.1 | Very low | 159 Ų | 159 | 153.1 Ų | 153.1 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -101.5 | 102.7 | 173.5 | -74.9 | 163 | 0 | 0 | 0 | 108.4 | L48 | L46-L48 PolarHBondContact O-N 3.26Š| ||
| 47 | S | 43.4 | Very low | 47.4 | Very low | 120 Ų | 120 | 148.3 Ų | 148.3 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | -81.1 | 109.3 | 169.6 | -52 | 0 | 0 | 0 | 0 | 108.5 | E49 | S47-E49 PolarHBondContact O-N 3.48Š| ||
| 48 | L | 47 | Very low | 47.8 | Very low | 175 Ų | 175 | 145.2 Ų | 145.2 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | -80.9 | 103.4 | 168.2 | -99.5 | 147.1 | 0 | 0 | 0 | 108.1 | L46 | L46-L48 PolarHBondContact O-N 3.26Š| ||
| 49 | E | 47.5 | Very low | 47.8 | Very low | 190 Ų | 190 | 145.2 Ų | 145.2 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | -92.5 | 119.9 | 168.5 | -127.2 | -178.3 | 160.6 | 0 | 0 | 110 | S47 | S47-E49 PolarHBondContact O-N 3.48Š| ||
| 50 | R | 41.3 | Very low | 48 | Very low | 207 Ų | 207 | 140.8 Ų | 140.8 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | trans | -76.9 | 113.2 | 176.6 | 179 | 179.7 | -177.6 | 169.8 | 0.2 | 107.9 | E52 | R50-E52 HydrophobicContact CG-CG 4.14Å; R50-E52 IonicContact CZ-OE1 3.19Å; R50-E52 IonicContact NE-OE1 2.97Å; R50-E52 PolarHBondContact NE-OE1 3.37Å; R50-E52 IonicContact NH2-OE1 2.75Å; R50-E52 PolarHBondContact NH2-OE1 3.26Å | ||
| 51 | S | 43.9 | Very low | 48.2 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -102.1 | 107.1 | 166.4 | -172 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 52 | E | 47.9 | Very low | 47.7 | Very low | 143 Ų | 143 | 144.1 Ų | 144.1 | 67% | 0.668 | 81% | 0.81 | S | S | * | * | trans | -87 | 141.9 | 165 | -57.8 | -165.7 | 156.8 | 0 | 0 | 108.6 | R50 | R50-E52 HydrophobicContact CG-CG 4.14Å; R50-E52 IonicContact CZ-OE1 3.19Å; R50-E52 IonicContact NE-OE1 2.97Å; R50-E52 PolarHBondContact NE-OE1 3.37Å; R50-E52 IonicContact NH2-OE1 2.75Å; R50-E52 PolarHBondContact NH2-OE1 3.26Å | ||
| 53 | G | 39.2 | Very low | 47 | Very low | 74 Ų | 74 | 144.5 Ų | 144.5 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | trans | 154.9 | 118.7 | 154.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 54 | S | 38.5 | Very low | 46.3 | Very low | 113 Ų | 113 | 146.3 Ų | 146.3 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | 92.2 | 100.5 | 142.9 | -147.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 55 | L | 36.1 | Very low | 46 | Very low | 146 Ų | 146 | 145.1 Ų | 145.1 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | 87.6 | 114.9 | 64 | -78 | -174.8 | 0 | 0 | 0 | 114.1 | |||||
| 56 | L | 36.6 | Very low | 46.2 | Very low | 159 Ų | 159 | 145.4 Ų | 145.4 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | 70.6 | 141.3 | 151.4 | -50.5 | 173.6 | 0 | 0 | 0 | 115.6 | ||||
| 57 | S | 45.7 | Very low | 46.3 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | cis | -160.4 | 159.5 | 25.8 | 37.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 58 | E | 56.2 | Low | 46.9 | Very low | 179 Ų | 179 | 144.2 Ų | 144.2 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | trans | -53.7 | 147.1 | 158.8 | -70.1 | 160.8 | 85.9 | 0 | 0 | 111.9 | ||||
| 59 | D | 49.5 | Very low | 46.9 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | -170.6 | 140.2 | 128 | -100.2 | -27.3 | 0 | 0 | 0 | 111.5 | |||||
| 60 | A | 50.6 | Low | 47.1 | Very low | 88 Ų | 88 | 140.6 Ų | 140.6 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -65.1 | 162.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 61 | L | 51.7 | Low | 47.1 | Very low | 178 Ų | 178 | 133.8 Ų | 133.8 | 93% | 0.932 | 80% | 0.795 | S | S | * | * | 179.3 | 142.5 | 127.3 | -89.4 | 175.4 | 0 | 0 | 0 | 111.4 | |||||
| 62 | D | 47.8 | Very low | 47.2 | Very low | 148 Ų | 148 | 135 Ų | 135 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -68.2 | 177.8 | 174.4 | -82.9 | -45.8 | 0 | 0 | 0 | 114.1 | ||||
| 63 | T | 49 | Very low | 47.3 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | 97.6 | 105.4 | 154.7 | 55.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 64 | D | 48.1 | Very low | 48 | Very low | 153 Ų | 153 | 140.1 Ų | 140.1 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | 42.9 | 140.1 | 121.3 | -60.2 | -36.5 | 0 | 0 | 0 | 122 | |||||
| 65 | D | 48.5 | Very low | 48.5 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | trans | 74.5 | 113.2 | 150.6 | -130.7 | 17.1 | 0 | 0 | 0 | 118.1 | ||||
| 66 | D | 51.9 | Low | 49.1 | Very low | 151 Ų | 151 | 138.7 Ų | 138.7 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | 175.9 | 141.5 | 102.5 | -107.9 | -41.7 | 0 | 0 | 0 | 111.8 | |||||
| 67 | A | 52.6 | Low | 50 | Low | 82 Ų | 82 | 135.6 Ų | 135.6 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | trans | -69.3 | 146 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 68 | L | 55 | Low | 50.3 | Low | 172 Ų | 172 | 138.6 Ų | 138.6 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | trans | -161.3 | 105.3 | 145 | -64.3 | -176.6 | 0 | 0 | 0 | 106.5 | ||||
| 69 | D | 47.2 | Very low | 50.1 | Low | 147 Ų | 147 | 137.9 Ų | 137.9 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | 52.1 | 92.8 | 78.8 | -166.6 | 28.6 | 0 | 0 | 0 | 115.6 | |||||
| 70 | T | 51.1 | Low | 49.9 | Very low | 141 Ų | 141 | 133 Ų | 133 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | trans | 172.4 | 127.8 | 137.1 | 7.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 71 | G | 43 | Very low | 49.6 | Very low | 65 Ų | 65 | 136.4 Ų | 136.4 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | cis | 130.1 | 105.5 | 26.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 72 | D | 45.1 | Very low | 48.9 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | 166.1 | 93.5 | 138.4 | -104.4 | -3.9 | 0 | 0 | 0 | 111.1 | ||||
| 73 | D | 50.5 | Low | 49 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | trans | -92.8 | 103.3 | 158.8 | -70.2 | -46.9 | 0 | 0 | 0 | 107.9 | D75 | D73-D75 PolarHBondContact O-N 3.03Š| ||
| 74 | L | 53.2 | Low | 49.2 | Very low | 157 Ų | 157 | 133.6 Ų | 133.6 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -88.1 | 90.8 | 167.4 | -71 | 173.6 | 0 | 0 | 0 | 109.4 | A76 | L74-A76 PolarHBondContact O-N 3.14Š| ||
| 75 | D | 49.4 | Very low | 48.6 | Very low | 134 Ų | 134 | 134 Ų | 134 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | trans | -79.1 | 100.5 | 162.7 | -175 | 2.7 | 0 | 0 | 0 | 109.2 | D73 S77 | D73-D75 PolarHBondContact O-N 3.03Å; D75-S77 PolarHBondContact O-N 2.8Å; D75-S77 PolarHBondContact OD1-N 3.01Å; D75-S77 PolarHBondContact OD1-OG 3.13Å | ||
| 76 | A | 48.4 | Very low | 48.7 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -97.5 | 72.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | L74 I78 | L74-A76 PolarHBondContact O-N 3.14Å; A76-I78 PolarHBondContact O-N 3.09Å | ||
| 77 | S | 55.7 | Low | 48.1 | Very low | 94 Ų | 94 | 132.7 Ų | 132.7 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | trans | -72.1 | 101.1 | 159.4 | -66.4 | 0 | 0 | 0 | 0 | 108.5 | D75 D79 | D75-S77 PolarHBondContact O-N 2.8Å; D75-S77 PolarHBondContact OD1-N 3.01Å; D75-S77 PolarHBondContact OD1-OG 3.13Å; S77-D79 PolarHBondContact O-N 3.38Å | ||
| 78 | I | 51.5 | Low | 47.2 | Very low | 176 Ų | 176 | 136.4 Ų | 136.4 | 90% | 0.903 | 80% | 0.799 | S | S | * | * | trans | -92.8 | 96.7 | 168.6 | -148.3 | 156.9 | 0 | 0 | 0 | 107.8 | A76 | A76-I78 PolarHBondContact O-N 3.09Š| ||
| 79 | D | 51.8 | Low | 46.2 | Very low | 165 Ų | 165 | 132.8 Ų | 132.8 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | trans | -119.7 | 134.1 | 169.7 | -148.2 | 12.8 | 0 | 0 | 0 | 107.8 | S77 | S77-D79 PolarHBondContact O-N 3.38Š| ||
| 80 | G | 45.7 | Very low | 45.5 | Very low | 65 Ų | 65 | 134.3 Ų | 134.3 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | trans | 116.3 | 134.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 81 | I | 44.6 | Very low | 44.7 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | 89.2 | 113.5 | 165.2 | -95.9 | 149 | 0 | 0 | 0 | 115.1 | ||||
| 82 | D | 35.9 | Very low | 44.2 | Very low | 142 Ų | 142 | 142 Ų | 142 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | cis | -154.8 | 148.5 | 13.5 | -95.6 | -38.7 | 0 | 0 | 0 | 112.2 | ||||
| 83 | T | 50.6 | Low | 43.4 | Very low | 132 Ų | 132 | 140.5 Ų | 140.5 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | -126.9 | 152.8 | 152.5 | 31.1 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 84 | P | 53.6 | Low | 42.5 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | cis | -146 | 172.2 | 34.2 | 38.9 | -18.5 | 0 | 0 | 0 | 115.9 | ||||
| 85 | D | 36.6 | Very low | 41.3 | Very low | 160 Ų | 160 | 138.6 Ų | 138.6 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | -154.3 | 134 | 131.8 | -154.5 | 9.9 | 0 | 0 | 0 | 111.9 | ||||
| 86 | E | 48.7 | Very low | 40.3 | Very low | 176 Ų | 176 | 135.8 Ų | 135.8 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -117.8 | 118.2 | -178.8 | -78.5 | -85.2 | 134.6 | 0 | 0 | 108 | ||||
| 87 | A | 39.2 | Very low | 39.4 | Very low | 95 Ų | 95 | 140.3 Ų | 140.3 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | 175.4 | 134.3 | 153.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 88 | D | 34.3 | Very low | 38.2 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | cis | -159 | 155.3 | 34.4 | -150.5 | -6.1 | 0 | 0 | 0 | 110.6 | ||||
| 89 | S | 34.7 | Very low | 37 | Very low | 96 Ų | 96 | 141.9 Ų | 141.9 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | trans | -83.7 | 138.2 | -178.2 | -54.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 90 | L | 32 | Very low | 36 | Very low | 180 Ų | 180 | 140.6 Ų | 140.6 | 94% | 0.942 | 79% | 0.79 | S | S | * | * | trans | -147.9 | 108.1 | 145.1 | -75.9 | -174.3 | 0 | 0 | 0 | 111 | ||||
| 91 | E | 35.1 | Very low | 35.2 | Very low | 187 Ų | 187 | 145 Ų | 145 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -68.8 | 134.3 | 162.2 | -63.8 | -179.7 | 140.9 | 0 | 0 | 110 | ||||
| 92 | M | 31.2 | Very low | 34.6 | Very low | 179 Ų | 179 | 148.3 Ų | 148.3 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | trans | -133.4 | 105.4 | 146.2 | -84.4 | -159.3 | 80.4 | 0 | 0 | 109.5 | V94 | M92-V94 PolarHBondContact O-N 3.17Š| ||
| 93 | N | 28.8 | Very low | 34.4 | Very low | 116 Ų | 116 | 148.8 Ų | 148.8 | 62% | 0.62 | 80% | 0.797 | S | S | * | * | trans | -57.1 | 120.3 | 162.2 | 179 | 40.3 | 0 | 0 | 0 | 110.5 | Q95 | N93-Q95 PolarHBondContact ND2-OE1 3.33Å; N93-Q95 VanDerWaalsContact ND2-OE1 3.12Å | ||
| 94 | V | 31.5 | Very low | 33.4 | Very low | 127 Ų | 127 | 149.1 Ų | 149.1 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | -135.3 | 103 | 150.4 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | M92 | M92-V94 PolarHBondContact O-N 3.17Š| ||
| 95 | Q | 28.3 | Very low | 32.8 | Very low | 159 Ų | 159 | 147.8 Ų | 147.8 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | trans | -56.6 | 137.7 | 163.7 | -80.7 | 143.7 | -56.8 | 0 | 0 | 111.4 | N93 | N93-Q95 PolarHBondContact ND2-OE1 3.33Å; N93-Q95 VanDerWaalsContact ND2-OE1 3.12Å | ||
| 96 | G | 28.6 | Very low | 32.5 | Very low | 74 Ų | 74 | 148 Ų | 148 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | -165.5 | 85.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | I98 | G96-I98 PolarHBondContact O-N 3.21Š| ||
| 97 | E | 29.3 | Very low | 32.2 | Very low | 191 Ų | 191 | 147.1 Ų | 147.1 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | trans | -57.1 | 125.1 | 169.3 | -62.6 | 178.1 | 136.2 | 0 | 0 | 110.9 | ||||
| 98 | I | 30.8 | Very low | 32 | Very low | 165 Ų | 165 | 146.5 Ų | 146.5 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -145.9 | 98.8 | 150 | -57.3 | -174.3 | 0 | 0 | 0 | 110.7 | G96 | G96-I98 PolarHBondContact O-N 3.21Š| ||
| 99 | H | 26.1 | Very low | 31.8 | Very low | 138 Ų | 138 | 147 Ų | 147 | 64% | 0.639 | 79% | 0.792 | S | S | * | * | trans | 40.5 | 113.5 | 132.6 | -152.1 | 59.8 | 0 | 0 | 0 | 120.9 | Q101 | H99-Q101 PolarHBondContact NE2-NE2 3.19Å; H99-Q101 PolarHBondContact O-N 3.28Å | ||
| 100 | V | 31.3 | Very low | 32.2 | Very low | 138 Ų | 138 | 150.3 Ų | 150.3 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -71 | 112.6 | 164.5 | 179.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 101 | Q | 28.4 | Very low | 32.2 | Very low | 157 Ų | 157 | 150.7 Ų | 150.7 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -133.4 | 107.1 | 156.2 | -81.8 | -176.2 | 1.3 | 0 | 0 | 112 | H99 | H99-Q101 PolarHBondContact NE2-NE2 3.19Å; H99-Q101 PolarHBondContact O-N 3.28Å | ||
| 102 | R | 31.4 | Very low | 32.5 | Very low | 228 Ų | 228 | 149.3 Ų | 149.3 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -52.3 | 131.9 | 156.3 | -171 | -179 | -160.5 | 153.3 | 3.3 | 109.6 | ||||
| 103 | L | 32.7 | Very low | 32.6 | Very low | 151 Ų | 151 | 144.2 Ų | 144.2 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -175.5 | 115.4 | 144.6 | -95.8 | 156.9 | 0 | 0 | 0 | 111.7 | ||||
| 104 | N | 29.4 | Very low | 33.2 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | trans | 30.5 | 126.7 | 137.4 | -66.7 | 2.1 | 0 | 0 | 0 | 122.1 | ||||
| 105 | A | 40 | Very low | 33.6 | Very low | 87 Ų | 87 | 144 Ų | 144 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | 35.3 | 104.5 | 128.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 106 | N | 30 | Very low | 34.3 | Very low | 165 Ų | 165 | 145.9 Ų | 145.9 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | trans | -163.9 | 110.7 | 132 | -85.6 | -31 | 0 | 0 | 0 | 108.9 | A108 | N106-A108 PolarHBondContact O-N 2.76Š| ||
| 107 | V | 42.3 | Very low | 34.9 | Very low | 157 Ų | 157 | 145.6 Ų | 145.6 | 95% | 0.952 | 78% | 0.781 | S | S | * | * | trans | -73.8 | 103.7 | 166.4 | 173.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 108 | A | 36.3 | Very low | 35.8 | Very low | 82 Ų | 82 | 145.9 Ų | 145.9 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | -162.8 | 138.2 | 157.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N106 | N106-A108 PolarHBondContact O-N 2.76Š| ||
| 109 | H | 30 | Very low | 36.6 | Very low | 170 Ų | 170 | 146.6 Ų | 146.6 | 79% | 0.787 | 78% | 0.782 | S | S | * | * | trans | 82.1 | 95 | 162.8 | -81.7 | -77.6 | 0 | 0 | 0 | 120 | ||||
| 110 | E | 42.5 | Very low | 37.9 | Very low | 165 Ų | 165 | 150.6 Ų | 150.6 | 77% | 0.771 | 80% | 0.797 | S | S | * | * | trans | 6.4 | 120.9 | 131.6 | -65.5 | 176.1 | 158.4 | 0 | 0 | 116.8 | ||||
| 111 | H | 32.2 | Very low | 38.5 | Very low | 189 Ų | 189 | 147.8 Ų | 147.8 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | trans | -135.6 | 91 | 154.5 | -157.9 | -82.8 | 0 | 0 | 0 | 109 | G113 | H111-G113 PolarHBondContact O-N 3.43Š| ||
| 112 | E | 41.3 | Very low | 39.8 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -73.3 | 111 | 172.8 | -67.7 | -171.1 | 148.7 | 0 | 0 | 109.9 | L114 | E112-L114 PolarHBondContact O-N 2.86Å; E112-L114 VanDerWaalsContact O-N 3.13Å | ||
| 113 | G | 32.7 | Very low | 41.6 | Very low | 73 Ų | 73 | 139.6 Ų | 139.6 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | -77.6 | 86.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | H111 T115 | H111-G113 PolarHBondContact O-N 3.43Å; G113-T115 PolarHBondContact O-N 3.23Å | ||
| 114 | L | 42.3 | Very low | 43.8 | Very low | 136 Ų | 136 | 138.2 Ų | 138.2 | 71% | 0.712 | 76% | 0.759 | S | S | * | * | trans | -82.1 | 96.5 | 175.4 | -136.3 | 80.7 | 0 | 0 | 0 | 110.1 | E112 K116 | E112-L114 PolarHBondContact O-N 2.86Å; E112-L114 VanDerWaalsContact O-N 3.13Å; L114-K116 PolarHBondContact O-N 3.48Å | ||
| 115 | T | 39.2 | Very low | 46.8 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 63% | 0.632 | 75% | 0.75 | S | S | * | * | trans | -71.1 | 104.3 | 161.1 | 31.8 | 0 | 0 | 0 | 0 | 108.8 | G113 G117 R128 | G113-T115 PolarHBondContact O-N 3.23Å; T115-G117 PolarHBondContact O-N 3.17Å; T115-R128 PolarHBondContact OG1-NH2 2.86Å | ||
| 116 | K | 43.6 | Very low | 49.4 | Very low | 198 Ų | 198 | 136.9 Ų | 136.9 | 86% | 0.861 | 73% | 0.732 | S | S | * | * | trans | -69.9 | 104.3 | 171.5 | -85.7 | -176.7 | 172.9 | -179.3 | 0 | 110.2 | L114 | L114-K116 PolarHBondContact O-N 3.48Š| ||
| 117 | G | 41.4 | Very low | 52.5 | Low | 67 Ų | 67 | 133.4 Ų | 133.4 | 69% | 0.691 | 71% | 0.707 | S | S | * | * | trans | -114.9 | 120.3 | 151.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | T115 E119 | T115-G117 PolarHBondContact O-N 3.17Å; G117-E119 PolarHBondContact O-N 3.4Å | ||
| 118 | E | 47.4 | Very low | 55 | Low | 197 Ų | 197 | 133.8 Ų | 133.8 | 92% | 0.921 | 69% | 0.691 | S | S | * | * | trans | -67.3 | 113.5 | 179.6 | -63.9 | 177.8 | 134.5 | 0 | 0 | 110.4 | ||||
| 119 | E | 48.4 | Very low | 57.8 | Low | 181 Ų | 181 | 130.6 Ų | 130.6 | 85% | 0.846 | 66% | 0.664 | S | S | * | * | trans | -128.5 | 109.7 | 159.7 | -73.1 | -168.1 | 170.4 | 0 | 0 | 109.6 | G117 G121 | G117-E119 PolarHBondContact O-N 3.4Å; E119-G121 PolarHBondContact O-N 3.17Å | ||
| 120 | K | 52.1 | Low | 60.7 | Low | 221 Ų | 221 | 126.5 Ų | 126.5 | 96% | 0.961 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 104.3 | 177 | -172.2 | -179.5 | -176.1 | -179.9 | 0 | 108.3 | ||
| 121 | G | 45.3 | Very low | 62.8 | Low | 79 Ų | 79 | 119 Ų | 119 | 81% | 0.814 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 130.3 | 20.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | E119 | E119-G121 PolarHBondContact O-N 3.17Š|
| 122 | D | 55.9 | Low | 65.3 | Low | 80 Ų | 80 | 111.5 Ų | 111.5 | 43% | 0.428 | 59% | 0.589 | S | S | . | * | trans | -140.9 | 106.8 | 171.2 | -152.9 | 16.3 | 0 | 0 | 0 | 109.4 | R124 | D122-R124 VanDerWaalsContact CG-CG 3.5Å; D122-R124 PolarHBondContact O-N 3.02Å; D122-R124 VanDerWaalsContact OD1-CG 3.3Å; D122-R124 WeakPolarHBondContact OD1-CG 3.43Å; D122-R124 IonicContact OD1-CZ 3.13Å; D122-R124 IonicContact OD1-NE 2.74Å; D122-R124 PolarHBondContact OD1-NE 2.77Å; D122-R124 IonicContact OD1-NH1 3.29Å; D122-R124 WeakPolarHBondContact OD2-CD 3.21Å; D122-R124 WeakPolarHBondContact OD2-CG 3.5Å; D122-R124 IonicContact OD2-CZ 3.38Å; D122-R124 VanDerWaalsContact OD2-CZ 3.29Å; D122-R124 IonicContact OD2-NE 3.48Å; D122-R124 PolarHBondContact OD2-NE 2.9Å; D122-R124 IonicContact OD2-NH1 3.68Å; D122-R124 PolarHBondContact OD2-NH1 3.3Å | ||
| 123 | D | 69.3 | Low | 67.4 | Low | 134 Ų | 134 | 113.4 Ų | 113.4 | 72% | 0.717 | 60% | 0.598 | S | S | * | * | trans | -66 | 24.1 | 174.2 | -73.2 | -18.7 | 0 | 0 | 0 | 112.3 | K141 | D123-K141 WeakPolarHBondContact O-CD 2.75Å; D123-K141 PolarHBondContact O-NZ 2.92Å; D123-K141 IonicContact OD2-NZ 2.83Å | ||
| 124 | R | 78.8 | Confident | 70.1 | Confident | 121 Ų | 121 | 116.1 Ų | 116.1 | 46% | 0.457 | 59% | 0.591 | S | S | . | * | trans | -85.5 | 127.4 | -176.8 | -72.6 | -171.2 | -163.9 | 139.1 | -8.8 | 110.3 | D122 W126 | D122-R124 VanDerWaalsContact CG-CG 3.5Å; D122-R124 PolarHBondContact O-N 3.02Å; D122-R124 VanDerWaalsContact OD1-CG 3.3Å; D122-R124 WeakPolarHBondContact OD1-CG 3.43Å; D122-R124 IonicContact OD1-CZ 3.13Å; D122-R124 IonicContact OD1-NE 2.74Å; D122-R124 PolarHBondContact OD1-NE 2.77Å; D122-R124 IonicContact OD1-NH1 3.29Å; D122-R124 WeakPolarHBondContact OD2-CD 3.21Å; D122-R124 WeakPolarHBondContact OD2-CG 3.5Å; D122-R124 IonicContact OD2-CZ 3.38Å; D122-R124 VanDerWaalsContact OD2-CZ 3.29Å; D122-R124 IonicContact OD2-NE 3.48Å; D122-R124 PolarHBondContact OD2-NE 2.9Å; D122-R124 IonicContact OD2-NH1 3.68Å; D122-R124 PolarHBondContact OD2-NH1 3.3Å; R124-W126 HydrophobicContact CB-CZ2 4.42Å; R124-W126 VanDerWaalsContact CD-CZ2 3.48Å; R124-W126 PolarHBondContact O-N 3.16Å | ||
| 125 | L | 91.6 | Very high | 72.5 | Confident | 109 Ų | 109 | 117 Ų | 117 | 57% | 0.571 | 59% | 0.592 | S | S | * | * | trans | -92.5 | 74.5 | -178.5 | -66.1 | 174.3 | 0 | 0 | 0 | 109.3 | M140 K141 | L125-M140 HydrophobicContact CB-CB 3.99Å; L125-M140 WeakPolarHBondContact O-CB 3.15Å; L125-M140 WeakPolarHBondContact O-CG 3.3Å; L125-M140 PolarHBondContact O-N 3.03Å; L125-K141 HydrophobicContact CB-CB 4.32Å; L125-K141 HydrophobicContact CD1-CB 4.37Å; L125-K141 HydrophobicContact CG-CB 4.37Å | ||
| 126 | W | 95.4 | Very high | 75.1 | Confident | 90 Ų | 90 | 114 Ų | 114 | 34% | 0.341 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -70.1 | 130.4 | -178.4 | -66.8 | 108.6 | 0 | 0 | 0 | 112.5 | R124 R137 I138 D139 Y180 | R124-W126 HydrophobicContact CB-CZ2 4.42Å; R124-W126 VanDerWaalsContact CD-CZ2 3.48Å; R124-W126 PolarHBondContact O-N 3.16Å; W126-R137 HydrophobicContact CE3-CB 3.94Å; W126-R137 VanDerWaalsContact CG-NH2 3.3Å; W126-R137 HydrophobicContact CZ3-CB 4.29Å; W126-I138 CarbonylContact C-O 3.45Å; W126-I138 WeakPolarHBondContact CA-O 3.37Å; W126-D139 HydrophobicContact CD2-CB 4.49Å; W126-D139 HydrophobicContact CE3-CB 3.93Å; W126-D139 HydrophobicContact CH2-CB 4Å; W126-D139 HydrophobicContact CZ3-CB 3.66Å; W126-Y180 VanDerWaalsContact CH2-OH 3.26Å; W126-Y180 WeakPolarHBondContact CH2-OH 3.32Å |
| 127 | R | 95.5 | Very high | 77.6 | Confident | 92 Ų | 92 | 111.3 Ų | 111.3 | 35% | 0.347 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.6 | 124.2 | 168.5 | -178.1 | -179.3 | 179.1 | -164.6 | -0.2 | 109.5 | V129 R137 I138 M140 | R127-V129 HydrophobicContact CG-CG1 4.22Å; R127-R137 WeakPolarHBondContact O-CA 3.3Å; R127-I138 PolarHBondContact N-O 3.18Å; R127-I138 PolarHBondContact O-N 2.78Å; R127-M140 HydrophobicContact CB-CE 4.29Å; R127-M140 HydrophobicContact CB-CG 3.7Å; R127-M140 HydrophobicContact CB-SD 4.01Å |
| 128 | R | 95 | Very high | 80.3 | Confident | 166 Ų | 166 | 108.1 Ų | 108.1 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | 137.6 | 169.6 | -70.4 | -172.8 | -64.7 | -123.4 | -5.5 | 109.9 | T115 H136 R137 | T115-R128 PolarHBondContact OG1-NH2 2.86Å; R128-H136 WeakPolarHBondContact CA-O 3.49Å; R128-R137 HydrophobicContact CG-CG 4.17Å |
| 129 | V | 93.9 | Very high | 82.6 | Confident | 15 Ų | 15 | 99.1 Ų | 99.1 | 9% | 0.091 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 150.3 | 173.4 | -59.5 | 0 | 0 | 0 | 0 | 109.2 | R127 I131 H136 I138 | R127-V129 HydrophobicContact CG-CG1 4.22Å; V129-I131 HydrophobicContact CG2-CD1 4.05Å; V129-I131 HydrophobicContact CG2-CG1 4.16Å; V129-H136 HydrophobicContact CG2-CB 3.93Å; V129-H136 PolarHBondContact N-O 3.04Å; V129-H136 PolarHBondContact O-N 3.48Å; V129-H136 VanDerWaalsContact O-O 3.12Å; V129-I138 HydrophobicContact CB-CD1 4.35Å; V129-I138 HydrophobicContact CG1-CD1 3.7Å; V129-I138 HydrophobicContact CG1-CG1 4.42Å; V129-I138 HydrophobicContact CG2-CD1 3.68Å; V129-I138 HydrophobicContact CG2-CG1 3.93Å |
| 130 | V | 90.2 | Very high | 84.9 | Confident | 83 Ų | 83 | 92 Ų | 92 | 50% | 0.503 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 123.5 | 170.9 | -176.4 | 0 | 0 | 0 | 0 | 106.4 | Q134 E135 | V130-Q134 WeakPolarHBondContact CA-O 3.11Å; V130-E135 HydrophobicContact CG2-CG 4.27Å |
| 131 | I | 88.4 | Confident | 86.9 | Confident | 8 Ų | 8 | 86.3 Ų | 86.3 | 4% | 0.041 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 117.4 | 175.1 | -63.4 | 166.9 | 0 | 0 | 0 | 107.7 | V129 E133 Q134 L187 I190 E194 | V129-I131 HydrophobicContact CG2-CD1 4.05Å; V129-I131 HydrophobicContact CG2-CG1 4.16Å; I131-E133 PolarHBondContact O-N 3.03Å; I131-E133 VanDerWaalsContact O-N 3.16Å; I131-Q134 PolarHBondContact N-O 3.23Å; I131-Q134 PolarHBondContact O-N 3.4Å; I131-Q134 VanDerWaalsContact O-N 3.11Å; I131-L187 HydrophobicContact CD1-CB 4.25Å; I131-L187 HydrophobicContact CD1-CD2 3.61Å; I131-I190 HydrophobicContact CB-CG2 4.47Å; I131-I190 HydrophobicContact CD1-CB 4.09Å; I131-I190 HydrophobicContact CD1-CG2 4.2Å; I131-I190 HydrophobicContact CG1-CG2 4.16Å; I131-I190 HydrophobicContact CG2-CB 4.45Å; I131-I190 HydrophobicContact CG2-CG2 3.52Å; I131-E194 WeakPolarHBondContact CA-OE1 3.38Å; I131-E194 WeakPolarHBondContact CA-OE2 3.29Å; I131-E194 WeakPolarHBondContact CG1-OE2 3.25Å |
| 132 | G | 84.4 | Confident | 89.3 | Confident | 32 Ų | 32 | 83.9 Ų | 83.9 | 33% | 0.33 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | -115.1 | -165 | 0 | 0 | 0 | 0 | 0 | 110.9 | E194 | G132-E194 PolarHBondContact N-OE1 2.8Š|
| 133 | E | 84.3 | Confident | 91.2 | Very high | 197 Ų | 197 | 80 Ų | 80 | 92% | 0.921 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | 2.2 | 179 | -64.2 | 173.9 | -174.9 | 0 | 0 | 112.9 | I131 | I131-E133 PolarHBondContact O-N 3.03Å; I131-E133 VanDerWaalsContact O-N 3.16Å |
| 134 | Q | 89.1 | Confident | 92.5 | Very high | 129 Ų | 129 | 80 Ų | 80 | 60% | 0.603 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 135.3 | -175 | -65.5 | -171.1 | -15 | 0 | 0 | 111.5 | V130 I131 H136 | V130-Q134 WeakPolarHBondContact CA-O 3.11Å; I131-Q134 PolarHBondContact N-O 3.23Å; I131-Q134 PolarHBondContact O-N 3.4Å; I131-Q134 VanDerWaalsContact O-N 3.11Å; Q134-H136 PolarHBondContact O-CD2 3.14Å |
| 135 | E | 93.8 | Very high | 93.3 | Very high | 155 Ų | 155 | 78.2 Ų | 78.2 | 72% | 0.724 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 128.9 | 169 | -70 | -164.5 | 168.5 | 0 | 0 | 110.8 | V130 | V130-E135 HydrophobicContact CG2-CG 4.27Å |
| 136 | H | 94 | Very high | 93.6 | Very high | 40 Ų | 40 | 75.4 Ų | 75.4 | 19% | 0.185 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 155.5 | 173.2 | -63.8 | -83 | 0 | 0 | 0 | 110.8 | R128 V129 Q134 L187 | R128-H136 WeakPolarHBondContact CA-O 3.49Å; V129-H136 HydrophobicContact CG2-CB 3.93Å; V129-H136 PolarHBondContact N-O 3.04Å; V129-H136 PolarHBondContact O-N 3.48Å; V129-H136 VanDerWaalsContact O-O 3.12Å; Q134-H136 PolarHBondContact O-CD2 3.14Å; H136-L187 HydrophobicContact CB-CD1 4.23Å; H136-L187 HydrophobicContact CB-CD2 4.12Å |
| 137 | R | 96 | Very high | 93.6 | Very high | 142 Ų | 142 | 75.2 Ų | 75.2 | 54% | 0.536 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 130.9 | 171.8 | -68.5 | 175.9 | 63.4 | -176.5 | 0.2 | 108.7 | W126 R127 R128 | W126-R137 HydrophobicContact CE3-CB 3.94Å; W126-R137 VanDerWaalsContact CG-NH2 3.3Å; W126-R137 HydrophobicContact CZ3-CB 4.29Å; R127-R137 WeakPolarHBondContact O-CA 3.3Å; R128-R137 HydrophobicContact CG-CG 4.17Å |
| 138 | I | 96.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 127.3 | 178.9 | -45.1 | 170.6 | 0 | 0 | 0 | 108.8 | W126 R127 V129 M140 I143 N184 L187 | W126-I138 CarbonylContact C-O 3.45Å; W126-I138 WeakPolarHBondContact CA-O 3.37Å; R127-I138 PolarHBondContact N-O 3.18Å; R127-I138 PolarHBondContact O-N 2.78Å; V129-I138 HydrophobicContact CB-CD1 4.35Å; V129-I138 HydrophobicContact CG1-CD1 3.7Å; V129-I138 HydrophobicContact CG1-CG1 4.42Å; V129-I138 HydrophobicContact CG2-CD1 3.68Å; V129-I138 HydrophobicContact CG2-CG1 3.93Å; I138-M140 HydrophobicContact CB-CE 3.39Å; I138-M140 HydrophobicContact CD1-CE 4.32Å; I138-M140 HydrophobicContact CG1-CE 4.47Å; I138-M140 HydrophobicContact CG2-CE 3.09Å; I138-M140 PolarHBondContact O-N 2.96Å; I138-I143 HydrophobicContact CG2-CD1 4.2Å; I138-N184 WeakPolarHBondContact CA-OD1 3.37Å; I138-N184 HydrophobicContact CG2-CB 3.84Å; I138-N184 VanDerWaalsContact CG2-O 3.26Å; I138-N184 WeakPolarHBondContact CG2-O 3.45Å; I138-L187 HydrophobicContact CD1-CB 3.83Å; I138-L187 HydrophobicContact CG1-CB 3.7Å; I138-L187 HydrophobicContact CG1-CD1 4.36Å |
| 139 | D | 96.7 | Very high | 93.6 | Very high | 7 Ų | 7 | 70.2 Ų | 70.2 | 4% | 0.037 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 104.1 | 169.5 | -178 | 1.4 | 0 | 0 | 0 | 109.5 | W126 K141 C142 Y180 N184 | W126-D139 HydrophobicContact CD2-CB 4.49Å; W126-D139 HydrophobicContact CE3-CB 3.93Å; W126-D139 HydrophobicContact CH2-CB 4Å; W126-D139 HydrophobicContact CZ3-CB 3.66Å; D139-K141 PolarHBondContact O-N 3.3Å; D139-K141 VanDerWaalsContact OD1-CB 3.29Å; D139-K141 WeakPolarHBondContact OD1-CB 3.29Å; D139-K141 PolarHBondContact OD1-N 2.96Å; D139-C142 PolarHBondContact O-SG 2.99Å; D139-Y180 HydrophobicContact CB-CE1 4.47Å; D139-Y180 VanDerWaalsContact CB-OH 3.3Å; D139-Y180 WeakPolarHBondContact CB-OH 3.41Å; D139-Y180 PolarHBondContact OD2-OH 3.19Å; D139-N184 PolarHBondContact N-OD1 3.24Å |
| 140 | M | 95.8 | Very high | 93.8 | Very high | 31 Ų | 31 | 70.1 Ų | 70.1 | 15% | 0.153 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.4 | -24.3 | 179 | -62.9 | -67.1 | 85.1 | 0 | 0 | 113 | L125 R127 I138 I143 Q144 Y188 | L125-M140 HydrophobicContact CB-CB 3.99Å; L125-M140 WeakPolarHBondContact O-CB 3.15Å; L125-M140 WeakPolarHBondContact O-CG 3.3Å; L125-M140 PolarHBondContact O-N 3.03Å; R127-M140 HydrophobicContact CB-CE 4.29Å; R127-M140 HydrophobicContact CB-CG 3.7Å; R127-M140 HydrophobicContact CB-SD 4.01Å; I138-M140 HydrophobicContact CB-CE 3.39Å; I138-M140 HydrophobicContact CD1-CE 4.32Å; I138-M140 HydrophobicContact CG1-CE 4.47Å; I138-M140 HydrophobicContact CG2-CE 3.09Å; I138-M140 PolarHBondContact O-N 2.96Å; M140-I143 HydrophobicContact CE-CD1 3.39Å; M140-I143 HydrophobicContact CE-CG1 3.96Å; M140-I143 HydrophobicContact SD-CD1 4.26Å; M140-Q144 WeakPolarHBondContact O-CB 3.28Å; M140-Q144 PolarHBondContact O-N 2.65Å; M140-Y188 HydrophobicContact CE-CD2 4.33Å; M140-Y188 HydrophobicContact SD-CD2 4.43Å |
| 141 | K | 95 | Very high | 94 | Very high | 102 Ų | 102 | 67.8 Ų | 67.8 | 44% | 0.443 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69.5 | -45.4 | -178.2 | -175.1 | 171.9 | 175.1 | -179.6 | 0 | 110.6 | D123 L125 D139 I143 Q144 | D123-K141 WeakPolarHBondContact O-CD 2.75Å; D123-K141 PolarHBondContact O-NZ 2.92Å; D123-K141 IonicContact OD2-NZ 2.83Å; L125-K141 HydrophobicContact CB-CB 4.32Å; L125-K141 HydrophobicContact CD1-CB 4.37Å; L125-K141 HydrophobicContact CG-CB 4.37Å; D139-K141 PolarHBondContact O-N 3.3Å; D139-K141 VanDerWaalsContact OD1-CB 3.29Å; D139-K141 WeakPolarHBondContact OD1-CB 3.29Å; D139-K141 PolarHBondContact OD1-N 2.96Å; K141-I143 VanDerWaalsContact C-N 3.33Å; K141-I143 PolarHBondContact O-N 2.84Å; K141-Q144 PolarHBondContact O-N 2.82Å |
| 142 | C | 95.4 | Very high | 94.3 | Very high | 28 Ų | 28 | 70.8 Ų | 70.8 | 19% | 0.189 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -70 | -29.2 | -176.3 | 78.4 | 0 | 0 | 0 | 0 | 113.2 | D139 Y180 V181 | D139-C142 PolarHBondContact O-SG 2.99Å; C142-Y180 HydrophobicContact CB-CE1 4.05Å; C142-V181 HydrophobicContact CB-CG2 4.49Å |
| 143 | I | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -93.5 | -8.5 | -178.6 | 69.2 | 162.4 | 0 | 0 | 0 | 114.5 | I138 M140 K141 P145 Y146 K147 N184 L185 Y188 | I138-I143 HydrophobicContact CG2-CD1 4.2Å; M140-I143 HydrophobicContact CE-CD1 3.39Å; M140-I143 HydrophobicContact CE-CG1 3.96Å; M140-I143 HydrophobicContact SD-CD1 4.26Å; K141-I143 VanDerWaalsContact C-N 3.33Å; K141-I143 PolarHBondContact O-N 2.84Å; I143-P145 VanDerWaalsContact C-N 3.3Å; I143-P145 VanDerWaalsContact O-N 3.16Å; I143-Y146 WeakPolarHBondContact O-CA 3.29Å; I143-Y146 PolarHBondContact O-N 3.29Å; I143-K147 HydrophobicContact CD1-CG 4.46Å; I143-K147 HydrophobicContact CG1-CG 4.48Å; I143-K147 PolarHBondContact O-N 2.83Å; I143-N184 HydrophobicContact CG2-CB 3.52Å; I143-L185 HydrophobicContact CB-CD1 4.29Å; I143-L185 HydrophobicContact CG2-CB 4.04Å; I143-Y188 HydrophobicContact CD1-CD1 4.05Å; I143-Y188 HydrophobicContact CD1-CD2 3.67Å; I143-Y188 HydrophobicContact CD1-CE2 4.47Å; I143-Y188 HydrophobicContact CD1-CG 3.41Å; I143-Y188 VanDerWaalsContact CD1-CG 3.41Å |
| 144 | Q | 95.6 | Very high | 95.1 | Very high | 134 Ų | 134 | 60.2 Ų | 60.2 | 63% | 0.626 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -49.2 | -42.2 | -173.9 | -168.4 | -93.4 | 9.4 | 0 | 0 | 113.7 | M140 K141 Y146 | M140-Q144 WeakPolarHBondContact O-CB 3.28Å; M140-Q144 PolarHBondContact O-N 2.65Å; K141-Q144 PolarHBondContact O-N 2.82Å; Q144-Y146 PolarHBondContact O-N 2.9Å |
| 145 | P | 96.1 | Very high | 95.3 | Very high | 83 Ų | 83 | 60.8 Ų | 60.8 | 54% | 0.539 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -66.3 | -21.7 | 178 | -22 | 35.1 | 0 | 0 | 0 | 114.3 | I143 | I143-P145 VanDerWaalsContact C-N 3.3Å; I143-P145 VanDerWaalsContact O-N 3.16Å |
| 146 | Y | 96.6 | Very high | 95 | Very high | 50 Ų | 50 | 57.9 Ų | 57.9 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -107.8 | -0.2 | -169.7 | -48.9 | -68.8 | 0 | 0 | 0 | 113.4 | I143 Q144 K148 V149 F169 P171 V181 | I143-Y146 WeakPolarHBondContact O-CA 3.29Å; I143-Y146 PolarHBondContact O-N 3.29Å; Q144-Y146 PolarHBondContact O-N 2.9Å; Y146-K148 PolarHBondContact O-N 2.95Å; Y146-V149 VanDerWaalsContact O-CB 3.29Å; Y146-V149 WeakPolarHBondContact O-CB 3.24Å; Y146-V149 WeakPolarHBondContact O-CG1 3.15Å; Y146-V149 PolarHBondContact O-N 2.97Å; Y146-F169 WeakPolarHBondContact CD1-O 3.36Å; Y146-P171 HydrophobicContact CD1-CB 4.4Å; Y146-P171 HydrophobicContact CD1-CG 3.92Å; Y146-P171 HydrophobicContact CD2-CG 3.89Å; Y146-P171 HydrophobicContact CE1-CB 3.99Å; Y146-P171 HydrophobicContact CE1-CG 3.99Å; Y146-P171 HydrophobicContact CE2-CB 4.3Å; Y146-P171 HydrophobicContact CE2-CG 3.97Å; Y146-P171 HydrophobicContact CG-CG 3.86Å; Y146-V181 HydrophobicContact CD2-CG1 3.75Å; Y146-V181 HydrophobicContact CE2-CG1 3.56Å |
| 147 | K | 95.4 | Very high | 94.6 | Very high | 85 Ų | 85 | 59.3 Ų | 59.3 | 37% | 0.37 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -57.2 | -24 | -178.5 | -69.4 | -178.1 | 69.5 | 176.1 | 0 | 113.9 | I143 V149 Y188 | I143-K147 HydrophobicContact CD1-CG 4.46Å; I143-K147 HydrophobicContact CG1-CG 4.48Å; I143-K147 PolarHBondContact O-N 2.83Å; K147-V149 PolarHBondContact O-N 2.76Å; K147-Y188 HydrophobicContact CB-CE1 4.26Å; K147-Y188 WeakPolarHBondContact CE-OH 3.24Å; K147-Y188 HydrophobicContact CG-CE1 4.2Å |
| 148 | K | 95.5 | Very high | 93.8 | Very high | 152 Ų | 152 | 61.3 Ų | 61.3 | 66% | 0.661 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -67.1 | -8.5 | 175.2 | -64.8 | -176.6 | -179.8 | 179.5 | 0 | 113.9 | Y146 I150 F169 | Y146-K148 PolarHBondContact O-N 2.95Å; K148-I150 PolarHBondContact O-N 3.01Å; K148-F169 HydrophobicContact CB-CD2 3.84Å; K148-F169 HydrophobicContact CB-CE2 4.11Å; K148-F169 HydrophobicContact CB-CG 4.13Å; K148-F169 WeakPolarHBondContact O-CD2 3.36Å |
| 149 | V | 96.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -59.9 | -26.1 | 176.2 | 76.5 | 0 | 0 | 0 | 0 | 112.4 | Y146 K147 F165 A166 F169 L170 L185 V189 | Y146-V149 VanDerWaalsContact O-CB 3.29Å; Y146-V149 WeakPolarHBondContact O-CB 3.24Å; Y146-V149 WeakPolarHBondContact O-CG1 3.15Å; Y146-V149 PolarHBondContact O-N 2.97Å; K147-V149 PolarHBondContact O-N 2.76Å; V149-F165 HydrophobicContact CG1-CE2 4.3Å; V149-F165 HydrophobicContact CG2-CD1 4.49Å; V149-F165 HydrophobicContact CG2-CD2 4.11Å; V149-F165 HydrophobicContact CG2-CE1 3.97Å; V149-F165 HydrophobicContact CG2-CE2 3.54Å; V149-F165 HydrophobicContact CG2-CZ 3.49Å; V149-F165 VanDerWaalsContact CG2-CZ 3.49Å; V149-F165 CarbonylContact O-C 3.58Å; V149-F165 VanDerWaalsContact O-CA 3.25Å; V149-F165 WeakPolarHBondContact O-CA 3.28Å; V149-A166 PolarHBondContact O-N 3.33Å; V149-F169 HydrophobicContact CB-CB 4.32Å; V149-L170 HydrophobicContact CG2-CD2 3.89Å; V149-L170 HydrophobicContact CG2-CG 3.89Å; V149-L185 HydrophobicContact CG1-CD1 3.83Å; V149-L185 HydrophobicContact CG1-CD2 4.32Å; V149-L185 HydrophobicContact CG1-CG 4.25Å; V149-V189 HydrophobicContact CG1-CG2 3.88Å |
| 150 | I | 96.3 | Very high | 92.7 | Very high | 13 Ų | 13 | 69.7 Ų | 69.7 | 7% | 0.067 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 136.8 | 178.3 | -174 | 162.8 | 0 | 0 | 0 | 110.4 | K148 I163 V164 Y188 V189 T192 L193 | K148-I150 PolarHBondContact O-N 3.01Å; I150-I163 HydrophobicContact CD1-CG2 3.76Å; I150-I163 HydrophobicContact CG1-CG2 3.82Å; I150-V164 CarbonylContact C-O 3.57Å; I150-V164 WeakPolarHBondContact CA-O 3.45Å; I150-Y188 HydrophobicContact CG2-CD1 4.31Å; I150-Y188 HydrophobicContact CG2-CE1 3.64Å; I150-V189 HydrophobicContact CB-CG2 4.49Å; I150-V189 HydrophobicContact CD1-CG1 4.1Å; I150-V189 HydrophobicContact CG2-CG2 4.36Å; I150-T192 HydrophobicContact CD1-CG2 4.01Å; I150-T192 HydrophobicContact CG1-CG2 4.4Å; I150-T192 HydrophobicContact CG2-CG2 4.18Å; I150-L193 HydrophobicContact CD1-CD2 4.05Å; I150-L193 HydrophobicContact CD1-CG 4.24Å |
| 151 | S | 95.5 | Very high | 92.6 | Very high | 35 Ų | 35 | 68.6 Ų | 68.6 | 25% | 0.245 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 156.8 | 175.5 | 57.7 | 0 | 0 | 0 | 0 | 111.8 | V164 | S151-V164 PolarHBondContact N-O 3.16Å; S151-V164 PolarHBondContact O-N 3.13Å |
| 152 | H | 94.4 | Very high | 92.6 | Very high | 71 Ų | 71 | 63.7 Ų | 63.7 | 33% | 0.329 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 128.1 | 171 | -172.2 | -98.6 | 0 | 0 | 0 | 110.1 | G154 Y155 M196 | H152-G154 VanDerWaalsContact CE1-CA 3.43Å; H152-G154 WeakPolarHBondContact CE1-CA 3.47Å; H152-G154 PolarHBondContact CE1-N 3.22Å; H152-G154 PolarHBondContact CE1-O 2.68Å; H152-G154 VanDerWaalsContact CE1-O 3.26Å; H152-G154 PolarHBondContact ND1-N 2.8Å; H152-G154 PolarHBondContact NE2-O 3.21Å; H152-Y155 AromaticContact CE1-CD2 3.9Å; H152-Y155 AromaticContact CE1-CE2 3.51Å; H152-Y155 AromaticContact CE1-CZ 3.82Å; H152-Y155 AromaticContact NE2-CE2 3.9Å; H152-Y155 AromaticContact NE2-CZ 3.72Å; H152-M196 HydrophobicContact CB-SD 4.09Å |
| 153 | G | 94.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 12.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | I162 | G153-I162 PolarHBondContact N-O 2.84Å |
| 154 | G | 92.6 | Very high | 92.7 | Very high | 6 Ų | 6 | 62.5 Ų | 62.5 | 6% | 0.062 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 94 | -160.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | H152 I162 | H152-G154 VanDerWaalsContact CE1-CA 3.43Å; H152-G154 WeakPolarHBondContact CE1-CA 3.47Å; H152-G154 PolarHBondContact CE1-N 3.22Å; H152-G154 PolarHBondContact CE1-O 2.68Å; H152-G154 VanDerWaalsContact CE1-O 3.26Å; H152-G154 PolarHBondContact ND1-N 2.8Å; H152-G154 PolarHBondContact NE2-O 3.21Å; G154-I162 PolarHBondContact O-N 3.45Å |
| 155 | Y | 91.3 | Very high | 92.8 | Very high | 141 Ų | 141 | 57.8 Ų | 57.8 | 55% | 0.553 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 137.1 | -177.6 | -65.7 | -89.3 | 0 | 0 | 0 | 110.6 | H152 N160 A161 P281 | H152-Y155 AromaticContact CE1-CD2 3.9Å; H152-Y155 AromaticContact CE1-CE2 3.51Å; H152-Y155 AromaticContact CE1-CZ 3.82Å; H152-Y155 AromaticContact NE2-CE2 3.9Å; H152-Y155 AromaticContact NE2-CZ 3.72Å; Y155-N160 CarbonylContact C-O 3.52Å; Y155-N160 WeakPolarHBondContact CA-O 3.5Å; Y155-A161 HydrophobicContact CD1-CB 4.35Å; Y155-A161 HydrophobicContact CE1-CB 4.15Å; Y155-P281 WeakPolarHBondContact O-CG 3.48Å |
| 156 | Y | 88.1 | Confident | 92.8 | Very high | 94 Ų | 94 | 54 Ų | 54 | 37% | 0.369 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 130.6 | 169.2 | -179.6 | -90.3 | 0 | 0 | 0 | 110 | E158 K159 N160 M202 I279 I280 | Y156-E158 PolarHBondContact O-N 3.4Å; Y156-E158 VanDerWaalsContact O-N 3.09Å; Y156-K159 PolarHBondContact O-N 2.92Å; Y156-K159 VanDerWaalsContact O-N 3.14Å; Y156-N160 PolarHBondContact N-O 2.78Å; Y156-N160 PolarHBondContact O-N 3.24Å; Y156-M202 HydrophobicContact CD1-SD 4.17Å; Y156-M202 HydrophobicContact CD2-SD 4.33Å; Y156-M202 HydrophobicContact CG-SD 3.87Å; Y156-I279 WeakPolarHBondContact CE2-O 2.95Å; Y156-I280 HydrophobicContact CD2-CB 4.48Å; Y156-I280 HydrophobicContact CD2-CG2 4.17Å |
| 157 | A | 85.8 | Confident | 92.8 | Very high | 70 Ų | 70 | 51.6 Ų | 51.6 | 58% | 0.579 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49 | 34 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | K159 | A157-K159 PolarHBondContact O-N 2.86Š|
| 158 | E | 78.5 | Confident | 92.7 | Very high | 184 Ų | 184 | 48 Ų | 48 | 86% | 0.86 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 10.9 | -179.3 | -57.2 | -178.4 | 176.1 | 0 | 0 | 116 | Y156 | Y156-E158 PolarHBondContact O-N 3.4Å; Y156-E158 VanDerWaalsContact O-N 3.09Å |
| 159 | K | 83.5 | Confident | 92.7 | Very high | 154 Ų | 154 | 43.7 Ų | 43.7 | 67% | 0.67 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -127.1 | -43.3 | -175.2 | -66.4 | -177.8 | -177.7 | -174.8 | 0 | 113.3 | Y156 A157 | Y156-K159 PolarHBondContact O-N 2.92Å; Y156-K159 VanDerWaalsContact O-N 3.14Å; A157-K159 PolarHBondContact O-N 2.86Å |
| 160 | N | 88.8 | Confident | 92.7 | Very high | 29 Ų | 29 | 44 Ų | 44 | 16% | 0.155 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 118.8 | -171 | -53.5 | -43.3 | 0 | 0 | 0 | 110.2 | Y155 Y156 I162 D200 | Y155-N160 CarbonylContact C-O 3.52Å; Y155-N160 WeakPolarHBondContact CA-O 3.5Å; Y156-N160 PolarHBondContact N-O 2.78Å; Y156-N160 PolarHBondContact O-N 3.24Å; N160-I162 PolarHBondContact O-N 3.11Å; N160-D200 VanDerWaalsContact CA-O 3.3Å; N160-D200 WeakPolarHBondContact CA-O 3.34Å; N160-D200 VanDerWaalsContact OD1-CB 3.3Å; N160-D200 WeakPolarHBondContact OD1-CB 3.44Å |
| 161 | A | 92.9 | Very high | 92.6 | Very high | 7 Ų | 7 | 43.4 Ų | 43.4 | 6% | 0.058 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 137.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y155 Y201 M202 | Y155-A161 HydrophobicContact CD1-CB 4.35Å; Y155-A161 HydrophobicContact CE1-CB 4.15Å; A161-Y201 CarbonylContact O-C 3.55Å; A161-Y201 WeakPolarHBondContact O-CA 3.36Å; A161-Y201 WeakPolarHBondContact O-CB 3.44Å; A161-M202 PolarHBondContact O-N 3.39Å |
| 162 | I | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 119.7 | 172.1 | -59.2 | 167.7 | 0 | 0 | 0 | 107.3 | G153 G154 N160 V164 V204 I280 P281 | G153-I162 PolarHBondContact N-O 2.84Å; G154-I162 PolarHBondContact O-N 3.45Å; N160-I162 PolarHBondContact O-N 3.11Å; I162-V164 HydrophobicContact CG2-CG2 4.38Å; I162-V204 HydrophobicContact CG2-CG2 3.89Å; I162-I280 HydrophobicContact CD1-CB 4.07Å; I162-I280 HydrophobicContact CD1-CD1 4.34Å; I162-I280 HydrophobicContact CD1-CG2 4.39Å; I162-I280 HydrophobicContact CG2-CD1 4.01Å; I162-P281 HydrophobicContact CD1-CG 3.88Å |
| 163 | I | 96.2 | Very high | 92.4 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 121.5 | 179.1 | -53 | -178.4 | 0 | 0 | 0 | 108.3 | I150 L193 M196 V197 Y201 M202 I203 V204 | I150-I163 HydrophobicContact CD1-CG2 3.76Å; I150-I163 HydrophobicContact CG1-CG2 3.82Å; I163-L193 HydrophobicContact CB-CD2 4.33Å; I163-L193 HydrophobicContact CD1-CD2 3.4Å; I163-L193 HydrophobicContact CG1-CD2 4.42Å; I163-L193 HydrophobicContact CG2-CD2 3.75Å; I163-M196 HydrophobicContact CD1-CB 4.09Å; I163-M196 HydrophobicContact CG1-SD 4.48Å; I163-V197 HydrophobicContact CD1-CG2 3.76Å; I163-Y201 HydrophobicContact CD1-CD2 3.62Å; I163-Y201 HydrophobicContact CD1-CE2 4.04Å; I163-Y201 HydrophobicContact CD1-CG 4.43Å; I163-Y201 HydrophobicContact CG1-CD2 4.21Å; I163-M202 PolarHBondContact N-O 3.11Å; I163-I203 HydrophobicContact CB-CG1 4.4Å; I163-I203 CarbonylContact O-C 3.55Å; I163-I203 VanDerWaalsContact O-CA 3.26Å; I163-I203 WeakPolarHBondContact O-CA 3.28Å; I163-V204 PolarHBondContact O-N 2.78Å |
| 164 | V | 97.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123 | -177.2 | -175.4 | 0 | 0 | 0 | 0 | 108.6 | I150 S151 I162 V204 L206 V285 | I150-V164 CarbonylContact C-O 3.57Å; I150-V164 WeakPolarHBondContact CA-O 3.45Å; S151-V164 PolarHBondContact N-O 3.16Å; S151-V164 PolarHBondContact O-N 3.13Å; I162-V164 HydrophobicContact CG2-CG2 4.38Å; V164-V204 CarbonylContact C-O 3.6Å; V164-V204 WeakPolarHBondContact CA-O 3.21Å; V164-V204 HydrophobicContact CG2-CB 4.44Å; V164-L206 HydrophobicContact CG1-CD1 3.53Å; V164-L206 HydrophobicContact CG1-CG 3.92Å; V164-V285 HydrophobicContact CG2-CG1 3.97Å |
| 165 | F | 97.4 | Very high | 92.3 | Very high | 35 Ų | 35 | 49.6 Ų | 49.6 | 15% | 0.154 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 109.2 | 171 | -172.7 | -86.9 | 0 | 0 | 0 | 109.8 | V149 A167 L170 V189 V204 Y205 L206 | V149-F165 HydrophobicContact CG1-CE2 4.3Å; V149-F165 HydrophobicContact CG2-CD1 4.49Å; V149-F165 HydrophobicContact CG2-CD2 4.11Å; V149-F165 HydrophobicContact CG2-CE1 3.97Å; V149-F165 HydrophobicContact CG2-CE2 3.54Å; V149-F165 HydrophobicContact CG2-CZ 3.49Å; V149-F165 VanDerWaalsContact CG2-CZ 3.49Å; V149-F165 CarbonylContact O-C 3.58Å; V149-F165 VanDerWaalsContact O-CA 3.25Å; V149-F165 WeakPolarHBondContact O-CA 3.28Å; F165-A167 HydrophobicContact CD1-CB 4.44Å; F165-A167 HydrophobicContact CE1-CB 4.18Å; F165-L170 HydrophobicContact CE1-CD1 4.01Å; F165-L170 HydrophobicContact CE1-CG 4.47Å; F165-L170 HydrophobicContact CZ-CD1 4.07Å; F165-L170 HydrophobicContact CZ-CD2 4.05Å; F165-L170 HydrophobicContact CZ-CG 4.25Å; F165-V189 HydrophobicContact CD2-CG1 4.44Å; F165-V189 HydrophobicContact CE2-CG1 4.35Å; F165-V189 HydrophobicContact CE2-CG2 4.09Å; F165-V204 PolarHBondContact N-O 2.84Å; F165-Y205 HydrophobicContact CB-CD2 4.21Å; F165-Y205 AromaticContact CD1-CD2 3.31Å; F165-Y205 HydrophobicContact CD1-CD2 3.31Å; F165-Y205 AromaticContact CD1-CE2 3.24Å; F165-Y205 HydrophobicContact CD1-CE2 3.24Å; F165-Y205 HydrophobicContact CD1-CG 4.4Å; F165-Y205 AromaticContact CE1-CD2 3.97Å; F165-Y205 HydrophobicContact CE1-CD2 3.97Å; F165-Y205 AromaticContact CE1-CE2 3.39Å; F165-Y205 HydrophobicContact CE1-CE2 3.39Å; F165-Y205 HydrophobicContact CG-CD2 4.05Å; F165-Y205 HydrophobicContact CG-CE2 4.32Å; F165-L206 PolarHBondContact O-N 3.46Å |
| 166 | A | 96.8 | Very high | 92.3 | Very high | 3 Ų | 3 | 51.1 Ų | 51.1 | 3% | 0.025 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 94.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V149 C168 F169 L206 P288 | V149-A166 PolarHBondContact O-N 3.33Å; A166-C168 PolarHBondContact O-N 2.93Å; A166-C168 VanDerWaalsContact O-N 3.09Å; A166-F169 HydrophobicContact CB-CD2 3.61Å; A166-F169 HydrophobicContact CB-CE2 3.9Å; A166-F169 PolarHBondContact O-N 2.77Å; A166-L206 HydrophobicContact CB-CD1 4.49Å; A166-P288 HydrophobicContact CB-CG 3.89Å |
| 167 | A | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -62 | -22.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | F165 F169 L170 Y205 L206 T210 M215 | F165-A167 HydrophobicContact CD1-CB 4.44Å; F165-A167 HydrophobicContact CE1-CB 4.18Å; A167-F169 PolarHBondContact O-N 2.95Å; A167-F169 VanDerWaalsContact O-N 3.17Å; A167-L170 HydrophobicContact CB-CD1 4.23Å; A167-L170 WeakPolarHBondContact O-CB 3.26Å; A167-L170 PolarHBondContact O-N 3.07Å; A167-Y205 HydrophobicContact CB-CE1 4.16Å; A167-Y205 HydrophobicContact CB-CE2 4.25Å; A167-Y205 WeakPolarHBondContact CB-OH 3.33Å; A167-L206 WeakPolarHBondContact CB-O 3.3Å; A167-L206 PolarHBondContact N-O 3.03Å; A167-T210 VanDerWaalsContact C-OG1 3.29Å; A167-T210 HydrophobicContact CB-CG2 4Å; A167-T210 WeakPolarHBondContact CB-OG1 3.3Å; A167-T210 WeakPolarHBondContact O-CG2 3.47Å; A167-M215 HydrophobicContact CB-CE 4.09Å |
| 168 | C | 94 | Very high | 92.9 | Very high | 11 Ų | 11 | 50.8 Ų | 50.8 | 7% | 0.074 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -63.6 | -20.1 | 176.5 | 63.1 | 0 | 0 | 0 | 0 | 113.3 | A166 T210 R214 | A166-C168 PolarHBondContact O-N 2.93Å; A166-C168 VanDerWaalsContact O-N 3.09Å; C168-T210 PolarHBondContact N-OG1 3.33Å; C168-T210 VanDerWaalsContact N-OG1 3.14Å; C168-R214 PolarHBondContact O-NH1 3.21Å |
| 169 | F | 95.6 | Very high | 93.6 | Very high | 61 Ų | 61 | 47.1 Ų | 47.1 | 27% | 0.268 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -90.9 | 4.9 | 176.3 | -59.8 | -50.7 | 0 | 0 | 0 | 114.1 | Y146 K148 V149 A166 A167 P288 | Y146-F169 WeakPolarHBondContact CD1-O 3.36Å; K148-F169 HydrophobicContact CB-CD2 3.84Å; K148-F169 HydrophobicContact CB-CE2 4.11Å; K148-F169 HydrophobicContact CB-CG 4.13Å; K148-F169 WeakPolarHBondContact O-CD2 3.36Å; V149-F169 HydrophobicContact CB-CB 4.32Å; A166-F169 HydrophobicContact CB-CD2 3.61Å; A166-F169 HydrophobicContact CB-CE2 3.9Å; A166-F169 PolarHBondContact O-N 2.77Å; A167-F169 PolarHBondContact O-N 2.95Å; A167-F169 VanDerWaalsContact O-N 3.17Å; F169-P288 HydrophobicContact CE2-CB 4.19Å; F169-P288 HydrophobicContact CE2-CG 3.68Å; F169-P288 HydrophobicContact CZ-CB 3.87Å; F169-P288 HydrophobicContact CZ-CG 3.9Å |
| 170 | L | 95.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 4% | 0.037 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -66.3 | 151.5 | 173.9 | -77.3 | 165.4 | 0 | 0 | 0 | 112 | V149 F165 A167 M182 L185 R214 M215 | V149-L170 HydrophobicContact CG2-CD2 3.89Å; V149-L170 HydrophobicContact CG2-CG 3.89Å; F165-L170 HydrophobicContact CE1-CD1 4.01Å; F165-L170 HydrophobicContact CE1-CG 4.47Å; F165-L170 HydrophobicContact CZ-CD1 4.07Å; F165-L170 HydrophobicContact CZ-CD2 4.05Å; F165-L170 HydrophobicContact CZ-CG 4.25Å; A167-L170 HydrophobicContact CB-CD1 4.23Å; A167-L170 WeakPolarHBondContact O-CB 3.26Å; A167-L170 PolarHBondContact O-N 3.07Å; L170-M182 HydrophobicContact CD2-CE 4.19Å; L170-M182 HydrophobicContact CD2-SD 4.07Å; L170-L185 HydrophobicContact CD2-CD2 3.81Å; L170-R214 HydrophobicContact CB-CB 4.13Å; L170-R214 WeakPolarHBondContact O-CD 3.19Å; L170-R214 PolarHBondContact O-NH1 2.97Å; L170-M215 HydrophobicContact CD1-CE 3.06Å; L170-M215 HydrophobicContact CG-CE 4.44Å |
| 171 | P | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -52.7 | 145.3 | 171.8 | -23.3 | 31.2 | 0 | 0 | 0 | 111.9 | Y146 Y178 V181 M182 L185 R214 | Y146-P171 HydrophobicContact CD1-CB 4.4Å; Y146-P171 HydrophobicContact CD1-CG 3.92Å; Y146-P171 HydrophobicContact CD2-CG 3.89Å; Y146-P171 HydrophobicContact CE1-CB 3.99Å; Y146-P171 HydrophobicContact CE1-CG 3.99Å; Y146-P171 HydrophobicContact CE2-CB 4.3Å; Y146-P171 HydrophobicContact CE2-CG 3.97Å; Y146-P171 HydrophobicContact CG-CG 3.86Å; P171-Y178 HydrophobicContact CB-CD2 4.01Å; P171-Y178 HydrophobicContact CB-CE2 4Å; P171-V181 HydrophobicContact CB-CG1 4.31Å; P171-V181 HydrophobicContact CG-CG1 3.71Å; P171-M182 HydrophobicContact CB-SD 4.36Å; P171-M182 HydrophobicContact CG-CG 4.4Å; P171-M182 HydrophobicContact CG-SD 3.8Å; P171-L185 HydrophobicContact CG-CD2 3.99Å; P171-R214 VanDerWaalsContact O-CA 3.31Å; P171-R214 WeakPolarHBondContact O-CA 3.11Å; P171-R214 WeakPolarHBondContact O-CB 2.89Å |
| 172 | D | 93.8 | Very high | 94.7 | Very high | 24 Ų | 24 | 42.4 Ų | 42.4 | 13% | 0.128 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -82.2 | 144.5 | 170 | -142.7 | -49.8 | 0 | 0 | 0 | 109.5 | D174 C175 Y178 R213 R214 | D172-D174 PolarHBondContact O-N 3.3Å; D172-C175 WeakPolarHBondContact O-CB 3.41Å; D172-C175 PolarHBondContact O-N 3.12Å; D172-C175 PolarHBondContact O-SG 3.05Å; D172-Y178 WeakPolarHBondContact O-CD2 3.1Å; D172-R213 WeakPolarHBondContact OD1-CD 3.39Å; D172-R213 WeakPolarHBondContact OD1-CG 3.12Å; D172-R213 IonicContact OD1-NE 3.15Å; D172-R213 PolarHBondContact OD1-NE 3.13Å; D172-R213 IonicContact OD2-CZ 3.13Å; D172-R213 IonicContact OD2-NE 3.42Å; D172-R213 PolarHBondContact OD2-NE 3.48Å; D172-R213 IonicContact OD2-NH2 3.59Å; D172-R213 PolarHBondContact OD2-NH2 3.06Å; D172-R213 VanDerWaalsContact OD2-NH2 3.11Å; D172-R214 IonicContact OD2-CZ 3.33Å; D172-R214 IonicContact OD2-NE 3.29Å; D172-R214 PolarHBondContact OD2-NE 3.33Å; D172-R214 VanDerWaalsContact OD2-NE 3.15Å; D172-R214 IonicContact OD2-NH2 3.67Å; D172-R214 PolarHBondContact OD2-NH2 3.33Å; D172-R214 VanDerWaalsContact OD2-NH2 3.13Å |
| 173 | S | 92.4 | Very high | 94.7 | Very high | 53 Ų | 53 | 46.6 Ų | 46.6 | 37% | 0.371 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -20.7 | -178.5 | 56.3 | 0 | 0 | 0 | 0 | 113.2 | C175 R213 | S173-C175 PolarHBondContact O-N 2.89Å; S173-R213 VanDerWaalsContact CB-O 3.28Å; S173-R213 WeakPolarHBondContact CB-O 3.32Å; S173-R213 PolarHBondContact N-O 3.3Å; S173-R213 WeakPolarHBondContact OG-CB 3.31Å |
| 174 | D | 91.6 | Very high | 94.7 | Very high | 137 Ų | 137 | 46.9 Ų | 46.9 | 73% | 0.733 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -4.3 | 179.5 | -55.8 | -18.4 | 0 | 0 | 0 | 112.3 | D172 | D172-D174 PolarHBondContact O-N 3.3Š|
| 175 | C | 91.9 | Very high | 94.7 | Very high | 29 Ų | 29 | 47 Ų | 47 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -74 | 147.1 | 176.3 | 78.8 | 0 | 0 | 0 | 0 | 112.2 | D172 S173 N177 Y178 | D172-C175 WeakPolarHBondContact O-CB 3.41Å; D172-C175 PolarHBondContact O-N 3.12Å; D172-C175 PolarHBondContact O-SG 3.05Å; S173-C175 PolarHBondContact O-N 2.89Å; C175-N177 PolarHBondContact O-N 2.81Å; C175-Y178 PolarHBondContact O-N 2.92Å |
| 176 | E | 92.4 | Very high | 94.6 | Very high | 174 Ų | 174 | 46.3 Ų | 46.3 | 81% | 0.813 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | 135.5 | 175.3 | -65.9 | -177.8 | -175.8 | 0 | 0 | 110.8 | Y178 | E176-Y178 PolarHBondContact O-N 3.24Š|
| 177 | N | 92.8 | Very high | 94.5 | Very high | 121 Ų | 121 | 47.1 Ų | 47.1 | 65% | 0.647 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 38.9 | -179.7 | -56.8 | -40.4 | 0 | 0 | 0 | 113.6 | C175 N179 Y180 V181 | C175-N177 PolarHBondContact O-N 2.81Å; N177-N179 PolarHBondContact O-N 2.77Å; N177-Y180 WeakPolarHBondContact O-CA 3.29Å; N177-Y180 WeakPolarHBondContact O-CB 3.14Å; N177-Y180 PolarHBondContact O-N 3.26Å; N177-V181 PolarHBondContact O-N 3.41Å |
| 178 | Y | 93.8 | Very high | 94.6 | Very high | 35 Ų | 35 | 48.4 Ų | 48.4 | 14% | 0.137 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -41.8 | -47.2 | -179.1 | 172.8 | -100 | 0 | 0 | 0 | 114.4 | P171 D172 C175 E176 Y180 V181 M182 | P171-Y178 HydrophobicContact CB-CD2 4.01Å; P171-Y178 HydrophobicContact CB-CE2 4Å; D172-Y178 WeakPolarHBondContact O-CD2 3.1Å; C175-Y178 PolarHBondContact O-N 2.92Å; E176-Y178 PolarHBondContact O-N 3.24Å; Y178-Y180 PolarHBondContact O-N 3.16Å; Y178-V181 PolarHBondContact O-N 2.92Å; Y178-M182 HydrophobicContact CD1-CG 4.24Å; Y178-M182 HydrophobicContact CD2-CG 3.98Å; Y178-M182 HydrophobicContact CE1-CG 3.83Å; Y178-M182 HydrophobicContact CE2-CG 3.55Å; Y178-M182 HydrophobicContact CE2-SD 4.07Å; Y178-M182 HydrophobicContact CG-CG 4.32Å; Y178-M182 VanDerWaalsContact CZ-CG 3.47Å; Y178-M182 VanDerWaalsContact O-CB 3.31Å; Y178-M182 WeakPolarHBondContact O-CB 3.45Å; Y178-M182 VanDerWaalsContact O-CG 3.31Å; Y178-M182 WeakPolarHBondContact O-CG 3.41Å; Y178-M182 PolarHBondContact O-N 3.38Å |
| 179 | N | 93.4 | Very high | 94.6 | Very high | 107 Ų | 107 | 48.6 Ų | 48.6 | 57% | 0.572 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -61.7 | -44 | 179.7 | -69.2 | -40.4 | 0 | 0 | 0 | 112.2 | N177 M182 E183 | N177-N179 PolarHBondContact O-N 2.77Å; N179-M182 PolarHBondContact O-N 3.13Å; N179-E183 WeakPolarHBondContact O-CB 3.41Å; N179-E183 VanDerWaalsContact O-CG 3.27Å; N179-E183 WeakPolarHBondContact O-CG 3.49Å; N179-E183 PolarHBondContact O-N 3.35Å |
| 180 | Y | 95.3 | Very high | 94.6 | Very high | 75 Ų | 75 | 45.7 Ų | 45.7 | 29% | 0.294 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.2 | -45.2 | 177.1 | 176 | -98.7 | 0 | 0 | 0 | 111.4 | W126 D139 C142 N177 Y178 M182 E183 N184 | W126-Y180 VanDerWaalsContact CH2-OH 3.26Å; W126-Y180 WeakPolarHBondContact CH2-OH 3.32Å; D139-Y180 HydrophobicContact CB-CE1 4.47Å; D139-Y180 VanDerWaalsContact CB-OH 3.3Å; D139-Y180 WeakPolarHBondContact CB-OH 3.41Å; D139-Y180 PolarHBondContact OD2-OH 3.19Å; C142-Y180 HydrophobicContact CB-CE1 4.05Å; N177-Y180 WeakPolarHBondContact O-CA 3.29Å; N177-Y180 WeakPolarHBondContact O-CB 3.14Å; N177-Y180 PolarHBondContact O-N 3.26Å; Y178-Y180 PolarHBondContact O-N 3.16Å; Y180-M182 VanDerWaalsContact C-N 3.35Å; Y180-M182 PolarHBondContact O-N 3.15Å; Y180-E183 PolarHBondContact O-N 3.12Å; Y180-N184 WeakPolarHBondContact CE2-ND2 3.45Å; Y180-N184 PolarHBondContact O-N 3.45Å; Y180-N184 PolarHBondContact O-ND2 3.24Å |
| 181 | V | 96.3 | Very high | 94.5 | Very high | 12 Ų | 12 | 45.5 Ų | 45.5 | 7% | 0.073 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62 | -44.9 | 177 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | C142 Y146 P171 N177 Y178 N184 L185 | C142-V181 HydrophobicContact CB-CG2 4.49Å; Y146-V181 HydrophobicContact CD2-CG1 3.75Å; Y146-V181 HydrophobicContact CE2-CG1 3.56Å; P171-V181 HydrophobicContact CB-CG1 4.31Å; P171-V181 HydrophobicContact CG-CG1 3.71Å; N177-V181 PolarHBondContact O-N 3.41Å; Y178-V181 PolarHBondContact O-N 2.92Å; V181-N184 PolarHBondContact O-N 2.79Å; V181-L185 WeakPolarHBondContact O-CB 3.02Å; V181-L185 PolarHBondContact O-N 2.93Å |
| 182 | M | 95.4 | Very high | 94.4 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.025 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.6 | -39.9 | 178.7 | -79 | -65 | -67.8 | 0 | 0 | 113 | L170 P171 Y178 N179 Y180 L185 F186 P216 W220 | L170-M182 HydrophobicContact CD2-CE 4.19Å; L170-M182 HydrophobicContact CD2-SD 4.07Å; P171-M182 HydrophobicContact CB-SD 4.36Å; P171-M182 HydrophobicContact CG-CG 4.4Å; P171-M182 HydrophobicContact CG-SD 3.8Å; Y178-M182 HydrophobicContact CD1-CG 4.24Å; Y178-M182 HydrophobicContact CD2-CG 3.98Å; Y178-M182 HydrophobicContact CE1-CG 3.83Å; Y178-M182 HydrophobicContact CE2-CG 3.55Å; Y178-M182 HydrophobicContact CE2-SD 4.07Å; Y178-M182 HydrophobicContact CG-CG 4.32Å; Y178-M182 VanDerWaalsContact CZ-CG 3.47Å; Y178-M182 VanDerWaalsContact O-CB 3.31Å; Y178-M182 WeakPolarHBondContact O-CB 3.45Å; Y178-M182 VanDerWaalsContact O-CG 3.31Å; Y178-M182 WeakPolarHBondContact O-CG 3.41Å; Y178-M182 PolarHBondContact O-N 3.38Å; N179-M182 PolarHBondContact O-N 3.13Å; Y180-M182 VanDerWaalsContact C-N 3.35Å; Y180-M182 PolarHBondContact O-N 3.15Å; M182-L185 PolarHBondContact O-N 3.2Å; M182-F186 VanDerWaalsContact O-CB 3.24Å; M182-F186 WeakPolarHBondContact O-CB 3.46Å; M182-F186 PolarHBondContact O-N 3.09Å; M182-P216 HydrophobicContact CE-CB 4.04Å; M182-P216 HydrophobicContact CE-CG 3.95Å; M182-W220 HydrophobicContact CE-CH2 4.31Å; M182-W220 HydrophobicContact CE-CZ2 4.2Å |
| 183 | E | 95 | Very high | 94.2 | Very high | 88 Ų | 88 | 45.8 Ų | 45.8 | 41% | 0.411 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.9 | -48 | 176.1 | -76.2 | 171.6 | -177.8 | 0 | 0 | 111.2 | N179 Y180 L185 F186 L187 | N179-E183 WeakPolarHBondContact O-CB 3.41Å; N179-E183 VanDerWaalsContact O-CG 3.27Å; N179-E183 WeakPolarHBondContact O-CG 3.49Å; N179-E183 PolarHBondContact O-N 3.35Å; Y180-E183 PolarHBondContact O-N 3.12Å; E183-L185 VanDerWaalsContact C-N 3.35Å; E183-L185 PolarHBondContact O-N 3.23Å; E183-F186 PolarHBondContact O-N 2.79Å; E183-L187 WeakPolarHBondContact O-CG 3.47Å; E183-L187 PolarHBondContact O-N 2.74Å |
| 184 | N | 96.7 | Very high | 94.1 | Very high | 8 Ų | 8 | 44.7 Ų | 44.7 | 4% | 0.043 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63 | -41.1 | 175.4 | -77.1 | -83.4 | 0 | 0 | 0 | 111.9 | I138 D139 I143 Y180 V181 F186 L187 Y188 | I138-N184 WeakPolarHBondContact CA-OD1 3.37Å; I138-N184 HydrophobicContact CG2-CB 3.84Å; I138-N184 VanDerWaalsContact CG2-O 3.26Å; I138-N184 WeakPolarHBondContact CG2-O 3.45Å; D139-N184 PolarHBondContact N-OD1 3.24Å; I143-N184 HydrophobicContact CG2-CB 3.52Å; Y180-N184 WeakPolarHBondContact CE2-ND2 3.45Å; Y180-N184 PolarHBondContact O-N 3.45Å; Y180-N184 PolarHBondContact O-ND2 3.24Å; V181-N184 PolarHBondContact O-N 2.79Å; N184-F186 VanDerWaalsContact C-N 3.28Å; N184-F186 PolarHBondContact O-N 3.02Å; N184-L187 PolarHBondContact O-N 3.06Å; N184-Y188 WeakPolarHBondContact O-CB 3.33Å; N184-Y188 PolarHBondContact O-N 3.09Å |
| 185 | L | 96.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.5 | -36.5 | 179 | -176.2 | 60.9 | 0 | 0 | 0 | 111.1 | I143 V149 L170 P171 V181 M182 E183 Y188 V189 | I143-L185 HydrophobicContact CB-CD1 4.29Å; I143-L185 HydrophobicContact CG2-CB 4.04Å; V149-L185 HydrophobicContact CG1-CD1 3.83Å; V149-L185 HydrophobicContact CG1-CD2 4.32Å; V149-L185 HydrophobicContact CG1-CG 4.25Å; L170-L185 HydrophobicContact CD2-CD2 3.81Å; P171-L185 HydrophobicContact CG-CD2 3.99Å; V181-L185 WeakPolarHBondContact O-CB 3.02Å; V181-L185 PolarHBondContact O-N 2.93Å; M182-L185 PolarHBondContact O-N 3.2Å; E183-L185 VanDerWaalsContact C-N 3.35Å; E183-L185 PolarHBondContact O-N 3.23Å; L185-Y188 HydrophobicContact CD1-CD1 4.19Å; L185-Y188 WeakPolarHBondContact O-CB 3.43Å; L185-Y188 PolarHBondContact O-N 2.8Å; L185-V189 VanDerWaalsContact O-CG2 3.28Å; L185-V189 WeakPolarHBondContact O-CG2 3.48Å; L185-V189 PolarHBondContact O-N 3.5Å |
| 186 | F | 95.5 | Very high | 93.4 | Very high | 20 Ų | 20 | 45.5 Ų | 45.5 | 9% | 0.088 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.2 | -44.9 | 176.9 | 177.3 | -120.3 | 0 | 0 | 0 | 112.9 | M182 E183 N184 Y188 V189 I190 W220 C224 M227 I228 | M182-F186 VanDerWaalsContact O-CB 3.24Å; M182-F186 WeakPolarHBondContact O-CB 3.46Å; M182-F186 PolarHBondContact O-N 3.09Å; E183-F186 PolarHBondContact O-N 2.79Å; N184-F186 VanDerWaalsContact C-N 3.28Å; N184-F186 PolarHBondContact O-N 3.02Å; F186-Y188 PolarHBondContact O-N 2.78Å; F186-V189 PolarHBondContact O-N 3.23Å; F186-V189 VanDerWaalsContact O-N 3.11Å; F186-I190 HydrophobicContact CD1-CD1 3.95Å; F186-I190 HydrophobicContact CD2-CD1 4.23Å; F186-I190 HydrophobicContact CD2-CG1 4.2Å; F186-I190 HydrophobicContact CE1-CD1 3.28Å; F186-I190 HydrophobicContact CE1-CG1 4.25Å; F186-I190 HydrophobicContact CE2-CD1 3.57Å; F186-I190 HydrophobicContact CE2-CG1 3.61Å; F186-I190 HydrophobicContact CG-CD1 4.38Å; F186-I190 HydrophobicContact CZ-CD1 3.05Å; F186-I190 HydrophobicContact CZ-CG1 3.66Å; F186-I190 PolarHBondContact O-N 3.27Å; F186-W220 HydrophobicContact CB-CH2 3.58Å; F186-W220 HydrophobicContact CB-CZ2 3.45Å; F186-W220 VanDerWaalsContact CB-CZ2 3.45Å; F186-W220 HydrophobicContact CD1-CH2 4.24Å; F186-W220 HydrophobicContact CD1-CZ2 4.16Å; F186-W220 AromaticContact CD2-CH2 3.54Å; F186-W220 HydrophobicContact CD2-CH2 3.54Å; F186-W220 HydrophobicContact CD2-CZ2 4.21Å; F186-W220 HydrophobicContact CD2-CZ3 4.33Å; F186-W220 HydrophobicContact CE2-CH2 4.33Å; F186-W220 AromaticContact CG-CH2 3.5Å; F186-W220 HydrophobicContact CG-CH2 3.5Å; F186-W220 VanDerWaalsContact CG-CH2 3.5Å; F186-W220 AromaticContact CG-CZ2 3.67Å; F186-W220 HydrophobicContact CG-CZ2 3.67Å; F186-C224 HydrophobicContact CD2-CB 4.39Å; F186-C224 HydrophobicContact CE1-CB 3.99Å; F186-C224 HydrophobicContact CE2-CB 3.73Å; F186-C224 WeakPolarHBondContact CE2-SG 3.28Å; F186-C224 HydrophobicContact CZ-CB 3.47Å; F186-C224 VanDerWaalsContact CZ-CB 3.47Å; F186-C224 WeakPolarHBondContact CZ-O 3.36Å; F186-C224 WeakPolarHBondContact CZ-SG 3.38Å; F186-M227 HydrophobicContact CD1-CE 4.47Å; F186-M227 HydrophobicContact CD1-SD 4.3Å; F186-M227 HydrophobicContact CE1-CB 3.93Å; F186-M227 HydrophobicContact CE1-CE 4.12Å; F186-M227 HydrophobicContact CE1-CG 4.4Å; F186-M227 HydrophobicContact CE1-SD 3.73Å; F186-M227 HydrophobicContact CZ-CB 4.27Å; F186-I228 HydrophobicContact CZ-CG1 4.42Å |
| 187 | L | 95.8 | Very high | 92.7 | Very high | 20 Ų | 20 | 37.3 Ų | 37.3 | 11% | 0.105 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.1 | -39.2 | 172.3 | -66.1 | 171.4 | 0 | 0 | 0 | 111.1 | I131 H136 I138 E183 N184 S191 M227 | I131-L187 HydrophobicContact CD1-CB 4.25Å; I131-L187 HydrophobicContact CD1-CD2 3.61Å; H136-L187 HydrophobicContact CB-CD1 4.23Å; H136-L187 HydrophobicContact CB-CD2 4.12Å; I138-L187 HydrophobicContact CD1-CB 3.83Å; I138-L187 HydrophobicContact CG1-CB 3.7Å; I138-L187 HydrophobicContact CG1-CD1 4.36Å; E183-L187 WeakPolarHBondContact O-CG 3.47Å; E183-L187 PolarHBondContact O-N 2.74Å; N184-L187 PolarHBondContact O-N 3.06Å; L187-S191 WeakPolarHBondContact O-CB 3.22Å; L187-S191 PolarHBondContact O-N 2.92Å; L187-S191 PolarHBondContact O-OG 3.46Å; L187-M227 HydrophobicContact CD2-CE 3.76Å |
| 188 | Y | 96.6 | Very high | 91.7 | Very high | 26 Ų | 26 | 35.8 Ų | 35.8 | 10% | 0.102 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.3 | -44.4 | 173.6 | 171.9 | -98.9 | 0 | 0 | 0 | 112 | M140 I143 K147 I150 N184 L185 F186 S191 T192 | M140-Y188 HydrophobicContact CE-CD2 4.33Å; M140-Y188 HydrophobicContact SD-CD2 4.43Å; I143-Y188 HydrophobicContact CD1-CD1 4.05Å; I143-Y188 HydrophobicContact CD1-CD2 3.67Å; I143-Y188 HydrophobicContact CD1-CE2 4.47Å; I143-Y188 HydrophobicContact CD1-CG 3.41Å; I143-Y188 VanDerWaalsContact CD1-CG 3.41Å; K147-Y188 HydrophobicContact CB-CE1 4.26Å; K147-Y188 WeakPolarHBondContact CE-OH 3.24Å; K147-Y188 HydrophobicContact CG-CE1 4.2Å; I150-Y188 HydrophobicContact CG2-CD1 4.31Å; I150-Y188 HydrophobicContact CG2-CE1 3.64Å; N184-Y188 WeakPolarHBondContact O-CB 3.33Å; N184-Y188 PolarHBondContact O-N 3.09Å; L185-Y188 HydrophobicContact CD1-CD1 4.19Å; L185-Y188 WeakPolarHBondContact O-CB 3.43Å; L185-Y188 PolarHBondContact O-N 2.8Å; F186-Y188 PolarHBondContact O-N 2.78Å; Y188-S191 WeakPolarHBondContact CA-OG 3.38Å; Y188-S191 PolarHBondContact O-OG 2.78Å; Y188-T192 WeakPolarHBondContact O-CB 3.49Å; Y188-T192 PolarHBondContact O-N 3.42Å; Y188-T192 PolarHBondContact O-OG1 3.37Å |
| 189 | V | 95.6 | Very high | 91.1 | Very high | 15 Ų | 15 | 40.4 Ų | 40.4 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.5 | -49.2 | 177.3 | 167.6 | 0 | 0 | 0 | 0 | 110.9 | V149 I150 F165 L185 F186 T192 L193 | V149-V189 HydrophobicContact CG1-CG2 3.88Å; I150-V189 HydrophobicContact CB-CG2 4.49Å; I150-V189 HydrophobicContact CD1-CG1 4.1Å; I150-V189 HydrophobicContact CG2-CG2 4.36Å; F165-V189 HydrophobicContact CD2-CG1 4.44Å; F165-V189 HydrophobicContact CE2-CG1 4.35Å; F165-V189 HydrophobicContact CE2-CG2 4.09Å; L185-V189 VanDerWaalsContact O-CG2 3.28Å; L185-V189 WeakPolarHBondContact O-CG2 3.48Å; L185-V189 PolarHBondContact O-N 3.5Å; F186-V189 PolarHBondContact O-N 3.23Å; F186-V189 VanDerWaalsContact O-N 3.11Å; V189-T192 PolarHBondContact O-N 2.86Å; V189-L193 HydrophobicContact CG1-CD1 4.31Å; V189-L193 VanDerWaalsContact O-CG 3.32Å; V189-L193 WeakPolarHBondContact O-CG 3.36Å; V189-L193 PolarHBondContact O-N 3.23Å |
| 190 | I | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.5 | -50.3 | 179.3 | -61.4 | 166.4 | 0 | 0 | 0 | 111.2 | I131 F186 T192 L193 E194 M227 I228 L232 | I131-I190 HydrophobicContact CB-CG2 4.47Å; I131-I190 HydrophobicContact CD1-CB 4.09Å; I131-I190 HydrophobicContact CD1-CG2 4.2Å; I131-I190 HydrophobicContact CG1-CG2 4.16Å; I131-I190 HydrophobicContact CG2-CB 4.45Å; I131-I190 HydrophobicContact CG2-CG2 3.52Å; F186-I190 HydrophobicContact CD1-CD1 3.95Å; F186-I190 HydrophobicContact CD2-CD1 4.23Å; F186-I190 HydrophobicContact CD2-CG1 4.2Å; F186-I190 HydrophobicContact CE1-CD1 3.28Å; F186-I190 HydrophobicContact CE1-CG1 4.25Å; F186-I190 HydrophobicContact CE2-CD1 3.57Å; F186-I190 HydrophobicContact CE2-CG1 3.61Å; F186-I190 HydrophobicContact CG-CD1 4.38Å; F186-I190 HydrophobicContact CZ-CD1 3.05Å; F186-I190 HydrophobicContact CZ-CG1 3.66Å; F186-I190 PolarHBondContact O-N 3.27Å; I190-T192 PolarHBondContact O-N 3.34Å; I190-L193 CarbonylContact O-C 3.59Å; I190-L193 WeakPolarHBondContact O-CA 3.49Å; I190-L193 VanDerWaalsContact O-CB 3.31Å; I190-L193 WeakPolarHBondContact O-CB 3.49Å; I190-L193 PolarHBondContact O-N 3.25Å; I190-E194 HydrophobicContact CG2-CG 4.32Å; I190-E194 PolarHBondContact O-N 2.81Å; I190-M227 HydrophobicContact CD1-CB 4.22Å; I190-I228 HydrophobicContact CD1-CG1 4.42Å; I190-I228 HydrophobicContact CG1-CG1 4.29Å; I190-L232 HydrophobicContact CG2-CD1 4.13Å |
| 191 | S | 93.7 | Very high | 91 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.4 | -34.7 | 179.4 | 56.3 | 0 | 0 | 0 | 0 | 111.9 | L187 Y188 E194 L195 | L187-S191 WeakPolarHBondContact O-CB 3.22Å; L187-S191 PolarHBondContact O-N 2.92Å; L187-S191 PolarHBondContact O-OG 3.46Å; Y188-S191 WeakPolarHBondContact CA-OG 3.38Å; Y188-S191 PolarHBondContact O-OG 2.78Å; S191-E194 PolarHBondContact O-N 2.82Å; S191-L195 VanDerWaalsContact O-CG 3.28Å; S191-L195 WeakPolarHBondContact O-CG 3.37Å; S191-L195 PolarHBondContact O-N 3.27Å; S191-L195 VanDerWaalsContact O-N 3.16Å |
| 192 | T | 93.1 | Very high | 91 | Very high | 17 Ų | 17 | 34.2 Ų | 34.2 | 10% | 0.104 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.3 | -36.2 | 175.1 | -60.3 | 0 | 0 | 0 | 0 | 111.8 | I150 Y188 V189 I190 M196 | I150-T192 HydrophobicContact CD1-CG2 4.01Å; I150-T192 HydrophobicContact CG1-CG2 4.4Å; I150-T192 HydrophobicContact CG2-CG2 4.18Å; Y188-T192 WeakPolarHBondContact O-CB 3.49Å; Y188-T192 PolarHBondContact O-N 3.42Å; Y188-T192 PolarHBondContact O-OG1 3.37Å; V189-T192 PolarHBondContact O-N 2.86Å; I190-T192 PolarHBondContact O-N 3.34Å; T192-M196 HydrophobicContact CG2-CE 3.09Å; T192-M196 WeakPolarHBondContact O-CG 3.33Å; T192-M196 PolarHBondContact O-N 2.94Å; T192-M196 VanDerWaalsContact O-N 3.17Å |
| 193 | L | 91.3 | Very high | 91.1 | Very high | 13 Ų | 13 | 34.9 Ų | 34.9 | 7% | 0.068 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63 | -45.6 | 169.7 | -67.7 | 173.3 | 0 | 0 | 0 | 111.4 | I150 I163 V189 I190 L195 M196 V197 Y201 L232 | I150-L193 HydrophobicContact CD1-CD2 4.05Å; I150-L193 HydrophobicContact CD1-CG 4.24Å; I163-L193 HydrophobicContact CB-CD2 4.33Å; I163-L193 HydrophobicContact CD1-CD2 3.4Å; I163-L193 HydrophobicContact CG1-CD2 4.42Å; I163-L193 HydrophobicContact CG2-CD2 3.75Å; V189-L193 HydrophobicContact CG1-CD1 4.31Å; V189-L193 VanDerWaalsContact O-CG 3.32Å; V189-L193 WeakPolarHBondContact O-CG 3.36Å; V189-L193 PolarHBondContact O-N 3.23Å; I190-L193 CarbonylContact O-C 3.59Å; I190-L193 WeakPolarHBondContact O-CA 3.49Å; I190-L193 VanDerWaalsContact O-CB 3.31Å; I190-L193 WeakPolarHBondContact O-CB 3.49Å; I190-L193 PolarHBondContact O-N 3.25Å; L193-L195 VanDerWaalsContact C-N 3.25Å; L193-L195 PolarHBondContact O-N 2.93Å; L193-M196 PolarHBondContact O-N 3.42Å; L193-M196 VanDerWaalsContact O-N 3.17Å; L193-V197 VanDerWaalsContact O-CB 3.24Å; L193-V197 WeakPolarHBondContact O-CB 3.35Å; L193-V197 WeakPolarHBondContact O-CG2 3.03Å; L193-V197 PolarHBondContact O-N 2.88Å; L193-Y201 HydrophobicContact CD2-CE2 4.33Å; L193-L232 HydrophobicContact CB-CD1 4.29Å; L193-L232 HydrophobicContact CB-CD2 4.49Å |
| 194 | E | 89.5 | Confident | 91.2 | Very high | 31 Ų | 31 | 30.7 Ų | 30.7 | 15% | 0.145 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.3 | -35.7 | -179.8 | -71.4 | 179.5 | 140.6 | 0 | 0 | 113 | I131 G132 I190 S191 L232 | I131-E194 WeakPolarHBondContact CA-OE1 3.38Å; I131-E194 WeakPolarHBondContact CA-OE2 3.29Å; I131-E194 WeakPolarHBondContact CG1-OE2 3.25Å; G132-E194 PolarHBondContact N-OE1 2.8Å; I190-E194 HydrophobicContact CG2-CG 4.32Å; I190-E194 PolarHBondContact O-N 2.81Å; S191-E194 PolarHBondContact O-N 2.82Å; E194-L232 HydrophobicContact CG-CD1 3.76Å; E194-L232 HydrophobicContact CG-CD2 4.31Å; E194-L232 HydrophobicContact CG-CG 4.34Å |
| 195 | L | 86.8 | Confident | 91.2 | Very high | 127 Ų | 127 | 31.5 Ų | 31.5 | 67% | 0.665 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -73.8 | -34.4 | 176.4 | -68 | 171 | 0 | 0 | 0 | 113.2 | S191 L193 | S191-L195 VanDerWaalsContact O-CG 3.28Å; S191-L195 WeakPolarHBondContact O-CG 3.37Å; S191-L195 PolarHBondContact O-N 3.27Å; S191-L195 VanDerWaalsContact O-N 3.16Å; L193-L195 VanDerWaalsContact C-N 3.25Å; L193-L195 PolarHBondContact O-N 2.93Å |
| 196 | M | 82 | Confident | 91.3 | Very high | 55 Ų | 55 | 31.4 Ų | 31.4 | 27% | 0.271 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -84.4 | -24.5 | -179.1 | -71.9 | -164.8 | -125.1 | 0 | 0 | 113.2 | H152 I163 T192 L193 A198 | H152-M196 HydrophobicContact CB-SD 4.09Å; I163-M196 HydrophobicContact CD1-CB 4.09Å; I163-M196 HydrophobicContact CG1-SD 4.48Å; T192-M196 HydrophobicContact CG2-CE 3.09Å; T192-M196 WeakPolarHBondContact O-CG 3.33Å; T192-M196 PolarHBondContact O-N 2.94Å; T192-M196 VanDerWaalsContact O-N 3.17Å; L193-M196 PolarHBondContact O-N 3.42Å; L193-M196 VanDerWaalsContact O-N 3.17Å; M196-A198 PolarHBondContact O-N 3.41Å |
| 197 | V | 77.1 | Confident | 91.1 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | trans | -98.6 | 86.8 | -172.6 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | I163 L193 E199 Y201 R231 L232 N235 | I163-V197 HydrophobicContact CD1-CG2 3.76Å; L193-V197 VanDerWaalsContact O-CB 3.24Å; L193-V197 WeakPolarHBondContact O-CB 3.35Å; L193-V197 WeakPolarHBondContact O-CG2 3.03Å; L193-V197 PolarHBondContact O-N 2.88Å; V197-E199 WeakPolarHBondContact CG1-O 3.29Å; V197-Y201 HydrophobicContact CB-CD1 4.15Å; V197-Y201 HydrophobicContact CB-CE1 4.33Å; V197-Y201 HydrophobicContact CG1-CD1 3.35Å; V197-Y201 HydrophobicContact CG1-CE1 3.56Å; V197-Y201 HydrophobicContact CG1-CG 4.12Å; V197-Y201 HydrophobicContact CG2-CD1 3.56Å; V197-Y201 HydrophobicContact CG2-CD2 3.73Å; V197-Y201 HydrophobicContact CG2-CE1 3.76Å; V197-Y201 HydrophobicContact CG2-CE2 3.88Å; V197-Y201 HydrophobicContact CG2-CG 3.55Å; V197-R231 PolarHBondContact O-NH1 3.11Å; V197-L232 HydrophobicContact CB-CD2 3.83Å; V197-L232 HydrophobicContact CG1-CD2 3.96Å; V197-L232 HydrophobicContact CG2-CD2 4.2Å; V197-N235 HydrophobicContact CG1-CB 4.15Å | ||
| 198 | A | 72.7 | Confident | 90.3 | Very high | 89 Ų | 89 | 29.9 Ų | 29.9 | 74% | 0.736 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -78 | -40.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | M196 | M196-A198 PolarHBondContact O-N 3.41Š|
| 199 | E | 80.9 | Confident | 89.6 | Confident | 132 Ų | 132 | 30.9 Ų | 30.9 | 62% | 0.617 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -130.5 | -141.7 | -176.1 | -60.4 | -173.2 | 177.6 | 0 | 0 | 111.4 | V197 N235 | V197-E199 WeakPolarHBondContact CG1-O 3.29Å; E199-N235 VanDerWaalsContact O-CB 3.28Å; E199-N235 WeakPolarHBondContact O-CB 3.44Å; E199-N235 PolarHBondContact O-ND2 3.29Å |
| 200 | D | 91.7 | Very high | 89.2 | Confident | 51 Ų | 51 | 31.1 Ų | 31.1 | 27% | 0.273 | 18% | 0.178 | S | C | . | . | trans | -72.2 | 144.4 | 177.3 | -74.3 | -37 | 0 | 0 | 0 | 111.9 | N160 N235 K237 | N160-D200 VanDerWaalsContact CA-O 3.3Å; N160-D200 WeakPolarHBondContact CA-O 3.34Å; N160-D200 VanDerWaalsContact OD1-CB 3.3Å; N160-D200 WeakPolarHBondContact OD1-CB 3.44Å; D200-N235 VanDerWaalsContact CA-O 3.29Å; D200-N235 WeakPolarHBondContact CA-O 3.43Å; D200-K237 HydrophobicContact CB-CD 4.49Å; D200-K237 VanDerWaalsContact CB-CE 3.48Å; D200-K237 HydrophobicContact CB-CG 3.98Å; D200-K237 VanDerWaalsContact OD1-CE 3.29Å; D200-K237 WeakPolarHBondContact OD1-CE 3.26Å; D200-K237 IonicContact OD1-NZ 3.73Å; D200-K237 WeakPolarHBondContact OD2-CE 3.38Å; D200-K237 IonicContact OD2-NZ 2.77Å; D200-K237 PolarHBondContact OD2-NZ 3.27Å | ||
| 201 | Y | 94.8 | Very high | 89 | Confident | 5 Ų | 5 | 33.2 Ų | 33.2 | 2% | 0.02 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 164.9 | -176.2 | 74 | -73.7 | 0 | 0 | 0 | 112.9 | A161 I163 L193 V197 I203 L232 N235 L236 K237 | A161-Y201 CarbonylContact O-C 3.55Å; A161-Y201 WeakPolarHBondContact O-CA 3.36Å; A161-Y201 WeakPolarHBondContact O-CB 3.44Å; I163-Y201 HydrophobicContact CD1-CD2 3.62Å; I163-Y201 HydrophobicContact CD1-CE2 4.04Å; I163-Y201 HydrophobicContact CD1-CG 4.43Å; I163-Y201 HydrophobicContact CG1-CD2 4.21Å; L193-Y201 HydrophobicContact CD2-CE2 4.33Å; V197-Y201 HydrophobicContact CB-CD1 4.15Å; V197-Y201 HydrophobicContact CB-CE1 4.33Å; V197-Y201 HydrophobicContact CG1-CD1 3.35Å; V197-Y201 HydrophobicContact CG1-CE1 3.56Å; V197-Y201 HydrophobicContact CG1-CG 4.12Å; V197-Y201 HydrophobicContact CG2-CD1 3.56Å; V197-Y201 HydrophobicContact CG2-CD2 3.73Å; V197-Y201 HydrophobicContact CG2-CE1 3.76Å; V197-Y201 HydrophobicContact CG2-CE2 3.88Å; V197-Y201 HydrophobicContact CG2-CG 3.55Å; Y201-I203 HydrophobicContact CD2-CG1 4.02Å; Y201-I203 HydrophobicContact CE2-CD1 3.74Å; Y201-I203 HydrophobicContact CE2-CG1 3.6Å; Y201-L232 VanDerWaalsContact CE1-O 3.29Å; Y201-L232 WeakPolarHBondContact CE1-O 3.26Å; Y201-L232 PolarHBondContact OH-O 2.84Å; Y201-L232 VanDerWaalsContact OH-O 3.11Å; Y201-N235 HydrophobicContact CD1-CB 4.02Å; Y201-N235 HydrophobicContact CE1-CB 4.01Å; Y201-N235 PolarHBondContact N-O 3.36Å; Y201-L236 HydrophobicContact CD2-CD1 4.02Å; Y201-L236 HydrophobicContact CE1-CB 3.94Å; Y201-L236 HydrophobicContact CE1-CD1 4.4Å; Y201-L236 VanDerWaalsContact CE1-N 3.35Å; Y201-L236 HydrophobicContact CE2-CD1 3.68Å; Y201-L236 CarbonylContact O-C 3.57Å; Y201-K237 PolarHBondContact O-N 3.2Å |
| 202 | M | 95.8 | Very high | 88.8 | Confident | 7 Ų | 7 | 39.1 Ų | 39.1 | 3% | 0.034 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 141.3 | 176.8 | -61.3 | 174.1 | 74.7 | 0 | 0 | 109.3 | Y156 A161 I163 K237 M238 I240 I279 I280 | Y156-M202 HydrophobicContact CD1-SD 4.17Å; Y156-M202 HydrophobicContact CD2-SD 4.33Å; Y156-M202 HydrophobicContact CG-SD 3.87Å; A161-M202 PolarHBondContact O-N 3.39Å; I163-M202 PolarHBondContact N-O 3.11Å; M202-K237 HydrophobicContact CG-CB 4.24Å; M202-M238 WeakPolarHBondContact CA-O 3.36Å; M202-M238 HydrophobicContact CE-CB 3.79Å; M202-M238 HydrophobicContact CE-CE 4.3Å; M202-M238 HydrophobicContact CE-CG 4.42Å; M202-M238 HydrophobicContact CE-SD 3.94Å; M202-M238 HydrophobicContact CG-CB 4.3Å; M202-I240 HydrophobicContact CE-CD1 3.91Å; M202-I279 HydrophobicContact CE-CG2 4.26Å; M202-I280 HydrophobicContact CE-CG2 3.58Å; M202-I280 HydrophobicContact SD-CG2 4.1Å |
| 203 | I | 97.3 | Very high | 88.7 | Confident | 19 Ų | 19 | 44.4 Ų | 44.4 | 10% | 0.097 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 132.7 | 170.1 | -64.4 | 170.3 | 0 | 0 | 0 | 109.3 | I163 Y201 L236 M238 F239 I240 | I163-I203 HydrophobicContact CB-CG1 4.4Å; I163-I203 CarbonylContact O-C 3.55Å; I163-I203 VanDerWaalsContact O-CA 3.26Å; I163-I203 WeakPolarHBondContact O-CA 3.28Å; Y201-I203 HydrophobicContact CD2-CG1 4.02Å; Y201-I203 HydrophobicContact CE2-CD1 3.74Å; Y201-I203 HydrophobicContact CE2-CG1 3.6Å; I203-L236 HydrophobicContact CB-CD1 4.15Å; I203-L236 HydrophobicContact CD1-CD1 3.85Å; I203-L236 HydrophobicContact CG1-CD1 3.71Å; I203-M238 PolarHBondContact N-O 3.19Å; I203-F239 HydrophobicContact CB-CD2 3.64Å; I203-F239 HydrophobicContact CB-CE2 3.94Å; I203-F239 HydrophobicContact CD1-CD2 3.98Å; I203-F239 HydrophobicContact CD1-CE2 4.04Å; I203-F239 HydrophobicContact CG1-CD2 4.39Å; I203-F239 HydrophobicContact CG2-CD2 3.72Å; I203-F239 HydrophobicContact CG2-CE2 3.48Å; I203-F239 VanDerWaalsContact CG2-CE2 3.48Å; I203-I240 PolarHBondContact O-N 2.96Å |
| 204 | V | 98.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 107.3 | 166.8 | -177.9 | 0 | 0 | 0 | 0 | 108.3 | I162 I163 V164 F165 L206 I240 V242 L276 I280 | I162-V204 HydrophobicContact CG2-CG2 3.89Å; I163-V204 PolarHBondContact O-N 2.78Å; V164-V204 CarbonylContact C-O 3.6Å; V164-V204 WeakPolarHBondContact CA-O 3.21Å; V164-V204 HydrophobicContact CG2-CB 4.44Å; F165-V204 PolarHBondContact N-O 2.84Å; V204-L206 HydrophobicContact CG1-CD2 3.58Å; V204-L206 HydrophobicContact CG1-CG 4.1Å; V204-I240 CarbonylContact C-O 3.56Å; V204-I240 WeakPolarHBondContact CA-O 3.41Å; V204-V242 HydrophobicContact CG1-CG2 3.8Å; V204-L276 HydrophobicContact CG1-CD1 3.99Å; V204-L276 HydrophobicContact CG1-CD2 3.92Å; V204-L276 HydrophobicContact CG2-CD1 4.18Å; V204-I280 HydrophobicContact CG2-CD1 3.47Å; V204-I280 VanDerWaalsContact CG2-CD1 3.47Å |
| 205 | Y | 97.6 | Very high | 88.7 | Confident | 26 Ų | 26 | 45.9 Ų | 45.9 | 10% | 0.102 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 102.8 | 173.5 | -175.5 | -87.1 | 0 | 0 | 0 | 109.8 | F165 A167 N207 M215 F239 I240 I241 V242 I248 | F165-Y205 HydrophobicContact CB-CD2 4.21Å; F165-Y205 AromaticContact CD1-CD2 3.31Å; F165-Y205 HydrophobicContact CD1-CD2 3.31Å; F165-Y205 AromaticContact CD1-CE2 3.24Å; F165-Y205 HydrophobicContact CD1-CE2 3.24Å; F165-Y205 HydrophobicContact CD1-CG 4.4Å; F165-Y205 AromaticContact CE1-CD2 3.97Å; F165-Y205 HydrophobicContact CE1-CD2 3.97Å; F165-Y205 AromaticContact CE1-CE2 3.39Å; F165-Y205 HydrophobicContact CE1-CE2 3.39Å; F165-Y205 HydrophobicContact CG-CD2 4.05Å; F165-Y205 HydrophobicContact CG-CE2 4.32Å; A167-Y205 HydrophobicContact CB-CE1 4.16Å; A167-Y205 HydrophobicContact CB-CE2 4.25Å; A167-Y205 WeakPolarHBondContact CB-OH 3.33Å; Y205-N207 HydrophobicContact CD1-CB 3.95Å; Y205-N207 HydrophobicContact CE1-CB 3.6Å; Y205-N207 PolarHBondContact O-N 3.47Å; Y205-M215 PolarHBondContact OH-SD 2.89Å; Y205-M215 VanDerWaalsContact OH-SD 3.4Å; Y205-F239 HydrophobicContact CD2-CZ 4.17Å; Y205-F239 HydrophobicContact CG-CZ 4.23Å; Y205-I240 PolarHBondContact N-O 3.37Å; Y205-I241 HydrophobicContact CD1-CG1 4.45Å; Y205-I241 HydrophobicContact CD1-CG2 4.06Å; Y205-V242 PolarHBondContact O-N 2.95Å; Y205-I248 HydrophobicContact CD1-CD1 4.23Å; Y205-I248 HydrophobicContact CE1-CD1 3.24Å; Y205-I248 WeakPolarHBondContact OH-CD1 3.34Å |
| 206 | L | 97.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 99.8 | 176.7 | -53.7 | 176.3 | 0 | 0 | 0 | 109.8 | V164 F165 A166 A167 V204 V242 L276 I287 I291 | V164-L206 HydrophobicContact CG1-CD1 3.53Å; V164-L206 HydrophobicContact CG1-CG 3.92Å; F165-L206 PolarHBondContact O-N 3.46Å; A166-L206 HydrophobicContact CB-CD1 4.49Å; A167-L206 WeakPolarHBondContact CB-O 3.3Å; A167-L206 PolarHBondContact N-O 3.03Å; V204-L206 HydrophobicContact CG1-CD2 3.58Å; V204-L206 HydrophobicContact CG1-CG 4.1Å; L206-V242 HydrophobicContact CD2-CB 3.86Å; L206-V242 HydrophobicContact CD2-CG1 4.24Å; L206-V242 HydrophobicContact CD2-CG2 3.68Å; L206-L276 HydrophobicContact CD2-CD2 4.46Å; L206-I287 HydrophobicContact CD1-CD1 3.79Å; L206-I287 HydrophobicContact CD2-CD1 4.08Å; L206-I291 HydrophobicContact CB-CD1 3.38Å; L206-I291 HydrophobicContact CD1-CD1 4.16Å; L206-I291 HydrophobicContact CG-CD1 4.34Å |
| 207 | N | 92.8 | Very high | 89.1 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 3% | 0.032 | 21% | 0.21 | C | C | . | . | trans | -86.6 | -21.3 | -179.9 | -174.3 | 61.7 | 0 | 0 | 0 | 113.5 | Y205 A209 T210 V242 H243 S245 I248 | Y205-N207 HydrophobicContact CD1-CB 3.95Å; Y205-N207 HydrophobicContact CE1-CB 3.6Å; Y205-N207 PolarHBondContact O-N 3.47Å; N207-A209 PolarHBondContact O-N 3.33Å; N207-T210 VanDerWaalsContact O-CB 3.26Å; N207-T210 WeakPolarHBondContact O-CB 3.41Å; N207-T210 PolarHBondContact O-N 3.48Å; N207-T210 VanDerWaalsContact O-N 3.11Å; N207-T210 PolarHBondContact O-OG1 2.7Å; N207-V242 WeakPolarHBondContact CB-O 3.26Å; N207-V242 PolarHBondContact N-O 3.3Å; N207-V242 VanDerWaalsContact N-O 3.08Å; N207-H243 WeakPolarHBondContact CB-O 3.31Å; N207-H243 PolarHBondContact ND2-O 3.05Å; N207-S245 WeakPolarHBondContact ND2-CB 3.12Å; N207-S245 PolarHBondContact ND2-N 3.11Å; N207-I248 HydrophobicContact CB-CD1 4.21Å; N207-I248 WeakPolarHBondContact OD1-CD1 3.3Å | ||
| 208 | G | 79.1 | Confident | 89.6 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.2 | 135.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T210 I291 | G208-T210 PolarHBondContact O-N 3.11Å; G208-I291 WeakPolarHBondContact O-CG1 3.28Å |
| 209 | A | 80.3 | Confident | 90.3 | Very high | 47 Ų | 47 | 43 Ų | 43 | 39% | 0.388 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 19.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | N207 P211 V294 | N207-A209 PolarHBondContact O-N 3.33Å; A209-P211 WeakPolarHBondContact O-CD 3.43Å; A209-V294 HydrophobicContact CB-CG2 3.71Å |
| 210 | T | 87.9 | Confident | 90.7 | Very high | 20 Ų | 20 | 38.5 Ų | 38.5 | 12% | 0.123 | 20% | 0.195 | C | C | . | . | trans | -91.3 | 114.7 | 177.6 | -52.4 | 0 | 0 | 0 | 0 | 111.5 | A167 C168 N207 G208 R214 M215 | A167-T210 VanDerWaalsContact C-OG1 3.29Å; A167-T210 HydrophobicContact CB-CG2 4Å; A167-T210 WeakPolarHBondContact CB-OG1 3.3Å; A167-T210 WeakPolarHBondContact O-CG2 3.47Å; C168-T210 PolarHBondContact N-OG1 3.33Å; C168-T210 VanDerWaalsContact N-OG1 3.14Å; N207-T210 VanDerWaalsContact O-CB 3.26Å; N207-T210 WeakPolarHBondContact O-CB 3.41Å; N207-T210 PolarHBondContact O-N 3.48Å; N207-T210 VanDerWaalsContact O-N 3.11Å; N207-T210 PolarHBondContact O-OG1 2.7Å; G208-T210 PolarHBondContact O-N 3.11Å; T210-R214 HydrophobicContact CG2-CB 4.11Å; T210-M215 HydrophobicContact CG2-CE 3.72Å; T210-M215 HydrophobicContact CG2-CG 4.28Å; T210-M215 HydrophobicContact CG2-SD 4.02Å | ||
| 211 | P | 89 | Confident | 90.6 | Very high | 44 Ų | 44 | 38.6 Ų | 38.6 | 29% | 0.286 | 20% | 0.195 | S | C | . | . | trans | -66.3 | 147 | 174.1 | -20.4 | 34.5 | 0 | 0 | 0 | 111.9 | A209 R213 R214 | A209-P211 WeakPolarHBondContact O-CD 3.43Å; P211-R213 HydrophobicContact CB-CG 3.92Å; P211-R213 PolarHBondContact O-N 3.24Å; P211-R213 VanDerWaalsContact O-N 3.12Å; P211-R214 PolarHBondContact O-N 3.07Å | ||
| 212 | R | 89.8 | Confident | 90.2 | Very high | 127 Ų | 127 | 41.6 Ų | 41.6 | 48% | 0.479 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -55.2 | -33.2 | -180 | 174.1 | 57.9 | -175.1 | 81.4 | -0.1 | 113.7 | R214 M215 F247 | R212-R214 PolarHBondContact O-N 3.28Å; R212-M215 PolarHBondContact NH1-O 3.05Å; R212-M215 WeakPolarHBondContact O-CB 3.36Å; R212-M215 PolarHBondContact O-N 3.08Å; R212-F247 VanDerWaalsContact NE-CD2 3.33Å |
| 213 | R | 91.1 | Very high | 89.9 | Confident | 128 Ų | 128 | 47.1 Ų | 47.1 | 48% | 0.483 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -63 | -19.5 | 179 | 60.9 | 178.8 | -164.4 | -107.7 | -2.6 | 114.3 | D172 S173 P211 M215 | D172-R213 WeakPolarHBondContact OD1-CD 3.39Å; D172-R213 WeakPolarHBondContact OD1-CG 3.12Å; D172-R213 IonicContact OD1-NE 3.15Å; D172-R213 PolarHBondContact OD1-NE 3.13Å; D172-R213 IonicContact OD2-CZ 3.13Å; D172-R213 IonicContact OD2-NE 3.42Å; D172-R213 PolarHBondContact OD2-NE 3.48Å; D172-R213 IonicContact OD2-NH2 3.59Å; D172-R213 PolarHBondContact OD2-NH2 3.06Å; D172-R213 VanDerWaalsContact OD2-NH2 3.11Å; S173-R213 VanDerWaalsContact CB-O 3.28Å; S173-R213 WeakPolarHBondContact CB-O 3.32Å; S173-R213 PolarHBondContact N-O 3.3Å; S173-R213 WeakPolarHBondContact OG-CB 3.31Å; P211-R213 HydrophobicContact CB-CG 3.92Å; P211-R213 PolarHBondContact O-N 3.24Å; P211-R213 VanDerWaalsContact O-N 3.12Å; R213-M215 VanDerWaalsContact C-N 3.34Å |
| 214 | R | 91.6 | Very high | 89.5 | Confident | 65 Ų | 65 | 46.9 Ų | 46.9 | 25% | 0.245 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -86.8 | -6.3 | 174 | -56 | -165.9 | 169.8 | -148.3 | -11.1 | 113.9 | C168 L170 P171 D172 T210 P211 R212 | C168-R214 PolarHBondContact O-NH1 3.21Å; L170-R214 HydrophobicContact CB-CB 4.13Å; L170-R214 WeakPolarHBondContact O-CD 3.19Å; L170-R214 PolarHBondContact O-NH1 2.97Å; P171-R214 VanDerWaalsContact O-CA 3.31Å; P171-R214 WeakPolarHBondContact O-CA 3.11Å; P171-R214 WeakPolarHBondContact O-CB 2.89Å; D172-R214 IonicContact OD2-CZ 3.33Å; D172-R214 IonicContact OD2-NE 3.29Å; D172-R214 PolarHBondContact OD2-NE 3.33Å; D172-R214 VanDerWaalsContact OD2-NE 3.15Å; D172-R214 IonicContact OD2-NH2 3.67Å; D172-R214 PolarHBondContact OD2-NH2 3.33Å; D172-R214 VanDerWaalsContact OD2-NH2 3.13Å; T210-R214 HydrophobicContact CG2-CB 4.11Å; P211-R214 PolarHBondContact O-N 3.07Å; R212-R214 PolarHBondContact O-N 3.28Å |
| 215 | M | 90.4 | Very high | 89.1 | Confident | 10 Ų | 10 | 49 Ų | 49 | 5% | 0.049 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -97.6 | 128.4 | -172 | -60.2 | -82.7 | 77.3 | 0 | 0 | 110.9 | A167 L170 Y205 T210 R212 R213 F247 I248 | A167-M215 HydrophobicContact CB-CE 4.09Å; L170-M215 HydrophobicContact CD1-CE 3.06Å; L170-M215 HydrophobicContact CG-CE 4.44Å; Y205-M215 PolarHBondContact OH-SD 2.89Å; Y205-M215 VanDerWaalsContact OH-SD 3.4Å; T210-M215 HydrophobicContact CG2-CE 3.72Å; T210-M215 HydrophobicContact CG2-CG 4.28Å; T210-M215 HydrophobicContact CG2-SD 4.02Å; R212-M215 PolarHBondContact NH1-O 3.05Å; R212-M215 WeakPolarHBondContact O-CB 3.36Å; R212-M215 PolarHBondContact O-N 3.08Å; R213-M215 VanDerWaalsContact C-N 3.34Å; M215-F247 HydrophobicContact CB-CD1 4.24Å; M215-F247 HydrophobicContact CB-CE1 3.78Å; M215-F247 HydrophobicContact CG-CD1 4.39Å; M215-F247 HydrophobicContact CG-CE1 4.39Å; M215-I248 HydrophobicContact SD-CD1 4.37Å |
| 216 | P | 87.7 | Confident | 88.7 | Confident | 11 Ų | 11 | 53.6 Ų | 53.6 | 7% | 0.071 | 26% | 0.259 | C | S | . | . | trans | -62.9 | 153.1 | 172.5 | 26.7 | -32.4 | 0 | 0 | 0 | 111 | M182 W220 M221 | M182-P216 HydrophobicContact CE-CB 4.04Å; M182-P216 HydrophobicContact CE-CG 3.95Å; P216-W220 HydrophobicContact CB-CB 3.95Å; P216-W220 HydrophobicContact CB-CD2 3.61Å; P216-W220 HydrophobicContact CB-CE3 3.45Å; P216-W220 VanDerWaalsContact CB-CE3 3.45Å; P216-W220 HydrophobicContact CB-CG 3.83Å; P216-W220 HydrophobicContact CB-CZ3 4.16Å; P216-W220 HydrophobicContact CG-CD2 4.19Å; P216-W220 HydrophobicContact CG-CE3 3.53Å; P216-W220 HydrophobicContact CG-CZ3 3.79Å; P216-M221 HydrophobicContact CG-CE 4.14Å | ||
| 217 | G | 87.8 | Confident | 88.3 | Confident | 32 Ų | 32 | 57.4 Ų | 57.4 | 33% | 0.33 | 28% | 0.278 | S | S | . | . | trans | -75.1 | 175.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T219 W220 M221 | G217-T219 PolarHBondContact O-N 3.29Å; G217-W220 PolarHBondContact O-N 2.91Å; G217-M221 PolarHBondContact O-N 3.08Å | ||
| 218 | F | 87.3 | Confident | 88.2 | Confident | 72 Ų | 72 | 58.6 Ų | 58.6 | 32% | 0.316 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -55.6 | -49.6 | -179.2 | 173 | -94 | 0 | 0 | 0 | 113.6 | W220 M221 K222 L251 L254 T255 F258 | F218-W220 VanDerWaalsContact C-N 3.25Å; F218-W220 PolarHBondContact O-N 2.76Å; F218-M221 WeakPolarHBondContact O-CB 3.43Å; F218-M221 PolarHBondContact O-N 3.19Å; F218-M221 VanDerWaalsContact O-N 3.09Å; F218-K222 PolarHBondContact O-N 3.11Å; F218-L251 HydrophobicContact CB-CD1 3.92Å; F218-L251 HydrophobicContact CD2-CD1 3.79Å; F218-L251 HydrophobicContact CG-CD1 4.34Å; F218-L254 HydrophobicContact CD2-CB 4.34Å; F218-L254 HydrophobicContact CE2-CB 4.06Å; F218-T255 HydrophobicContact CD2-CG2 3.65Å; F218-T255 HydrophobicContact CE2-CG2 3.36Å; F218-T255 HydrophobicContact CZ-CG2 4.34Å; F218-F258 HydrophobicContact CZ-CD2 4.13Å; F218-F258 AromaticContact CZ-CE2 3.86Å; F218-F258 HydrophobicContact CZ-CE2 3.86Å |
| 219 | T | 88.9 | Confident | 88.8 | Confident | 99 Ų | 99 | 60.8 Ų | 60.8 | 61% | 0.607 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -58.8 | -39.7 | -179.3 | -52.2 | 0 | 0 | 0 | 0 | 111.9 | G217 R223 | G217-T219 PolarHBondContact O-N 3.29Å; T219-R223 WeakPolarHBondContact O-CG 3.37Å; T219-R223 PolarHBondContact O-N 3.08Å; T219-R223 VanDerWaalsContact O-N 3.07Å |
| 220 | W | 89.5 | Confident | 89.3 | Confident | 37 Ų | 37 | 66.9 Ų | 66.9 | 14% | 0.14 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.4 | -42.9 | 177.3 | -168.6 | 105.3 | 0 | 0 | 0 | 111 | M182 F186 P216 G217 F218 K222 R223 C224 | M182-W220 HydrophobicContact CE-CH2 4.31Å; M182-W220 HydrophobicContact CE-CZ2 4.2Å; F186-W220 HydrophobicContact CB-CH2 3.58Å; F186-W220 HydrophobicContact CB-CZ2 3.45Å; F186-W220 VanDerWaalsContact CB-CZ2 3.45Å; F186-W220 HydrophobicContact CD1-CH2 4.24Å; F186-W220 HydrophobicContact CD1-CZ2 4.16Å; F186-W220 AromaticContact CD2-CH2 3.54Å; F186-W220 HydrophobicContact CD2-CH2 3.54Å; F186-W220 HydrophobicContact CD2-CZ2 4.21Å; F186-W220 HydrophobicContact CD2-CZ3 4.33Å; F186-W220 HydrophobicContact CE2-CH2 4.33Å; F186-W220 AromaticContact CG-CH2 3.5Å; F186-W220 HydrophobicContact CG-CH2 3.5Å; F186-W220 VanDerWaalsContact CG-CH2 3.5Å; F186-W220 AromaticContact CG-CZ2 3.67Å; F186-W220 HydrophobicContact CG-CZ2 3.67Å; P216-W220 HydrophobicContact CB-CB 3.95Å; P216-W220 HydrophobicContact CB-CD2 3.61Å; P216-W220 HydrophobicContact CB-CE3 3.45Å; P216-W220 VanDerWaalsContact CB-CE3 3.45Å; P216-W220 HydrophobicContact CB-CG 3.83Å; P216-W220 HydrophobicContact CB-CZ3 4.16Å; P216-W220 HydrophobicContact CG-CD2 4.19Å; P216-W220 HydrophobicContact CG-CE3 3.53Å; P216-W220 HydrophobicContact CG-CZ3 3.79Å; G217-W220 PolarHBondContact O-N 2.91Å; F218-W220 VanDerWaalsContact C-N 3.25Å; F218-W220 PolarHBondContact O-N 2.76Å; W220-K222 VanDerWaalsContact C-N 3.33Å; W220-K222 PolarHBondContact O-N 3.4Å; W220-R223 PolarHBondContact O-N 2.78Å; W220-C224 HydrophobicContact CE3-CB 3.8Å; W220-C224 HydrophobicContact CH2-CB 4.18Å; W220-C224 HydrophobicContact CZ3-CB 3.56Å; W220-C224 VanDerWaalsContact O-CB 3.26Å; W220-C224 WeakPolarHBondContact O-CB 3.26Å; W220-C224 PolarHBondContact O-N 3.29Å |
| 221 | M | 88.1 | Confident | 89.4 | Confident | 53 Ų | 53 | 70.5 Ų | 70.5 | 26% | 0.261 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.3 | -41 | 176.7 | -168.6 | 59.4 | 65.1 | 0 | 0 | 112.3 | P216 G217 F218 C224 Y225 L251 | P216-M221 HydrophobicContact CG-CE 4.14Å; G217-M221 PolarHBondContact O-N 3.08Å; F218-M221 WeakPolarHBondContact O-CB 3.43Å; F218-M221 PolarHBondContact O-N 3.19Å; F218-M221 VanDerWaalsContact O-N 3.09Å; M221-C224 WeakPolarHBondContact O-CB 3.35Å; M221-C224 PolarHBondContact O-N 2.86Å; M221-Y225 PolarHBondContact O-N 2.86Å; M221-L251 HydrophobicContact CB-CD1 4.38Å; M221-L251 HydrophobicContact CB-CD2 4.28Å; M221-L251 HydrophobicContact CE-CD2 4.01Å; M221-L251 HydrophobicContact CG-CD2 4.11Å |
| 222 | K | 87.9 | Confident | 89.5 | Confident | 68 Ų | 68 | 68.4 Ų | 68.4 | 30% | 0.296 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.9 | -49.5 | 174.6 | -177.4 | 179.9 | 176.3 | 179.5 | 0 | 111.5 | F218 W220 C224 Y225 Q226 | F218-K222 PolarHBondContact O-N 3.11Å; W220-K222 VanDerWaalsContact C-N 3.33Å; W220-K222 PolarHBondContact O-N 3.4Å; K222-C224 VanDerWaalsContact C-N 3.32Å; K222-C224 PolarHBondContact O-N 3.07Å; K222-Y225 PolarHBondContact O-N 3.31Å; K222-Q226 WeakPolarHBondContact O-CG 3.36Å; K222-Q226 PolarHBondContact O-N 2.85Å |
| 223 | R | 88.4 | Confident | 89.7 | Confident | 123 Ų | 123 | 64.4 Ų | 64.4 | 46% | 0.464 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 176.5 | -71.9 | -170.1 | -60.1 | 170 | 7.1 | 111.5 | T219 W220 Y225 Q226 M227 | T219-R223 WeakPolarHBondContact O-CG 3.37Å; T219-R223 PolarHBondContact O-N 3.08Å; T219-R223 VanDerWaalsContact O-N 3.07Å; W220-R223 PolarHBondContact O-N 2.78Å; R223-Y225 PolarHBondContact O-N 2.95Å; R223-Q226 WeakPolarHBondContact O-CB 3.38Å; R223-Q226 PolarHBondContact O-N 2.88Å; R223-Q226 VanDerWaalsContact O-N 3.11Å; R223-M227 WeakPolarHBondContact O-CG 3.35Å; R223-M227 PolarHBondContact O-N 3.4Å |
| 224 | C | 89.3 | Confident | 89.7 | Confident | 15 Ų | 15 | 63.9 Ų | 63.9 | 10% | 0.101 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55.4 | -52.7 | 174.9 | 155.8 | 0 | 0 | 0 | 0 | 111.2 | F186 W220 M221 K222 Q226 M227 I228 | F186-C224 HydrophobicContact CD2-CB 4.39Å; F186-C224 HydrophobicContact CE1-CB 3.99Å; F186-C224 HydrophobicContact CE2-CB 3.73Å; F186-C224 WeakPolarHBondContact CE2-SG 3.28Å; F186-C224 HydrophobicContact CZ-CB 3.47Å; F186-C224 VanDerWaalsContact CZ-CB 3.47Å; F186-C224 WeakPolarHBondContact CZ-O 3.36Å; F186-C224 WeakPolarHBondContact CZ-SG 3.38Å; W220-C224 HydrophobicContact CE3-CB 3.8Å; W220-C224 HydrophobicContact CH2-CB 4.18Å; W220-C224 HydrophobicContact CZ3-CB 3.56Å; W220-C224 VanDerWaalsContact O-CB 3.26Å; W220-C224 WeakPolarHBondContact O-CB 3.26Å; W220-C224 PolarHBondContact O-N 3.29Å; M221-C224 WeakPolarHBondContact O-CB 3.35Å; M221-C224 PolarHBondContact O-N 2.86Å; K222-C224 VanDerWaalsContact C-N 3.32Å; K222-C224 PolarHBondContact O-N 3.07Å; C224-Q226 VanDerWaalsContact C-N 3.26Å; C224-Q226 PolarHBondContact O-N 3.17Å; C224-M227 PolarHBondContact O-N 3.14Å; C224-I228 WeakPolarHBondContact O-CG1 3.42Å; C224-I228 PolarHBondContact O-N 3.04Å |
| 225 | Y | 89.6 | Confident | 89.7 | Confident | 44 Ų | 44 | 62.5 Ų | 62.5 | 17% | 0.173 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.1 | -37.9 | 176.4 | 177.9 | -101.2 | 0 | 0 | 0 | 112.3 | M221 K222 R223 K233 I259 S260 F263 | M221-Y225 PolarHBondContact O-N 2.86Å; K222-Y225 PolarHBondContact O-N 3.31Å; R223-Y225 PolarHBondContact O-N 2.95Å; Y225-K233 HydrophobicContact CE2-CD 4.14Å; Y225-K233 HydrophobicContact CE2-CG 4.35Å; Y225-K233 WeakPolarHBondContact O-CE 3.44Å; Y225-K233 PolarHBondContact O-NZ 2.97Å; Y225-I259 HydrophobicContact CD1-CG2 3.97Å; Y225-I259 HydrophobicContact CD2-CG2 4.04Å; Y225-I259 HydrophobicContact CE1-CB 4.32Å; Y225-I259 HydrophobicContact CE1-CG2 3.87Å; Y225-I259 HydrophobicContact CE2-CB 4.4Å; Y225-I259 HydrophobicContact CE2-CG2 3.93Å; Y225-I259 HydrophobicContact CG-CG2 4.05Å; Y225-S260 PolarHBondContact OH-N 2.81Å; Y225-F263 HydrophobicContact CE2-CD1 4.18Å; Y225-F263 HydrophobicContact CE2-CD2 4.22Å; Y225-F263 HydrophobicContact CE2-CE1 4.33Å; Y225-F263 HydrophobicContact CE2-CE2 4.34Å; Y225-F263 HydrophobicContact CE2-CG 4.13Å; Y225-F263 HydrophobicContact CE2-CZ 4.41Å |
| 226 | Q | 89.6 | Confident | 89.9 | Confident | 123 Ų | 123 | 62.1 Ų | 62.1 | 58% | 0.575 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -67.1 | -38.9 | 178.2 | -71.6 | 172.9 | -42.2 | 0 | 0 | 112.9 | K222 R223 C224 I228 | K222-Q226 WeakPolarHBondContact O-CG 3.36Å; K222-Q226 PolarHBondContact O-N 2.85Å; R223-Q226 WeakPolarHBondContact O-CB 3.38Å; R223-Q226 PolarHBondContact O-N 2.88Å; R223-Q226 VanDerWaalsContact O-N 3.11Å; C224-Q226 VanDerWaalsContact C-N 3.26Å; C224-Q226 PolarHBondContact O-N 3.17Å; Q226-I228 VanDerWaalsContact C-N 3.34Å; Q226-I228 PolarHBondContact O-N 3.29Å |
| 227 | M | 89.3 | Confident | 90.3 | Very high | 79 Ų | 79 | 67 Ų | 67 | 39% | 0.389 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -71.1 | -24 | 179.4 | -71.8 | 179.6 | 67.2 | 0 | 0 | 114.1 | F186 L187 I190 R223 C224 D229 | F186-M227 HydrophobicContact CD1-CE 4.47Å; F186-M227 HydrophobicContact CD1-SD 4.3Å; F186-M227 HydrophobicContact CE1-CB 3.93Å; F186-M227 HydrophobicContact CE1-CE 4.12Å; F186-M227 HydrophobicContact CE1-CG 4.4Å; F186-M227 HydrophobicContact CE1-SD 3.73Å; F186-M227 HydrophobicContact CZ-CB 4.27Å; L187-M227 HydrophobicContact CD2-CE 3.76Å; I190-M227 HydrophobicContact CD1-CB 4.22Å; R223-M227 WeakPolarHBondContact O-CG 3.35Å; R223-M227 PolarHBondContact O-N 3.4Å; C224-M227 PolarHBondContact O-N 3.14Å; M227-D229 PolarHBondContact O-N 3.49Å |
| 228 | I | 90.3 | Very high | 90.6 | Very high | 32 Ų | 32 | 67.9 Ų | 67.9 | 16% | 0.164 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -66 | 127.7 | 177.2 | -65.8 | 166.4 | 0 | 0 | 0 | 109.2 | F186 I190 C224 Q226 L232 K233 | F186-I228 HydrophobicContact CZ-CG1 4.42Å; I190-I228 HydrophobicContact CD1-CG1 4.42Å; I190-I228 HydrophobicContact CG1-CG1 4.29Å; C224-I228 WeakPolarHBondContact O-CG1 3.42Å; C224-I228 PolarHBondContact O-N 3.04Å; Q226-I228 VanDerWaalsContact C-N 3.34Å; Q226-I228 PolarHBondContact O-N 3.29Å; I228-L232 HydrophobicContact CG2-CB 3.75Å; I228-L232 HydrophobicContact CG2-CD1 3.99Å; I228-K233 HydrophobicContact CG2-CG 3.88Å; I228-K233 WeakPolarHBondContact O-CE 3.47Å; I228-K233 PolarHBondContact O-NZ 2.81Å |
| 229 | D | 90.9 | Very high | 91.1 | Very high | 48 Ų | 48 | 66.2 Ų | 66.2 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | trans | -57.8 | 148.3 | 179.4 | -174.1 | -96.4 | 0 | 0 | 0 | 113 | M227 R231 L232 K233 | M227-D229 PolarHBondContact O-N 3.49Å; D229-R231 PolarHBondContact O-N 3.04Å; D229-R231 WeakPolarHBondContact OD1-CA 3.39Å; D229-R231 WeakPolarHBondContact OD1-CB 3.38Å; D229-R231 PolarHBondContact OD1-N 3.4Å; D229-L232 HydrophobicContact CB-CD1 4.48Å; D229-L232 HydrophobicContact CB-CG 4.42Å; D229-L232 PolarHBondContact O-N 3.45Å; D229-K233 PolarHBondContact O-N 3.46Å | ||
| 230 | R | 89.9 | Confident | 91.5 | Very high | 174 Ų | 174 | 61.5 Ų | 61.5 | 66% | 0.657 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -58.2 | -35.7 | -179.5 | -178.1 | -179.9 | 169.8 | -152.9 | -3.6 | 111.8 | K233 K234 | R230-K233 PolarHBondContact O-N 3.28Å; R230-K234 HydrophobicContact CG-CD 4.4Å; R230-K234 VanDerWaalsContact CZ-NZ 3.34Å; R230-K234 VanDerWaalsContact NE-CE 3.31Å; R230-K234 WeakPolarHBondContact O-CG 3.21Å; R230-K234 PolarHBondContact O-N 3.12Å |
| 231 | R | 90.8 | Very high | 91.9 | Very high | 97 Ų | 97 | 59.8 Ų | 59.8 | 37% | 0.366 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.7 | -49.1 | 178 | -174.2 | 177.8 | 63.2 | 86.5 | -2.1 | 111.3 | V197 D229 K233 K234 N235 | V197-R231 PolarHBondContact O-NH1 3.11Å; D229-R231 PolarHBondContact O-N 3.04Å; D229-R231 WeakPolarHBondContact OD1-CA 3.39Å; D229-R231 WeakPolarHBondContact OD1-CB 3.38Å; D229-R231 PolarHBondContact OD1-N 3.4Å; R231-K233 VanDerWaalsContact C-N 3.34Å; R231-K233 PolarHBondContact O-N 3.29Å; R231-K234 PolarHBondContact O-N 2.74Å; R231-K234 VanDerWaalsContact O-N 3.12Å; R231-N235 WeakPolarHBondContact O-CB 3.24Å; R231-N235 PolarHBondContact O-N 3.33Å; R231-N235 PolarHBondContact O-OD1 3.29Å |
| 232 | L | 92.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.9 | -45.5 | 177.9 | -63.6 | 179 | 0 | 0 | 0 | 111.4 | I190 L193 E194 V197 Y201 I228 D229 K234 N235 L236 | I190-L232 HydrophobicContact CG2-CD1 4.13Å; L193-L232 HydrophobicContact CB-CD1 4.29Å; L193-L232 HydrophobicContact CB-CD2 4.49Å; E194-L232 HydrophobicContact CG-CD1 3.76Å; E194-L232 HydrophobicContact CG-CD2 4.31Å; E194-L232 HydrophobicContact CG-CG 4.34Å; V197-L232 HydrophobicContact CB-CD2 3.83Å; V197-L232 HydrophobicContact CG1-CD2 3.96Å; V197-L232 HydrophobicContact CG2-CD2 4.2Å; Y201-L232 VanDerWaalsContact CE1-O 3.29Å; Y201-L232 WeakPolarHBondContact CE1-O 3.26Å; Y201-L232 PolarHBondContact OH-O 2.84Å; Y201-L232 VanDerWaalsContact OH-O 3.11Å; I228-L232 HydrophobicContact CG2-CB 3.75Å; I228-L232 HydrophobicContact CG2-CD1 3.99Å; D229-L232 HydrophobicContact CB-CD1 4.48Å; D229-L232 HydrophobicContact CB-CG 4.42Å; D229-L232 PolarHBondContact O-N 3.45Å; L232-K234 VanDerWaalsContact C-N 3.3Å; L232-K234 PolarHBondContact O-N 3.46Å; L232-N235 PolarHBondContact O-N 2.88Å; L232-L236 PolarHBondContact O-N 2.89Å; L232-L236 VanDerWaalsContact O-N 3.13Å |
| 233 | K | 92.8 | Very high | 92.7 | Very high | 42 Ų | 42 | 54.1 Ų | 54.1 | 18% | 0.183 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.6 | -38 | 177 | -68.8 | 165.3 | 179.4 | 153.7 | 0 | 112.7 | Y225 I228 D229 R230 R231 K266 | Y225-K233 HydrophobicContact CE2-CD 4.14Å; Y225-K233 HydrophobicContact CE2-CG 4.35Å; Y225-K233 WeakPolarHBondContact O-CE 3.44Å; Y225-K233 PolarHBondContact O-NZ 2.97Å; I228-K233 HydrophobicContact CG2-CG 3.88Å; I228-K233 WeakPolarHBondContact O-CE 3.47Å; I228-K233 PolarHBondContact O-NZ 2.81Å; D229-K233 PolarHBondContact O-N 3.46Å; R230-K233 PolarHBondContact O-N 3.28Å; R231-K233 VanDerWaalsContact C-N 3.34Å; R231-K233 PolarHBondContact O-N 3.29Å; K233-K266 PolarHBondContact O-NZ 3.27Å |
| 234 | K | 91.3 | Very high | 93 | Very high | 118 Ų | 118 | 48.9 Ų | 48.9 | 51% | 0.513 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -70.4 | -49.8 | -180 | -78.8 | -179.2 | 177 | -177.3 | 0 | 111.4 | R230 R231 L232 L236 K266 | R230-K234 HydrophobicContact CG-CD 4.4Å; R230-K234 VanDerWaalsContact CZ-NZ 3.34Å; R230-K234 VanDerWaalsContact NE-CE 3.31Å; R230-K234 WeakPolarHBondContact O-CG 3.21Å; R230-K234 PolarHBondContact O-N 3.12Å; R231-K234 PolarHBondContact O-N 2.74Å; R231-K234 VanDerWaalsContact O-N 3.12Å; L232-K234 VanDerWaalsContact C-N 3.3Å; L232-K234 PolarHBondContact O-N 3.46Å; K234-L236 VanDerWaalsContact C-N 3.26Å; K234-L236 PolarHBondContact O-N 2.92Å; K234-K266 PolarHBondContact O-NZ 3.49Å |
| 235 | N | 92.5 | Very high | 93.1 | Very high | 35 Ų | 35 | 49.8 Ų | 49.8 | 19% | 0.187 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.8 | -16.7 | -174.9 | -69.7 | 8.8 | 0 | 0 | 0 | 113.7 | V197 E199 D200 Y201 R231 L232 K237 | V197-N235 HydrophobicContact CG1-CB 4.15Å; E199-N235 VanDerWaalsContact O-CB 3.28Å; E199-N235 WeakPolarHBondContact O-CB 3.44Å; E199-N235 PolarHBondContact O-ND2 3.29Å; D200-N235 VanDerWaalsContact CA-O 3.29Å; D200-N235 WeakPolarHBondContact CA-O 3.43Å; Y201-N235 HydrophobicContact CD1-CB 4.02Å; Y201-N235 HydrophobicContact CE1-CB 4.01Å; Y201-N235 PolarHBondContact N-O 3.36Å; R231-N235 WeakPolarHBondContact O-CB 3.24Å; R231-N235 PolarHBondContact O-N 3.33Å; R231-N235 PolarHBondContact O-OD1 3.29Å; L232-N235 PolarHBondContact O-N 2.88Å; N235-K237 PolarHBondContact O-N 3.22Å; N235-K237 VanDerWaalsContact O-N 3.16Å |
| 236 | L | 95 | Very high | 93.1 | Very high | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 119 | 172.1 | -175.9 | 65.8 | 0 | 0 | 0 | 110 | Y201 I203 L232 K234 M238 F239 F263 K266 | Y201-L236 HydrophobicContact CD2-CD1 4.02Å; Y201-L236 HydrophobicContact CE1-CB 3.94Å; Y201-L236 HydrophobicContact CE1-CD1 4.4Å; Y201-L236 VanDerWaalsContact CE1-N 3.35Å; Y201-L236 HydrophobicContact CE2-CD1 3.68Å; Y201-L236 CarbonylContact O-C 3.57Å; I203-L236 HydrophobicContact CB-CD1 4.15Å; I203-L236 HydrophobicContact CD1-CD1 3.85Å; I203-L236 HydrophobicContact CG1-CD1 3.71Å; L232-L236 PolarHBondContact O-N 2.89Å; L232-L236 VanDerWaalsContact O-N 3.13Å; K234-L236 VanDerWaalsContact C-N 3.26Å; K234-L236 PolarHBondContact O-N 2.92Å; L236-M238 WeakPolarHBondContact CD1-O 3.1Å; L236-F239 HydrophobicContact CD2-CB 4.13Å; L236-F239 HydrophobicContact CD2-CD2 4.35Å; L236-F263 HydrophobicContact CD2-CD2 4.29Å; L236-F263 HydrophobicContact CD2-CE2 3.43Å; L236-F263 VanDerWaalsContact CD2-CE2 3.43Å; L236-F263 HydrophobicContact CD2-CZ 3.86Å; L236-K266 HydrophobicContact CB-CD 4.43Å; L236-K266 HydrophobicContact CG-CD 4.45Å; L236-K266 WeakPolarHBondContact O-CD 3.42Å; L236-K266 WeakPolarHBondContact O-CE 3.04Å; L236-K266 PolarHBondContact O-NZ 3.49Å |
| 237 | K | 94.6 | Very high | 93.1 | Very high | 112 Ų | 112 | 53.8 Ų | 53.8 | 49% | 0.487 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -46.3 | 174 | -72.1 | -74.6 | 172.1 | 176.9 | 0 | 111.9 | D200 Y201 M202 N235 | D200-K237 HydrophobicContact CB-CD 4.49Å; D200-K237 VanDerWaalsContact CB-CE 3.48Å; D200-K237 HydrophobicContact CB-CG 3.98Å; D200-K237 VanDerWaalsContact OD1-CE 3.29Å; D200-K237 WeakPolarHBondContact OD1-CE 3.26Å; D200-K237 IonicContact OD1-NZ 3.73Å; D200-K237 WeakPolarHBondContact OD2-CE 3.38Å; D200-K237 IonicContact OD2-NZ 2.77Å; D200-K237 PolarHBondContact OD2-NZ 3.27Å; Y201-K237 PolarHBondContact O-N 3.2Å; M202-K237 HydrophobicContact CG-CB 4.24Å; N235-K237 PolarHBondContact O-N 3.22Å; N235-K237 VanDerWaalsContact O-N 3.16Å |
| 238 | M | 95.6 | Very high | 93.1 | Very high | 51 Ų | 51 | 50.5 Ų | 50.5 | 25% | 0.251 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 139.1 | -174.7 | -159.6 | 176 | -66.6 | 0 | 0 | 110.9 | M202 I203 L236 I240 K268 I279 | M202-M238 WeakPolarHBondContact CA-O 3.36Å; M202-M238 HydrophobicContact CE-CB 3.79Å; M202-M238 HydrophobicContact CE-CE 4.3Å; M202-M238 HydrophobicContact CE-CG 4.42Å; M202-M238 HydrophobicContact CE-SD 3.94Å; M202-M238 HydrophobicContact CG-CB 4.3Å; I203-M238 PolarHBondContact N-O 3.19Å; L236-M238 WeakPolarHBondContact CD1-O 3.1Å; M238-I240 HydrophobicContact CB-CG1 4.35Å; M238-I240 HydrophobicContact CG-CD1 4.31Å; M238-I240 HydrophobicContact CG-CG1 3.64Å; M238-I240 HydrophobicContact SD-CD1 3.71Å; M238-I240 HydrophobicContact SD-CG1 3.52Å; M238-I240 VanDerWaalsContact SD-CG1 3.52Å; M238-K268 HydrophobicContact CG-CB 4.33Å; M238-K268 HydrophobicContact SD-CB 4.25Å; M238-K268 HydrophobicContact SD-CD 3.94Å; M238-I279 HydrophobicContact CE-CG2 4.44Å; M238-I279 HydrophobicContact SD-CG2 3.87Å |
| 239 | F | 97.1 | Very high | 93.2 | Very high | 38 Ų | 38 | 54.7 Ų | 54.7 | 17% | 0.167 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 92.8 | 172.2 | -168.7 | -105.7 | 0 | 0 | 0 | 108.5 | I203 Y205 L236 I241 K266 I267 K268 | I203-F239 HydrophobicContact CB-CD2 3.64Å; I203-F239 HydrophobicContact CB-CE2 3.94Å; I203-F239 HydrophobicContact CD1-CD2 3.98Å; I203-F239 HydrophobicContact CD1-CE2 4.04Å; I203-F239 HydrophobicContact CG1-CD2 4.39Å; I203-F239 HydrophobicContact CG2-CD2 3.72Å; I203-F239 HydrophobicContact CG2-CE2 3.48Å; I203-F239 VanDerWaalsContact CG2-CE2 3.48Å; Y205-F239 HydrophobicContact CD2-CZ 4.17Å; Y205-F239 HydrophobicContact CG-CZ 4.23Å; L236-F239 HydrophobicContact CD2-CB 4.13Å; L236-F239 HydrophobicContact CD2-CD2 4.35Å; F239-I241 HydrophobicContact CD1-CD1 3.89Å; F239-I241 HydrophobicContact CD1-CG1 3.75Å; F239-I241 HydrophobicContact CE1-CD1 3.7Å; F239-I241 HydrophobicContact CE1-CG1 3.59Å; F239-K266 PolarHBondContact N-O 3.47Å; F239-I267 HydrophobicContact CB-CG1 4.31Å; F239-I267 HydrophobicContact CD1-CG1 4.17Å; F239-I267 HydrophobicContact CD1-CG2 4.43Å; F239-I267 WeakPolarHBondContact O-CA 3.4Å; F239-K268 PolarHBondContact O-N 3.21Å |
| 240 | I | 97.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 117.1 | -174.8 | -53.2 | 170.5 | 0 | 0 | 0 | 109 | M202 I203 V204 Y205 M238 V242 K268 V270 L276 I279 I280 | M202-I240 HydrophobicContact CE-CD1 3.91Å; I203-I240 PolarHBondContact O-N 2.96Å; V204-I240 CarbonylContact C-O 3.56Å; V204-I240 WeakPolarHBondContact CA-O 3.41Å; Y205-I240 PolarHBondContact N-O 3.37Å; M238-I240 HydrophobicContact CB-CG1 4.35Å; M238-I240 HydrophobicContact CG-CD1 4.31Å; M238-I240 HydrophobicContact CG-CG1 3.64Å; M238-I240 HydrophobicContact SD-CD1 3.71Å; M238-I240 HydrophobicContact SD-CG1 3.52Å; M238-I240 VanDerWaalsContact SD-CG1 3.52Å; I240-V242 HydrophobicContact CG2-CG2 4.33Å; I240-K268 CarbonylContact C-O 3.51Å; I240-K268 WeakPolarHBondContact CA-O 3.43Å; I240-V270 HydrophobicContact CG2-CG1 3.99Å; I240-V270 HydrophobicContact CG2-CG2 3.71Å; I240-L276 HydrophobicContact CB-CD1 4.43Å; I240-L276 HydrophobicContact CD1-CD1 4.13Å; I240-L276 HydrophobicContact CG2-CD1 3.78Å; I240-I279 HydrophobicContact CD1-CB 4.38Å; I240-I279 HydrophobicContact CD1-CG2 3.7Å; I240-I280 HydrophobicContact CD1-CG2 4.11Å |
| 241 | I | 97.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 112.4 | 177.5 | -61.9 | 168.5 | 0 | 0 | 0 | 108.7 | Y205 F239 P244 I248 L252 I267 K268 Y269 V270 | Y205-I241 HydrophobicContact CD1-CG1 4.45Å; Y205-I241 HydrophobicContact CD1-CG2 4.06Å; F239-I241 HydrophobicContact CD1-CD1 3.89Å; F239-I241 HydrophobicContact CD1-CG1 3.75Å; F239-I241 HydrophobicContact CE1-CD1 3.7Å; F239-I241 HydrophobicContact CE1-CG1 3.59Å; I241-P244 HydrophobicContact CG2-CB 3.79Å; I241-I248 HydrophobicContact CD1-CG2 4.24Å; I241-I248 HydrophobicContact CG2-CG2 4.36Å; I241-L252 HydrophobicContact CD1-CD1 3.3Å; I241-I267 HydrophobicContact CD1-CG2 3.7Å; I241-I267 HydrophobicContact CG1-CG2 4.5Å; I241-K268 PolarHBondContact N-O 3.13Å; I241-Y269 HydrophobicContact CB-CD1 3.85Å; I241-Y269 HydrophobicContact CB-CE1 4.19Å; I241-Y269 HydrophobicContact CD1-CD1 4.06Å; I241-Y269 HydrophobicContact CD1-CE1 3.52Å; I241-Y269 HydrophobicContact CG1-CE1 4.44Å; I241-Y269 HydrophobicContact CG2-CD1 4.09Å; I241-Y269 HydrophobicContact CG2-CE1 4.33Å; I241-V270 PolarHBondContact O-N 2.83Å |
| 242 | V | 97.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 127.9 | -178 | -172.4 | 0 | 0 | 0 | 0 | 109.8 | V204 Y205 L206 N207 I240 V270 L273 L276 | V204-V242 HydrophobicContact CG1-CG2 3.8Å; Y205-V242 PolarHBondContact O-N 2.95Å; L206-V242 HydrophobicContact CD2-CB 3.86Å; L206-V242 HydrophobicContact CD2-CG1 4.24Å; L206-V242 HydrophobicContact CD2-CG2 3.68Å; N207-V242 WeakPolarHBondContact CB-O 3.26Å; N207-V242 PolarHBondContact N-O 3.3Å; N207-V242 VanDerWaalsContact N-O 3.08Å; I240-V242 HydrophobicContact CG2-CG2 4.33Å; V242-V270 HydrophobicContact CB-CG2 3.99Å; V242-V270 HydrophobicContact CG1-CG2 4.1Å; V242-V270 HydrophobicContact CG2-CG2 3.61Å; V242-L273 HydrophobicContact CG1-CD2 4.11Å; V242-L276 HydrophobicContact CG2-CD1 4.06Å; V242-L276 HydrophobicContact CG2-CD2 3.97Å; V242-L276 HydrophobicContact CG2-CG 4.44Å |
| 243 | H | 95.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.009 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 52 | 58.7 | -174.7 | -54.2 | -59.7 | 0 | 0 | 0 | 113 | N207 S245 V270 H271 D295 | N207-H243 WeakPolarHBondContact CB-O 3.31Å; N207-H243 PolarHBondContact ND2-O 3.05Å; H243-S245 PolarHBondContact O-N 3.01Å; H243-V270 PolarHBondContact N-O 3.07Å; H243-H271 PolarHBondContact CE1-O 2.92Å; H243-H271 PolarHBondContact ND1-O 3.28Å; H243-D295 IonicContact CE1-OD1 2.83Å; H243-D295 PolarHBondContact CE1-OD1 3.28Å; H243-D295 IonicContact NE2-OD1 3.11Å; H243-D295 PolarHBondContact NE2-OD1 3.42Å |
| 244 | P | 93.6 | Very high | 92.9 | Very high | 13 Ų | 13 | 49 Ų | 49 | 8% | 0.084 | 24% | 0.237 | C | C | . | . | trans | -55.8 | 133 | -179.7 | 25.2 | -35.2 | 0 | 0 | 0 | 111.2 | I241 R249 Y269 V270 | I241-P244 HydrophobicContact CG2-CB 3.79Å; P244-R249 HydrophobicContact CB-CG 4.05Å; P244-Y269 HydrophobicContact CB-CD1 3.76Å; P244-Y269 HydrophobicContact CB-CE1 4.21Å; P244-Y269 HydrophobicContact CG-CD1 3.87Å; P244-Y269 HydrophobicContact CG-CG 4.36Å; P244-V270 WeakPolarHBondContact CD-O 3.5Å | ||
| 245 | S | 91.4 | Very high | 92.5 | Very high | 34 Ų | 34 | 43.8 Ų | 43.8 | 24% | 0.238 | 22% | 0.215 | C | C | . | . | trans | -79.4 | 158.2 | 169.1 | 63.7 | 0 | 0 | 0 | 0 | 110.5 | N207 H243 F247 I248 R249 | N207-S245 WeakPolarHBondContact ND2-CB 3.12Å; N207-S245 PolarHBondContact ND2-N 3.11Å; H243-S245 PolarHBondContact O-N 3.01Å; S245-F247 PolarHBondContact O-N 3.15Å; S245-I248 PolarHBondContact O-N 2.7Å; S245-I248 PolarHBondContact OG-N 3.21Å; S245-R249 WeakPolarHBondContact O-CG 3.39Å; S245-R249 PolarHBondContact O-N 3.5Å; S245-R249 VanDerWaalsContact O-N 3.12Å | ||
| 246 | W | 90.3 | Very high | 92.2 | Very high | 205 Ų | 205 | 50 Ų | 50 | 78% | 0.777 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -54.6 | -41.2 | 171.7 | -178.2 | 83.9 | 0 | 0 | 0 | 111.5 | I248 R249 T250 | W246-I248 PolarHBondContact O-N 3.31Å; W246-R249 PolarHBondContact O-N 3.13Å; W246-T250 PolarHBondContact O-N 3.32Å; W246-T250 PolarHBondContact O-OG1 3Å; W246-T250 VanDerWaalsContact O-OG1 3.13Å |
| 247 | F | 89.6 | Confident | 91.7 | Very high | 45 Ų | 45 | 54.9 Ų | 54.9 | 20% | 0.197 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.7 | -47.3 | 176.9 | 175 | -107.1 | 0 | 0 | 0 | 112.9 | R212 M215 S245 R249 T250 L251 | R212-F247 VanDerWaalsContact NE-CD2 3.33Å; M215-F247 HydrophobicContact CB-CD1 4.24Å; M215-F247 HydrophobicContact CB-CE1 3.78Å; M215-F247 HydrophobicContact CG-CD1 4.39Å; M215-F247 HydrophobicContact CG-CE1 4.39Å; S245-F247 PolarHBondContact O-N 3.15Å; F247-R249 VanDerWaalsContact C-N 3.34Å; F247-R249 PolarHBondContact O-N 3.22Å; F247-T250 PolarHBondContact O-N 3.06Å; F247-L251 HydrophobicContact CE1-CD2 4.03Å; F247-L251 HydrophobicContact CZ-CD2 4.16Å; F247-L251 VanDerWaalsContact O-CB 3.23Å; F247-L251 WeakPolarHBondContact O-CB 3.32Å; F247-L251 PolarHBondContact O-N 2.87Å |
| 248 | I | 90.5 | Very high | 91.2 | Very high | 10 Ų | 10 | 54.5 Ų | 54.5 | 5% | 0.051 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.6 | -39.3 | 179.3 | -74.6 | -173.1 | 0 | 0 | 0 | 111.6 | Y205 N207 M215 I241 S245 W246 L251 L252 | Y205-I248 HydrophobicContact CD1-CD1 4.23Å; Y205-I248 HydrophobicContact CE1-CD1 3.24Å; Y205-I248 WeakPolarHBondContact OH-CD1 3.34Å; N207-I248 HydrophobicContact CB-CD1 4.21Å; N207-I248 WeakPolarHBondContact OD1-CD1 3.3Å; M215-I248 HydrophobicContact SD-CD1 4.37Å; I241-I248 HydrophobicContact CD1-CG2 4.24Å; I241-I248 HydrophobicContact CG2-CG2 4.36Å; S245-I248 PolarHBondContact O-N 2.7Å; S245-I248 PolarHBondContact OG-N 3.21Å; W246-I248 PolarHBondContact O-N 3.31Å; I248-L251 PolarHBondContact O-N 3.24Å; I248-L252 HydrophobicContact CG2-CD1 3.66Å; I248-L252 HydrophobicContact CG2-CG 4.23Å; I248-L252 WeakPolarHBondContact O-CB 3.5Å; I248-L252 WeakPolarHBondContact O-CG 3.43Å; I248-L252 PolarHBondContact O-N 3.19Å |
| 249 | R | 92.1 | Very high | 90.8 | Very high | 120 Ų | 120 | 53.1 Ų | 53.1 | 45% | 0.453 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 177.2 | -64.9 | 172.5 | 75.4 | 111.7 | -1.5 | 110.8 | P244 S245 W246 F247 G253 | P244-R249 HydrophobicContact CB-CG 4.05Å; S245-R249 WeakPolarHBondContact O-CG 3.39Å; S245-R249 PolarHBondContact O-N 3.5Å; S245-R249 VanDerWaalsContact O-N 3.12Å; W246-R249 PolarHBondContact O-N 3.13Å; F247-R249 VanDerWaalsContact C-N 3.34Å; F247-R249 PolarHBondContact O-N 3.22Å; R249-G253 PolarHBondContact O-N 3Å |
| 250 | T | 91.9 | Very high | 90.4 | Very high | 48 Ų | 48 | 54 Ų | 54 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64 | -46 | 176.2 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | W246 F247 L252 G253 L254 | W246-T250 PolarHBondContact O-N 3.32Å; W246-T250 PolarHBondContact O-OG1 3Å; W246-T250 VanDerWaalsContact O-OG1 3.13Å; F247-T250 PolarHBondContact O-N 3.06Å; T250-L252 PolarHBondContact O-N 3.36Å; T250-G253 PolarHBondContact O-N 2.89Å; T250-L254 HydrophobicContact CG2-CD1 4.02Å; T250-L254 HydrophobicContact CG2-CG 4.4Å; T250-L254 WeakPolarHBondContact O-CG 3.5Å; T250-L254 PolarHBondContact O-N 3.36Å |
| 251 | L | 90 | Very high | 90 | Very high | 12 Ų | 12 | 58.3 Ų | 58.3 | 6% | 0.063 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.7 | -49.9 | 178.8 | 176.8 | 63.6 | 0 | 0 | 0 | 111.2 | F218 M221 F247 I248 G253 L254 T255 | F218-L251 HydrophobicContact CB-CD1 3.92Å; F218-L251 HydrophobicContact CD2-CD1 3.79Å; F218-L251 HydrophobicContact CG-CD1 4.34Å; M221-L251 HydrophobicContact CB-CD1 4.38Å; M221-L251 HydrophobicContact CB-CD2 4.28Å; M221-L251 HydrophobicContact CE-CD2 4.01Å; M221-L251 HydrophobicContact CG-CD2 4.11Å; F247-L251 HydrophobicContact CE1-CD2 4.03Å; F247-L251 HydrophobicContact CZ-CD2 4.16Å; F247-L251 VanDerWaalsContact O-CB 3.23Å; F247-L251 WeakPolarHBondContact O-CB 3.32Å; F247-L251 PolarHBondContact O-N 2.87Å; I248-L251 PolarHBondContact O-N 3.24Å; L251-G253 VanDerWaalsContact C-N 3.34Å; L251-G253 PolarHBondContact O-N 3.46Å; L251-L254 PolarHBondContact O-N 2.85Å; L251-T255 HydrophobicContact CD1-CG2 4.24Å; L251-T255 WeakPolarHBondContact O-CG2 3.09Å; L251-T255 PolarHBondContact O-N 3.05Å; L251-T255 PolarHBondContact O-OG1 3.11Å; L251-T255 VanDerWaalsContact O-OG1 3.11Å |
| 252 | L | 89.6 | Confident | 89.7 | Confident | 29 Ų | 29 | 66.5 Ų | 66.5 | 15% | 0.152 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.5 | -37.6 | 179.5 | -72 | 173 | 0 | 0 | 0 | 112.2 | I241 I248 T250 T255 R256 I267 Y269 | I241-L252 HydrophobicContact CD1-CD1 3.3Å; I248-L252 HydrophobicContact CG2-CD1 3.66Å; I248-L252 HydrophobicContact CG2-CG 4.23Å; I248-L252 WeakPolarHBondContact O-CB 3.5Å; I248-L252 WeakPolarHBondContact O-CG 3.43Å; I248-L252 PolarHBondContact O-N 3.19Å; T250-L252 PolarHBondContact O-N 3.36Å; L252-T255 VanDerWaalsContact CA-OG1 3.31Å; L252-T255 WeakPolarHBondContact CA-OG1 3.45Å; L252-T255 PolarHBondContact O-N 3.02Å; L252-T255 PolarHBondContact O-OG1 3.37Å; L252-T255 VanDerWaalsContact O-OG1 3.05Å; L252-R256 PolarHBondContact O-N 3.33Å; L252-R256 VanDerWaalsContact O-N 3.08Å; L252-I267 HydrophobicContact CD1-CD1 4.48Å; L252-I267 HydrophobicContact CD1-CG2 4.44Å; L252-I267 HydrophobicContact CD2-CD1 4.22Å; L252-Y269 HydrophobicContact CD1-CE1 4.14Å; L252-Y269 WeakPolarHBondContact CD1-OH 3.31Å |
| 253 | G | 89.6 | Confident | 89.5 | Confident | 45 Ų | 45 | 67.9 Ų | 67.9 | 46% | 0.464 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.9 | -46.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R249 T250 L251 R256 | R249-G253 PolarHBondContact O-N 3Å; T250-G253 PolarHBondContact O-N 2.89Å; L251-G253 VanDerWaalsContact C-N 3.34Å; L251-G253 PolarHBondContact O-N 3.46Å; G253-R256 WeakPolarHBondContact O-CB 3.36Å; G253-R256 PolarHBondContact O-N 3.05Å |
| 254 | L | 88.6 | Confident | 89.3 | Confident | 109 Ų | 109 | 68.7 Ų | 68.7 | 57% | 0.571 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -70.3 | -30.2 | 177.9 | -69.1 | 175.4 | 0 | 0 | 0 | 113.1 | F218 T250 L251 R256 P257 | F218-L254 HydrophobicContact CD2-CB 4.34Å; F218-L254 HydrophobicContact CE2-CB 4.06Å; T250-L254 HydrophobicContact CG2-CD1 4.02Å; T250-L254 HydrophobicContact CG2-CG 4.4Å; T250-L254 WeakPolarHBondContact O-CG 3.5Å; T250-L254 PolarHBondContact O-N 3.36Å; L251-L254 PolarHBondContact O-N 2.85Å; L254-R256 VanDerWaalsContact C-N 3.31Å; L254-P257 WeakPolarHBondContact O-CD 3.4Å |
| 255 | T | 83.2 | Confident | 89.4 | Confident | 8 Ų | 8 | 72.9 Ų | 72.9 | 5% | 0.049 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -80.4 | -12.1 | 176.1 | 55.3 | 0 | 0 | 0 | 0 | 113.4 | F218 L251 L252 P257 F258 I259 | F218-T255 HydrophobicContact CD2-CG2 3.65Å; F218-T255 HydrophobicContact CE2-CG2 3.36Å; F218-T255 HydrophobicContact CZ-CG2 4.34Å; L251-T255 HydrophobicContact CD1-CG2 4.24Å; L251-T255 WeakPolarHBondContact O-CG2 3.09Å; L251-T255 PolarHBondContact O-N 3.05Å; L251-T255 PolarHBondContact O-OG1 3.11Å; L251-T255 VanDerWaalsContact O-OG1 3.11Å; L252-T255 VanDerWaalsContact CA-OG1 3.31Å; L252-T255 WeakPolarHBondContact CA-OG1 3.45Å; L252-T255 PolarHBondContact O-N 3.02Å; L252-T255 PolarHBondContact O-OG1 3.37Å; L252-T255 VanDerWaalsContact O-OG1 3.05Å; T255-P257 VanDerWaalsContact C-CD 3.46Å; T255-F258 WeakPolarHBondContact O-CA 3.31Å; T255-F258 PolarHBondContact O-N 3.08Å; T255-I259 PolarHBondContact O-N 3.46Å |
| 256 | R | 85.6 | Confident | 89.5 | Confident | 166 Ų | 166 | 73.2 Ų | 73.2 | 63% | 0.626 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -48.1 | -44.4 | -177.9 | -164.3 | 172.1 | 179.5 | 164.6 | -1.1 | 115.1 | L252 G253 L254 F258 I259 | L252-R256 PolarHBondContact O-N 3.33Å; L252-R256 VanDerWaalsContact O-N 3.08Å; G253-R256 WeakPolarHBondContact O-CB 3.36Å; G253-R256 PolarHBondContact O-N 3.05Å; L254-R256 VanDerWaalsContact C-N 3.31Å; R256-F258 PolarHBondContact O-N 3.46Å; R256-I259 WeakPolarHBondContact O-CG1 3.44Å; R256-I259 PolarHBondContact O-N 3.38Å; R256-I259 VanDerWaalsContact O-O 3.05Å |
| 257 | P | 85.4 | Confident | 89.8 | Confident | 105 Ų | 105 | 64.9 Ų | 64.9 | 68% | 0.682 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -66.7 | -16.6 | 177.6 | 24.7 | -34.7 | 0 | 0 | 0 | 114.3 | L254 T255 | L254-P257 WeakPolarHBondContact O-CD 3.4Å; T255-P257 VanDerWaalsContact C-CD 3.46Å |
| 258 | F | 83.8 | Confident | 90.2 | Very high | 104 Ų | 104 | 67.1 Ų | 67.1 | 46% | 0.456 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -101.1 | -12.1 | -179 | -55.3 | -76 | 0 | 0 | 0 | 113.3 | F218 T255 R256 | F218-F258 HydrophobicContact CZ-CD2 4.13Å; F218-F258 AromaticContact CZ-CE2 3.86Å; F218-F258 HydrophobicContact CZ-CE2 3.86Å; T255-F258 WeakPolarHBondContact O-CA 3.31Å; T255-F258 PolarHBondContact O-N 3.08Å; R256-F258 PolarHBondContact O-N 3.46Å |
| 259 | I | 86.5 | Confident | 90.5 | Very high | 21 Ų | 21 | 70.4 Ų | 70.4 | 11% | 0.108 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -103.1 | 146.5 | 175.4 | 60.4 | 172.3 | 0 | 0 | 0 | 109.3 | Y225 T255 R256 F263 S264 I267 | Y225-I259 HydrophobicContact CD1-CG2 3.97Å; Y225-I259 HydrophobicContact CD2-CG2 4.04Å; Y225-I259 HydrophobicContact CE1-CB 4.32Å; Y225-I259 HydrophobicContact CE1-CG2 3.87Å; Y225-I259 HydrophobicContact CE2-CB 4.4Å; Y225-I259 HydrophobicContact CE2-CG2 3.93Å; Y225-I259 HydrophobicContact CG-CG2 4.05Å; T255-I259 PolarHBondContact O-N 3.46Å; R256-I259 WeakPolarHBondContact O-CG1 3.44Å; R256-I259 PolarHBondContact O-N 3.38Å; R256-I259 VanDerWaalsContact O-O 3.05Å; I259-F263 HydrophobicContact CB-CD1 4.47Å; I259-F263 HydrophobicContact CD1-CD1 4.34Å; I259-S264 WeakPolarHBondContact CD1-OG 3.37Å; I259-S264 WeakPolarHBondContact CG1-OG 3.36Å; I259-I267 HydrophobicContact CD1-CD1 4.4Å |
| 260 | S | 88.8 | Confident | 90.7 | Very high | 57 Ų | 57 | 64.8 Ų | 64.8 | 40% | 0.399 | 35% | 0.346 | S | S | . | . | trans | -63.6 | 146.8 | 178.8 | 69.9 | 0 | 0 | 0 | 0 | 110.6 | Y225 K262 F263 S264 | Y225-S260 PolarHBondContact OH-N 2.81Å; S260-K262 PolarHBondContact O-N 3.26Å; S260-F263 PolarHBondContact O-N 3.07Å; S260-F263 VanDerWaalsContact OG-CB 3.31Å; S260-F263 WeakPolarHBondContact OG-CB 3.35Å; S260-F263 PolarHBondContact OG-N 3.01Å; S260-S264 PolarHBondContact O-N 2.91Å; S260-S264 PolarHBondContact O-OG 3.23Å | ||
| 261 | S | 89.6 | Confident | 90.8 | Very high | 91 Ų | 91 | 66.9 Ų | 66.9 | 64% | 0.636 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -54.4 | -41.8 | 172.9 | -178.7 | 0 | 0 | 0 | 0 | 111 | F263 S264 S265 | S261-F263 VanDerWaalsContact C-N 3.31Å; S261-F263 PolarHBondContact O-N 3.42Å; S261-S264 WeakPolarHBondContact O-CB 3.34Å; S261-S264 PolarHBondContact O-N 3.09Å; S261-S264 VanDerWaalsContact O-N 3.13Å; S261-S265 PolarHBondContact O-N 3.36Å; S261-S265 PolarHBondContact O-OG 3.22Å; S261-S265 VanDerWaalsContact O-OG 3.12Å |
| 262 | K | 91.2 | Very high | 91.1 | Very high | 173 Ų | 173 | 67 Ų | 67 | 75% | 0.752 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -56.6 | -40.4 | 174.6 | -64.6 | -170.8 | 174.8 | 88.1 | 0 | 113.1 | S260 K266 | S260-K262 PolarHBondContact O-N 3.26Å; K262-K266 WeakPolarHBondContact O-CG 3.47Å |
| 263 | F | 92.6 | Very high | 91.4 | Very high | 28 Ų | 28 | 66.9 Ų | 66.9 | 12% | 0.123 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -72.2 | -42.2 | 176.6 | -173.4 | -87 | 0 | 0 | 0 | 111.5 | Y225 L236 I259 S260 S261 S265 K266 I267 | Y225-F263 HydrophobicContact CE2-CD1 4.18Å; Y225-F263 HydrophobicContact CE2-CD2 4.22Å; Y225-F263 HydrophobicContact CE2-CE1 4.33Å; Y225-F263 HydrophobicContact CE2-CE2 4.34Å; Y225-F263 HydrophobicContact CE2-CG 4.13Å; Y225-F263 HydrophobicContact CE2-CZ 4.41Å; L236-F263 HydrophobicContact CD2-CD2 4.29Å; L236-F263 HydrophobicContact CD2-CE2 3.43Å; L236-F263 VanDerWaalsContact CD2-CE2 3.43Å; L236-F263 HydrophobicContact CD2-CZ 3.86Å; I259-F263 HydrophobicContact CB-CD1 4.47Å; I259-F263 HydrophobicContact CD1-CD1 4.34Å; S260-F263 PolarHBondContact O-N 3.07Å; S260-F263 VanDerWaalsContact OG-CB 3.31Å; S260-F263 WeakPolarHBondContact OG-CB 3.35Å; S260-F263 PolarHBondContact OG-N 3.01Å; S261-F263 VanDerWaalsContact C-N 3.31Å; S261-F263 PolarHBondContact O-N 3.42Å; F263-S265 PolarHBondContact O-N 2.89Å; F263-K266 HydrophobicContact CD2-CD 4.44Å; F263-K266 VanDerWaalsContact O-CB 3.3Å; F263-K266 WeakPolarHBondContact O-CB 3.34Å; F263-K266 PolarHBondContact O-N 2.85Å; F263-I267 HydrophobicContact CD1-CD1 4.48Å; F263-I267 HydrophobicContact CE1-CD1 4.31Å; F263-I267 HydrophobicContact CE1-CG1 4.48Å |
| 264 | S | 92 | Very high | 91.7 | Very high | 20 Ų | 20 | 71.5 Ų | 71.5 | 14% | 0.14 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -56.1 | -40.4 | 176.6 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | I259 S260 S261 K266 I267 | I259-S264 WeakPolarHBondContact CD1-OG 3.37Å; I259-S264 WeakPolarHBondContact CG1-OG 3.36Å; S260-S264 PolarHBondContact O-N 2.91Å; S260-S264 PolarHBondContact O-OG 3.23Å; S261-S264 WeakPolarHBondContact O-CB 3.34Å; S261-S264 PolarHBondContact O-N 3.09Å; S261-S264 VanDerWaalsContact O-N 3.13Å; S264-K266 PolarHBondContact O-N 3.26Å; S264-I267 WeakPolarHBondContact O-CB 3.31Å; S264-I267 PolarHBondContact O-N 3.11Å; S264-I267 VanDerWaalsContact O-N 3.11Å |
| 265 | S | 94.5 | Very high | 92.2 | Very high | 100 Ų | 100 | 69.6 Ų | 69.6 | 70% | 0.699 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -14 | 177.1 | -57.1 | 0 | 0 | 0 | 0 | 114.4 | S261 F263 | S261-S265 PolarHBondContact O-N 3.36Å; S261-S265 PolarHBondContact O-OG 3.22Å; S261-S265 VanDerWaalsContact O-OG 3.12Å; F263-S265 PolarHBondContact O-N 2.89Å |
| 266 | K | 95.3 | Very high | 92.8 | Very high | 42 Ų | 42 | 69.2 Ų | 69.2 | 18% | 0.183 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -15 | 175.6 | -59.6 | 169.9 | 179.2 | -162.2 | 0 | 112.3 | K233 K234 L236 F239 K262 F263 S264 K268 | K233-K266 PolarHBondContact O-NZ 3.27Å; K234-K266 PolarHBondContact O-NZ 3.49Å; L236-K266 HydrophobicContact CB-CD 4.43Å; L236-K266 HydrophobicContact CG-CD 4.45Å; L236-K266 WeakPolarHBondContact O-CD 3.42Å; L236-K266 WeakPolarHBondContact O-CE 3.04Å; L236-K266 PolarHBondContact O-NZ 3.49Å; F239-K266 PolarHBondContact N-O 3.47Å; K262-K266 WeakPolarHBondContact O-CG 3.47Å; F263-K266 HydrophobicContact CD2-CD 4.44Å; F263-K266 VanDerWaalsContact O-CB 3.3Å; F263-K266 WeakPolarHBondContact O-CB 3.34Å; F263-K266 PolarHBondContact O-N 2.85Å; S264-K266 PolarHBondContact O-N 3.26Å; K266-K268 PolarHBondContact O-N 2.83Å |
| 267 | I | 96.1 | Very high | 93.3 | Very high | 29 Ų | 29 | 63 Ų | 63 | 15% | 0.149 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 118.8 | -175.5 | -58.4 | 176.2 | 0 | 0 | 0 | 109.3 | F239 I241 L252 I259 F263 S264 Y269 | F239-I267 HydrophobicContact CB-CG1 4.31Å; F239-I267 HydrophobicContact CD1-CG1 4.17Å; F239-I267 HydrophobicContact CD1-CG2 4.43Å; F239-I267 WeakPolarHBondContact O-CA 3.4Å; I241-I267 HydrophobicContact CD1-CG2 3.7Å; I241-I267 HydrophobicContact CG1-CG2 4.5Å; L252-I267 HydrophobicContact CD1-CD1 4.48Å; L252-I267 HydrophobicContact CD1-CG2 4.44Å; L252-I267 HydrophobicContact CD2-CD1 4.22Å; I259-I267 HydrophobicContact CD1-CD1 4.4Å; F263-I267 HydrophobicContact CD1-CD1 4.48Å; F263-I267 HydrophobicContact CE1-CD1 4.31Å; F263-I267 HydrophobicContact CE1-CG1 4.48Å; S264-I267 WeakPolarHBondContact O-CB 3.31Å; S264-I267 PolarHBondContact O-N 3.11Å; S264-I267 VanDerWaalsContact O-N 3.11Å; I267-Y269 HydrophobicContact CG2-CE1 4.16Å; I267-Y269 HydrophobicContact CG2-CE2 4.22Å |
| 268 | K | 96.9 | Very high | 93.9 | Very high | 92 Ų | 92 | 64.9 Ų | 64.9 | 40% | 0.4 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 130.3 | 175.2 | -171.9 | 169.6 | 179.2 | -178.3 | 0 | 109.6 | M238 F239 I240 I241 K266 I279 | M238-K268 HydrophobicContact CG-CB 4.33Å; M238-K268 HydrophobicContact SD-CB 4.25Å; M238-K268 HydrophobicContact SD-CD 3.94Å; F239-K268 PolarHBondContact O-N 3.21Å; I240-K268 CarbonylContact C-O 3.51Å; I240-K268 WeakPolarHBondContact CA-O 3.43Å; I241-K268 PolarHBondContact N-O 3.13Å; K266-K268 PolarHBondContact O-N 2.83Å; K268-I279 HydrophobicContact CD-CD1 3.89Å; K268-I279 VanDerWaalsContact NZ-CD1 3.34Å |
| 269 | Y | 96.6 | Very high | 94.4 | Very high | 79 Ų | 79 | 61.2 Ų | 61.2 | 31% | 0.31 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 133.5 | 174.1 | -60.7 | -70 | 0 | 0 | 0 | 109.5 | I241 P244 L252 I267 | I241-Y269 HydrophobicContact CB-CD1 3.85Å; I241-Y269 HydrophobicContact CB-CE1 4.19Å; I241-Y269 HydrophobicContact CD1-CD1 4.06Å; I241-Y269 HydrophobicContact CD1-CE1 3.52Å; I241-Y269 HydrophobicContact CG1-CE1 4.44Å; I241-Y269 HydrophobicContact CG2-CD1 4.09Å; I241-Y269 HydrophobicContact CG2-CE1 4.33Å; P244-Y269 HydrophobicContact CB-CD1 3.76Å; P244-Y269 HydrophobicContact CB-CE1 4.21Å; P244-Y269 HydrophobicContact CG-CD1 3.87Å; P244-Y269 HydrophobicContact CG-CG 4.36Å; L252-Y269 HydrophobicContact CD1-CE1 4.14Å; L252-Y269 WeakPolarHBondContact CD1-OH 3.31Å; I267-Y269 HydrophobicContact CG2-CE1 4.16Å; I267-Y269 HydrophobicContact CG2-CE2 4.22Å |
| 270 | V | 96.7 | Very high | 94.9 | Very high | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 143.4 | 170.6 | -60 | 0 | 0 | 0 | 0 | 110 | I240 I241 V242 H243 P244 E275 L276 I279 | I240-V270 HydrophobicContact CG2-CG1 3.99Å; I240-V270 HydrophobicContact CG2-CG2 3.71Å; I241-V270 PolarHBondContact O-N 2.83Å; V242-V270 HydrophobicContact CB-CG2 3.99Å; V242-V270 HydrophobicContact CG1-CG2 4.1Å; V242-V270 HydrophobicContact CG2-CG2 3.61Å; H243-V270 PolarHBondContact N-O 3.07Å; P244-V270 WeakPolarHBondContact CD-O 3.5Å; V270-E275 VanDerWaalsContact CA-OE2 3.28Å; V270-E275 WeakPolarHBondContact CA-OE2 3.27Å; V270-E275 HydrophobicContact CB-CB 3.94Å; V270-E275 WeakPolarHBondContact CB-OE2 3.41Å; V270-E275 HydrophobicContact CG1-CB 4.18Å; V270-L276 HydrophobicContact CG2-CB 4.34Å; V270-I279 HydrophobicContact CG1-CD1 3.57Å |
| 271 | H | 94.5 | Very high | 95.2 | Very high | 92 Ų | 92 | 59.7 Ų | 59.7 | 43% | 0.426 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -104.2 | -9.9 | -169.9 | -71.5 | -84.4 | 0 | 0 | 0 | 113.7 | H243 E275 | H243-H271 PolarHBondContact CE1-O 2.92Å; H243-H271 PolarHBondContact ND1-O 3.28Å; H271-E275 PolarHBondContact N-OE2 3.29Å |
| 272 | S | 95.6 | Very high | 95.4 | Very high | 15 Ų | 15 | 58 Ų | 58 | 11% | 0.105 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -140.2 | 162.2 | 175.7 | 64.8 | 0 | 0 | 0 | 0 | 112.5 | E275 L276 D295 | S272-E275 WeakPolarHBondContact OG-CG 3.37Å; S272-E275 PolarHBondContact OG-N 3.23Å; S272-E275 VanDerWaalsContact OG-N 3.09Å; S272-L276 PolarHBondContact O-N 3.12Å; S272-D295 VanDerWaalsContact CA-OD1 3.24Å; S272-D295 WeakPolarHBondContact CA-OD1 3.41Å |
| 273 | L | 96.5 | Very high | 95.4 | Very high | 26 Ų | 26 | 56.8 Ų | 56.8 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.6 | -24.3 | 169.3 | -66.1 | 173.9 | 0 | 0 | 0 | 112 | V242 L276 G277 I287 I291 D295 | V242-L273 HydrophobicContact CG1-CD2 4.11Å; L273-L276 HydrophobicContact CD2-CD2 4.34Å; L273-L276 WeakPolarHBondContact O-CB 3.31Å; L273-L276 PolarHBondContact O-N 3.02Å; L273-G277 PolarHBondContact O-N 3.12Å; L273-I287 HydrophobicContact CD1-CG2 3.88Å; L273-I287 HydrophobicContact CD2-CD1 3.88Å; L273-I287 HydrophobicContact CD2-CG1 4.27Å; L273-I287 HydrophobicContact CD2-CG2 4.24Å; L273-I291 HydrophobicContact CD2-CG2 4.48Å; L273-D295 HydrophobicContact CD1-CB 3.86Å; L273-D295 HydrophobicContact CG-CB 4.07Å; L273-D295 PolarHBondContact N-OD1 3.35Å |
| 274 | Q | 96.8 | Very high | 95.4 | Very high | 143 Ų | 143 | 63.7 Ų | 63.7 | 67% | 0.668 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.9 | -51.6 | 172.7 | -179 | 179.2 | -4.1 | 0 | 0 | 111.1 | L276 G277 E278 | Q274-L276 PolarHBondContact O-N 3.02Å; Q274-G277 WeakPolarHBondContact O-CA 3.21Å; Q274-G277 PolarHBondContact O-N 3.3Å; Q274-E278 PolarHBondContact O-N 3.19Å; Q274-E278 VanDerWaalsContact O-N 3.14Å |
| 275 | E | 97.1 | Very high | 95.6 | Very high | 69 Ų | 69 | 63.3 Ų | 63.3 | 32% | 0.322 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.2 | -33.6 | 175.4 | -76.3 | 168.6 | -140.9 | 0 | 0 | 112.2 | V270 H271 S272 I279 | V270-E275 VanDerWaalsContact CA-OE2 3.28Å; V270-E275 WeakPolarHBondContact CA-OE2 3.27Å; V270-E275 HydrophobicContact CB-CB 3.94Å; V270-E275 WeakPolarHBondContact CB-OE2 3.41Å; V270-E275 HydrophobicContact CG1-CB 4.18Å; H271-E275 PolarHBondContact N-OE2 3.29Å; S272-E275 WeakPolarHBondContact OG-CG 3.37Å; S272-E275 PolarHBondContact OG-N 3.23Å; S272-E275 VanDerWaalsContact OG-N 3.09Å; E275-I279 WeakPolarHBondContact O-CD1 3.42Å; E275-I279 WeakPolarHBondContact O-CG1 3.37Å |
| 276 | L | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.4 | -44.4 | 173.8 | -179.9 | 67.8 | 0 | 0 | 0 | 111.4 | V204 L206 I240 V242 V270 S272 L273 Q274 E278 I279 I280 M282 | V204-L276 HydrophobicContact CG1-CD1 3.99Å; V204-L276 HydrophobicContact CG1-CD2 3.92Å; V204-L276 HydrophobicContact CG2-CD1 4.18Å; L206-L276 HydrophobicContact CD2-CD2 4.46Å; I240-L276 HydrophobicContact CB-CD1 4.43Å; I240-L276 HydrophobicContact CD1-CD1 4.13Å; I240-L276 HydrophobicContact CG2-CD1 3.78Å; V242-L276 HydrophobicContact CG2-CD1 4.06Å; V242-L276 HydrophobicContact CG2-CD2 3.97Å; V242-L276 HydrophobicContact CG2-CG 4.44Å; V270-L276 HydrophobicContact CG2-CB 4.34Å; S272-L276 PolarHBondContact O-N 3.12Å; L273-L276 HydrophobicContact CD2-CD2 4.34Å; L273-L276 WeakPolarHBondContact O-CB 3.31Å; L273-L276 PolarHBondContact O-N 3.02Å; Q274-L276 PolarHBondContact O-N 3.02Å; L276-E278 PolarHBondContact O-N 3.13Å; L276-I279 PolarHBondContact O-N 2.97Å; L276-I280 HydrophobicContact CD1-CD1 3.82Å; L276-I280 HydrophobicContact CD1-CG1 3.87Å; L276-I280 HydrophobicContact CD2-CD1 4.43Å; L276-I280 HydrophobicContact CG-CD1 4.07Å; L276-I280 HydrophobicContact CG-CG1 3.98Å; L276-I280 WeakPolarHBondContact O-CG1 3.5Å; L276-I280 PolarHBondContact O-N 3.25Å; L276-M282 HydrophobicContact CD2-CE 3.82Å; L276-M282 HydrophobicContact CD2-SD 3.68Å; L276-M282 HydrophobicContact CG-CE 4.47Å; L276-M282 HydrophobicContact CG-SD 3.8Å |
| 277 | G | 96.6 | Very high | 95.6 | Very high | 36 Ų | 36 | 63.5 Ų | 63.5 | 37% | 0.371 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.2 | -19.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L273 Q274 I279 | L273-G277 PolarHBondContact O-N 3.12Å; Q274-G277 WeakPolarHBondContact O-CA 3.21Å; Q274-G277 PolarHBondContact O-N 3.3Å; G277-I279 VanDerWaalsContact C-N 3.27Å |
| 278 | E | 96.6 | Very high | 95.6 | Very high | 144 Ų | 144 | 62.2 Ų | 62.2 | 67% | 0.673 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -18.3 | 170.3 | -67.1 | 172.3 | -172.9 | 0 | 0 | 112.7 | Q274 L276 | Q274-E278 PolarHBondContact O-N 3.19Å; Q274-E278 VanDerWaalsContact O-N 3.14Å; L276-E278 PolarHBondContact O-N 3.13Å |
| 279 | I | 95.7 | Very high | 95.4 | Very high | 26 Ų | 26 | 61.9 Ų | 61.9 | 13% | 0.133 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -35.7 | -175.4 | -56.5 | 162.5 | 0 | 0 | 0 | 111.5 | Y156 M202 M238 I240 K268 V270 E275 L276 G277 | Y156-I279 WeakPolarHBondContact CE2-O 2.95Å; M202-I279 HydrophobicContact CE-CG2 4.26Å; M238-I279 HydrophobicContact CE-CG2 4.44Å; M238-I279 HydrophobicContact SD-CG2 3.87Å; I240-I279 HydrophobicContact CD1-CB 4.38Å; I240-I279 HydrophobicContact CD1-CG2 3.7Å; K268-I279 HydrophobicContact CD-CD1 3.89Å; K268-I279 VanDerWaalsContact NZ-CD1 3.34Å; V270-I279 HydrophobicContact CG1-CD1 3.57Å; E275-I279 WeakPolarHBondContact O-CD1 3.42Å; E275-I279 WeakPolarHBondContact O-CG1 3.37Å; L276-I279 PolarHBondContact O-N 2.97Å; G277-I279 VanDerWaalsContact C-N 3.27Å |
| 280 | I | 95.6 | Very high | 95.2 | Very high | 5 Ų | 5 | 60.1 Ų | 60.1 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -136 | 152.3 | -177.2 | 60.8 | 162.6 | 0 | 0 | 0 | 112.2 | Y156 I162 M202 V204 I240 L276 M282 V285 | Y156-I280 HydrophobicContact CD2-CB 4.48Å; Y156-I280 HydrophobicContact CD2-CG2 4.17Å; I162-I280 HydrophobicContact CD1-CB 4.07Å; I162-I280 HydrophobicContact CD1-CD1 4.34Å; I162-I280 HydrophobicContact CD1-CG2 4.39Å; I162-I280 HydrophobicContact CG2-CD1 4.01Å; M202-I280 HydrophobicContact CE-CG2 3.58Å; M202-I280 HydrophobicContact SD-CG2 4.1Å; V204-I280 HydrophobicContact CG2-CD1 3.47Å; V204-I280 VanDerWaalsContact CG2-CD1 3.47Å; I240-I280 HydrophobicContact CD1-CG2 4.11Å; L276-I280 HydrophobicContact CD1-CD1 3.82Å; L276-I280 HydrophobicContact CD1-CG1 3.87Å; L276-I280 HydrophobicContact CD2-CD1 4.43Å; L276-I280 HydrophobicContact CG-CD1 4.07Å; L276-I280 HydrophobicContact CG-CG1 3.98Å; L276-I280 WeakPolarHBondContact O-CG1 3.5Å; L276-I280 PolarHBondContact O-N 3.25Å; I280-M282 HydrophobicContact CD1-SD 4.17Å; I280-M282 HydrophobicContact CG1-SD 4.06Å; I280-V285 HydrophobicContact CD1-CG2 4.08Å |
| 281 | P | 94.9 | Very high | 95.1 | Very high | 41 Ų | 41 | 60 Ų | 60 | 27% | 0.266 | 30% | 0.304 | S | S | . | . | trans | -61.4 | 137.4 | 167.3 | 25.4 | -31.4 | 0 | 0 | 0 | 110.2 | Y155 I162 E283 V285 | Y155-P281 WeakPolarHBondContact O-CG 3.48Å; I162-P281 HydrophobicContact CD1-CG 3.88Å; P281-E283 WeakPolarHBondContact CB-OE2 3.48Å; P281-V285 WeakPolarHBondContact O-CG2 3.19Å | ||
| 282 | M | 94.9 | Very high | 95.1 | Very high | 57 Ų | 57 | 59.9 Ų | 59.9 | 28% | 0.281 | 31% | 0.305 | S | S | . | . | trans | -107.5 | -2.7 | -173.1 | -69.1 | -66 | -66.4 | 0 | 0 | 113.4 | L276 I280 Y284 V285 I287 | L276-M282 HydrophobicContact CD2-CE 3.82Å; L276-M282 HydrophobicContact CD2-SD 3.68Å; L276-M282 HydrophobicContact CG-CE 4.47Å; L276-M282 HydrophobicContact CG-SD 3.8Å; I280-M282 HydrophobicContact CD1-SD 4.17Å; I280-M282 HydrophobicContact CG1-SD 4.06Å; M282-Y284 VanDerWaalsContact C-N 3.26Å; M282-Y284 PolarHBondContact O-N 3.43Å; M282-V285 HydrophobicContact CE-CB 4.14Å; M282-V285 HydrophobicContact CE-CG1 4.05Å; M282-V285 PolarHBondContact O-N 3.32Å; M282-V285 HydrophobicContact SD-CB 4.15Å; M282-V285 HydrophobicContact SD-CG1 4.29Å; M282-V285 HydrophobicContact SD-CG2 4.12Å; M282-I287 HydrophobicContact CE-CD1 4.03Å; M282-I287 HydrophobicContact CE-CG1 4.14Å | ||
| 283 | E | 91.4 | Very high | 94.9 | Very high | 146 Ų | 146 | 66.8 Ų | 66.8 | 68% | 0.682 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -34.7 | -170 | -57.1 | 83.6 | -169 | 0 | 0 | 112.9 | P281 | P281-E283 WeakPolarHBondContact CB-OE2 3.48Š|
| 284 | Y | 91.9 | Very high | 94.7 | Very high | 173 Ų | 173 | 67.5 Ų | 67.5 | 68% | 0.678 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | 4.1 | -177.6 | -55.5 | -74.1 | 0 | 0 | 0 | 113.3 | M282 H286 | M282-Y284 VanDerWaalsContact C-N 3.26Å; M282-Y284 PolarHBondContact O-N 3.43Å; Y284-H286 PolarHBondContact O-N 3.43Å |
| 285 | V | 95.5 | Very high | 94.5 | Very high | 12 Ų | 12 | 61.8 Ų | 61.8 | 7% | 0.073 | 31% | 0.313 | C | S | . | . | trans | -82.7 | 105 | 179.9 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | V164 I280 P281 M282 I287 | V164-V285 HydrophobicContact CG2-CG1 3.97Å; I280-V285 HydrophobicContact CD1-CG2 4.08Å; P281-V285 WeakPolarHBondContact O-CG2 3.19Å; M282-V285 HydrophobicContact CE-CB 4.14Å; M282-V285 HydrophobicContact CE-CG1 4.05Å; M282-V285 PolarHBondContact O-N 3.32Å; M282-V285 HydrophobicContact SD-CB 4.15Å; M282-V285 HydrophobicContact SD-CG1 4.29Å; M282-V285 HydrophobicContact SD-CG2 4.12Å; V285-I287 HydrophobicContact CG1-CD1 3.6Å; V285-I287 HydrophobicContact CG1-CG1 4.36Å; V285-I287 PolarHBondContact O-N 3.41Å | ||
| 286 | H | 94.3 | Very high | 94.2 | Very high | 121 Ų | 121 | 65.5 Ų | 65.5 | 56% | 0.56 | 33% | 0.328 | S | S | * | . | trans | -76.5 | 105.5 | 177.6 | -178.9 | -81.5 | 0 | 0 | 0 | 111.7 | Y284 | Y284-H286 PolarHBondContact O-N 3.43Š| ||
| 287 | I | 96.1 | Very high | 93.5 | Very high | 26 Ų | 26 | 67.8 Ų | 67.8 | 13% | 0.133 | 35% | 0.351 | C | S | . | . | trans | -89.4 | 122.3 | 177.1 | -54.7 | -59.2 | 0 | 0 | 0 | 111 | L206 L273 M282 V285 I291 M292 | L206-I287 HydrophobicContact CD1-CD1 3.79Å; L206-I287 HydrophobicContact CD2-CD1 4.08Å; L273-I287 HydrophobicContact CD1-CG2 3.88Å; L273-I287 HydrophobicContact CD2-CD1 3.88Å; L273-I287 HydrophobicContact CD2-CG1 4.27Å; L273-I287 HydrophobicContact CD2-CG2 4.24Å; M282-I287 HydrophobicContact CE-CD1 4.03Å; M282-I287 HydrophobicContact CE-CG1 4.14Å; V285-I287 HydrophobicContact CG1-CD1 3.6Å; V285-I287 HydrophobicContact CG1-CG1 4.36Å; V285-I287 PolarHBondContact O-N 3.41Å; I287-I291 HydrophobicContact CG2-CB 3.98Å; I287-I291 HydrophobicContact CG2-CG2 4.07Å; I287-M292 HydrophobicContact CB-CG 4.34Å; I287-M292 HydrophobicContact CG2-CG 3.72Å | ||
| 288 | P | 95.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.006 | 35% | 0.353 | C | S | . | . | trans | -61.3 | 142.9 | 175.2 | -21.2 | 31.5 | 0 | 0 | 0 | 112.7 | A166 F169 S290 I291 M292 | A166-P288 HydrophobicContact CB-CG 3.89Å; F169-P288 HydrophobicContact CE2-CB 4.19Å; F169-P288 HydrophobicContact CE2-CG 3.68Å; F169-P288 HydrophobicContact CZ-CB 3.87Å; F169-P288 HydrophobicContact CZ-CG 3.9Å; P288-S290 PolarHBondContact O-N 3.39Å; P288-S290 VanDerWaalsContact O-N 3.12Å; P288-I291 HydrophobicContact CB-CD1 4.4Å; P288-I291 HydrophobicContact CB-CG1 4.13Å; P288-I291 HydrophobicContact CG-CD1 3.98Å; P288-I291 HydrophobicContact CG-CG1 4.25Å; P288-I291 WeakPolarHBondContact O-CB 3.41Å; P288-I291 PolarHBondContact O-N 2.97Å; P288-M292 PolarHBondContact O-N 2.99Å | ||
| 289 | P | 94 | Very high | 90.5 | Very high | 85 Ų | 85 | 67.8 Ų | 67.8 | 55% | 0.552 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -57.7 | -31.6 | -178.8 | -27.4 | 34.5 | 0 | 0 | 0 | 114.5 | I291 M292 K293 | P289-I291 VanDerWaalsContact C-N 3.26Å; P289-I291 PolarHBondContact O-N 2.81Å; P289-M292 PolarHBondContact O-N 3.24Å; P289-K293 WeakPolarHBondContact O-CG 3.36Å; P289-K293 PolarHBondContact O-N 3.02Å; P289-K293 VanDerWaalsContact O-N 3.13Å |
| 290 | S | 92.6 | Very high | 88.3 | Confident | 43 Ų | 43 | 70.7 Ų | 70.7 | 30% | 0.301 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.4 | -33.8 | 175.7 | 51.4 | 0 | 0 | 0 | 0 | 112.3 | P288 V294 | P288-S290 PolarHBondContact O-N 3.39Å; P288-S290 VanDerWaalsContact O-N 3.12Å; S290-V294 PolarHBondContact O-N 2.9Å |
| 291 | I | 93.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -77.5 | -42.4 | 180 | -55.1 | -163.5 | 0 | 0 | 0 | 110.1 | L206 G208 L273 I287 P288 P289 K293 V294 D295 | L206-I291 HydrophobicContact CB-CD1 3.38Å; L206-I291 HydrophobicContact CD1-CD1 4.16Å; L206-I291 HydrophobicContact CG-CD1 4.34Å; G208-I291 WeakPolarHBondContact O-CG1 3.28Å; L273-I291 HydrophobicContact CD2-CG2 4.48Å; I287-I291 HydrophobicContact CG2-CB 3.98Å; I287-I291 HydrophobicContact CG2-CG2 4.07Å; P288-I291 HydrophobicContact CB-CD1 4.4Å; P288-I291 HydrophobicContact CB-CG1 4.13Å; P288-I291 HydrophobicContact CG-CD1 3.98Å; P288-I291 HydrophobicContact CG-CG1 4.25Å; P288-I291 WeakPolarHBondContact O-CB 3.41Å; P288-I291 PolarHBondContact O-N 2.97Å; P289-I291 VanDerWaalsContact C-N 3.26Å; P289-I291 PolarHBondContact O-N 2.81Å; I291-K293 PolarHBondContact O-N 2.9Å; I291-V294 PolarHBondContact O-N 3.32Å; I291-D295 PolarHBondContact O-N 3.49Å |
| 292 | M | 94.5 | Very high | 85.2 | Confident | 89 Ų | 89 | 81 Ų | 81 | 44% | 0.438 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -56.5 | -36.8 | 172.7 | -60.1 | 179.6 | 74.5 | 0 | 0 | 112.2 | I287 P288 P289 K296 | I287-M292 HydrophobicContact CB-CG 4.34Å; I287-M292 HydrophobicContact CG2-CG 3.72Å; P288-M292 PolarHBondContact O-N 2.99Å; P289-M292 PolarHBondContact O-N 3.24Å; M292-K296 WeakPolarHBondContact O-CG 3.23Å; M292-K296 PolarHBondContact O-N 3.43Å; M292-K296 VanDerWaalsContact O-N 3.15Å |
| 293 | K | 92.5 | Very high | 84.7 | Confident | 160 Ų | 160 | 82.2 Ų | 82.2 | 70% | 0.696 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -66 | -42.5 | 175.4 | -72.5 | 175.9 | -177.2 | -175.8 | 0 | 112.1 | P289 I291 G297 | P289-K293 WeakPolarHBondContact O-CG 3.36Å; P289-K293 PolarHBondContact O-N 3.02Å; P289-K293 VanDerWaalsContact O-N 3.13Å; I291-K293 PolarHBondContact O-N 2.9Å; K293-G297 PolarHBondContact O-N 3.28Å; K293-G297 VanDerWaalsContact O-N 3.08Å |
| 294 | V | 91.4 | Very high | 84.3 | Confident | 40 Ų | 40 | 78.7 Ų | 78.7 | 24% | 0.242 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -66.3 | -40.8 | 177.9 | 168 | 0 | 0 | 0 | 0 | 111.4 | A209 S290 I291 G297 K298 | A209-V294 HydrophobicContact CB-CG2 3.71Å; S290-V294 PolarHBondContact O-N 2.9Å; I291-V294 PolarHBondContact O-N 3.32Å; V294-G297 PolarHBondContact O-N 3.36Å; V294-K298 HydrophobicContact CG1-CD 4.11Å; V294-K298 WeakPolarHBondContact O-CG 3.41Å; V294-K298 PolarHBondContact O-N 2.75Å |
| 295 | D | 93.2 | Very high | 83.9 | Confident | 24 Ų | 24 | 73.1 Ų | 73.1 | 13% | 0.128 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -59.2 | -52.9 | 177.5 | -168.4 | 63.7 | 0 | 0 | 0 | 110.9 | H243 S272 L273 I291 G297 K298 S299 | H243-D295 IonicContact CE1-OD1 2.83Å; H243-D295 PolarHBondContact CE1-OD1 3.28Å; H243-D295 IonicContact NE2-OD1 3.11Å; H243-D295 PolarHBondContact NE2-OD1 3.42Å; S272-D295 VanDerWaalsContact CA-OD1 3.24Å; S272-D295 WeakPolarHBondContact CA-OD1 3.41Å; L273-D295 HydrophobicContact CD1-CB 3.86Å; L273-D295 HydrophobicContact CG-CB 4.07Å; L273-D295 PolarHBondContact N-OD1 3.35Å; I291-D295 PolarHBondContact O-N 3.49Å; D295-G297 VanDerWaalsContact C-N 3.31Å; D295-G297 PolarHBondContact O-N 3.49Å; D295-K298 PolarHBondContact O-N 2.97Å; D295-S299 PolarHBondContact O-N 3.48Å; D295-S299 PolarHBondContact O-OG 3.27Å |
| 296 | K | 90.5 | Very high | 83.1 | Confident | 147 Ų | 147 | 76.9 Ų | 76.9 | 64% | 0.639 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -57 | -40.3 | 175.5 | -70.7 | 178.3 | -178.3 | -171.6 | 0 | 113.7 | M292 K298 | M292-K296 WeakPolarHBondContact O-CG 3.23Å; M292-K296 PolarHBondContact O-N 3.43Å; M292-K296 VanDerWaalsContact O-N 3.15Å; K296-K298 VanDerWaalsContact C-N 3.29Å; K296-K298 PolarHBondContact O-N 3.48Å |
| 297 | G | 81.4 | Confident | 82.4 | Confident | 47 Ų | 47 | 74 Ų | 74 | 49% | 0.485 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -70 | -25 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | K293 V294 D295 | K293-G297 PolarHBondContact O-N 3.28Å; K293-G297 VanDerWaalsContact O-N 3.08Å; V294-G297 PolarHBondContact O-N 3.36Å; D295-G297 VanDerWaalsContact C-N 3.31Å; D295-G297 PolarHBondContact O-N 3.49Å |
| 298 | K | 69.8 | Low | 81.4 | Confident | 97 Ų | 97 | 77.4 Ų | 77.4 | 42% | 0.422 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -89.5 | -30.5 | 177.4 | -74.5 | -177.8 | 175.8 | -176 | 0 | 113.2 | V294 D295 K296 A300 | V294-K298 HydrophobicContact CG1-CD 4.11Å; V294-K298 WeakPolarHBondContact O-CG 3.41Å; V294-K298 PolarHBondContact O-N 2.75Å; D295-K298 PolarHBondContact O-N 2.97Å; K296-K298 VanDerWaalsContact C-N 3.29Å; K296-K298 PolarHBondContact O-N 3.48Å; K298-A300 PolarHBondContact O-N 3.43Å |
| 299 | S | 60.9 | Low | 80.3 | Confident | 84 Ų | 84 | 83.3 Ų | 83.3 | 59% | 0.587 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -10.5 | 173.1 | -57.5 | 0 | 0 | 0 | 0 | 113.5 | D295 | D295-S299 PolarHBondContact O-N 3.48Å; D295-S299 PolarHBondContact O-OG 3.27Å |
| 300 | A | 50.7 | Low | 79.2 | Confident | 86 Ų | 86 | 83.2 Ų | 83.2 | 71% | 0.711 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 6.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | K298 | K298-A300 PolarHBondContact O-N 3.43Š|
| 301 | V | 38.9 | Very low | 78 | Confident | 181 Ų | 181 | 86.8 Ų | 86.8 | 100% | 1.097 | 50% | 0.495 | S | S | * | . | trans | -123.5 | 0 | 179 | -176.5 | 0 | 0 | 0 | 0 | 108.7 |
Retrieved 301 of 301 residues in 213.6 ms
(Link to these results)