| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40 | Very low | 32.2 | Very low | 234 Ų | 234 | 133.2 Ų | 133.2 | 100% | 1.153 | 78% | 0.781 | S | S | * | * | 0 | 45 | 0 | -151.2 | -174.1 | -29.7 | 0 | 0 | 112.2 | |||||
| 2 | K | 28.3 | Very low | 32.3 | Very low | 191 Ų | 191 | 135.4 Ų | 135.4 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | trans | -139.4 | 2.2 | 174.7 | -79 | -171.6 | 174 | -177.5 | 0 | 113.4 | ||||
| 3 | A | 28.4 | Very low | 32.4 | Very low | 91 Ų | 91 | 136.6 Ų | 136.6 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -101.8 | -1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 4 | L | 32.1 | Very low | 32 | Very low | 163 Ų | 163 | 138.8 Ų | 138.8 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -100.9 | -1.7 | -179.8 | -97.8 | 148.6 | 0 | 0 | 0 | 113.9 | ||
| 5 | I | 35.8 | Very low | 32 | Very low | 138 Ų | 138 | 140.3 Ų | 140.3 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -97.7 | -18.7 | 178.6 | -67.5 | 167.1 | 0 | 0 | 0 | 111.7 | ||
| 6 | F | 31.8 | Very low | 31.8 | Very low | 176 Ų | 176 | 138.4 Ų | 138.4 | 77% | 0.772 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -90.1 | -7.8 | 179.8 | -89.4 | -81.1 | 0 | 0 | 0 | 115.2 | ||
| 7 | A | 31.8 | Very low | 31.8 | Very low | 79 Ų | 79 | 137.4 Ų | 137.4 | 65% | 0.653 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -85.9 | -12.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 8 | A | 31.3 | Very low | 31.4 | Very low | 89 Ų | 89 | 140.9 Ų | 140.9 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -91 | -8.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 9 | A | 32.8 | Very low | 31.3 | Very low | 78 Ų | 78 | 140.4 Ų | 140.4 | 65% | 0.645 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -98.4 | -3.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 10 | G | 30.6 | Very low | 31.1 | Very low | 60 Ų | 60 | 142.4 Ų | 142.4 | 62% | 0.619 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -91.8 | -2.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 11 | L | 31.9 | Very low | 30.9 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -110.9 | 15.2 | -174.1 | -118.3 | 93 | 0 | 0 | 0 | 115 | ||
| 12 | L | 32.7 | Very low | 30.2 | Very low | 160 Ų | 160 | 133.5 Ų | 133.5 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -108.9 | 11.4 | 175.2 | -87 | 162.4 | 0 | 0 | 0 | 113.8 | ||
| 13 | L | 33.8 | Very low | 30.2 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -129.3 | 57.1 | -179.3 | -73.2 | 173.1 | 0 | 0 | 0 | 112.9 | ||||
| 14 | L | 26.7 | Very low | 30.1 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -134.6 | 74.1 | 158.1 | -71.8 | 176.5 | 0 | 0 | 0 | 109.7 | ||||
| 15 | L | 31.6 | Very low | 30.2 | Very low | 161 Ų | 161 | 137.2 Ų | 137.2 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | -66.4 | 140.2 | 143.2 | -90.3 | 141.4 | 0 | 0 | 0 | 107.7 | ||||
| 16 | P | 29.8 | Very low | 29.9 | Very low | 111 Ų | 111 | 138 Ų | 138 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | trans | -108.4 | 112.6 | 137.2 | 15.6 | 1 | 0 | 0 | 0 | 108.1 | F18 | P16-F18 PolarHBondContact O-N 3.23Š| ||
| 17 | T | 31 | Very low | 30 | Very low | 121 Ų | 121 | 135 Ų | 135 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | -40.9 | 121.6 | 142.9 | 43.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 18 | F | 25.6 | Very low | 30.2 | Very low | 201 Ų | 201 | 137.6 Ų | 137.6 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | trans | -147.9 | 101.5 | 145.8 | -111.9 | -81.6 | 0 | 0 | 0 | 109 | P16 | P16-F18 PolarHBondContact O-N 3.23Š| ||
| 19 | C | 28.9 | Very low | 30.2 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | trans | -126.1 | 102.3 | 160.3 | -153.2 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 20 | Q | 27.5 | Very low | 30.3 | Very low | 180 Ų | 180 | 145.9 Ų | 145.9 | 84% | 0.841 | 82% | 0.815 | S | S | * | * | trans | -157.1 | 106.3 | 153.5 | -145.5 | 156.5 | -11.4 | 0 | 0 | 110.6 | ||||
| 21 | S | 26.6 | Very low | 30.3 | Very low | 111 Ų | 111 | 147.4 Ų | 147.4 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | 26.5 | 109.4 | 135.2 | -175.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 22 | G | 24.4 | Very low | 30.3 | Very low | 78 Ų | 78 | 148.4 Ų | 148.4 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -133.2 | 107.8 | 147.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | E24 | G22-E24 PolarHBondContact O-N 3.18Š| ||
| 23 | M | 29.4 | Very low | 30.2 | Very low | 185 Ų | 185 | 147 Ų | 147 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | trans | -69.4 | 119.9 | 162.9 | -81.2 | 171 | 55.1 | 0 | 0 | 107.7 | ||||
| 24 | E | 26.2 | Very low | 29.9 | Very low | 183 Ų | 183 | 146 Ų | 146 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | trans | -145.2 | 119.5 | 152.9 | -153 | 162 | 179.8 | 0 | 0 | 108.6 | G22 | G22-E24 PolarHBondContact O-N 3.18Š| ||
| 25 | N | 33.6 | Very low | 29.9 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 83% | 0.829 | 82% | 0.817 | S | S | * | * | trans | -62.2 | 128.4 | 171.3 | -91.3 | -21.8 | 0 | 0 | 0 | 108.2 | ||||
| 26 | D | 29.2 | Very low | 29.7 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | trans | -144.9 | 113.1 | 146 | -102.3 | -27.7 | 0 | 0 | 0 | 112.3 | ||||
| 27 | T | 33.9 | Very low | 29.6 | Very low | 112 Ų | 112 | 147.6 Ų | 147.6 | 69% | 0.687 | 82% | 0.816 | S | S | * | * | trans | -57.8 | 143.1 | 167.6 | 7.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 28 | N | 36 | Very low | 29.5 | Very low | 133 Ų | 133 | 151.9 Ų | 151.9 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | trans | 62.5 | 108.9 | 154.1 | -57.9 | -22.1 | 0 | 0 | 0 | 117.3 | ||||
| 29 | N | 32.4 | Very low | 29.7 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 87% | 0.872 | 82% | 0.818 | S | S | * | * | -179.5 | 120.8 | 111.3 | -86.5 | -38.3 | 0 | 0 | 0 | 111.4 | A31 | N29-A31 PolarHBondContact O-N 2.81Š| |||
| 30 | L | 34.4 | Very low | 29.9 | Very low | 179 Ų | 179 | 152.2 Ų | 152.2 | 94% | 0.937 | 82% | 0.821 | S | S | * | * | trans | -70.6 | 89.6 | 176.2 | -172.9 | 77.6 | 0 | 0 | 0 | 110 | ||||
| 31 | A | 30.9 | Very low | 30 | Very low | 92 Ų | 92 | 155.1 Ų | 155.1 | 76% | 0.76 | 82% | 0.824 | S | S | * | * | trans | -86.4 | 110.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | N29 | N29-A31 PolarHBondContact O-N 2.81Š| ||
| 32 | K | 32.3 | Very low | 30.6 | Very low | 187 Ų | 187 | 153.9 Ų | 153.9 | 81% | 0.813 | 83% | 0.829 | S | S | * | * | trans | -57.5 | 133.7 | 168.2 | -106.2 | 172.8 | 174.7 | 174.1 | 0 | 110.3 | T34 | K32-T34 PolarHBondContact O-N 2.87Š| ||
| 33 | P | 30.1 | Very low | 30.9 | Very low | 130 Ų | 130 | 154.7 Ų | 154.7 | 84% | 0.844 | 83% | 0.828 | S | S | * | * | trans | -76.9 | 113 | 160.1 | 9.7 | 4.2 | 0 | 0 | 0 | 109.1 | ||||
| 34 | T | 27.9 | Very low | 31 | Very low | 129 Ų | 129 | 151.7 Ų | 151.7 | 79% | 0.791 | 82% | 0.822 | S | S | * | * | trans | -74 | 115.7 | 170.6 | 8 | 0 | 0 | 0 | 0 | 109.8 | K32 | K32-T34 PolarHBondContact O-N 2.87Š| ||
| 35 | L | 27.3 | Very low | 31.8 | Very low | 158 Ų | 158 | 148.1 Ų | 148.1 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | trans | -92.4 | 113.3 | 166 | -164.5 | 83.4 | 0 | 0 | 0 | 108.9 | I37 | L35-I37 PolarHBondContact O-N 3.44Š| ||
| 36 | H | 26.6 | Very low | 31.9 | Very low | 181 Ų | 181 | 148.1 Ų | 148.1 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | trans | -68.5 | 114.3 | 173.6 | -88.7 | -85.6 | 0 | 0 | 0 | 110.9 | ||||
| 37 | I | 27.8 | Very low | 31.8 | Very low | 134 Ų | 134 | 146.4 Ų | 146.4 | 69% | 0.687 | 82% | 0.815 | S | S | * | * | trans | -96.1 | 113.7 | 166.4 | -62.1 | 172.5 | 0 | 0 | 0 | 107.6 | L35 T39 | L35-I37 PolarHBondContact O-N 3.44Å; I37-T39 HydrophobicContact CG2-CG2 3.95Å; I37-T39 PolarHBondContact O-N 3.28Å | ||
| 38 | K | 28 | Very low | 31.8 | Very low | 212 Ų | 212 | 150.9 Ų | 150.9 | 92% | 0.922 | 83% | 0.825 | S | S | * | * | trans | -79.4 | 104.9 | 164.4 | -87.5 | -178.3 | 174.2 | 178.6 | 0 | 108.4 | ||||
| 39 | T | 31.2 | Very low | 31.5 | Very low | 124 Ų | 124 | 153.1 Ų | 153.1 | 76% | 0.761 | 83% | 0.832 | S | S | * | * | trans | -93.9 | 129.5 | 163 | 44.7 | 0 | 0 | 0 | 0 | 110.5 | I37 R41 | I37-T39 HydrophobicContact CG2-CG2 3.95Å; I37-T39 PolarHBondContact O-N 3.28Å; T39-R41 PolarHBondContact O-N 3.32Å | ||
| 40 | F | 32 | Very low | 31.4 | Very low | 214 Ų | 214 | 154.4 Ų | 154.4 | 94% | 0.939 | 83% | 0.833 | S | S | * | * | trans | -85.9 | 92.6 | 176 | -147.5 | -89.4 | 0 | 0 | 0 | 109.2 | ||||
| 41 | R | 30.9 | Very low | 31.1 | Very low | 242 Ų | 242 | 154.5 Ų | 154.5 | 91% | 0.913 | 83% | 0.826 | S | S | * | * | trans | -174.2 | 127.7 | 149.7 | -107.4 | -179.8 | -157.6 | -148.3 | 4.6 | 108.7 | T39 | T39-R41 PolarHBondContact O-N 3.32Š| ||
| 42 | G | 38.9 | Very low | 30.9 | Very low | 84 Ų | 84 | 155.2 Ų | 155.2 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | trans | -83.3 | 135.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 43 | A | 29 | Very low | 30.8 | Very low | 95 Ų | 95 | 155.3 Ų | 155.3 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | trans | -170.8 | 154.7 | 146.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 44 | P | 32.4 | Very low | 30.9 | Very low | 122 Ų | 122 | 154.4 Ų | 154.4 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | trans | -84.2 | 168 | -159.7 | 0.2 | 19.2 | 0 | 0 | 0 | 114.6 | ||||
| 45 | P | 43.2 | Very low | 31.1 | Very low | 109 Ų | 109 | 152.8 Ų | 152.8 | 71% | 0.708 | 82% | 0.82 | S | S | * | * | trans | -78.5 | 160.8 | -176.8 | 35.9 | -33 | 0 | 0 | 0 | 111.3 | ||||
| 46 | D | 35.4 | Very low | 31.3 | Very low | 155 Ų | 155 | 153 Ų | 153 | 83% | 0.829 | 82% | 0.821 | S | S | * | * | trans | 110.6 | 89.6 | 167.2 | -53.9 | -24.4 | 0 | 0 | 0 | 115 | ||||
| 47 | S | 28 | Very low | 31.5 | Very low | 120 Ų | 120 | 154 Ų | 154 | 84% | 0.839 | 83% | 0.826 | S | S | * | * | trans | -177.6 | 112.9 | 138.4 | 29.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 48 | F | 34 | Very low | 32.1 | Very low | 205 Ų | 205 | 151.4 Ų | 151.4 | 90% | 0.899 | 83% | 0.832 | S | S | * | * | trans | -83 | 131.2 | 160.8 | -79.5 | -95.4 | 0 | 0 | 0 | 107.8 | ||||
| 49 | E | 28.1 | Very low | 32 | Very low | 180 Ų | 180 | 151.7 Ų | 151.7 | 84% | 0.841 | 83% | 0.828 | S | S | * | * | trans | -125.7 | 117.5 | 153.2 | -98.5 | -175.7 | 164 | 0 | 0 | 107.9 | ||||
| 50 | E | 31.8 | Very low | 32 | Very low | 191 Ų | 191 | 152.2 Ų | 152.2 | 89% | 0.893 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 125.7 | 172.7 | -73.8 | -179.9 | 151.9 | 0 | 0 | 109.7 | ||
| 51 | F | 27 | Very low | 32.2 | Very low | 180 Ų | 180 | 145.8 Ų | 145.8 | 79% | 0.789 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 128.3 | 163.9 | -99.9 | -89.6 | 0 | 0 | 0 | 109.7 | ||
| 52 | P | 28 | Very low | 32.1 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 70% | 0.695 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -77 | 133.1 | -174.1 | 28.7 | -29.9 | 0 | 0 | 0 | 111.8 | S54 | P52-S54 VanDerWaalsContact C-N 3.31Å; P52-S54 PolarHBondContact O-N 3.29Å; P52-S54 VanDerWaalsContact O-N 3.09Å |
| 53 | F | 30.1 | Very low | 31.5 | Very low | 189 Ų | 189 | 140.1 Ų | 140.1 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -85.6 | 43.5 | -166.7 | -124.9 | -84.7 | 0 | 0 | 0 | 114.3 | ||
| 54 | S | 32.2 | Very low | 31.3 | Very low | 112 Ų | 112 | 142.3 Ų | 142.3 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | -113.9 | 13 | -175.7 | 57.1 | 0 | 0 | 0 | 0 | 115.7 | P52 | P52-S54 VanDerWaalsContact C-N 3.31Å; P52-S54 PolarHBondContact O-N 3.29Å; P52-S54 VanDerWaalsContact O-N 3.09Å | ||
| 55 | A | 30.9 | Very low | 30.9 | Very low | 94 Ų | 94 | 141.9 Ų | 141.9 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -127.7 | 18 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 56 | L | 31.6 | Very low | 30.2 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | -133.2 | 88.8 | 171.1 | -93.3 | 153.2 | 0 | 0 | 0 | 110.7 | ||||
| 57 | E | 30.6 | Very low | 29.7 | Very low | 202 Ų | 202 | 143.9 Ų | 143.9 | 94% | 0.944 | 80% | 0.8 | S | S | * | * | trans | -61.3 | 129.7 | 155 | -79.4 | -178.7 | 145.1 | 0 | 0 | 108.9 | ||||
| 58 | G | 40 | Very low | 29.9 | Very low | 80 Ų | 80 | 144 Ų | 144 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | 119 | 43.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 59 | W | 27.1 | Very low | 29.6 | Very low | 219 Ų | 219 | 143.2 Ų | 143.2 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | trans | -140.6 | 91.2 | 164.4 | -155.1 | 32.1 | 0 | 0 | 0 | 111.3 | G61 | W59-G61 PolarHBondContact O-N 3.46Š| ||
| 60 | T | 30.9 | Very low | 29.8 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 83% | 0.828 | 77% | 0.771 | S | S | * | * | trans | -72.3 | 109.3 | 162.1 | 47.3 | 0 | 0 | 0 | 0 | 107.7 | A62 | T60-A62 PolarHBondContact O-N 3.29Š| ||
| 61 | G | 37 | Very low | 29.9 | Very low | 78 Ų | 78 | 133.5 Ų | 133.5 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -57.7 | 98.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | W59 | W59-G61 PolarHBondContact O-N 3.46Š| ||
| 62 | A | 27.5 | Very low | 30.4 | Very low | 74 Ų | 74 | 134.9 Ų | 134.9 | 61% | 0.612 | 77% | 0.765 | S | S | * | * | trans | -127.1 | 111.1 | 153 | 0 | 0 | 0 | 0 | 0 | 105.8 | T60 I64 | T60-A62 PolarHBondContact O-N 3.29Å; A62-I64 VanDerWaalsContact C-N 3.35Å; A62-I64 PolarHBondContact O-N 3.49Å | ||
| 63 | T | 27.2 | Very low | 30.6 | Very low | 133 Ų | 133 | 139.2 Ų | 139.2 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | trans | -57.4 | 105.9 | 161.8 | -46.7 | 0 | 0 | 0 | 0 | 106 | T65 | T63-T65 PolarHBondContact O-N 3.2Š| ||
| 64 | I | 25.4 | Very low | 30.9 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 73% | 0.728 | 76% | 0.757 | S | S | * | * | trans | -69.6 | 86 | 171.5 | -54.6 | 177.5 | 0 | 0 | 0 | 105.8 | A62 V66 | A62-I64 VanDerWaalsContact C-N 3.35Å; A62-I64 PolarHBondContact O-N 3.49Å; I64-V66 VanDerWaalsContact C-N 3.3Å; I64-V66 HydrophobicContact CG2-CG2 3.65Å; I64-V66 PolarHBondContact O-N 3.07Å; I64-V66 VanDerWaalsContact O-N 3.11Å | ||
| 65 | T | 24.1 | Very low | 31.4 | Very low | 113 Ų | 113 | 132 Ų | 132 | 69% | 0.693 | 76% | 0.755 | S | S | * | * | trans | -62.2 | 105.1 | 147.8 | 34.2 | 0 | 0 | 0 | 0 | 104.5 | T63 K67 | T63-T65 PolarHBondContact O-N 3.2Å; T65-K67 PolarHBondContact O-N 2.97Å | ||
| 66 | V | 27.8 | Very low | 32 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 70% | 0.697 | 74% | 0.736 | S | S | * | * | trans | -69.8 | 74.5 | 164.3 | -174.9 | 0 | 0 | 0 | 0 | 106.1 | I64 I68 | I64-V66 VanDerWaalsContact C-N 3.3Å; I64-V66 HydrophobicContact CG2-CG2 3.65Å; I64-V66 PolarHBondContact O-N 3.07Å; I64-V66 VanDerWaalsContact O-N 3.11Å; V66-I68 VanDerWaalsContact C-N 3.31Å; V66-I68 HydrophobicContact CG1-CG1 3.82Å; V66-I68 PolarHBondContact O-N 3Å | ||
| 67 | K | 25.2 | Very low | 32.6 | Very low | 190 Ų | 190 | 127.4 Ų | 127.4 | 83% | 0.826 | 72% | 0.719 | S | S | * | * | trans | -72.1 | 99.5 | 155.4 | -119.9 | -177.9 | 179.8 | -180 | 0 | 103.6 | T65 K69 | T65-K67 PolarHBondContact O-N 2.97Å; K67-K69 PolarHBondContact O-N 3.3Å | ||
| 68 | I | 31.9 | Very low | 33.6 | Very low | 123 Ų | 123 | 118.3 Ų | 118.3 | 63% | 0.631 | 68% | 0.676 | S | S | * | * | trans | -62.1 | 93.5 | 166.5 | -56.8 | 176.5 | 0 | 0 | 0 | 105 | V66 C70 | V66-I68 VanDerWaalsContact C-N 3.31Å; V66-I68 HydrophobicContact CG1-CG1 3.82Å; V66-I68 PolarHBondContact O-N 3Å; I68-C70 PolarHBondContact O-N 3.15Å | ||
| 69 | K | 26.4 | Very low | 34 | Very low | 188 Ų | 188 | 121.4 Ų | 121.4 | 82% | 0.817 | 67% | 0.669 | S | S | * | * | trans | -83.9 | 103 | 171.3 | -171.3 | 172.9 | -175.9 | -177.7 | 0 | 105.1 | K67 P71 | K67-K69 PolarHBondContact O-N 3.3Å; K69-P71 WeakPolarHBondContact O-CD 3.21Å | ||
| 70 | C | 32.8 | Very low | 35.3 | Very low | 78 Ų | 78 | 112.2 Ų | 112.2 | 53% | 0.527 | 64% | 0.637 | S | S | . | * | trans | -59.9 | 117.7 | 174.2 | -59.9 | 0 | 0 | 0 | 0 | 108.4 | I68 | I68-C70 PolarHBondContact O-N 3.15Š| ||
| 71 | P | 33.4 | Very low | 36.7 | Very low | 90 Ų | 90 | 110 Ų | 110 | 58% | 0.584 | 62% | 0.616 | S | S | * | * | trans | -69.6 | 135.2 | 167.8 | -8.3 | 25.4 | 0 | 0 | 0 | 107.9 | K69 E73 | K69-P71 WeakPolarHBondContact O-CD 3.21Å; P71-E73 PolarHBondContact O-N 3.37Å | ||
| 72 | E | 37.8 | Very low | 37.6 | Very low | 208 Ų | 208 | 113.4 Ų | 113.4 | 97% | 0.972 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | 15.6 | -176.4 | -105.4 | 175.4 | 163.8 | 0 | 0 | 115 | ||
| 73 | E | 33.3 | Very low | 39 | Very low | 198 Ų | 198 | 113 Ų | 113 | 93% | 0.925 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.2 | 11.7 | -177.6 | -108.8 | 176 | 176.5 | 0 | 0 | 116.6 | P71 | P71-E73 PolarHBondContact O-N 3.37Š|
| 74 | S | 36.8 | Very low | 40.6 | Very low | 62 Ų | 62 | 107.8 Ų | 107.8 | 43% | 0.434 | 58% | 0.58 | S | S | . | * | trans | -144.5 | 63.5 | 179.1 | 66.9 | 0 | 0 | 0 | 0 | 114 | S76 | S74-S76 PolarHBondContact O-N 3.22Å; S74-S76 VanDerWaalsContact O-N 3.16Å | ||
| 75 | A | 41.7 | Very low | 42.3 | Very low | 88 Ų | 88 | 103.1 Ų | 103.1 | 73% | 0.727 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | 47.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 76 | S | 43.3 | Very low | 44.2 | Very low | 54 Ų | 54 | 99.8 Ų | 99.8 | 38% | 0.378 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.9 | 3.5 | -174 | 54.3 | 0 | 0 | 0 | 0 | 115.6 | S74 Y236 | S74-S76 PolarHBondContact O-N 3.22Å; S74-S76 VanDerWaalsContact O-N 3.16Å; S76-Y236 WeakPolarHBondContact O-CD1 3.34Å |
| 77 | H | 43.7 | Very low | 46.1 | Very low | 106 Ų | 106 | 95.2 Ų | 95.2 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | trans | -125.7 | 88.1 | -173 | -63.1 | -62.3 | 0 | 0 | 0 | 110.9 | V238 | H77-V238 HydrophobicContact CB-CG2 3.5Å; H77-V238 VanDerWaalsContact CB-CG2 3.5Å; H77-V238 WeakPolarHBondContact ND1-CG2 3.33Å | ||
| 78 | L | 51.9 | Low | 48.1 | Very low | 11 Ų | 11 | 86.3 Ų | 86.3 | 6% | 0.058 | 48% | 0.476 | C | S | . | . | B | Isolated β-bridge | trans | -85 | 124.4 | 175.3 | -145.9 | 84.9 | 0 | 0 | 0 | 111.2 | L237 V248 D250 T251 | L78-L237 HydrophobicContact CB-CD2 3.83Å; L78-L237 HydrophobicContact CD2-CD2 4.31Å; L78-V248 HydrophobicContact CD2-CG1 3.28Å; L78-D250 HydrophobicContact CD1-CB 4.28Å; L78-D250 WeakPolarHBondContact CD1-OD1 3.4Å; L78-T251 WeakPolarHBondContact CD1-OG1 3.16Å |
| 79 | H | 48.5 | Very low | 49.9 | Very low | 145 Ų | 145 | 85.1 Ų | 85.1 | 67% | 0.671 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -88.6 | 120.5 | 170 | -79.7 | -83.7 | 0 | 0 | 0 | 110.2 | ||
| 80 | V | 55.4 | Low | 52.4 | Low | 26 Ų | 26 | 77.7 Ų | 77.7 | 16% | 0.158 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -98.3 | 140.4 | -170.3 | -178.8 | 0 | 0 | 0 | 0 | 111.2 | T84 M85 L237 | V80-T84 VanDerWaalsContact CG1-CB 3.44Å; V80-T84 HydrophobicContact CG1-CG2 3.62Å; V80-M85 HydrophobicContact CB-CE 4.22Å; V80-L237 HydrophobicContact CG2-CD1 3.96Å; V80-L237 HydrophobicContact CG2-CD2 3.58Å; V80-L237 HydrophobicContact CG2-CG 4.25Å |
| 81 | K | 59.2 | Low | 54.6 | Low | 89 Ų | 89 | 77.1 Ų | 77.1 | 39% | 0.387 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -65 | 148.2 | 174.3 | -71.1 | 172.2 | -178 | 171.1 | 0 | 111.5 | A83 T84 M85 N332 D334 | K81-A83 PolarHBondContact O-N 3.28Å; K81-A83 VanDerWaalsContact O-N 3.09Å; K81-T84 PolarHBondContact O-N 3.39Å; K81-T84 VanDerWaalsContact O-N 3.08Å; K81-M85 PolarHBondContact O-N 3.2Å; K81-M85 VanDerWaalsContact O-N 3.15Å; K81-N332 PolarHBondContact NZ-O 2.91Å; K81-D334 WeakPolarHBondContact CD-OD2 3.18Å; K81-D334 IonicContact NZ-OD2 3.46Å; K81-D334 PolarHBondContact NZ-OD2 3.2Å |
| 82 | N | 55.5 | Low | 56.6 | Low | 148 Ų | 148 | 74.4 Ų | 74.4 | 79% | 0.791 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -54.7 | -32.1 | -179.1 | -73.4 | -5.7 | 0 | 0 | 0 | 114.4 | G86 | N82-G86 PolarHBondContact O-N 3.4Å |
| 83 | A | 58.1 | Low | 58.6 | Low | 65 Ų | 65 | 64.5 Ų | 64.5 | 54% | 0.537 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.6 | -43.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K81 M85 G86 Y87 D334 | K81-A83 PolarHBondContact O-N 3.28Å; K81-A83 VanDerWaalsContact O-N 3.09Å; A83-M85 VanDerWaalsContact C-N 3.35Å; A83-G86 PolarHBondContact O-N 3.49Å; A83-Y87 PolarHBondContact O-N 3.06Å; A83-D334 HydrophobicContact CB-CB 4.49Å |
| 84 | T | 60.1 | Low | 61 | Low | 25 Ų | 25 | 56.6 Ų | 56.6 | 15% | 0.153 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.3 | -37.1 | 176.9 | -48.5 | 0 | 0 | 0 | 0 | 111.1 | V80 K81 Y87 L88 V248 | V80-T84 VanDerWaalsContact CG1-CB 3.44Å; V80-T84 HydrophobicContact CG1-CG2 3.62Å; K81-T84 PolarHBondContact O-N 3.39Å; K81-T84 VanDerWaalsContact O-N 3.08Å; T84-Y87 PolarHBondContact O-N 2.98Å; T84-L88 HydrophobicContact CG2-CD1 4.27Å; T84-L88 WeakPolarHBondContact O-CG 3.45Å; T84-L88 PolarHBondContact O-N 3.49Å; T84-V248 HydrophobicContact CG2-CG2 4.5Å |
| 85 | M | 61.4 | Low | 63.4 | Low | 44 Ų | 44 | 60.3 Ų | 60.3 | 22% | 0.217 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.8 | -44 | 173.2 | -167.4 | 69 | 68.1 | 0 | 0 | 112.6 | V80 K81 A83 Y87 L88 T89 Q239 P240 | V80-M85 HydrophobicContact CB-CE 4.22Å; K81-M85 PolarHBondContact O-N 3.2Å; K81-M85 VanDerWaalsContact O-N 3.15Å; A83-M85 VanDerWaalsContact C-N 3.35Å; M85-Y87 PolarHBondContact O-N 2.98Å; M85-L88 PolarHBondContact O-N 3.41Å; M85-T89 PolarHBondContact O-N 2.89Å; M85-T89 PolarHBondContact O-OG1 3.43Å; M85-Q239 HydrophobicContact CE-CB 4.26Å; M85-Q239 WeakPolarHBondContact CE-O 3.3Å; M85-P240 HydrophobicContact SD-CB 4Å; M85-P240 VanDerWaalsContact SD-CD 3.55Å; M85-P240 HydrophobicContact SD-CG 3.83Å |
| 86 | G | 62.9 | Low | 65.6 | Low | 43 Ų | 43 | 60.1 Ų | 60.1 | 44% | 0.443 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.8 | -30.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | N82 A83 T89 S90 | N82-G86 PolarHBondContact O-N 3.4Å; A83-G86 PolarHBondContact O-N 3.49Å; G86-T89 PolarHBondContact O-OG1 3.24Å; G86-S90 WeakPolarHBondContact O-CB 3.14Å; G86-S90 PolarHBondContact O-N 3.45Å |
| 87 | Y | 68.8 | Low | 67.7 | Low | 18 Ų | 18 | 57.7 Ų | 57.7 | 7% | 0.071 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -72.8 | -50 | 173.3 | 162.1 | -95.6 | 0 | 0 | 0 | 112.6 | A83 T84 M85 T89 S90 S93 I97 Y337 L341 | A83-Y87 PolarHBondContact O-N 3.06Å; T84-Y87 PolarHBondContact O-N 2.98Å; M85-Y87 PolarHBondContact O-N 2.98Å; Y87-T89 PolarHBondContact O-N 2.99Å; Y87-T89 VanDerWaalsContact O-N 3.07Å; Y87-S90 VanDerWaalsContact O-CB 3.27Å; Y87-S90 WeakPolarHBondContact O-CB 3.34Å; Y87-S90 PolarHBondContact O-N 3.03Å; Y87-S90 PolarHBondContact O-OG 3.43Å; Y87-S93 VanDerWaalsContact CZ-CB 3.5Å; Y87-S93 WeakPolarHBondContact O-CB 3.42Å; Y87-S93 PolarHBondContact OH-OG 3.37Å; Y87-I97 HydrophobicContact CE2-CD1 4.45Å; Y87-I97 WeakPolarHBondContact OH-CD1 3.34Å; Y87-Y337 HydrophobicContact CD1-CD1 4.09Å; Y87-Y337 AromaticContact CD1-CE1 3.47Å; Y87-Y337 HydrophobicContact CD1-CE1 3.47Å; Y87-Y337 VanDerWaalsContact CD1-CE1 3.47Å; Y87-Y337 HydrophobicContact CD2-CD1 4.35Å; Y87-Y337 HydrophobicContact CD2-CE1 4.25Å; Y87-Y337 HydrophobicContact CE1-CD1 4.44Å; Y87-Y337 AromaticContact CE1-CE1 3.49Å; Y87-Y337 HydrophobicContact CE1-CE1 3.49Å; Y87-Y337 VanDerWaalsContact CE1-CE1 3.49Å; Y87-Y337 HydrophobicContact CE2-CE1 4.26Å; Y87-Y337 HydrophobicContact CG-CD1 4.03Å; Y87-Y337 AromaticContact CG-CE1 3.86Å; Y87-Y337 HydrophobicContact CG-CE1 3.86Å; Y87-Y337 AromaticContact CZ-CE1 3.89Å; Y87-L341 HydrophobicContact CD2-CD1 3.95Å; Y87-L341 HydrophobicContact CE1-CD1 3.99Å; Y87-L341 HydrophobicContact CE2-CD1 3.12Å; Y87-L341 WeakPolarHBondContact OH-CD1 3.41Å |
| 88 | L | 66.8 | Low | 70 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.7 | -26.2 | -175.5 | -73 | 166.1 | 0 | 0 | 0 | 111.9 | T84 M85 N157 L237 I242 T244 | T84-L88 HydrophobicContact CG2-CD1 4.27Å; T84-L88 WeakPolarHBondContact O-CG 3.45Å; T84-L88 PolarHBondContact O-N 3.49Å; M85-L88 PolarHBondContact O-N 3.41Å; L88-N157 HydrophobicContact CD2-CB 3.95Å; L88-N157 PolarHBondContact O-ND2 3.48Å; L88-L237 HydrophobicContact CD1-CD1 3.89Å; L88-I242 HydrophobicContact CD1-CD1 4.29Å; L88-I242 HydrophobicContact CD2-CD1 4.39Å; L88-T244 HydrophobicContact CD2-CG2 4.24Å |
| 89 | T | 70.6 | Confident | 71.9 | Confident | 98 Ų | 98 | 55 Ų | 55 | 60% | 0.601 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -4.1 | 177.5 | 55.1 | 0 | 0 | 0 | 0 | 113.8 | M85 G86 Y87 | M85-T89 PolarHBondContact O-N 2.89Å; M85-T89 PolarHBondContact O-OG1 3.43Å; G86-T89 PolarHBondContact O-OG1 3.24Å; Y87-T89 PolarHBondContact O-N 2.99Å; Y87-T89 VanDerWaalsContact O-N 3.07Å |
| 90 | S | 78 | Confident | 73.9 | Confident | 31 Ų | 31 | 50.1 Ų | 50.1 | 22% | 0.217 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -72.3 | 149.3 | -174.6 | 72.2 | 0 | 0 | 0 | 0 | 113.3 | G86 Y87 L92 S93 T94 | G86-S90 WeakPolarHBondContact O-CB 3.14Å; G86-S90 PolarHBondContact O-N 3.45Å; Y87-S90 VanDerWaalsContact O-CB 3.27Å; Y87-S90 WeakPolarHBondContact O-CB 3.34Å; Y87-S90 PolarHBondContact O-N 3.03Å; Y87-S90 PolarHBondContact O-OG 3.43Å; S90-L92 PolarHBondContact O-N 3.16Å; S90-S93 PolarHBondContact O-N 2.67Å; S90-S93 PolarHBondContact OG-N 2.99Å; S90-T94 PolarHBondContact O-N 3.28Å; S90-T94 PolarHBondContact O-OG1 2.94Å |
| 91 | S | 78.9 | Confident | 75.7 | Confident | 67 Ų | 67 | 49.1 Ų | 49.1 | 47% | 0.469 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.9 | -18.2 | 172 | -173.3 | 0 | 0 | 0 | 0 | 113.1 | K95 L96 | S91-K95 WeakPolarHBondContact O-CA 3.36Å; S91-K95 WeakPolarHBondContact O-CB 3.39Å; S91-K95 PolarHBondContact O-N 3.47Å; S91-K95 VanDerWaalsContact OG-CD 3.27Å; S91-K95 WeakPolarHBondContact OG-CD 3.34Å; S91-L96 PolarHBondContact O-N 3Å |
| 92 | L | 76.1 | Confident | 77.5 | Confident | 32 Ų | 32 | 49.1 Ų | 49.1 | 17% | 0.168 | 29% | 0.293 | C | S | . | . | I | π-helix | trans | -67.9 | -52.2 | 174.6 | -176.6 | 86.2 | 0 | 0 | 0 | 110.4 | S90 L96 I97 F338 | S90-L92 PolarHBondContact O-N 3.16Å; L92-L96 HydrophobicContact CD1-CB 4.07Å; L92-L96 HydrophobicContact CD1-CD2 3.36Å; L92-L96 HydrophobicContact CD1-CG 4.33Å; L92-L96 HydrophobicContact CG-CD2 4.45Å; L92-L96 WeakPolarHBondContact O-CB 3.44Å; L92-L96 PolarHBondContact O-N 3.12Å; L92-I97 PolarHBondContact O-N 2.93Å; L92-I97 VanDerWaalsContact O-N 3.07Å; L92-F338 HydrophobicContact CD1-CE2 3.83Å; L92-F338 HydrophobicContact CD1-CZ 4.49Å; L92-F338 HydrophobicContact CD2-CD2 3.23Å; L92-F338 HydrophobicContact CD2-CE2 3.23Å; L92-F338 HydrophobicContact CD2-CG 4.39Å; L92-F338 HydrophobicContact CD2-CZ 4.39Å; L92-F338 HydrophobicContact CG-CD2 4.49Å; L92-F338 HydrophobicContact CG-CE2 4.1Å |
| 93 | S | 78.8 | Confident | 79.4 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -64.4 | -46.2 | -178.8 | -170.3 | 0 | 0 | 0 | 0 | 111.5 | Y87 S90 P98 N157 | Y87-S93 VanDerWaalsContact CZ-CB 3.5Å; Y87-S93 WeakPolarHBondContact O-CB 3.42Å; Y87-S93 PolarHBondContact OH-OG 3.37Å; S90-S93 PolarHBondContact O-N 2.67Å; S90-S93 PolarHBondContact OG-N 2.99Å; S93-P98 WeakPolarHBondContact O-CD 3.28Å; S93-N157 PolarHBondContact OG-ND2 3.5Å; S93-N157 PolarHBondContact OG-OD1 3.4Å; S93-N157 VanDerWaalsContact OG-OD1 3.08Å |
| 94 | T | 84.3 | Confident | 81.1 | Confident | 32 Ų | 32 | 43.4 Ų | 43.4 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -86.4 | -15.2 | -172.3 | 55.4 | 0 | 0 | 0 | 0 | 114.6 | S90 P98 H153 | S90-T94 PolarHBondContact O-N 3.28Å; S90-T94 PolarHBondContact O-OG1 2.94Å; T94-P98 VanDerWaalsContact O-CG 3.28Å; T94-P98 WeakPolarHBondContact O-CG 3.25Å; T94-H153 WeakPolarHBondContact CA-O 3.41Å |
| 95 | K | 87.3 | Confident | 82.8 | Confident | 140 Ų | 140 | 45.4 Ų | 45.4 | 61% | 0.609 | 26% | 0.259 | S | S | * | . | I | π-helix | trans | -125.4 | -51.1 | 180 | -48.3 | -171.4 | -169.2 | 166.4 | 0 | 114.1 | S91 P98 A99 | S91-K95 WeakPolarHBondContact O-CA 3.36Å; S91-K95 WeakPolarHBondContact O-CB 3.39Å; S91-K95 PolarHBondContact O-N 3.47Å; S91-K95 VanDerWaalsContact OG-CD 3.27Å; S91-K95 WeakPolarHBondContact OG-CD 3.34Å; K95-P98 WeakPolarHBondContact O-CG 3.34Å; K95-A99 VanDerWaalsContact O-CB 3.24Å; K95-A99 WeakPolarHBondContact O-CB 3.36Å; K95-A99 PolarHBondContact O-N 3.19Å; K95-A99 VanDerWaalsContact O-N 3.13Å |
| 96 | L | 87.6 | Confident | 84.5 | Confident | 84 Ų | 84 | 47.5 Ų | 47.5 | 44% | 0.44 | 27% | 0.274 | S | S | . | . | I | π-helix | trans | -69.8 | -50.2 | -173.6 | -172.1 | 71.9 | 0 | 0 | 0 | 111.9 | S91 L92 A99 I100 | S91-L96 PolarHBondContact O-N 3Å; L92-L96 HydrophobicContact CD1-CB 4.07Å; L92-L96 HydrophobicContact CD1-CD2 3.36Å; L92-L96 HydrophobicContact CD1-CG 4.33Å; L92-L96 HydrophobicContact CG-CD2 4.45Å; L92-L96 WeakPolarHBondContact O-CB 3.44Å; L92-L96 PolarHBondContact O-N 3.12Å; L96-A99 WeakPolarHBondContact O-CB 3.45Å; L96-A99 PolarHBondContact O-N 2.96Å; L96-I100 HydrophobicContact CG-CD1 4.09Å; L96-I100 WeakPolarHBondContact O-CG1 3.47Å; L96-I100 PolarHBondContact O-N 3.45Å |
| 97 | I | 87.2 | Confident | 86.1 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.2 | -53 | 179 | -62.2 | -178.6 | 0 | 0 | 0 | 111.7 | Y87 L92 A99 I100 Y101 L341 | Y87-I97 HydrophobicContact CE2-CD1 4.45Å; Y87-I97 WeakPolarHBondContact OH-CD1 3.34Å; L92-I97 PolarHBondContact O-N 2.93Å; L92-I97 VanDerWaalsContact O-N 3.07Å; I97-A99 VanDerWaalsContact C-N 3.27Å; I97-A99 PolarHBondContact O-N 3.3Å; I97-I100 PolarHBondContact O-N 3.38Å; I97-I100 VanDerWaalsContact O-N 3.16Å; I97-Y101 HydrophobicContact CG2-CD2 3.76Å; I97-Y101 HydrophobicContact CG2-CE1 4.46Å; I97-Y101 HydrophobicContact CG2-CE2 3.31Å; I97-Y101 HydrophobicContact CG2-CG 4.48Å; I97-Y101 PolarHBondContact O-N 2.91Å; I97-L341 HydrophobicContact CD1-CB 4.17Å; I97-L341 HydrophobicContact CD1-CD1 4.28Å; I97-L341 HydrophobicContact CD1-CD2 4.24Å |
| 98 | P | 91.8 | Very high | 87.4 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.2 | -31.1 | 178.8 | 20.7 | -30.5 | 0 | 0 | 0 | 112.7 | S93 T94 K95 Y101 L102 I150 H153 L154 | S93-P98 WeakPolarHBondContact O-CD 3.28Å; T94-P98 VanDerWaalsContact O-CG 3.28Å; T94-P98 WeakPolarHBondContact O-CG 3.25Å; K95-P98 WeakPolarHBondContact O-CG 3.34Å; P98-Y101 PolarHBondContact O-N 3.3Å; P98-L102 WeakPolarHBondContact O-CB 3.22Å; P98-L102 PolarHBondContact O-N 2.75Å; P98-I150 HydrophobicContact CB-CG2 4.11Å; P98-H153 HydrophobicContact CB-CB 4.11Å; P98-H153 HydrophobicContact CG-CB 3.92Å; P98-L154 HydrophobicContact CB-CD2 4.03Å; P98-L154 HydrophobicContact CB-CG 4.03Å; P98-L154 HydrophobicContact CG-CD2 3.93Å; P98-L154 HydrophobicContact CG-CG 4.34Å |
| 99 | A | 92.6 | Very high | 88.9 | Confident | 56 Ų | 56 | 48.5 Ų | 48.5 | 46% | 0.463 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K95 L96 I97 L102 L103 | K95-A99 VanDerWaalsContact O-CB 3.24Å; K95-A99 WeakPolarHBondContact O-CB 3.36Å; K95-A99 PolarHBondContact O-N 3.19Å; K95-A99 VanDerWaalsContact O-N 3.13Å; L96-A99 WeakPolarHBondContact O-CB 3.45Å; L96-A99 PolarHBondContact O-N 2.96Å; I97-A99 VanDerWaalsContact C-N 3.27Å; I97-A99 PolarHBondContact O-N 3.3Å; A99-L102 PolarHBondContact O-N 2.95Å; A99-L103 PolarHBondContact O-N 3.1Å |
| 100 | I | 91.4 | Very high | 90.1 | Very high | 43 Ų | 43 | 47 Ų | 47 | 22% | 0.221 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.9 | -47 | 175.6 | -64.4 | 167.6 | 0 | 0 | 0 | 110.4 | L96 I97 L102 L103 V104 C345 | L96-I100 HydrophobicContact CG-CD1 4.09Å; L96-I100 WeakPolarHBondContact O-CG1 3.47Å; L96-I100 PolarHBondContact O-N 3.45Å; I97-I100 PolarHBondContact O-N 3.38Å; I97-I100 VanDerWaalsContact O-N 3.16Å; I100-L102 VanDerWaalsContact C-N 3.29Å; I100-L102 PolarHBondContact O-N 2.98Å; I100-L103 WeakPolarHBondContact O-CB 3.46Å; I100-L103 PolarHBondContact O-N 3.22Å; I100-L103 VanDerWaalsContact O-N 3.16Å; I100-V104 HydrophobicContact CG2-CG2 4.42Å; I100-V104 WeakPolarHBondContact O-CG2 3.34Å; I100-V104 PolarHBondContact O-N 3.23Å; I100-C345 HydrophobicContact CD1-CB 3.9Å; I100-C345 HydrophobicContact CG2-CB 4.09Å |
| 101 | Y | 93.3 | Very high | 90.9 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.4 | -35.5 | 177.8 | -68.3 | -19.2 | 0 | 0 | 0 | 112.7 | I97 P98 V104 F105 L146 K149 H153 F173 | I97-Y101 HydrophobicContact CG2-CD2 3.76Å; I97-Y101 HydrophobicContact CG2-CE1 4.46Å; I97-Y101 HydrophobicContact CG2-CE2 3.31Å; I97-Y101 HydrophobicContact CG2-CG 4.48Å; I97-Y101 PolarHBondContact O-N 2.91Å; P98-Y101 PolarHBondContact O-N 3.3Å; Y101-V104 PolarHBondContact O-N 3.48Å; Y101-F105 WeakPolarHBondContact O-CB 3.39Å; Y101-F105 PolarHBondContact O-N 3.18Å; Y101-L146 HydrophobicContact CD1-CD2 4.02Å; Y101-L146 HydrophobicContact CD2-CD2 4.39Å; Y101-L146 HydrophobicContact CG-CD2 3.96Å; Y101-K149 HydrophobicContact CD2-CB 4.24Å; Y101-K149 HydrophobicContact CE2-CB 4.29Å; Y101-K149 HydrophobicContact CE2-CD 4.11Å; Y101-H153 AromaticContact CE2-CD2 3.97Å; Y101-H153 AromaticContact CE2-NE2 3.86Å; Y101-F173 HydrophobicContact CE1-CE2 4.19Å; Y101-F173 AromaticContact CZ-CE2 3.98Å |
| 102 | L | 95.4 | Very high | 91.7 | Very high | 89 Ų | 89 | 43.4 Ų | 43.4 | 47% | 0.466 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.4 | -43.3 | 173.4 | -178.3 | 64.6 | 0 | 0 | 0 | 111.2 | P98 A99 I100 V104 F105 V106 I150 | P98-L102 WeakPolarHBondContact O-CB 3.22Å; P98-L102 PolarHBondContact O-N 2.75Å; A99-L102 PolarHBondContact O-N 2.95Å; I100-L102 VanDerWaalsContact C-N 3.29Å; I100-L102 PolarHBondContact O-N 2.98Å; L102-V104 VanDerWaalsContact C-N 3.34Å; L102-V104 PolarHBondContact O-N 3.23Å; L102-F105 HydrophobicContact CD1-CD1 4.48Å; L102-F105 PolarHBondContact O-N 2.72Å; L102-V106 HydrophobicContact CD1-CG2 4.19Å; L102-V106 HydrophobicContact CG-CG2 4.44Å; L102-V106 WeakPolarHBondContact O-CB 3.47Å; L102-V106 VanDerWaalsContact O-CG2 3.3Å; L102-V106 WeakPolarHBondContact O-CG2 2.94Å; L102-V106 PolarHBondContact O-N 3.25Å; L102-I150 HydrophobicContact CB-CD1 4.17Å; L102-I150 HydrophobicContact CD1-CD1 4.42Å |
| 103 | L | 95.2 | Very high | 92.7 | Very high | 93 Ų | 93 | 43.8 Ų | 43.8 | 49% | 0.487 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.7 | -45.5 | 173.5 | 179.6 | 122.2 | 0 | 0 | 0 | 111.1 | A99 I100 F105 V106 V107 L349 | A99-L103 PolarHBondContact O-N 3.1Å; I100-L103 WeakPolarHBondContact O-CB 3.46Å; I100-L103 PolarHBondContact O-N 3.22Å; I100-L103 VanDerWaalsContact O-N 3.16Å; L103-F105 VanDerWaalsContact C-N 3.32Å; L103-F105 PolarHBondContact O-N 3.21Å; L103-V106 PolarHBondContact O-N 3.5Å; L103-V107 HydrophobicContact CG-CG2 4.48Å; L103-V107 WeakPolarHBondContact O-CB 3.26Å; L103-V107 WeakPolarHBondContact O-CG2 3.14Å; L103-V107 PolarHBondContact O-N 3Å; L103-L349 HydrophobicContact CD2-CD2 3.78Å |
| 104 | V | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 177.6 | 175.5 | 0 | 0 | 0 | 0 | 111.6 | I100 Y101 L102 G108 F142 L146 L349 C352 | I100-V104 HydrophobicContact CG2-CG2 4.42Å; I100-V104 WeakPolarHBondContact O-CG2 3.34Å; I100-V104 PolarHBondContact O-N 3.23Å; Y101-V104 PolarHBondContact O-N 3.48Å; L102-V104 VanDerWaalsContact C-N 3.34Å; L102-V104 PolarHBondContact O-N 3.23Å; V104-G108 WeakPolarHBondContact O-CA 3.01Å; V104-G108 PolarHBondContact O-N 3.1Å; V104-F142 HydrophobicContact CG1-CE1 3.99Å; V104-L146 HydrophobicContact CB-CD1 3.8Å; V104-L146 HydrophobicContact CG1-CD1 3.42Å; V104-L146 VanDerWaalsContact CG1-CD1 3.42Å; V104-L349 HydrophobicContact CG2-CD2 3.83Å; V104-L349 HydrophobicContact CG2-CG 4.42Å; V104-C352 VanDerWaalsContact CA-SG 3.59Å |
| 105 | F | 96.4 | Very high | 93.7 | Very high | 67 Ų | 67 | 45.6 Ų | 45.6 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.7 | -53.1 | 175.2 | 171.3 | -107 | 0 | 0 | 0 | 111.6 | Y101 L102 L103 V107 V109 C143 L146 P147 I150 | Y101-F105 WeakPolarHBondContact O-CB 3.39Å; Y101-F105 PolarHBondContact O-N 3.18Å; L102-F105 HydrophobicContact CD1-CD1 4.48Å; L102-F105 PolarHBondContact O-N 2.72Å; L103-F105 VanDerWaalsContact C-N 3.32Å; L103-F105 PolarHBondContact O-N 3.21Å; F105-V107 VanDerWaalsContact C-N 3.3Å; F105-V107 PolarHBondContact O-N 3.36Å; F105-V109 HydrophobicContact CD2-CG2 3.6Å; F105-V109 HydrophobicContact CE2-CG2 3.71Å; F105-V109 HydrophobicContact CG-CG2 4.48Å; F105-V109 WeakPolarHBondContact O-CB 3.44Å; F105-V109 WeakPolarHBondContact O-CG2 3.48Å; F105-V109 PolarHBondContact O-N 3.46Å; F105-V109 VanDerWaalsContact O-N 3.13Å; F105-C143 WeakPolarHBondContact CD2-O 3.42Å; F105-L146 HydrophobicContact CB-CB 4.48Å; F105-P147 HydrophobicContact CD2-CG 3.82Å; F105-P147 HydrophobicContact CE2-CG 3.67Å; F105-P147 HydrophobicContact CG-CG 4.37Å; F105-P147 HydrophobicContact CZ-CG 4.12Å; F105-I150 HydrophobicContact CB-CD1 4.49Å |
| 106 | V | 97.1 | Very high | 94 | Very high | 88 Ų | 88 | 41 Ų | 41 | 53% | 0.533 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.7 | -33.7 | -175.4 | 171.9 | 0 | 0 | 0 | 0 | 112 | L102 L103 P110 | L102-V106 HydrophobicContact CD1-CG2 4.19Å; L102-V106 HydrophobicContact CG-CG2 4.44Å; L102-V106 WeakPolarHBondContact O-CB 3.47Å; L102-V106 VanDerWaalsContact O-CG2 3.3Å; L102-V106 WeakPolarHBondContact O-CG2 2.94Å; L102-V106 PolarHBondContact O-N 3.25Å; L103-V106 PolarHBondContact O-N 3.5Å; V106-P110 WeakPolarHBondContact O-CD 3.11Å; V106-P110 WeakPolarHBondContact O-CG 2.92Å |
| 107 | V | 96.1 | Very high | 94.2 | Very high | 55 Ų | 55 | 45.1 Ų | 45.1 | 33% | 0.333 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -90.1 | -46.8 | 178.8 | 178.3 | 0 | 0 | 0 | 0 | 111.5 | L103 F105 P110 A111 C352 | L103-V107 HydrophobicContact CG-CG2 4.48Å; L103-V107 WeakPolarHBondContact O-CB 3.26Å; L103-V107 WeakPolarHBondContact O-CG2 3.14Å; L103-V107 PolarHBondContact O-N 3Å; F105-V107 VanDerWaalsContact C-N 3.3Å; F105-V107 PolarHBondContact O-N 3.36Å; V107-P110 WeakPolarHBondContact O-CD 3.39Å; V107-P110 WeakPolarHBondContact O-CG 3.28Å; V107-A111 WeakPolarHBondContact O-CB 3.25Å; V107-A111 PolarHBondContact O-N 3.38Å; V107-A111 VanDerWaalsContact O-N 3.1Å; V107-C352 HydrophobicContact CG1-CB 4.08Å |
| 108 | G | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.2 | -42 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | V104 N112 | V104-G108 WeakPolarHBondContact O-CA 3.01Å; V104-G108 PolarHBondContact O-N 3.1Å; G108-N112 VanDerWaalsContact O-CB 3.31Å; G108-N112 WeakPolarHBondContact O-CB 3.44Å; G108-N112 PolarHBondContact O-N 2.62Å; G108-N112 PolarHBondContact O-ND2 3.34Å |
| 109 | V | 96.9 | Very high | 94 | Very high | 31 Ų | 31 | 48.1 Ų | 48.1 | 19% | 0.188 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.7 | -57.4 | 177.8 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | F105 A111 A113 F140 C143 V144 | F105-V109 HydrophobicContact CD2-CG2 3.6Å; F105-V109 HydrophobicContact CE2-CG2 3.71Å; F105-V109 HydrophobicContact CG-CG2 4.48Å; F105-V109 WeakPolarHBondContact O-CB 3.44Å; F105-V109 WeakPolarHBondContact O-CG2 3.48Å; F105-V109 PolarHBondContact O-N 3.46Å; F105-V109 VanDerWaalsContact O-N 3.13Å; V109-A111 PolarHBondContact O-N 3.45Å; V109-A113 VanDerWaalsContact O-CB 3.28Å; V109-A113 WeakPolarHBondContact O-CB 3.18Å; V109-A113 PolarHBondContact O-N 2.95Å; V109-F140 HydrophobicContact CG1-CD2 4.49Å; V109-F140 HydrophobicContact CG1-CE2 3.84Å; V109-C143 HydrophobicContact CG2-CB 3.58Å; V109-V144 HydrophobicContact CG2-CG1 4.08Å |
| 110 | P | 96.9 | Very high | 93.7 | Very high | 67 Ų | 67 | 53.5 Ų | 53.5 | 44% | 0.435 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.2 | -38.6 | -179.5 | 24.2 | -32.6 | 0 | 0 | 0 | 112.5 | V106 V107 N112 A113 V114 | V106-P110 WeakPolarHBondContact O-CD 3.11Å; V106-P110 WeakPolarHBondContact O-CG 2.92Å; V107-P110 WeakPolarHBondContact O-CD 3.39Å; V107-P110 WeakPolarHBondContact O-CG 3.28Å; P110-N112 PolarHBondContact O-N 3.37Å; P110-A113 PolarHBondContact O-N 2.9Å; P110-V114 WeakPolarHBondContact O-CB 3.49Å; P110-V114 VanDerWaalsContact O-CG2 3.25Å; P110-V114 WeakPolarHBondContact O-CG2 3.41Å; P110-V114 PolarHBondContact O-N 3.17Å |
| 111 | A | 94.9 | Very high | 93 | Very high | 20 Ų | 20 | 57.1 Ų | 57.1 | 17% | 0.165 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64 | -43 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V107 V109 T115 P355 | V107-A111 WeakPolarHBondContact O-CB 3.25Å; V107-A111 PolarHBondContact O-N 3.38Å; V107-A111 VanDerWaalsContact O-N 3.1Å; V109-A111 PolarHBondContact O-N 3.45Å; A111-T115 WeakPolarHBondContact O-CB 3.41Å; A111-T115 PolarHBondContact O-N 3.3Å; A111-T115 PolarHBondContact O-OG1 3.05Å; A111-P355 HydrophobicContact CB-CB 3.94Å; A111-P355 HydrophobicContact CB-CG 3.78Å |
| 112 | N | 96 | Very high | 92.1 | Very high | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.011 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -72.3 | -37.8 | 176.9 | -73.6 | -64.1 | 0 | 0 | 0 | 112 | G108 P110 V114 T115 L116 F140 S351 P355 | G108-N112 VanDerWaalsContact O-CB 3.31Å; G108-N112 WeakPolarHBondContact O-CB 3.44Å; G108-N112 PolarHBondContact O-N 2.62Å; G108-N112 PolarHBondContact O-ND2 3.34Å; P110-N112 PolarHBondContact O-N 3.37Å; N112-V114 PolarHBondContact O-N 3.16Å; N112-T115 WeakPolarHBondContact O-CB 3.22Å; N112-T115 PolarHBondContact O-N 3.4Å; N112-L116 WeakPolarHBondContact O-CG 3.4Å; N112-L116 PolarHBondContact O-N 3.09Å; N112-F140 HydrophobicContact CB-CB 4.11Å; N112-F140 HydrophobicContact CB-CD2 4.41Å; N112-S351 PolarHBondContact ND2-O 2.91Å; N112-P355 WeakPolarHBondContact OD1-CG 3.12Å |
| 113 | A | 95.6 | Very high | 90.3 | Very high | 41 Ų | 41 | 64.5 Ų | 64.5 | 34% | 0.339 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.2 | -45.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V109 P110 T115 L116 W117 F140 | V109-A113 VanDerWaalsContact O-CB 3.28Å; V109-A113 WeakPolarHBondContact O-CB 3.18Å; V109-A113 PolarHBondContact O-N 2.95Å; P110-A113 PolarHBondContact O-N 2.9Å; A113-T115 VanDerWaalsContact C-N 3.3Å; A113-T115 PolarHBondContact O-N 3.34Å; A113-L116 PolarHBondContact O-N 3.04Å; A113-W117 WeakPolarHBondContact O-CB 3.45Å; A113-W117 PolarHBondContact O-N 3.16Å; A113-F140 HydrophobicContact CB-CD2 4.45Å; A113-F140 HydrophobicContact CB-CE2 4.13Å |
| 114 | V | 93.3 | Very high | 89.1 | Confident | 66 Ų | 66 | 62 Ų | 62 | 40% | 0.4 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 175.1 | 170.4 | 0 | 0 | 0 | 0 | 111 | P110 N112 W117 M118 F359 | P110-V114 WeakPolarHBondContact O-CB 3.49Å; P110-V114 VanDerWaalsContact O-CG2 3.25Å; P110-V114 WeakPolarHBondContact O-CG2 3.41Å; P110-V114 PolarHBondContact O-N 3.17Å; N112-V114 PolarHBondContact O-N 3.16Å; V114-W117 PolarHBondContact O-N 2.86Å; V114-M118 HydrophobicContact CG1-CE 3.72Å; V114-M118 HydrophobicContact CG1-CG 4.44Å; V114-M118 HydrophobicContact CG1-SD 4.5Å; V114-M118 WeakPolarHBondContact O-CB 3.35Å; V114-M118 WeakPolarHBondContact O-CG 3.43Å; V114-M118 PolarHBondContact O-N 2.86Å; V114-F359 HydrophobicContact CG1-CZ 4.28Å |
| 115 | T | 91.9 | Very high | 88.1 | Confident | 3 Ų | 3 | 63.6 Ų | 63.6 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.2 | -46.5 | 177.6 | -61.6 | 0 | 0 | 0 | 0 | 111.5 | A111 N112 A113 M118 L119 A136 P355 Y358 | A111-T115 WeakPolarHBondContact O-CB 3.41Å; A111-T115 PolarHBondContact O-N 3.3Å; A111-T115 PolarHBondContact O-OG1 3.05Å; N112-T115 WeakPolarHBondContact O-CB 3.22Å; N112-T115 PolarHBondContact O-N 3.4Å; A113-T115 VanDerWaalsContact C-N 3.3Å; A113-T115 PolarHBondContact O-N 3.34Å; T115-M118 PolarHBondContact O-N 3.41Å; T115-L119 HydrophobicContact CG2-CD1 3.72Å; T115-L119 HydrophobicContact CG2-CG 4.37Å; T115-L119 WeakPolarHBondContact O-CB 3.36Å; T115-L119 WeakPolarHBondContact O-CD1 3.41Å; T115-L119 VanDerWaalsContact O-CG 3.22Å; T115-L119 WeakPolarHBondContact O-CG 3.32Å; T115-L119 PolarHBondContact O-N 2.97Å; T115-A136 HydrophobicContact CG2-CB 4.14Å; T115-P355 WeakPolarHBondContact OG1-CB 3.49Å; T115-Y358 HydrophobicContact CG2-CD1 4.19Å; T115-Y358 HydrophobicContact CG2-CG 4.47Å |
| 116 | L | 93.6 | Very high | 87.3 | Confident | 43 Ų | 43 | 64.2 Ų | 64.2 | 23% | 0.225 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60 | -46.5 | 175.4 | -70.7 | 170.3 | 0 | 0 | 0 | 111.8 | N112 A113 M118 L119 F120 T133 A136 I137 F140 | N112-L116 WeakPolarHBondContact O-CG 3.4Å; N112-L116 PolarHBondContact O-N 3.09Å; A113-L116 PolarHBondContact O-N 3.04Å; L116-M118 PolarHBondContact O-N 3.34Å; L116-L119 PolarHBondContact O-N 3.45Å; L116-F120 PolarHBondContact O-N 3.15Å; L116-F120 VanDerWaalsContact O-N 3.07Å; L116-T133 HydrophobicContact CD2-CG2 3.99Å; L116-A136 HydrophobicContact CD2-CB 3.67Å; L116-A136 HydrophobicContact CG-CB 3.81Å; L116-I137 HydrophobicContact CD2-CG1 3.87Å; L116-F140 HydrophobicContact CD1-CB 4.47Å |
| 117 | W | 91.8 | Very high | 86.7 | Confident | 171 Ų | 171 | 60 Ų | 60 | 65% | 0.648 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -55.3 | -51.5 | 174.7 | 178.3 | -91.2 | 0 | 0 | 0 | 111.2 | A113 V114 L119 F120 F121 | A113-W117 WeakPolarHBondContact O-CB 3.45Å; A113-W117 PolarHBondContact O-N 3.16Å; V114-W117 PolarHBondContact O-N 2.86Å; W117-L119 VanDerWaalsContact C-N 3.34Å; W117-L119 PolarHBondContact O-N 2.99Å; W117-F120 WeakPolarHBondContact O-CB 3.5Å; W117-F120 PolarHBondContact O-N 3.04Å; W117-F121 AromaticContact CD2-CD2 3.89Å; W117-F121 HydrophobicContact CD2-CD2 3.89Å; W117-F121 AromaticContact CD2-CE2 3.46Å; W117-F121 HydrophobicContact CD2-CE2 3.46Å; W117-F121 VanDerWaalsContact CD2-CE2 3.46Å; W117-F121 AromaticContact CE2-CD2 3.6Å; W117-F121 AromaticContact CE2-CE2 3.29Å; W117-F121 HydrophobicContact CE3-CD2 4.47Å; W117-F121 AromaticContact CE3-CE2 3.63Å; W117-F121 HydrophobicContact CE3-CE2 3.63Å; W117-F121 HydrophobicContact CE3-CZ 4.49Å; W117-F121 HydrophobicContact CG-CD2 4.16Å; W117-F121 HydrophobicContact CG-CE2 4.18Å; W117-F121 AromaticContact CH2-CE2 3.49Å; W117-F121 HydrophobicContact CH2-CE2 3.49Å; W117-F121 VanDerWaalsContact CH2-CE2 3.49Å; W117-F121 AromaticContact CH2-CZ 3.73Å; W117-F121 HydrophobicContact CH2-CZ 3.73Å; W117-F121 AromaticContact CZ2-CD2 3.96Å; W117-F121 HydrophobicContact CZ2-CD2 3.96Å; W117-F121 AromaticContact CZ2-CE2 3.32Å; W117-F121 HydrophobicContact CZ2-CE2 3.32Å; W117-F121 AromaticContact CZ2-CZ 3.84Å; W117-F121 HydrophobicContact CZ2-CZ 3.84Å; W117-F121 AromaticContact CZ3-CE2 3.64Å; W117-F121 HydrophobicContact CZ3-CE2 3.64Å; W117-F121 HydrophobicContact CZ3-CZ 4.08Å; W117-F121 AromaticContact NE1-CD2 3.71Å; W117-F121 AromaticContact NE1-CE2 3.91Å; W117-F121 WeakPolarHBondContact O-CD2 3.42Å; W117-F121 PolarHBondContact O-N 3.04Å |
| 118 | M | 88.3 | Confident | 86.1 | Confident | 65 Ų | 65 | 58.7 Ų | 58.7 | 32% | 0.32 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.3 | -35.4 | -179.1 | -71.8 | -163.3 | -170.3 | 0 | 0 | 113.8 | V114 T115 L116 F120 F121 R122 F359 | V114-M118 HydrophobicContact CG1-CE 3.72Å; V114-M118 HydrophobicContact CG1-CG 4.44Å; V114-M118 HydrophobicContact CG1-SD 4.5Å; V114-M118 WeakPolarHBondContact O-CB 3.35Å; V114-M118 WeakPolarHBondContact O-CG 3.43Å; V114-M118 PolarHBondContact O-N 2.86Å; T115-M118 PolarHBondContact O-N 3.41Å; L116-M118 PolarHBondContact O-N 3.34Å; M118-F120 VanDerWaalsContact C-N 3.27Å; M118-F120 PolarHBondContact O-N 3.08Å; M118-F121 PolarHBondContact O-N 3.32Å; M118-R122 WeakPolarHBondContact O-CB 3.45Å; M118-R122 PolarHBondContact O-N 3.35Å; M118-F359 HydrophobicContact CE-CE1 3.82Å; M118-F359 HydrophobicContact CE-CZ 3.78Å; M118-F359 HydrophobicContact SD-CE1 3.29Å; M118-F359 WeakPolarHBondContact SD-CE1 3.28Å; M118-F359 HydrophobicContact SD-CZ 3.45Å; M118-F359 WeakPolarHBondContact SD-CZ 3.25Å |
| 119 | L | 87.3 | Confident | 85.8 | Confident | 7 Ų | 7 | 59.9 Ų | 59.9 | 4% | 0.037 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67 | -31 | 177.1 | -75.6 | 166.5 | 0 | 0 | 0 | 112.1 | T115 L116 W117 T129 Y358 | T115-L119 HydrophobicContact CG2-CD1 3.72Å; T115-L119 HydrophobicContact CG2-CG 4.37Å; T115-L119 WeakPolarHBondContact O-CB 3.36Å; T115-L119 WeakPolarHBondContact O-CD1 3.41Å; T115-L119 VanDerWaalsContact O-CG 3.22Å; T115-L119 WeakPolarHBondContact O-CG 3.32Å; T115-L119 PolarHBondContact O-N 2.97Å; L116-L119 PolarHBondContact O-N 3.45Å; W117-L119 VanDerWaalsContact C-N 3.34Å; W117-L119 PolarHBondContact O-N 2.99Å; L119-T129 HydrophobicContact CB-CG2 4.33Å; L119-T129 HydrophobicContact CD2-CG2 4.1Å; L119-Y358 HydrophobicContact CD2-CE2 3.63Å; L119-Y358 WeakPolarHBondContact CD2-OH 3.22Å; L119-Y358 HydrophobicContact CG-CE2 4.48Å |
| 120 | F | 84.3 | Confident | 85.6 | Confident | 168 Ų | 168 | 59.3 Ų | 59.3 | 74% | 0.737 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -70 | -41.7 | 175.7 | -171.4 | -98.7 | 0 | 0 | 0 | 112.4 | L116 W117 M118 | L116-F120 PolarHBondContact O-N 3.15Å; L116-F120 VanDerWaalsContact O-N 3.07Å; W117-F120 WeakPolarHBondContact O-CB 3.5Å; W117-F120 PolarHBondContact O-N 3.04Å; M118-F120 VanDerWaalsContact C-N 3.27Å; M118-F120 PolarHBondContact O-N 3.08Å |
| 121 | F | 78.5 | Confident | 85.5 | Confident | 119 Ų | 119 | 56.1 Ų | 56.1 | 52% | 0.522 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -93.3 | -18.5 | -173.9 | -67.3 | -72.2 | 0 | 0 | 0 | 115.3 | W117 M118 | W117-F121 AromaticContact CD2-CD2 3.89Å; W117-F121 HydrophobicContact CD2-CD2 3.89Å; W117-F121 AromaticContact CD2-CE2 3.46Å; W117-F121 HydrophobicContact CD2-CE2 3.46Å; W117-F121 VanDerWaalsContact CD2-CE2 3.46Å; W117-F121 AromaticContact CE2-CD2 3.6Å; W117-F121 AromaticContact CE2-CE2 3.29Å; W117-F121 HydrophobicContact CE3-CD2 4.47Å; W117-F121 AromaticContact CE3-CE2 3.63Å; W117-F121 HydrophobicContact CE3-CE2 3.63Å; W117-F121 HydrophobicContact CE3-CZ 4.49Å; W117-F121 HydrophobicContact CG-CD2 4.16Å; W117-F121 HydrophobicContact CG-CE2 4.18Å; W117-F121 AromaticContact CH2-CE2 3.49Å; W117-F121 HydrophobicContact CH2-CE2 3.49Å; W117-F121 VanDerWaalsContact CH2-CE2 3.49Å; W117-F121 AromaticContact CH2-CZ 3.73Å; W117-F121 HydrophobicContact CH2-CZ 3.73Å; W117-F121 AromaticContact CZ2-CD2 3.96Å; W117-F121 HydrophobicContact CZ2-CD2 3.96Å; W117-F121 AromaticContact CZ2-CE2 3.32Å; W117-F121 HydrophobicContact CZ2-CE2 3.32Å; W117-F121 AromaticContact CZ2-CZ 3.84Å; W117-F121 HydrophobicContact CZ2-CZ 3.84Å; W117-F121 AromaticContact CZ3-CE2 3.64Å; W117-F121 HydrophobicContact CZ3-CE2 3.64Å; W117-F121 HydrophobicContact CZ3-CZ 4.08Å; W117-F121 AromaticContact NE1-CD2 3.71Å; W117-F121 AromaticContact NE1-CE2 3.91Å; W117-F121 WeakPolarHBondContact O-CD2 3.42Å; W117-F121 PolarHBondContact O-N 3.04Å; M118-F121 PolarHBondContact O-N 3.32Å |
| 122 | R | 72.9 | Confident | 85.3 | Confident | 104 Ų | 104 | 56 Ų | 56 | 39% | 0.392 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -98.6 | 124.7 | -172.5 | -164.3 | 174.8 | -173.6 | 158.5 | 9.4 | 112.8 | M118 R124 N366 | M118-R122 WeakPolarHBondContact O-CB 3.45Å; M118-R122 PolarHBondContact O-N 3.35Å; R122-R124 HydrophobicContact CG-CG 4.09Å; R122-R124 PolarHBondContact O-N 3.24Å; R122-N366 PolarHBondContact NH2-ND2 3.42Å; R122-N366 VanDerWaalsContact NH2-ND2 3.1Å |
| 123 | T | 59.1 | Low | 85.3 | Confident | 144 Ų | 144 | 57.7 Ų | 57.7 | 88% | 0.883 | 29% | 0.288 | S | S | * | . | trans | -67.5 | 99.1 | 172.9 | -31.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 124 | R | 68.6 | Low | 85.3 | Confident | 42 Ų | 42 | 57 Ų | 57 | 16% | 0.158 | 28% | 0.279 | C | S | . | . | trans | -124.3 | 173.8 | 175 | -66 | -52.6 | -148.1 | 164.9 | -6.6 | 110.7 | R122 I126 S362 N366 | R122-R124 HydrophobicContact CG-CG 4.09Å; R122-R124 PolarHBondContact O-N 3.24Å; R124-I126 PolarHBondContact O-N 2.98Å; R124-S362 PolarHBondContact NH2-O 3.32Å; R124-S362 PolarHBondContact NH2-OG 2.9Å; R124-N366 VanDerWaalsContact CZ-OD1 3.28Å; R124-N366 PolarHBondContact NH1-OD1 3.46Å; R124-N366 PolarHBondContact NH2-ND2 3.29Å; R124-N366 PolarHBondContact NH2-OD1 2.97Å | ||
| 125 | S | 74.2 | Confident | 85.4 | Confident | 33 Ų | 33 | 54 Ų | 54 | 23% | 0.231 | 26% | 0.261 | C | S | . | . | trans | -52.1 | 124.3 | 172.3 | 176 | 0 | 0 | 0 | 0 | 110.3 | C127 T128 T129 Y201 | S125-C127 VanDerWaalsContact C-N 3.27Å; S125-C127 PolarHBondContact O-N 2.89Å; S125-T128 WeakPolarHBondContact O-CB 3.29Å; S125-T128 PolarHBondContact O-N 3.13Å; S125-T129 PolarHBondContact O-N 2.92Å; S125-T129 PolarHBondContact O-OG1 2.98Å; S125-Y201 PolarHBondContact OG-OH 3.48Å | ||
| 126 | I | 80.3 | Confident | 85.6 | Confident | 80 Ų | 80 | 54 Ų | 54 | 41% | 0.41 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -52.3 | -42.1 | -175.3 | -159.3 | 83.7 | 0 | 0 | 0 | 112.3 | R124 T128 T129 V130 K206 H207 | R124-I126 PolarHBondContact O-N 2.98Å; I126-T128 PolarHBondContact O-N 2.92Å; I126-T129 PolarHBondContact O-N 3.42Å; I126-V130 WeakPolarHBondContact O-CG2 3.44Å; I126-V130 PolarHBondContact O-N 3.37Å; I126-K206 HydrophobicContact CG2-CB 3.38Å; I126-H207 HydrophobicContact CG1-CB 4.09Å; I126-H207 HydrophobicContact CG2-CB 4.34Å |
| 127 | C | 83.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61 | -48.5 | 176.2 | -68.9 | 0 | 0 | 0 | 0 | 112.2 | S125 T129 V130 F131 N190 K206 A210 | S125-C127 VanDerWaalsContact C-N 3.27Å; S125-C127 PolarHBondContact O-N 2.89Å; C127-T129 VanDerWaalsContact C-N 3.3Å; C127-T129 PolarHBondContact O-N 3.45Å; C127-V130 PolarHBondContact O-N 3.18Å; C127-F131 HydrophobicContact CB-CD2 4.42Å; C127-F131 HydrophobicContact CB-CE2 4.28Å; C127-F131 WeakPolarHBondContact O-CD2 3.47Å; C127-F131 PolarHBondContact O-N 2.8Å; C127-N190 WeakPolarHBondContact CB-OD1 3.37Å; C127-K206 VanDerWaalsContact SG-C 3.6Å; C127-K206 WeakPolarHBondContact SG-CA 3.35Å; C127-K206 WeakPolarHBondContact SG-CB 3.41Å; C127-K206 PolarHBondContact SG-O 3.18Å; C127-A210 HydrophobicContact CB-CB 4.29Å |
| 128 | T | 84.5 | Confident | 86 | Confident | 26 Ų | 26 | 47.2 Ų | 47.2 | 16% | 0.16 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.1 | -44.1 | -177.7 | -54.9 | 0 | 0 | 0 | 0 | 109.7 | S125 I126 Y132 | S125-T128 WeakPolarHBondContact O-CB 3.29Å; S125-T128 PolarHBondContact O-N 3.13Å; I126-T128 PolarHBondContact O-N 2.92Å; T128-Y132 HydrophobicContact CG2-CD2 3.54Å; T128-Y132 HydrophobicContact CG2-CE2 3.69Å; T128-Y132 WeakPolarHBondContact O-CB 3.46Å; T128-Y132 VanDerWaalsContact O-CD2 3.28Å; T128-Y132 WeakPolarHBondContact O-CD2 3.36Å; T128-Y132 PolarHBondContact O-N 3.03Å; T128-Y132 VanDerWaalsContact O-N 3.09Å |
| 129 | T | 89.2 | Confident | 86.4 | Confident | 25 Ų | 25 | 44.1 Ų | 44.1 | 15% | 0.153 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.4 | -48.4 | 178.5 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | L119 S125 I126 C127 T133 | L119-T129 HydrophobicContact CB-CG2 4.33Å; L119-T129 HydrophobicContact CD2-CG2 4.1Å; S125-T129 PolarHBondContact O-N 2.92Å; S125-T129 PolarHBondContact O-OG1 2.98Å; I126-T129 PolarHBondContact O-N 3.42Å; C127-T129 VanDerWaalsContact C-N 3.3Å; C127-T129 PolarHBondContact O-N 3.45Å; T129-T133 VanDerWaalsContact O-CB 3.25Å; T129-T133 WeakPolarHBondContact O-CB 3.5Å; T129-T133 PolarHBondContact O-N 3.29Å; T129-T133 PolarHBondContact O-OG1 3.45Å |
| 130 | V | 93.2 | Very high | 86.8 | Confident | 19 Ų | 19 | 46.8 Ų | 46.8 | 12% | 0.115 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62 | -48.4 | -178.9 | 171.8 | 0 | 0 | 0 | 0 | 112 | I126 C127 T133 N134 A210 L211 | I126-V130 WeakPolarHBondContact O-CG2 3.44Å; I126-V130 PolarHBondContact O-N 3.37Å; C127-V130 PolarHBondContact O-N 3.18Å; V130-T133 PolarHBondContact O-N 2.92Å; V130-N134 PolarHBondContact O-N 3.5Å; V130-N134 PolarHBondContact O-ND2 3.08Å; V130-A210 HydrophobicContact CB-CB 3.81Å; V130-A210 HydrophobicContact CG1-CB 3.8Å; V130-A210 HydrophobicContact CG2-CB 4.34Å; V130-L211 HydrophobicContact CG1-CD2 4.07Å; V130-L211 HydrophobicContact CG2-CD2 4.46Å |
| 131 | F | 93.6 | Very high | 87.4 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.3 | -48.5 | -179.5 | -72.1 | -55.9 | 0 | 0 | 0 | 112.8 | C127 T133 N134 L135 L183 C186 I187 N190 Y209 A210 T213 C214 | C127-F131 HydrophobicContact CB-CD2 4.42Å; C127-F131 HydrophobicContact CB-CE2 4.28Å; C127-F131 WeakPolarHBondContact O-CD2 3.47Å; C127-F131 PolarHBondContact O-N 2.8Å; F131-T133 VanDerWaalsContact C-N 3.27Å; F131-T133 PolarHBondContact O-N 2.94Å; F131-N134 PolarHBondContact O-N 3.34Å; F131-L135 PolarHBondContact O-N 2.96Å; F131-L183 HydrophobicContact CD1-CD2 4.36Å; F131-C186 HydrophobicContact CD1-CB 4.02Å; F131-C186 HydrophobicContact CE1-CB 3.56Å; F131-C186 HydrophobicContact CZ-CB 3.97Å; F131-I187 HydrophobicContact CB-CD1 4.08Å; F131-I187 HydrophobicContact CB-CG1 3.58Å; F131-I187 HydrophobicContact CD2-CG1 4.43Å; F131-I187 HydrophobicContact CG-CG1 4.06Å; F131-N190 HydrophobicContact CD2-CB 4.48Å; F131-N190 HydrophobicContact CE2-CB 3.97Å; F131-Y209 AromaticContact CE2-CE1 3.99Å; F131-Y209 HydrophobicContact CE2-CE1 3.99Å; F131-Y209 HydrophobicContact CZ-CD1 4.39Å; F131-Y209 AromaticContact CZ-CE1 3.84Å; F131-Y209 HydrophobicContact CZ-CE1 3.84Å; F131-A210 HydrophobicContact CE2-CB 4.23Å; F131-A210 HydrophobicContact CZ-CB 4.25Å; F131-T213 WeakPolarHBondContact CE1-OG1 3.48Å; F131-T213 WeakPolarHBondContact CZ-OG1 3.11Å; F131-C214 WeakPolarHBondContact CD1-SG 3.41Å |
| 132 | Y | 92.7 | Very high | 88.2 | Confident | 16 Ų | 16 | 37 Ų | 37 | 6% | 0.063 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69 | -26.9 | 179.3 | -80.2 | -76.8 | 0 | 0 | 0 | 112.6 | T128 L135 A136 I187 Y358 | T128-Y132 HydrophobicContact CG2-CD2 3.54Å; T128-Y132 HydrophobicContact CG2-CE2 3.69Å; T128-Y132 WeakPolarHBondContact O-CB 3.46Å; T128-Y132 VanDerWaalsContact O-CD2 3.28Å; T128-Y132 WeakPolarHBondContact O-CD2 3.36Å; T128-Y132 PolarHBondContact O-N 3.03Å; T128-Y132 VanDerWaalsContact O-N 3.09Å; Y132-L135 HydrophobicContact CD1-CD2 4.31Å; Y132-A136 VanDerWaalsContact O-CB 3.29Å; Y132-A136 WeakPolarHBondContact O-CB 3.27Å; Y132-A136 PolarHBondContact O-N 3.4Å; Y132-I187 HydrophobicContact CD1-CD1 4.32Å; Y132-I187 HydrophobicContact CD2-CD1 4.46Å; Y132-I187 HydrophobicContact CE1-CD1 4.16Å; Y132-I187 HydrophobicContact CE2-CD1 4.31Å; Y132-I187 HydrophobicContact CE2-CG2 4.28Å; Y132-I187 HydrophobicContact CG-CD1 4.48Å; Y132-Y358 AromaticContact CD1-CD2 3.8Å; Y132-Y358 HydrophobicContact CD1-CD2 3.8Å; Y132-Y358 HydrophobicContact CD1-CG 4.21Å; Y132-Y358 AromaticContact CD2-CD2 3.76Å; Y132-Y358 HydrophobicContact CD2-CD2 3.76Å; Y132-Y358 HydrophobicContact CD2-CE2 4.29Å; Y132-Y358 HydrophobicContact CE1-CD2 4.12Å; Y132-Y358 HydrophobicContact CE1-CG 4.45Å; Y132-Y358 HydrophobicContact CE2-CD2 4.08Å; Y132-Y358 AromaticContact CG-CD2 3.6Å; Y132-Y358 HydrophobicContact CG-CD2 3.6Å; Y132-Y358 HydrophobicContact CG-CE2 4.3Å; Y132-Y358 HydrophobicContact CG-CG 4.41Å |
| 133 | T | 94.4 | Very high | 89.4 | Confident | 38 Ų | 38 | 32 Ų | 32 | 23% | 0.233 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.3 | -46.5 | 173 | -58.4 | 0 | 0 | 0 | 0 | 110.4 | L116 T129 V130 F131 L135 A136 I137 | L116-T133 HydrophobicContact CD2-CG2 3.99Å; T129-T133 VanDerWaalsContact O-CB 3.25Å; T129-T133 WeakPolarHBondContact O-CB 3.5Å; T129-T133 PolarHBondContact O-N 3.29Å; T129-T133 PolarHBondContact O-OG1 3.45Å; V130-T133 PolarHBondContact O-N 2.92Å; F131-T133 VanDerWaalsContact C-N 3.27Å; F131-T133 PolarHBondContact O-N 2.94Å; T133-L135 VanDerWaalsContact C-N 3.32Å; T133-L135 PolarHBondContact O-N 3.25Å; T133-A136 PolarHBondContact O-N 3.33Å; T133-I137 HydrophobicContact CG2-CD1 3.95Å; T133-I137 VanDerWaalsContact O-CG1 3.26Å; T133-I137 WeakPolarHBondContact O-CG1 3.44Å; T133-I137 PolarHBondContact O-N 3.06Å |
| 134 | N | 96.4 | Very high | 91.1 | Very high | 28 Ų | 28 | 27.8 Ų | 27.8 | 15% | 0.15 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63 | -39.5 | 177.1 | -80 | -91.1 | 0 | 0 | 0 | 111.9 | V130 F131 I137 A138 L183 W218 | V130-N134 PolarHBondContact O-N 3.5Å; V130-N134 PolarHBondContact O-ND2 3.08Å; F131-N134 PolarHBondContact O-N 3.34Å; N134-I137 PolarHBondContact O-N 3.38Å; N134-A138 PolarHBondContact O-N 2.84Å; N134-L183 HydrophobicContact CB-CD1 3.96Å; N134-L183 HydrophobicContact CB-CD2 4.12Å; N134-W218 PolarHBondContact OD1-NE1 3.49Å |
| 135 | L | 95.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.7 | -50.3 | 176.4 | -174.8 | 61.2 | 0 | 0 | 0 | 110.8 | F131 Y132 T133 I137 A138 D139 L183 L184 I187 D354 | F131-L135 PolarHBondContact O-N 2.96Å; Y132-L135 HydrophobicContact CD1-CD2 4.31Å; T133-L135 VanDerWaalsContact C-N 3.32Å; T133-L135 PolarHBondContact O-N 3.25Å; L135-I137 VanDerWaalsContact C-N 3.29Å; L135-I137 PolarHBondContact O-N 2.93Å; L135-A138 PolarHBondContact O-N 3.34Å; L135-A138 VanDerWaalsContact O-N 3.13Å; L135-D139 PolarHBondContact O-N 3.11Å; L135-L183 HydrophobicContact CB-CD1 4Å; L135-L183 HydrophobicContact CD1-CB 4.28Å; L135-L183 HydrophobicContact CD1-CD1 4.19Å; L135-L184 HydrophobicContact CD2-CD2 4.01Å; L135-L184 HydrophobicContact CD2-CG 4.42Å; L135-I187 HydrophobicContact CD2-CD1 4.16Å; L135-D354 HydrophobicContact CD2-CB 4.04Å; L135-D354 HydrophobicContact CG-CB 4.39Å |
| 136 | A | 96.1 | Very high | 93.4 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 3% | 0.025 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65 | -30 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T115 L116 Y132 T133 F140 | T115-A136 HydrophobicContact CG2-CB 4.14Å; L116-A136 HydrophobicContact CD2-CB 3.67Å; L116-A136 HydrophobicContact CG-CB 3.81Å; Y132-A136 VanDerWaalsContact O-CB 3.29Å; Y132-A136 WeakPolarHBondContact O-CB 3.27Å; Y132-A136 PolarHBondContact O-N 3.4Å; T133-A136 PolarHBondContact O-N 3.33Å; A136-F140 WeakPolarHBondContact O-CB 3.29Å; A136-F140 PolarHBondContact O-N 3.32Å |
| 137 | I | 96.8 | Very high | 94.1 | Very high | 65 Ų | 65 | 24 Ų | 24 | 33% | 0.333 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -66 | -48.1 | 171.4 | -72.3 | 167.2 | 0 | 0 | 0 | 110.4 | L116 T133 N134 L135 F140 L141 W218 | L116-I137 HydrophobicContact CD2-CG1 3.87Å; T133-I137 HydrophobicContact CG2-CD1 3.95Å; T133-I137 VanDerWaalsContact O-CG1 3.26Å; T133-I137 WeakPolarHBondContact O-CG1 3.44Å; T133-I137 PolarHBondContact O-N 3.06Å; N134-I137 PolarHBondContact O-N 3.38Å; L135-I137 VanDerWaalsContact C-N 3.29Å; L135-I137 PolarHBondContact O-N 2.93Å; I137-F140 PolarHBondContact O-N 2.95Å; I137-L141 HydrophobicContact CG2-CD1 3.93Å; I137-L141 HydrophobicContact CG2-CG 4.42Å; I137-L141 WeakPolarHBondContact O-CB 3.49Å; I137-L141 VanDerWaalsContact O-CG 3.27Å; I137-L141 WeakPolarHBondContact O-CG 3.42Å; I137-L141 PolarHBondContact O-N 3.34Å; I137-W218 HydrophobicContact CG2-CZ2 4.31Å |
| 138 | A | 96.8 | Very high | 94.7 | Very high | 6 Ų | 6 | 27.2 Ų | 27.2 | 5% | 0.05 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.3 | -48.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N134 L135 F140 L141 F142 N176 C179 W218 | N134-A138 PolarHBondContact O-N 2.84Å; L135-A138 PolarHBondContact O-N 3.34Å; L135-A138 VanDerWaalsContact O-N 3.13Å; A138-F140 PolarHBondContact O-N 3.11Å; A138-L141 PolarHBondContact O-N 2.73Å; A138-F142 WeakPolarHBondContact O-CB 3.3Å; A138-F142 PolarHBondContact O-N 3.03Å; A138-N176 PolarHBondContact O-OD1 3.03Å; A138-C179 HydrophobicContact CB-CB 4.3Å; A138-W218 HydrophobicContact CB-CH2 4.4Å; A138-W218 HydrophobicContact CB-CZ2 4.5Å |
| 139 | D | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.4 | -41.2 | 178.6 | -70.8 | -39 | 0 | 0 | 0 | 111.9 | L135 F142 C143 N176 S180 S351 | L135-D139 PolarHBondContact O-N 3.11Å; D139-F142 WeakPolarHBondContact O-CB 3.48Å; D139-F142 PolarHBondContact O-N 3Å; D139-C143 WeakPolarHBondContact O-CB 3.48Å; D139-C143 PolarHBondContact O-N 3.46Å; D139-C143 PolarHBondContact O-SG 2.79Å; D139-N176 WeakPolarHBondContact CA-OD1 3.07Å; D139-N176 PolarHBondContact N-OD1 3.21Å; D139-N176 PolarHBondContact OD1-OD1 2.75Å; D139-S180 PolarHBondContact OD1-OG 3.31Å; D139-S351 WeakPolarHBondContact OD1-CA 3.49Å; D139-S351 WeakPolarHBondContact OD1-CB 3.39Å; D139-S351 PolarHBondContact OD1-OG 2.79Å |
| 140 | F | 96.6 | Very high | 95.2 | Very high | 64 Ų | 64 | 26.3 Ų | 26.3 | 28% | 0.281 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -62.8 | -48.2 | 177.3 | -177.1 | -93.7 | 0 | 0 | 0 | 111.4 | V109 N112 A113 L116 A136 I137 A138 F142 C143 V144 | V109-F140 HydrophobicContact CG1-CD2 4.49Å; V109-F140 HydrophobicContact CG1-CE2 3.84Å; N112-F140 HydrophobicContact CB-CB 4.11Å; N112-F140 HydrophobicContact CB-CD2 4.41Å; A113-F140 HydrophobicContact CB-CD2 4.45Å; A113-F140 HydrophobicContact CB-CE2 4.13Å; L116-F140 HydrophobicContact CD1-CB 4.47Å; A136-F140 WeakPolarHBondContact O-CB 3.29Å; A136-F140 PolarHBondContact O-N 3.32Å; I137-F140 PolarHBondContact O-N 2.95Å; A138-F140 PolarHBondContact O-N 3.11Å; F140-F142 VanDerWaalsContact C-N 3.29Å; F140-F142 PolarHBondContact O-N 2.7Å; F140-C143 PolarHBondContact O-N 3.2Å; F140-V144 HydrophobicContact CD1-CG1 4.14Å; F140-V144 HydrophobicContact CE1-CG1 3.72Å; F140-V144 HydrophobicContact CE2-CG1 4.17Å; F140-V144 HydrophobicContact CZ-CG1 3.74Å; F140-V144 WeakPolarHBondContact O-CG1 3.3Å; F140-V144 WeakPolarHBondContact O-CG2 3.45Å; F140-V144 PolarHBondContact O-N 2.92Å |
| 141 | L | 96.1 | Very high | 95.3 | Very high | 78 Ų | 78 | 27.3 Ų | 27.3 | 41% | 0.408 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -57.8 | -43.4 | 176.9 | -73.5 | 172.7 | 0 | 0 | 0 | 111.5 | I137 A138 V144 T145 W218 | I137-L141 HydrophobicContact CG2-CD1 3.93Å; I137-L141 HydrophobicContact CG2-CG 4.42Å; I137-L141 WeakPolarHBondContact O-CB 3.49Å; I137-L141 VanDerWaalsContact O-CG 3.27Å; I137-L141 WeakPolarHBondContact O-CG 3.42Å; I137-L141 PolarHBondContact O-N 3.34Å; A138-L141 PolarHBondContact O-N 2.73Å; L141-V144 WeakPolarHBondContact O-CG2 3.41Å; L141-T145 PolarHBondContact O-N 3.38Å; L141-T145 PolarHBondContact O-OG1 3.13Å; L141-T145 VanDerWaalsContact O-OG1 3.1Å; L141-W218 HydrophobicContact CD1-CH2 4.47Å |
| 142 | F | 96 | Very high | 95.2 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 1% | 0.013 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.8 | -55.1 | 173.6 | 168.3 | -114.2 | 0 | 0 | 0 | 112.1 | V104 A138 D139 F140 V144 T145 L146 I172 F173 N176 S351 | V104-F142 HydrophobicContact CG1-CE1 3.99Å; A138-F142 WeakPolarHBondContact O-CB 3.3Å; A138-F142 PolarHBondContact O-N 3.03Å; D139-F142 WeakPolarHBondContact O-CB 3.48Å; D139-F142 PolarHBondContact O-N 3Å; F140-F142 VanDerWaalsContact C-N 3.29Å; F140-F142 PolarHBondContact O-N 2.7Å; F142-V144 VanDerWaalsContact C-N 3.33Å; F142-V144 PolarHBondContact O-N 3.11Å; F142-T145 PolarHBondContact O-N 2.94Å; F142-T145 PolarHBondContact O-OG1 3.45Å; F142-L146 HydrophobicContact CE1-CD1 4Å; F142-L146 HydrophobicContact CE1-CD2 4.42Å; F142-L146 HydrophobicContact CE1-CG 4.43Å; F142-L146 HydrophobicContact CE2-CD2 3.77Å; F142-L146 HydrophobicContact CE2-CG 4.27Å; F142-L146 HydrophobicContact CZ-CD1 4.08Å; F142-L146 HydrophobicContact CZ-CD2 3.67Å; F142-L146 HydrophobicContact CZ-CG 4.13Å; F142-L146 PolarHBondContact O-N 3.43Å; F142-I172 HydrophobicContact CB-CG2 4.4Å; F142-F173 HydrophobicContact CD2-CD2 4.4Å; F142-F173 HydrophobicContact CE2-CB 4.46Å; F142-F173 AromaticContact CE2-CD2 3.47Å; F142-F173 HydrophobicContact CE2-CD2 3.47Å; F142-F173 VanDerWaalsContact CE2-CD2 3.47Å; F142-F173 AromaticContact CE2-CE2 3.79Å; F142-F173 HydrophobicContact CE2-CE2 3.79Å; F142-F173 HydrophobicContact CE2-CG 4.09Å; F142-F173 HydrophobicContact CZ-CD2 4.26Å; F142-F173 HydrophobicContact CZ-CE2 4.12Å; F142-N176 HydrophobicContact CB-CB 3.68Å; F142-N176 VanDerWaalsContact CB-CG 3.47Å; F142-N176 WeakPolarHBondContact CD1-ND2 3.32Å; F142-N176 HydrophobicContact CD2-CB 4.23Å; F142-N176 HydrophobicContact CG-CB 4.01Å; F142-N176 WeakPolarHBondContact CG-ND2 3.26Å; F142-S351 WeakPolarHBondContact CD1-OG 3.34Å |
| 143 | C | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.9 | -43.1 | -177 | -68.9 | 0 | 0 | 0 | 0 | 111.9 | F105 V109 D139 F140 T145 L146 | F105-C143 WeakPolarHBondContact CD2-O 3.42Å; V109-C143 HydrophobicContact CG2-CB 3.58Å; D139-C143 WeakPolarHBondContact O-CB 3.48Å; D139-C143 PolarHBondContact O-N 3.46Å; D139-C143 PolarHBondContact O-SG 2.79Å; F140-C143 PolarHBondContact O-N 3.2Å; C143-T145 PolarHBondContact O-N 2.83Å; C143-L146 WeakPolarHBondContact O-CB 3.42Å; C143-L146 PolarHBondContact O-N 3.43Å; C143-L146 VanDerWaalsContact O-N 3.15Å |
| 144 | V | 96.6 | Very high | 94.9 | Very high | 55 Ų | 55 | 30.3 Ų | 30.3 | 33% | 0.333 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -67.7 | -20.2 | 179.6 | -60.6 | 0 | 0 | 0 | 0 | 113.8 | V109 F140 L141 F142 P147 | V109-V144 HydrophobicContact CG2-CG1 4.08Å; F140-V144 HydrophobicContact CD1-CG1 4.14Å; F140-V144 HydrophobicContact CE1-CG1 3.72Å; F140-V144 HydrophobicContact CE2-CG1 4.17Å; F140-V144 HydrophobicContact CZ-CG1 3.74Å; F140-V144 WeakPolarHBondContact O-CG1 3.3Å; F140-V144 WeakPolarHBondContact O-CG2 3.45Å; F140-V144 PolarHBondContact O-N 2.92Å; L141-V144 WeakPolarHBondContact O-CG2 3.41Å; F142-V144 VanDerWaalsContact C-N 3.33Å; F142-V144 PolarHBondContact O-N 3.11Å; V144-P147 VanDerWaalsContact O-CD 3.3Å; V144-P147 WeakPolarHBondContact O-CD 3.33Å |
| 145 | T | 95.3 | Very high | 94.7 | Very high | 23 Ų | 23 | 32.8 Ų | 32.8 | 14% | 0.141 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -87.4 | -14.2 | 173.2 | 47.9 | 0 | 0 | 0 | 0 | 114.9 | L141 F142 C143 P147 F148 I172 | L141-T145 PolarHBondContact O-N 3.38Å; L141-T145 PolarHBondContact O-OG1 3.13Å; L141-T145 VanDerWaalsContact O-OG1 3.1Å; F142-T145 PolarHBondContact O-N 2.94Å; F142-T145 PolarHBondContact O-OG1 3.45Å; C143-T145 PolarHBondContact O-N 2.83Å; T145-P147 VanDerWaalsContact C-N 3.35Å; T145-F148 WeakPolarHBondContact O-CD2 3.32Å; T145-F148 PolarHBondContact O-N 3.29Å; T145-I172 HydrophobicContact CG2-CD1 3.69Å; T145-I172 HydrophobicContact CG2-CG2 4.3Å; T145-I172 VanDerWaalsContact OG1-CG2 3.28Å; T145-I172 WeakPolarHBondContact OG1-CG2 3.37Å |
| 146 | L | 94.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.1 | -34.5 | 178.3 | -72.9 | 171.6 | 0 | 0 | 0 | 115.4 | Y101 V104 F105 F142 C143 F148 K149 I150 | Y101-L146 HydrophobicContact CD1-CD2 4.02Å; Y101-L146 HydrophobicContact CD2-CD2 4.39Å; Y101-L146 HydrophobicContact CG-CD2 3.96Å; V104-L146 HydrophobicContact CB-CD1 3.8Å; V104-L146 HydrophobicContact CG1-CD1 3.42Å; V104-L146 VanDerWaalsContact CG1-CD1 3.42Å; F105-L146 HydrophobicContact CB-CB 4.48Å; F142-L146 HydrophobicContact CE1-CD1 4Å; F142-L146 HydrophobicContact CE1-CD2 4.42Å; F142-L146 HydrophobicContact CE1-CG 4.43Å; F142-L146 HydrophobicContact CE2-CD2 3.77Å; F142-L146 HydrophobicContact CE2-CG 4.27Å; F142-L146 HydrophobicContact CZ-CD1 4.08Å; F142-L146 HydrophobicContact CZ-CD2 3.67Å; F142-L146 HydrophobicContact CZ-CG 4.13Å; F142-L146 PolarHBondContact O-N 3.43Å; C143-L146 WeakPolarHBondContact O-CB 3.42Å; C143-L146 PolarHBondContact O-N 3.43Å; C143-L146 VanDerWaalsContact O-N 3.15Å; L146-F148 PolarHBondContact O-N 3.39Å; L146-F148 VanDerWaalsContact O-N 3.11Å; L146-K149 PolarHBondContact O-N 2.88Å; L146-I150 HydrophobicContact CB-CD1 4.36Å; L146-I150 WeakPolarHBondContact O-CG1 3.3Å; L146-I150 PolarHBondContact O-N 3.01Å |
| 147 | P | 96.1 | Very high | 93.7 | Very high | 49 Ų | 49 | 34.1 Ų | 34.1 | 32% | 0.318 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -51 | -35 | 176.2 | -30.8 | 38 | 0 | 0 | 0 | 114.3 | F105 V144 T145 I150 A151 | F105-P147 HydrophobicContact CD2-CG 3.82Å; F105-P147 HydrophobicContact CE2-CG 3.67Å; F105-P147 HydrophobicContact CG-CG 4.37Å; F105-P147 HydrophobicContact CZ-CG 4.12Å; V144-P147 VanDerWaalsContact O-CD 3.3Å; V144-P147 WeakPolarHBondContact O-CD 3.33Å; T145-P147 VanDerWaalsContact C-N 3.35Å; P147-I150 PolarHBondContact O-N 3.34Å; P147-A151 WeakPolarHBondContact O-CB 3.39Å; P147-A151 PolarHBondContact O-N 2.88Å |
| 148 | F | 95.1 | Very high | 93.3 | Very high | 69 Ų | 69 | 33.1 Ų | 33.1 | 30% | 0.303 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -67.9 | -43.1 | 177 | -60.8 | -69.8 | 0 | 0 | 0 | 112.3 | T145 L146 A151 Y152 W159 F161 L165 T169 | T145-F148 WeakPolarHBondContact O-CD2 3.32Å; T145-F148 PolarHBondContact O-N 3.29Å; L146-F148 PolarHBondContact O-N 3.39Å; L146-F148 VanDerWaalsContact O-N 3.11Å; F148-A151 PolarHBondContact O-N 3.42Å; F148-Y152 WeakPolarHBondContact O-CB 3.16Å; F148-Y152 PolarHBondContact O-N 2.88Å; F148-W159 HydrophobicContact CB-CH2 3.9Å; F148-W159 HydrophobicContact CB-CZ3 4.34Å; F148-F161 HydrophobicContact CD1-CD1 4.24Å; F148-F161 HydrophobicContact CD1-CD2 4.27Å; F148-F161 HydrophobicContact CD1-CE1 4.19Å; F148-F161 HydrophobicContact CD1-CE2 4.22Å; F148-F161 HydrophobicContact CD1-CG 4.29Å; F148-F161 HydrophobicContact CD1-CZ 4.18Å; F148-L165 HydrophobicContact CD1-CD2 3.47Å; F148-L165 VanDerWaalsContact CD1-CD2 3.47Å; F148-L165 HydrophobicContact CD2-CD2 4.36Å; F148-L165 HydrophobicContact CE1-CD2 3.52Å; F148-L165 HydrophobicContact CE2-CD1 4.5Å; F148-L165 HydrophobicContact CE2-CD2 4.4Å; F148-L165 HydrophobicContact CG-CD2 3.93Å; F148-L165 HydrophobicContact CZ-CD2 4Å; F148-T169 HydrophobicContact CB-CG2 3.98Å; F148-T169 HydrophobicContact CD2-CG2 4.14Å; F148-T169 HydrophobicContact CG-CG2 4.34Å |
| 149 | K | 91.5 | Very high | 93 | Very high | 14 Ų | 14 | 33.1 Ų | 33.1 | 6% | 0.061 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.6 | -35.4 | 173.7 | -87.8 | -156.6 | -179.8 | -78.8 | 0 | 112.3 | Y101 L146 Y152 H153 F173 | Y101-K149 HydrophobicContact CD2-CB 4.24Å; Y101-K149 HydrophobicContact CE2-CB 4.29Å; Y101-K149 HydrophobicContact CE2-CD 4.11Å; L146-K149 PolarHBondContact O-N 2.88Å; K149-Y152 WeakPolarHBondContact O-CB 3.42Å; K149-Y152 PolarHBondContact O-N 3.24Å; K149-H153 PolarHBondContact O-CD2 3.28Å; K149-H153 PolarHBondContact O-N 3.39Å; K149-F173 HydrophobicContact CD-CD2 4.06Å; K149-F173 HydrophobicContact CD-CE2 4.37Å |
| 150 | I | 93.8 | Very high | 92.9 | Very high | 18 Ų | 18 | 37.6 Ų | 37.6 | 9% | 0.092 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.9 | -50.7 | 174.7 | -66.1 | 164 | 0 | 0 | 0 | 109.8 | P98 L102 F105 L146 P147 Y152 H153 L154 | P98-I150 HydrophobicContact CB-CG2 4.11Å; L102-I150 HydrophobicContact CB-CD1 4.17Å; L102-I150 HydrophobicContact CD1-CD1 4.42Å; F105-I150 HydrophobicContact CB-CD1 4.49Å; L146-I150 HydrophobicContact CB-CD1 4.36Å; L146-I150 WeakPolarHBondContact O-CG1 3.3Å; L146-I150 PolarHBondContact O-N 3.01Å; P147-I150 PolarHBondContact O-N 3.34Å; I150-Y152 VanDerWaalsContact C-N 3.29Å; I150-Y152 PolarHBondContact O-N 2.87Å; I150-H153 PolarHBondContact O-N 3.45Å; I150-L154 HydrophobicContact CG2-CD1 3.76Å; I150-L154 HydrophobicContact CG2-CG 4.3Å; I150-L154 WeakPolarHBondContact O-CB 3.44Å; I150-L154 VanDerWaalsContact O-CG 3.3Å; I150-L154 WeakPolarHBondContact O-CG 3.3Å; I150-L154 PolarHBondContact O-N 3Å |
| 151 | A | 94.9 | Very high | 92.7 | Very high | 39 Ų | 39 | 38.5 Ų | 38.5 | 32% | 0.322 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.8 | -41.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | P147 F148 L154 N155 F161 | P147-A151 WeakPolarHBondContact O-CB 3.39Å; P147-A151 PolarHBondContact O-N 2.88Å; F148-A151 PolarHBondContact O-N 3.42Å; A151-L154 PolarHBondContact O-N 3.33Å; A151-N155 VanDerWaalsContact O-CB 3.23Å; A151-N155 WeakPolarHBondContact O-CB 3.42Å; A151-N155 PolarHBondContact O-N 2.9Å; A151-F161 HydrophobicContact CB-CE2 4.06Å; A151-F161 HydrophobicContact CB-CZ 3.87Å |
| 152 | Y | 92 | Very high | 92.4 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57 | -52.5 | 174.6 | 165.6 | -105 | 0 | 0 | 0 | 113.3 | F148 K149 I150 L154 N155 N157 W159 D247 | F148-Y152 WeakPolarHBondContact O-CB 3.16Å; F148-Y152 PolarHBondContact O-N 2.88Å; K149-Y152 WeakPolarHBondContact O-CB 3.42Å; K149-Y152 PolarHBondContact O-N 3.24Å; I150-Y152 VanDerWaalsContact C-N 3.29Å; I150-Y152 PolarHBondContact O-N 2.87Å; Y152-L154 PolarHBondContact O-N 2.93Å; Y152-N155 CarbonylContact O-C 3.59Å; Y152-N155 PolarHBondContact O-N 2.86Å; Y152-N157 HydrophobicContact CE1-CB 4.15Å; Y152-N157 HydrophobicContact CE2-CB 4.16Å; Y152-N157 WeakPolarHBondContact CE2-O 3.35Å; Y152-N157 VanDerWaalsContact O-CA 3.32Å; Y152-N157 WeakPolarHBondContact O-CA 3.01Å; Y152-N157 PolarHBondContact O-N 3.41Å; Y152-W159 HydrophobicContact CD2-CB 3.78Å; Y152-W159 AromaticContact CD2-CE3 3.79Å; Y152-W159 HydrophobicContact CD2-CE3 3.79Å; Y152-W159 HydrophobicContact CE2-CB 3.96Å; Y152-W159 AromaticContact CG-CE3 3.9Å; Y152-W159 HydrophobicContact CG-CE3 3.9Å; Y152-W159 HydrophobicContact CG-CZ3 4.48Å; Y152-D247 WeakPolarHBondContact CE1-OD2 3.21Å; Y152-D247 VanDerWaalsContact CZ-OD2 3.28Å; Y152-D247 PolarHBondContact OH-OD2 2.94Å |
| 153 | H | 89.6 | Confident | 92 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.4 | -36.2 | -179.2 | -73.2 | -59 | 0 | 0 | 0 | 112.3 | T94 P98 Y101 K149 I150 N155 G156 N157 | T94-H153 WeakPolarHBondContact CA-O 3.41Å; P98-H153 HydrophobicContact CB-CB 4.11Å; P98-H153 HydrophobicContact CG-CB 3.92Å; Y101-H153 AromaticContact CE2-CD2 3.97Å; Y101-H153 AromaticContact CE2-NE2 3.86Å; K149-H153 PolarHBondContact O-CD2 3.28Å; K149-H153 PolarHBondContact O-N 3.39Å; I150-H153 PolarHBondContact O-N 3.45Å; H153-N155 VanDerWaalsContact C-N 3.29Å; H153-N155 PolarHBondContact O-N 3.1Å; H153-G156 PolarHBondContact O-N 2.9Å; H153-N157 PolarHBondContact ND1-OD1 3.32Å |
| 154 | L | 91.3 | Very high | 91.8 | Very high | 115 Ų | 115 | 43.8 Ų | 43.8 | 60% | 0.602 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -68.2 | -29.5 | 175.1 | -68.9 | 177.2 | 0 | 0 | 0 | 112.5 | P98 I150 A151 Y152 G156 | P98-L154 HydrophobicContact CB-CD2 4.03Å; P98-L154 HydrophobicContact CB-CG 4.03Å; P98-L154 HydrophobicContact CG-CD2 3.93Å; P98-L154 HydrophobicContact CG-CG 4.34Å; I150-L154 HydrophobicContact CG2-CD1 3.76Å; I150-L154 HydrophobicContact CG2-CG 4.3Å; I150-L154 WeakPolarHBondContact O-CB 3.44Å; I150-L154 VanDerWaalsContact O-CG 3.3Å; I150-L154 WeakPolarHBondContact O-CG 3.3Å; I150-L154 PolarHBondContact O-N 3Å; A151-L154 PolarHBondContact O-N 3.33Å; Y152-L154 PolarHBondContact O-N 2.93Å; L154-G156 PolarHBondContact O-N 3.1Å |
| 155 | N | 91.2 | Very high | 91.7 | Very high | 80 Ų | 80 | 43.6 Ų | 43.6 | 43% | 0.428 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 27.2 | 175.1 | -163.8 | 41 | 0 | 0 | 0 | 112.8 | A151 Y152 H153 N157 N158 | A151-N155 VanDerWaalsContact O-CB 3.23Å; A151-N155 WeakPolarHBondContact O-CB 3.42Å; A151-N155 PolarHBondContact O-N 2.9Å; Y152-N155 CarbonylContact O-C 3.59Å; Y152-N155 PolarHBondContact O-N 2.86Å; H153-N155 VanDerWaalsContact C-N 3.29Å; H153-N155 PolarHBondContact O-N 3.1Å; N155-N157 PolarHBondContact O-N 2.86Å; N155-N158 PolarHBondContact ND2-O 3.07Å; N155-N158 VanDerWaalsContact O-CB 3.32Å; N155-N158 WeakPolarHBondContact O-CB 3.31Å; N155-N158 PolarHBondContact O-N 2.81Å |
| 156 | G | 86.4 | Confident | 91.5 | Very high | 33 Ų | 33 | 42.5 Ų | 42.5 | 34% | 0.34 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 33.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | H153 L154 N158 | H153-G156 PolarHBondContact O-N 2.9Å; L154-G156 PolarHBondContact O-N 3.1Å; G156-N158 VanDerWaalsContact C-N 3.27Å; G156-N158 PolarHBondContact O-N 3.33Å |
| 157 | N | 85.2 | Confident | 91.4 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 33.5 | -174.8 | -56.5 | -53.6 | 0 | 0 | 0 | 113.4 | L88 S93 Y152 H153 N155 I242 | L88-N157 HydrophobicContact CD2-CB 3.95Å; L88-N157 PolarHBondContact O-ND2 3.48Å; S93-N157 PolarHBondContact OG-ND2 3.5Å; S93-N157 PolarHBondContact OG-OD1 3.4Å; S93-N157 VanDerWaalsContact OG-OD1 3.08Å; Y152-N157 HydrophobicContact CE1-CB 4.15Å; Y152-N157 HydrophobicContact CE2-CB 4.16Å; Y152-N157 WeakPolarHBondContact CE2-O 3.35Å; Y152-N157 VanDerWaalsContact O-CA 3.32Å; Y152-N157 WeakPolarHBondContact O-CA 3.01Å; Y152-N157 PolarHBondContact O-N 3.41Å; H153-N157 PolarHBondContact ND1-OD1 3.32Å; N155-N157 PolarHBondContact O-N 2.86Å; N157-I242 HydrophobicContact CB-CD1 4.42Å |
| 158 | N | 88.2 | Confident | 91.3 | Very high | 44 Ų | 44 | 44.8 Ų | 44.8 | 24% | 0.235 | 26% | 0.256 | C | S | . | . | trans | -107.1 | 112.9 | 174.1 | -174.4 | 28.2 | 0 | 0 | 0 | 111.1 | N155 G156 I242 T243 | N155-N158 PolarHBondContact ND2-O 3.07Å; N155-N158 VanDerWaalsContact O-CB 3.32Å; N155-N158 WeakPolarHBondContact O-CB 3.31Å; N155-N158 PolarHBondContact O-N 2.81Å; G156-N158 VanDerWaalsContact C-N 3.27Å; G156-N158 PolarHBondContact O-N 3.33Å; N158-I242 HydrophobicContact CB-CB 4.16Å; N158-I242 HydrophobicContact CB-CG2 4.15Å; N158-T243 CarbonylContact C-O 3.57Å; N158-T243 WeakPolarHBondContact CA-O 3.01Å; N158-T243 PolarHBondContact OD1-N 2.95Å | ||
| 159 | W | 91.1 | Very high | 91.2 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 2% | 0.023 | 24% | 0.243 | C | C | . | . | trans | -84.1 | 121.3 | -178.4 | -173.3 | -98 | 0 | 0 | 0 | 110.8 | F148 Y152 F161 G162 L165 C166 T169 T243 C245 | F148-W159 HydrophobicContact CB-CH2 3.9Å; F148-W159 HydrophobicContact CB-CZ3 4.34Å; Y152-W159 HydrophobicContact CD2-CB 3.78Å; Y152-W159 AromaticContact CD2-CE3 3.79Å; Y152-W159 HydrophobicContact CD2-CE3 3.79Å; Y152-W159 HydrophobicContact CE2-CB 3.96Å; Y152-W159 AromaticContact CG-CE3 3.9Å; Y152-W159 HydrophobicContact CG-CE3 3.9Å; Y152-W159 HydrophobicContact CG-CZ3 4.48Å; W159-F161 HydrophobicContact CD2-CD2 4.14Å; W159-F161 AromaticContact CE2-CD2 3.97Å; W159-F161 HydrophobicContact CE3-CD2 4.17Å; W159-F161 AromaticContact CH2-CD2 3.86Å; W159-F161 HydrophobicContact CH2-CD2 3.86Å; W159-F161 HydrophobicContact CZ2-CB 3.78Å; W159-F161 AromaticContact CZ2-CD2 3.83Å; W159-F161 HydrophobicContact CZ2-CD2 3.83Å; W159-F161 HydrophobicContact CZ2-CG 4.27Å; W159-F161 HydrophobicContact CZ3-CD2 4.03Å; W159-G162 PolarHBondContact NE1-O 2.89Å; W159-L165 HydrophobicContact CZ2-CB 4.03Å; W159-L165 HydrophobicContact CZ2-CD2 4.34Å; W159-L165 HydrophobicContact CZ2-CG 4.11Å; W159-C166 HydrophobicContact CD2-CB 4.48Å; W159-C166 HydrophobicContact CZ2-CB 4.1Å; W159-T169 HydrophobicContact CH2-CG2 4.04Å; W159-T243 HydrophobicContact CB-CG2 4.36Å; W159-T243 WeakPolarHBondContact CB-O 3.33Å; W159-T243 PolarHBondContact N-O 2.85Å; W159-C245 HydrophobicContact CB-CB 3.98Å; W159-C245 HydrophobicContact CD2-CB 3.67Å; W159-C245 HydrophobicContact CE3-CB 3.76Å; W159-C245 HydrophobicContact CG-CB 3.76Å | ||
| 160 | V | 93.3 | Very high | 91.1 | Very high | 95 Ų | 95 | 41.1 Ų | 41.1 | 58% | 0.576 | 24% | 0.241 | S | C | * | . | trans | -118.8 | 2.7 | -173.7 | -61.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 161 | F | 92.1 | Very high | 91.1 | Very high | 82 Ų | 82 | 41.7 Ų | 41.7 | 36% | 0.36 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -97.7 | 2.2 | -173.5 | -52 | -74.7 | 0 | 0 | 0 | 113.9 | F148 A151 W159 L165 | F148-F161 HydrophobicContact CD1-CD1 4.24Å; F148-F161 HydrophobicContact CD1-CD2 4.27Å; F148-F161 HydrophobicContact CD1-CE1 4.19Å; F148-F161 HydrophobicContact CD1-CE2 4.22Å; F148-F161 HydrophobicContact CD1-CG 4.29Å; F148-F161 HydrophobicContact CD1-CZ 4.18Å; A151-F161 HydrophobicContact CB-CE2 4.06Å; A151-F161 HydrophobicContact CB-CZ 3.87Å; W159-F161 HydrophobicContact CD2-CD2 4.14Å; W159-F161 AromaticContact CE2-CD2 3.97Å; W159-F161 HydrophobicContact CE3-CD2 4.17Å; W159-F161 AromaticContact CH2-CD2 3.86Å; W159-F161 HydrophobicContact CH2-CD2 3.86Å; W159-F161 HydrophobicContact CZ2-CB 3.78Å; W159-F161 AromaticContact CZ2-CD2 3.83Å; W159-F161 HydrophobicContact CZ2-CD2 3.83Å; W159-F161 HydrophobicContact CZ2-CG 4.27Å; W159-F161 HydrophobicContact CZ3-CD2 4.03Å; F161-L165 HydrophobicContact CB-CB 4.13Å; F161-L165 HydrophobicContact CB-CD2 3.43Å; F161-L165 VanDerWaalsContact CB-CD2 3.43Å; F161-L165 HydrophobicContact CB-CG 4.3Å; F161-L165 HydrophobicContact CD1-CD2 4.33Å; F161-L165 HydrophobicContact CG-CD2 3.88Å |
| 162 | G | 90.8 | Very high | 91.1 | Very high | 28 Ų | 28 | 42.3 Ų | 42.3 | 29% | 0.289 | 24% | 0.242 | S | C | . | . | trans | 75.8 | 170.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | W159 V164 L165 C166 E234 | W159-G162 PolarHBondContact NE1-O 2.89Å; G162-V164 PolarHBondContact O-N 3.47Å; G162-L165 PolarHBondContact O-N 3.33Å; G162-C166 PolarHBondContact O-N 2.87Å; G162-C166 VanDerWaalsContact O-N 3.11Å; G162-E234 VanDerWaalsContact CA-OE2 3.26Å; G162-E234 WeakPolarHBondContact CA-OE2 3.49Å | ||
| 163 | E | 88 | Confident | 91.1 | Very high | 41 Ų | 41 | 42.9 Ų | 42.9 | 19% | 0.192 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.6 | -38.4 | -164.8 | 170 | 63.6 | 171.8 | 0 | 0 | 113.1 | L165 C166 R167 K232 Q233 E234 | E163-L165 VanDerWaalsContact C-N 3.31Å; E163-L165 PolarHBondContact O-N 3.06Å; E163-C166 WeakPolarHBondContact O-CB 3.48Å; E163-C166 PolarHBondContact O-N 3.4Å; E163-R167 WeakPolarHBondContact O-CG 3.47Å; E163-R167 PolarHBondContact O-N 3.34Å; E163-R167 IonicContact OE1-CZ 3.24Å; E163-R167 VanDerWaalsContact OE1-CZ 3.24Å; E163-R167 IonicContact OE1-NE 2.72Å; E163-R167 PolarHBondContact OE1-NE 2.86Å; E163-R167 IonicContact OE1-NH2 2.87Å; E163-R167 PolarHBondContact OE1-NH2 3Å; E163-K232 WeakPolarHBondContact OE1-CA 3.47Å; E163-K232 WeakPolarHBondContact OE1-CG 3.46Å; E163-Q233 PolarHBondContact OE1-N 3.41Å; E163-Q233 PolarHBondContact OE2-N 3.21Å; E163-E234 WeakPolarHBondContact CA-OE2 3.41Å; E163-E234 HydrophobicContact CB-CB 4.37Å; E163-E234 PolarHBondContact N-OE2 2.96Å; E163-E234 WeakPolarHBondContact OE2-CA 3.26Å; E163-E234 WeakPolarHBondContact OE2-CB 3.17Å; E163-E234 PolarHBondContact OE2-N 3.41Å |
| 164 | V | 92.1 | Very high | 91 | Very high | 124 Ų | 124 | 43.1 Ų | 43.1 | 75% | 0.752 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61.1 | -43.2 | -179.3 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | G162 A168 | G162-V164 PolarHBondContact O-N 3.47Å; V164-A168 WeakPolarHBondContact O-CB 3.38Å; V164-A168 PolarHBondContact O-N 3.49Å |
| 165 | L | 93.3 | Very high | 91.1 | Very high | 50 Ų | 50 | 38 Ų | 38 | 26% | 0.262 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -75.3 | -30.8 | 179 | -163.2 | 66.2 | 0 | 0 | 0 | 111.6 | F148 W159 F161 G162 E163 A168 T169 | F148-L165 HydrophobicContact CD1-CD2 3.47Å; F148-L165 VanDerWaalsContact CD1-CD2 3.47Å; F148-L165 HydrophobicContact CD2-CD2 4.36Å; F148-L165 HydrophobicContact CE1-CD2 3.52Å; F148-L165 HydrophobicContact CE2-CD1 4.5Å; F148-L165 HydrophobicContact CE2-CD2 4.4Å; F148-L165 HydrophobicContact CG-CD2 3.93Å; F148-L165 HydrophobicContact CZ-CD2 4Å; W159-L165 HydrophobicContact CZ2-CB 4.03Å; W159-L165 HydrophobicContact CZ2-CD2 4.34Å; W159-L165 HydrophobicContact CZ2-CG 4.11Å; F161-L165 HydrophobicContact CB-CB 4.13Å; F161-L165 HydrophobicContact CB-CD2 3.43Å; F161-L165 VanDerWaalsContact CB-CD2 3.43Å; F161-L165 HydrophobicContact CB-CG 4.3Å; F161-L165 HydrophobicContact CD1-CD2 4.33Å; F161-L165 HydrophobicContact CG-CD2 3.88Å; G162-L165 PolarHBondContact O-N 3.33Å; E163-L165 VanDerWaalsContact C-N 3.31Å; E163-L165 PolarHBondContact O-N 3.06Å; L165-A168 PolarHBondContact O-N 3.21Å; L165-T169 HydrophobicContact CD1-CG2 4.49Å; L165-T169 HydrophobicContact CG-CG2 4.24Å; L165-T169 WeakPolarHBondContact O-CB 3.16Å; L165-T169 VanDerWaalsContact O-CG2 3.24Å; L165-T169 WeakPolarHBondContact O-CG2 3.33Å; L165-T169 PolarHBondContact O-N 3.1Å; L165-T169 PolarHBondContact O-OG1 3.24Å |
| 166 | C | 91.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.9 | -47.9 | 172.3 | 178.3 | 0 | 0 | 0 | 0 | 111.2 | W159 G162 E163 T169 T170 Q233 C245 | W159-C166 HydrophobicContact CD2-CB 4.48Å; W159-C166 HydrophobicContact CZ2-CB 4.1Å; G162-C166 PolarHBondContact O-N 2.87Å; G162-C166 VanDerWaalsContact O-N 3.11Å; E163-C166 WeakPolarHBondContact O-CB 3.48Å; E163-C166 PolarHBondContact O-N 3.4Å; C166-T169 PolarHBondContact O-OG1 3.24Å; C166-T170 VanDerWaalsContact O-CB 3.27Å; C166-T170 WeakPolarHBondContact O-CB 3.36Å; C166-T170 PolarHBondContact O-N 2.96Å; C166-T170 PolarHBondContact O-OG1 3.39Å; C166-Q233 WeakPolarHBondContact SG-CB 3.19Å; C166-C245 WeakPolarHBondContact CA-SG 3.43Å; C166-C245 HydrophobicContact CB-CB 4.02Å; C166-C245 WeakPolarHBondContact CB-SG 3.24Å; C166-C245 WeakPolarHBondContact SG-CA 3.42Å; C166-C245 WeakPolarHBondContact SG-CB 3.44Å; C166-C245 CovalentContact SG-SG 2.03Å; C166-C245 PolarHBondContact SG-SG 2.97Å |
| 167 | R | 91.6 | Very high | 91.5 | Very high | 63 Ų | 63 | 33.8 Ų | 33.8 | 24% | 0.238 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60 | -49.2 | 174.4 | -69.2 | 171.5 | -175.6 | -143.3 | 3.1 | 112.1 | E163 T169 T170 V171 F229 I230 Q233 | E163-R167 WeakPolarHBondContact O-CG 3.47Å; E163-R167 PolarHBondContact O-N 3.34Å; E163-R167 IonicContact OE1-CZ 3.24Å; E163-R167 VanDerWaalsContact OE1-CZ 3.24Å; E163-R167 IonicContact OE1-NE 2.72Å; E163-R167 PolarHBondContact OE1-NE 2.86Å; E163-R167 IonicContact OE1-NH2 2.87Å; E163-R167 PolarHBondContact OE1-NH2 3Å; R167-T169 PolarHBondContact O-N 2.99Å; R167-T170 PolarHBondContact O-N 2.98Å; R167-V171 WeakPolarHBondContact O-CB 3.17Å; R167-V171 VanDerWaalsContact O-CG2 3.29Å; R167-V171 WeakPolarHBondContact O-CG2 3.07Å; R167-V171 PolarHBondContact O-N 3.48Å; R167-F229 WeakPolarHBondContact CD-O 3.41Å; R167-F229 PolarHBondContact NH1-O 3.38Å; R167-I230 PolarHBondContact NH1-O 3.45Å; R167-Q233 HydrophobicContact CG-CB 4.28Å; R167-Q233 HydrophobicContact CG-CG 3.85Å |
| 168 | A | 93.6 | Very high | 91.8 | Very high | 36 Ų | 36 | 33.8 Ų | 33.8 | 30% | 0.298 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60 | -47.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V164 L165 T170 V171 I172 | V164-A168 WeakPolarHBondContact O-CB 3.38Å; V164-A168 PolarHBondContact O-N 3.49Å; L165-A168 PolarHBondContact O-N 3.21Å; A168-T170 VanDerWaalsContact C-N 3.34Å; A168-T170 PolarHBondContact O-N 2.92Å; A168-V171 PolarHBondContact O-N 3.29Å; A168-I172 WeakPolarHBondContact O-CB 3.47Å; A168-I172 WeakPolarHBondContact O-CD1 3.46Å; A168-I172 VanDerWaalsContact O-CG1 3.24Å; A168-I172 WeakPolarHBondContact O-CG1 3.2Å; A168-I172 PolarHBondContact O-N 2.92Å |
| 169 | T | 93.2 | Very high | 92.1 | Very high | 5 Ų | 5 | 31.8 Ų | 31.8 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.6 | -37.1 | 179.1 | 55 | 0 | 0 | 0 | 0 | 112.1 | F148 W159 L165 C166 R167 F173 | F148-T169 HydrophobicContact CB-CG2 3.98Å; F148-T169 HydrophobicContact CD2-CG2 4.14Å; F148-T169 HydrophobicContact CG-CG2 4.34Å; W159-T169 HydrophobicContact CH2-CG2 4.04Å; L165-T169 HydrophobicContact CD1-CG2 4.49Å; L165-T169 HydrophobicContact CG-CG2 4.24Å; L165-T169 WeakPolarHBondContact O-CB 3.16Å; L165-T169 VanDerWaalsContact O-CG2 3.24Å; L165-T169 WeakPolarHBondContact O-CG2 3.33Å; L165-T169 PolarHBondContact O-N 3.1Å; L165-T169 PolarHBondContact O-OG1 3.24Å; C166-T169 PolarHBondContact O-OG1 3.24Å; R167-T169 PolarHBondContact O-N 2.99Å; T169-F173 WeakPolarHBondContact O-CB 3.45Å; T169-F173 PolarHBondContact O-N 3.03Å |
| 170 | T | 90.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.9 | -50.5 | 174.7 | -61.7 | 0 | 0 | 0 | 0 | 111.5 | C166 R167 A168 I172 F173 Y174 F228 H246 | C166-T170 VanDerWaalsContact O-CB 3.27Å; C166-T170 WeakPolarHBondContact O-CB 3.36Å; C166-T170 PolarHBondContact O-N 2.96Å; C166-T170 PolarHBondContact O-OG1 3.39Å; R167-T170 PolarHBondContact O-N 2.98Å; A168-T170 VanDerWaalsContact C-N 3.34Å; A168-T170 PolarHBondContact O-N 2.92Å; T170-I172 VanDerWaalsContact C-N 3.34Å; T170-I172 PolarHBondContact O-N 3.18Å; T170-F173 PolarHBondContact O-N 3.01Å; T170-Y174 HydrophobicContact CG2-CD2 3.91Å; T170-Y174 HydrophobicContact CG2-CE2 4.06Å; T170-Y174 WeakPolarHBondContact O-CD2 3.29Å; T170-Y174 PolarHBondContact O-N 3.42Å; T170-F228 HydrophobicContact CG2-CB 4.2Å; T170-F228 HydrophobicContact CG2-CD1 4.24Å; T170-F228 HydrophobicContact CG2-CG 4.23Å; T170-H246 HydrophobicContact CG2-CB 4.23Å; T170-H246 WeakPolarHBondContact CG2-CD2 3.38Å |
| 171 | V | 93.4 | Very high | 92.2 | Very high | 31 Ų | 31 | 27 Ų | 27 | 19% | 0.188 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.2 | -42.7 | 178.1 | 165.7 | 0 | 0 | 0 | 0 | 111.3 | R167 A168 G175 M225 F228 F229 | R167-V171 WeakPolarHBondContact O-CB 3.17Å; R167-V171 VanDerWaalsContact O-CG2 3.29Å; R167-V171 WeakPolarHBondContact O-CG2 3.07Å; R167-V171 PolarHBondContact O-N 3.48Å; A168-V171 PolarHBondContact O-N 3.29Å; V171-G175 WeakPolarHBondContact O-CA 3.49Å; V171-G175 PolarHBondContact O-N 2.93Å; V171-M225 HydrophobicContact CG1-CB 3.92Å; V171-M225 HydrophobicContact CG1-CG 4.28Å; V171-M225 HydrophobicContact CG2-CB 4.4Å; V171-F228 HydrophobicContact CG2-CB 3.85Å; V171-F229 HydrophobicContact CG2-CB 4.05Å |
| 172 | I | 94.8 | Very high | 92.3 | Very high | 51 Ų | 51 | 24.3 Ų | 24.3 | 26% | 0.262 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -68.1 | -39.2 | 178.5 | -70.1 | 166.4 | 0 | 0 | 0 | 110.8 | F142 T145 A168 T170 N176 | F142-I172 HydrophobicContact CB-CG2 4.4Å; T145-I172 HydrophobicContact CG2-CD1 3.69Å; T145-I172 HydrophobicContact CG2-CG2 4.3Å; T145-I172 VanDerWaalsContact OG1-CG2 3.28Å; T145-I172 WeakPolarHBondContact OG1-CG2 3.37Å; A168-I172 WeakPolarHBondContact O-CB 3.47Å; A168-I172 WeakPolarHBondContact O-CD1 3.46Å; A168-I172 VanDerWaalsContact O-CG1 3.24Å; A168-I172 WeakPolarHBondContact O-CG1 3.2Å; A168-I172 PolarHBondContact O-N 2.92Å; T170-I172 VanDerWaalsContact C-N 3.34Å; T170-I172 PolarHBondContact O-N 3.18Å; I172-N176 WeakPolarHBondContact O-CB 3.29Å; I172-N176 PolarHBondContact O-N 3.16Å |
| 173 | F | 91.1 | Very high | 92.5 | Very high | 13 Ų | 13 | 23 Ų | 23 | 6% | 0.057 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.6 | -58.7 | 178.2 | -172.3 | -77.4 | 0 | 0 | 0 | 112.1 | Y101 F142 K149 T169 T170 M177 L344 | Y101-F173 HydrophobicContact CE1-CE2 4.19Å; Y101-F173 AromaticContact CZ-CE2 3.98Å; F142-F173 HydrophobicContact CD2-CD2 4.4Å; F142-F173 HydrophobicContact CE2-CB 4.46Å; F142-F173 AromaticContact CE2-CD2 3.47Å; F142-F173 HydrophobicContact CE2-CD2 3.47Å; F142-F173 VanDerWaalsContact CE2-CD2 3.47Å; F142-F173 AromaticContact CE2-CE2 3.79Å; F142-F173 HydrophobicContact CE2-CE2 3.79Å; F142-F173 HydrophobicContact CE2-CG 4.09Å; F142-F173 HydrophobicContact CZ-CD2 4.26Å; F142-F173 HydrophobicContact CZ-CE2 4.12Å; K149-F173 HydrophobicContact CD-CD2 4.06Å; K149-F173 HydrophobicContact CD-CE2 4.37Å; T169-F173 WeakPolarHBondContact O-CB 3.45Å; T169-F173 PolarHBondContact O-N 3.03Å; T170-F173 PolarHBondContact O-N 3.01Å; F173-M177 PolarHBondContact O-N 3.46Å; F173-L344 HydrophobicContact CE1-CB 4.5Å; F173-L344 HydrophobicContact CE1-CD1 4.32Å; F173-L344 HydrophobicContact CE1-CD2 4.19Å; F173-L344 HydrophobicContact CZ-CB 4.26Å |
| 174 | Y | 88.8 | Confident | 92.8 | Very high | 8 Ų | 8 | 21.7 Ų | 21.7 | 3% | 0.031 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -72 | -34.3 | -179.9 | -71.2 | -78.7 | 0 | 0 | 0 | 111.8 | T170 N176 M177 Y178 M225 F228 H246 Y340 L344 | T170-Y174 HydrophobicContact CG2-CD2 3.91Å; T170-Y174 HydrophobicContact CG2-CE2 4.06Å; T170-Y174 WeakPolarHBondContact O-CD2 3.29Å; T170-Y174 PolarHBondContact O-N 3.42Å; Y174-N176 VanDerWaalsContact C-N 3.34Å; Y174-N176 PolarHBondContact O-N 3.27Å; Y174-M177 HydrophobicContact CD1-CE 4.35Å; Y174-M177 WeakPolarHBondContact O-CB 3.36Å; Y174-M177 PolarHBondContact O-N 3.4Å; Y174-Y178 VanDerWaalsContact O-CD2 3.22Å; Y174-Y178 WeakPolarHBondContact O-CD2 3.22Å; Y174-Y178 PolarHBondContact O-N 2.9Å; Y174-Y178 VanDerWaalsContact O-N 3.11Å; Y174-M225 WeakPolarHBondContact CB-SD 3.14Å; Y174-F228 HydrophobicContact CD2-CE2 4.27Å; Y174-F228 HydrophobicContact CD2-CZ 4.46Å; Y174-F228 HydrophobicContact CG-CE2 4.12Å; Y174-H246 AromaticContact CE2-CE1 3.47Å; Y174-H246 VanDerWaalsContact CE2-CE1 3.47Å; Y174-H246 WeakPolarHBondContact CE2-CE1 3.18Å; Y174-H246 AromaticContact CE2-NE2 3.43Å; Y174-H246 WeakPolarHBondContact CE2-NE2 3.43Å; Y174-H246 AromaticContact CZ-CE1 3.51Å; Y174-H246 AromaticContact CZ-NE2 3.8Å; Y174-H246 PolarHBondContact OH-CE1 3.43Å; Y174-Y340 PolarHBondContact OH-OH 3.44Å; Y174-L344 HydrophobicContact CE1-CD2 4.43Å |
| 175 | G | 93.3 | Very high | 92.9 | Very high | 7 Ų | 7 | 16.1 Ų | 16.1 | 7% | 0.072 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.5 | -44.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V171 Y178 C179 V221 M225 | V171-G175 WeakPolarHBondContact O-CA 3.49Å; V171-G175 PolarHBondContact O-N 2.93Å; G175-Y178 PolarHBondContact O-N 3.42Å; G175-C179 WeakPolarHBondContact O-CB 3.21Å; G175-C179 PolarHBondContact O-N 3.2Å; G175-V221 WeakPolarHBondContact O-CG1 3.49Å; G175-M225 PolarHBondContact N-SD 2.92Å |
| 176 | N | 94.3 | Very high | 93 | Very high | 12 Ų | 12 | 14.7 Ų | 14.7 | 6% | 0.064 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.8 | -48.3 | 173.3 | -179.3 | 61.7 | 0 | 0 | 0 | 111.8 | A138 D139 F142 I172 Y174 Y178 C179 S180 S351 | A138-N176 PolarHBondContact O-OD1 3.03Å; D139-N176 WeakPolarHBondContact CA-OD1 3.07Å; D139-N176 PolarHBondContact N-OD1 3.21Å; D139-N176 PolarHBondContact OD1-OD1 2.75Å; F142-N176 HydrophobicContact CB-CB 3.68Å; F142-N176 VanDerWaalsContact CB-CG 3.47Å; F142-N176 WeakPolarHBondContact CD1-ND2 3.32Å; F142-N176 HydrophobicContact CD2-CB 4.23Å; F142-N176 HydrophobicContact CG-CB 4.01Å; F142-N176 WeakPolarHBondContact CG-ND2 3.26Å; I172-N176 WeakPolarHBondContact O-CB 3.29Å; I172-N176 PolarHBondContact O-N 3.16Å; Y174-N176 VanDerWaalsContact C-N 3.34Å; Y174-N176 PolarHBondContact O-N 3.27Å; N176-Y178 PolarHBondContact O-N 3.46Å; N176-C179 PolarHBondContact O-N 2.77Å; N176-S180 WeakPolarHBondContact O-CB 3.39Å; N176-S180 PolarHBondContact O-N 3.02Å; N176-S180 PolarHBondContact O-OG 3.08Å; N176-S351 PolarHBondContact ND2-OG 3.43Å |
| 177 | M | 89.9 | Confident | 93 | Very high | 13 Ų | 13 | 15 Ų | 15 | 6% | 0.064 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -53.9 | -52 | 179.6 | -173.4 | -177.3 | 73.8 | 0 | 0 | 112.1 | F173 Y174 I181 F314 | F173-M177 PolarHBondContact O-N 3.46Å; Y174-M177 HydrophobicContact CD1-CE 4.35Å; Y174-M177 WeakPolarHBondContact O-CB 3.36Å; Y174-M177 PolarHBondContact O-N 3.4Å; M177-I181 HydrophobicContact CG-CD1 4.19Å; M177-I181 WeakPolarHBondContact O-CD1 3.44Å; M177-I181 VanDerWaalsContact O-CG1 3.25Å; M177-I181 WeakPolarHBondContact O-CG1 3.19Å; M177-I181 PolarHBondContact O-N 3.11Å; M177-I181 VanDerWaalsContact O-N 3.15Å; M177-F314 HydrophobicContact CG-CD1 3.97Å; M177-F314 HydrophobicContact CG-CE1 3.93Å |
| 178 | Y | 91.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -73.8 | -34 | -179.3 | -68.3 | -68.5 | 0 | 0 | 0 | 113 | Y174 G175 N176 I181 L182 M225 L266 | Y174-Y178 VanDerWaalsContact O-CD2 3.22Å; Y174-Y178 WeakPolarHBondContact O-CD2 3.22Å; Y174-Y178 PolarHBondContact O-N 2.9Å; Y174-Y178 VanDerWaalsContact O-N 3.11Å; G175-Y178 PolarHBondContact O-N 3.42Å; N176-Y178 PolarHBondContact O-N 3.46Å; Y178-I181 HydrophobicContact CD1-CD1 4.46Å; Y178-I181 PolarHBondContact O-N 3.06Å; Y178-L182 WeakPolarHBondContact O-CB 3.39Å; Y178-L182 VanDerWaalsContact O-CG 3.29Å; Y178-L182 WeakPolarHBondContact O-CG 3.29Å; Y178-L182 PolarHBondContact O-N 3.34Å; Y178-M225 HydrophobicContact CD2-CE 3.42Å; Y178-M225 VanDerWaalsContact CD2-CE 3.42Å; Y178-M225 HydrophobicContact CE2-CE 3.88Å; Y178-M225 HydrophobicContact CG-CE 4.42Å; Y178-L266 HydrophobicContact CD2-CD2 4.28Å; Y178-L266 HydrophobicContact CE1-CB 4.47Å; Y178-L266 HydrophobicContact CE1-CD2 4.31Å; Y178-L266 HydrophobicContact CE2-CD1 4.28Å; Y178-L266 HydrophobicContact CE2-CD2 3.79Å; Y178-L266 HydrophobicContact CE2-CG 4.5Å |
| 179 | C | 95.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.007 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.5 | -48.5 | 174.5 | -167.5 | 0 | 0 | 0 | 0 | 110.9 | A138 G175 N176 I181 L182 L183 V221 | A138-C179 HydrophobicContact CB-CB 4.3Å; G175-C179 WeakPolarHBondContact O-CB 3.21Å; G175-C179 PolarHBondContact O-N 3.2Å; N176-C179 PolarHBondContact O-N 2.77Å; C179-I181 PolarHBondContact O-N 2.77Å; C179-L182 PolarHBondContact O-N 3.06Å; C179-L183 WeakPolarHBondContact O-CB 3.16Å; C179-L183 VanDerWaalsContact O-CG 3.3Å; C179-L183 WeakPolarHBondContact O-CG 3.37Å; C179-L183 PolarHBondContact O-N 2.89Å; C179-L183 VanDerWaalsContact SG-CD1 3.59Å; C179-V221 HydrophobicContact CB-CG1 4.47Å; C179-V221 HydrophobicContact CB-CG2 3.92Å |
| 180 | S | 93.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62.4 | -42.8 | 178.4 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | D139 N176 L182 L183 L184 | D139-S180 PolarHBondContact OD1-OG 3.31Å; N176-S180 WeakPolarHBondContact O-CB 3.39Å; N176-S180 PolarHBondContact O-N 3.02Å; N176-S180 PolarHBondContact O-OG 3.08Å; S180-L182 PolarHBondContact O-N 3.47Å; S180-L183 PolarHBondContact O-N 3.49Å; S180-L184 VanDerWaalsContact O-CB 3.22Å; S180-L184 WeakPolarHBondContact O-CB 3.25Å; S180-L184 WeakPolarHBondContact O-CD1 3.48Å; S180-L184 WeakPolarHBondContact O-CG 3.42Å; S180-L184 PolarHBondContact O-N 3.15Å |
| 181 | I | 92.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.1 | -50.1 | 175.4 | -69.6 | 163.1 | 0 | 0 | 0 | 111.7 | M177 Y178 C179 L184 A185 G270 F271 P274 F310 F314 | M177-I181 HydrophobicContact CG-CD1 4.19Å; M177-I181 WeakPolarHBondContact O-CD1 3.44Å; M177-I181 VanDerWaalsContact O-CG1 3.25Å; M177-I181 WeakPolarHBondContact O-CG1 3.19Å; M177-I181 PolarHBondContact O-N 3.11Å; M177-I181 VanDerWaalsContact O-N 3.15Å; Y178-I181 HydrophobicContact CD1-CD1 4.46Å; Y178-I181 PolarHBondContact O-N 3.06Å; C179-I181 PolarHBondContact O-N 2.77Å; I181-L184 PolarHBondContact O-N 2.83Å; I181-A185 PolarHBondContact O-N 2.84Å; I181-G270 VanDerWaalsContact CG2-O 3.28Å; I181-G270 WeakPolarHBondContact CG2-O 3.41Å; I181-F271 HydrophobicContact CD1-CD2 4.16Å; I181-P274 HydrophobicContact CG2-CB 3.45Å; I181-P274 VanDerWaalsContact CG2-CB 3.45Å; I181-P274 HydrophobicContact CG2-CG 3.92Å; I181-F310 HydrophobicContact CB-CE2 4.4Å; I181-F310 HydrophobicContact CB-CZ 4.38Å; I181-F310 HydrophobicContact CG1-CE2 4.04Å; I181-F310 HydrophobicContact CG1-CZ 4.01Å; I181-F310 HydrophobicContact CG2-CE2 4.42Å; I181-F310 HydrophobicContact CG2-CZ 3.99Å; I181-F314 HydrophobicContact CD1-CB 4.32Å; I181-F314 HydrophobicContact CD1-CD1 3.74Å; I181-F314 HydrophobicContact CD1-CE1 4.23Å; I181-F314 HydrophobicContact CD1-CG 4.1Å; I181-F314 HydrophobicContact CG1-CB 4.36Å; I181-F314 HydrophobicContact CG1-CD1 3.68Å; I181-F314 HydrophobicContact CG1-CD2 4.17Å; I181-F314 HydrophobicContact CG1-CE1 3.88Å; I181-F314 HydrophobicContact CG1-CE2 4.33Å; I181-F314 HydrophobicContact CG1-CG 3.81Å; I181-F314 HydrophobicContact CG1-CZ 4.18Å |
| 182 | L | 95.1 | Very high | 93 | Very high | 27 Ų | 27 | 14.2 Ų | 14.2 | 14% | 0.141 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -68.9 | -41.5 | -177.6 | -68.2 | 173.1 | 0 | 0 | 0 | 112.1 | Y178 C179 S180 A185 C186 V217 T220 V221 P274 | Y178-L182 WeakPolarHBondContact O-CB 3.39Å; Y178-L182 VanDerWaalsContact O-CG 3.29Å; Y178-L182 WeakPolarHBondContact O-CG 3.29Å; Y178-L182 PolarHBondContact O-N 3.34Å; C179-L182 PolarHBondContact O-N 3.06Å; S180-L182 PolarHBondContact O-N 3.47Å; L182-A185 WeakPolarHBondContact O-CB 3.46Å; L182-A185 PolarHBondContact O-N 3.3Å; L182-C186 PolarHBondContact O-N 3.25Å; L182-C186 PolarHBondContact O-SG 2.99Å; L182-C186 VanDerWaalsContact O-SG 3.33Å; L182-V217 HydrophobicContact CB-CB 4.5Å; L182-V217 HydrophobicContact CB-CG1 3.72Å; L182-V217 HydrophobicContact CB-CG2 4.01Å; L182-V217 HydrophobicContact CD1-CG1 4.21Å; L182-T220 HydrophobicContact CD1-CG2 4.13Å; L182-V221 HydrophobicContact CD1-CG2 4.07Å; L182-P274 HydrophobicContact CD2-CG 3.72Å |
| 183 | L | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64.5 | -41.2 | 175.7 | -73.3 | 174.3 | 0 | 0 | 0 | 111.7 | F131 N134 L135 C179 S180 A185 C186 I187 V217 | F131-L183 HydrophobicContact CD1-CD2 4.36Å; N134-L183 HydrophobicContact CB-CD1 3.96Å; N134-L183 HydrophobicContact CB-CD2 4.12Å; L135-L183 HydrophobicContact CB-CD1 4Å; L135-L183 HydrophobicContact CD1-CB 4.28Å; L135-L183 HydrophobicContact CD1-CD1 4.19Å; C179-L183 WeakPolarHBondContact O-CB 3.16Å; C179-L183 VanDerWaalsContact O-CG 3.3Å; C179-L183 WeakPolarHBondContact O-CG 3.37Å; C179-L183 PolarHBondContact O-N 2.89Å; C179-L183 VanDerWaalsContact SG-CD1 3.59Å; S180-L183 PolarHBondContact O-N 3.49Å; L183-A185 VanDerWaalsContact C-N 3.3Å; L183-A185 PolarHBondContact O-N 2.84Å; L183-C186 WeakPolarHBondContact O-CB 3.37Å; L183-C186 PolarHBondContact O-N 3.46Å; L183-I187 VanDerWaalsContact O-CG1 3.26Å; L183-I187 WeakPolarHBondContact O-CG1 3.26Å; L183-I187 PolarHBondContact O-N 3.45Å; L183-V217 HydrophobicContact CD2-CB 4.43Å; L183-V217 HydrophobicContact CD2-CG1 4.22Å; L183-V217 HydrophobicContact CD2-CG2 4.46Å; L183-V217 HydrophobicContact CG-CG1 4.07Å |
| 184 | L | 92.7 | Very high | 92.8 | Very high | 13 Ų | 13 | 14.4 Ų | 14.4 | 7% | 0.068 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.6 | -35.6 | 174.8 | -72.4 | 170.7 | 0 | 0 | 0 | 111.8 | L135 S180 I181 I187 S188 I278 F310 F314 | L135-L184 HydrophobicContact CD2-CD2 4.01Å; L135-L184 HydrophobicContact CD2-CG 4.42Å; S180-L184 VanDerWaalsContact O-CB 3.22Å; S180-L184 WeakPolarHBondContact O-CB 3.25Å; S180-L184 WeakPolarHBondContact O-CD1 3.48Å; S180-L184 WeakPolarHBondContact O-CG 3.42Å; S180-L184 PolarHBondContact O-N 3.15Å; I181-L184 PolarHBondContact O-N 2.83Å; L184-I187 HydrophobicContact CD2-CD1 4.32Å; L184-I187 PolarHBondContact O-N 3.25Å; L184-S188 WeakPolarHBondContact O-CB 3.38Å; L184-S188 PolarHBondContact O-N 3.46Å; L184-S188 PolarHBondContact O-OG 3.42Å; L184-I278 HydrophobicContact CB-CD1 4.46Å; L184-F310 HydrophobicContact CB-CD2 4.48Å; L184-F310 HydrophobicContact CB-CE2 4.4Å; L184-F310 HydrophobicContact CD1-CD2 3.73Å; L184-F310 HydrophobicContact CD1-CE2 4.02Å; L184-F314 HydrophobicContact CD1-CE2 4.09Å |
| 185 | A | 94.6 | Very high | 92.8 | Very high | 8 Ų | 8 | 16.6 Ų | 16.6 | 7% | 0.066 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.9 | -47 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I181 L182 L183 I187 S188 I189 P274 L277 I278 | I181-A185 PolarHBondContact O-N 2.84Å; L182-A185 WeakPolarHBondContact O-CB 3.46Å; L182-A185 PolarHBondContact O-N 3.3Å; L183-A185 VanDerWaalsContact C-N 3.3Å; L183-A185 PolarHBondContact O-N 2.84Å; A185-I187 PolarHBondContact O-N 3.48Å; A185-S188 WeakPolarHBondContact O-CB 3.43Å; A185-S188 PolarHBondContact O-N 2.71Å; A185-S188 VanDerWaalsContact O-N 3.11Å; A185-I189 WeakPolarHBondContact O-CG1 3.48Å; A185-I189 PolarHBondContact O-N 3.4Å; A185-P274 HydrophobicContact CB-CB 4.14Å; A185-L277 HydrophobicContact CB-CD2 4.32Å; A185-I278 HydrophobicContact CB-CD1 4.08Å; A185-I278 HydrophobicContact CB-CG1 4Å |
| 186 | C | 95.3 | Very high | 92.7 | Very high | 19 Ų | 19 | 18 Ų | 18 | 13% | 0.128 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60 | -42.6 | 175.2 | -66.4 | 0 | 0 | 0 | 0 | 112.6 | F131 L182 L183 S188 I189 N190 | F131-C186 HydrophobicContact CD1-CB 4.02Å; F131-C186 HydrophobicContact CE1-CB 3.56Å; F131-C186 HydrophobicContact CZ-CB 3.97Å; L182-C186 PolarHBondContact O-N 3.25Å; L182-C186 PolarHBondContact O-SG 2.99Å; L182-C186 VanDerWaalsContact O-SG 3.33Å; L183-C186 WeakPolarHBondContact O-CB 3.37Å; L183-C186 PolarHBondContact O-N 3.46Å; C186-S188 VanDerWaalsContact C-N 3.29Å; C186-S188 PolarHBondContact O-N 2.87Å; C186-I189 PolarHBondContact O-N 3.02Å; C186-N190 WeakPolarHBondContact O-CB 3.47Å; C186-N190 PolarHBondContact O-N 3.35Å |
| 187 | I | 92.9 | Very high | 92.5 | Very high | 6 Ų | 6 | 21 Ų | 21 | 3% | 0.031 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60 | -42.5 | 174.5 | -69.8 | 164.1 | 0 | 0 | 0 | 110.2 | F131 Y132 L135 L183 L184 A185 N190 R191 | F131-I187 HydrophobicContact CB-CD1 4.08Å; F131-I187 HydrophobicContact CB-CG1 3.58Å; F131-I187 HydrophobicContact CD2-CG1 4.43Å; F131-I187 HydrophobicContact CG-CG1 4.06Å; Y132-I187 HydrophobicContact CD1-CD1 4.32Å; Y132-I187 HydrophobicContact CD2-CD1 4.46Å; Y132-I187 HydrophobicContact CE1-CD1 4.16Å; Y132-I187 HydrophobicContact CE2-CD1 4.31Å; Y132-I187 HydrophobicContact CE2-CG2 4.28Å; Y132-I187 HydrophobicContact CG-CD1 4.48Å; L135-I187 HydrophobicContact CD2-CD1 4.16Å; L183-I187 VanDerWaalsContact O-CG1 3.26Å; L183-I187 WeakPolarHBondContact O-CG1 3.26Å; L183-I187 PolarHBondContact O-N 3.45Å; L184-I187 HydrophobicContact CD2-CD1 4.32Å; L184-I187 PolarHBondContact O-N 3.25Å; A185-I187 PolarHBondContact O-N 3.48Å; I187-N190 PolarHBondContact O-N 2.88Å; I187-R191 WeakPolarHBondContact O-CB 3.48Å; I187-R191 WeakPolarHBondContact O-CG 3.27Å; I187-R191 PolarHBondContact O-N 3.49Å |
| 188 | S | 92.8 | Very high | 92.4 | Very high | 3 Ų | 3 | 23.5 Ų | 23.5 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.5 | -43.2 | 178.8 | -58.1 | 0 | 0 | 0 | 0 | 112 | L184 A185 C186 R191 Y192 Y282 | L184-S188 WeakPolarHBondContact O-CB 3.38Å; L184-S188 PolarHBondContact O-N 3.46Å; L184-S188 PolarHBondContact O-OG 3.42Å; A185-S188 WeakPolarHBondContact O-CB 3.43Å; A185-S188 PolarHBondContact O-N 2.71Å; A185-S188 VanDerWaalsContact O-N 3.11Å; C186-S188 VanDerWaalsContact C-N 3.29Å; C186-S188 PolarHBondContact O-N 2.87Å; S188-R191 PolarHBondContact O-N 3.49Å; S188-Y192 WeakPolarHBondContact O-CB 3.31Å; S188-Y192 PolarHBondContact O-N 3.5Å; S188-Y282 WeakPolarHBondContact OG-CE2 3.18Å |
| 189 | I | 94.4 | Very high | 92.4 | Very high | 49 Ų | 49 | 32 Ų | 32 | 25% | 0.251 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -61.8 | -49.4 | 173.5 | -64.4 | 167.8 | 0 | 0 | 0 | 110.5 | A185 C186 R191 Y192 L193 L277 | A185-I189 WeakPolarHBondContact O-CG1 3.48Å; A185-I189 PolarHBondContact O-N 3.4Å; C186-I189 PolarHBondContact O-N 3.02Å; I189-R191 PolarHBondContact O-N 3.43Å; I189-Y192 WeakPolarHBondContact O-CB 3.31Å; I189-Y192 PolarHBondContact O-N 2.91Å; I189-Y192 VanDerWaalsContact O-N 3.1Å; I189-L193 HydrophobicContact CG2-CD1 4.06Å; I189-L193 HydrophobicContact CG2-CG 4.31Å; I189-L193 WeakPolarHBondContact O-CG 3.08Å; I189-L193 PolarHBondContact O-N 3.41Å; I189-L277 HydrophobicContact CD1-CD1 3.88Å; I189-L277 HydrophobicContact CD1-CD2 3.78Å; I189-L277 HydrophobicContact CD1-CG 4.47Å; I189-L277 HydrophobicContact CG1-CD1 4.3Å; I189-L277 HydrophobicContact CG1-CD2 3.45Å; I189-L277 VanDerWaalsContact CG1-CD2 3.45Å; I189-L277 HydrophobicContact CG1-CG 4.4Å |
| 190 | N | 92.4 | Very high | 92.2 | Very high | 7 Ų | 7 | 36.1 Ų | 36.1 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.4 | -40.7 | -179.6 | 178.5 | 85.4 | 0 | 0 | 0 | 111.2 | C127 F131 C186 I187 A194 Y201 | C127-N190 WeakPolarHBondContact CB-OD1 3.37Å; F131-N190 HydrophobicContact CD2-CB 4.48Å; F131-N190 HydrophobicContact CE2-CB 3.97Å; C186-N190 WeakPolarHBondContact O-CB 3.47Å; C186-N190 PolarHBondContact O-N 3.35Å; I187-N190 PolarHBondContact O-N 2.88Å; N190-A194 WeakPolarHBondContact O-CB 3.49Å; N190-A194 PolarHBondContact O-N 3.37Å; N190-A194 VanDerWaalsContact O-N 3.08Å; N190-Y201 WeakPolarHBondContact OD1-CE2 3.4Å |
| 191 | R | 90.1 | Very high | 92.1 | Very high | 27 Ų | 27 | 37.7 Ų | 37.7 | 10% | 0.102 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.2 | -41.8 | 174.5 | -74.3 | -170.3 | 67 | -139.8 | -4.8 | 112.8 | I187 S188 I189 L193 A194 I195 Y282 I285 S303 | I187-R191 WeakPolarHBondContact O-CB 3.48Å; I187-R191 WeakPolarHBondContact O-CG 3.27Å; I187-R191 PolarHBondContact O-N 3.49Å; S188-R191 PolarHBondContact O-N 3.49Å; I189-R191 PolarHBondContact O-N 3.43Å; R191-L193 VanDerWaalsContact C-N 3.35Å; R191-A194 PolarHBondContact O-N 3.21Å; R191-I195 WeakPolarHBondContact O-CG1 3.34Å; R191-I195 PolarHBondContact O-N 3.43Å; R191-Y282 PolarHBondContact NH1-OH 2.93Å; R191-I285 HydrophobicContact CB-CD1 4.03Å; R191-S303 PolarHBondContact NH1-OG 2.95Å; R191-S303 PolarHBondContact NH2-OG 3.32Å |
| 192 | Y | 92.8 | Very high | 91.9 | Very high | 35 Ų | 35 | 47.5 Ų | 47.5 | 14% | 0.137 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.4 | -48.1 | 176.2 | 166.7 | -96.5 | 0 | 0 | 0 | 110.8 | S188 I189 A194 I195 V196 H197 Y280 A284 | S188-Y192 WeakPolarHBondContact O-CB 3.31Å; S188-Y192 PolarHBondContact O-N 3.5Å; I189-Y192 WeakPolarHBondContact O-CB 3.31Å; I189-Y192 PolarHBondContact O-N 2.91Å; I189-Y192 VanDerWaalsContact O-N 3.1Å; Y192-A194 VanDerWaalsContact C-N 3.34Å; Y192-A194 PolarHBondContact O-N 3.49Å; Y192-I195 PolarHBondContact O-N 3.49Å; Y192-V196 HydrophobicContact CD2-CB 3.98Å; Y192-V196 HydrophobicContact CD2-CG2 3.56Å; Y192-V196 HydrophobicContact CE2-CB 3.81Å; Y192-V196 HydrophobicContact CE2-CG1 3.85Å; Y192-V196 HydrophobicContact CE2-CG2 3.72Å; Y192-V196 HydrophobicContact CG-CG2 4.38Å; Y192-V196 VanDerWaalsContact O-CB 3.3Å; Y192-V196 WeakPolarHBondContact O-CB 3.43Å; Y192-V196 PolarHBondContact O-N 3.38Å; Y192-H197 AromaticContact CE1-CD2 3.43Å; Y192-H197 VanDerWaalsContact CE1-CD2 3.43Å; Y192-H197 WeakPolarHBondContact CE1-CD2 3.39Å; Y192-H197 AromaticContact CE1-NE2 3.72Å; Y192-H197 AromaticContact CZ-CD2 3.57Å; Y192-H197 AromaticContact CZ-NE2 3.44Å; Y192-H197 PolarHBondContact OH-NE2 3.01Å; Y192-Y280 HydrophobicContact CE2-CE1 4.24Å; Y192-A284 HydrophobicContact CD2-CB 3.86Å; Y192-A284 HydrophobicContact CE2-CB 3.57Å |
| 193 | L | 92.6 | Very high | 91.7 | Very high | 33 Ų | 33 | 49.5 Ų | 49.5 | 17% | 0.173 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 175.6 | -67.7 | 175.4 | 0 | 0 | 0 | 111.3 | I189 R191 I195 H197 Y201 | I189-L193 HydrophobicContact CG2-CD1 4.06Å; I189-L193 HydrophobicContact CG2-CG 4.31Å; I189-L193 WeakPolarHBondContact O-CG 3.08Å; I189-L193 PolarHBondContact O-N 3.41Å; R191-L193 VanDerWaalsContact C-N 3.35Å; L193-I195 VanDerWaalsContact C-N 3.31Å; L193-I195 PolarHBondContact O-N 3.13Å; L193-H197 CarbonylContact O-C 3Å; L193-H197 WeakPolarHBondContact O-CA 3.46Å; L193-H197 PolarHBondContact O-N 3.06Å; L193-H197 VanDerWaalsContact O-N 3.13Å; L193-Y201 HydrophobicContact CB-CD2 4.04Å; L193-Y201 WeakPolarHBondContact O-CB 3.14Å |
| 194 | A | 89.3 | Confident | 91.5 | Very high | 35 Ų | 35 | 51.5 Ų | 51.5 | 29% | 0.289 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.6 | -32.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | N190 R191 Y192 Y201 | N190-A194 WeakPolarHBondContact O-CB 3.49Å; N190-A194 PolarHBondContact O-N 3.37Å; N190-A194 VanDerWaalsContact O-N 3.08Å; R191-A194 PolarHBondContact O-N 3.21Å; Y192-A194 VanDerWaalsContact C-N 3.34Å; Y192-A194 PolarHBondContact O-N 3.49Å; A194-Y201 HydrophobicContact CB-CD1 3.76Å; A194-Y201 HydrophobicContact CB-CD2 4.03Å; A194-Y201 HydrophobicContact CB-CE1 3.75Å; A194-Y201 HydrophobicContact CB-CE2 4.03Å; A194-Y201 HydrophobicContact CB-CG 3.9Å |
| 195 | I | 88.1 | Confident | 91.4 | Very high | 53 Ų | 53 | 54.9 Ų | 54.9 | 27% | 0.272 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -99.4 | -46.6 | -173.6 | -63.8 | 170.9 | 0 | 0 | 0 | 111.7 | R191 Y192 L193 I285 T288 L289 | R191-I195 WeakPolarHBondContact O-CG1 3.34Å; R191-I195 PolarHBondContact O-N 3.43Å; Y192-I195 PolarHBondContact O-N 3.49Å; L193-I195 VanDerWaalsContact C-N 3.31Å; L193-I195 PolarHBondContact O-N 3.13Å; I195-I285 HydrophobicContact CD1-CG1 4.33Å; I195-I285 HydrophobicContact CD1-CG2 3.86Å; I195-T288 HydrophobicContact CG2-CG2 4.26Å; I195-L289 HydrophobicContact CG2-CD2 4.25Å; I195-L289 HydrophobicContact CG2-CG 4.24Å |
| 196 | V | 90.8 | Very high | 91.2 | Very high | 37 Ų | 37 | 58 Ų | 58 | 22% | 0.224 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -88.3 | -32.8 | -172.8 | -172.7 | 0 | 0 | 0 | 0 | 111.4 | Y192 P198 A284 I285 | Y192-V196 HydrophobicContact CD2-CB 3.98Å; Y192-V196 HydrophobicContact CD2-CG2 3.56Å; Y192-V196 HydrophobicContact CE2-CB 3.81Å; Y192-V196 HydrophobicContact CE2-CG1 3.85Å; Y192-V196 HydrophobicContact CE2-CG2 3.72Å; Y192-V196 HydrophobicContact CG-CG2 4.38Å; Y192-V196 VanDerWaalsContact O-CB 3.3Å; Y192-V196 WeakPolarHBondContact O-CB 3.43Å; Y192-V196 PolarHBondContact O-N 3.38Å; V196-P198 VanDerWaalsContact C-CD 3.44Å; V196-P198 WeakPolarHBondContact O-CD 3.36Å; V196-A284 HydrophobicContact CG2-CB 4.44Å; V196-I285 HydrophobicContact CG2-CG1 4.44Å |
| 197 | H | 90.8 | Very high | 90.9 | Very high | 74 Ų | 74 | 61.6 Ų | 61.6 | 34% | 0.343 | 32% | 0.322 | S | S | . | . | trans | -127.1 | 60.3 | -177.4 | -62.5 | -71.4 | 0 | 0 | 0 | 112.5 | Y192 L193 F199 T200 Y201 | Y192-H197 AromaticContact CE1-CD2 3.43Å; Y192-H197 VanDerWaalsContact CE1-CD2 3.43Å; Y192-H197 WeakPolarHBondContact CE1-CD2 3.39Å; Y192-H197 AromaticContact CE1-NE2 3.72Å; Y192-H197 AromaticContact CZ-CD2 3.57Å; Y192-H197 AromaticContact CZ-NE2 3.44Å; Y192-H197 PolarHBondContact OH-NE2 3.01Å; L193-H197 CarbonylContact O-C 3Å; L193-H197 WeakPolarHBondContact O-CA 3.46Å; L193-H197 PolarHBondContact O-N 3.06Å; L193-H197 VanDerWaalsContact O-N 3.13Å; H197-F199 VanDerWaalsContact C-N 3.29Å; H197-F199 PolarHBondContact O-N 2.87Å; H197-T200 WeakPolarHBondContact O-CB 3.35Å; H197-T200 PolarHBondContact O-N 3.16Å; H197-T200 VanDerWaalsContact O-N 3.12Å; H197-Y201 PolarHBondContact O-N 3.32Å | ||
| 198 | P | 88.5 | Confident | 90.9 | Very high | 66 Ų | 66 | 65.2 Ų | 65.2 | 43% | 0.429 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.3 | -32.6 | -168.6 | 24.2 | -35.1 | 0 | 0 | 0 | 113.9 | V196 Y201 R202 | V196-P198 VanDerWaalsContact C-CD 3.44Å; V196-P198 WeakPolarHBondContact O-CD 3.36Å; P198-Y201 PolarHBondContact O-N 3.45Å; P198-R202 WeakPolarHBondContact O-CB 3.4Å; P198-R202 PolarHBondContact O-N 3.05Å |
| 199 | F | 90.4 | Very high | 91 | Very high | 178 Ų | 178 | 67.3 Ų | 67.3 | 78% | 0.781 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -68 | -43.7 | 177 | -62.5 | -67.8 | 0 | 0 | 0 | 112 | H197 R202 G203 | H197-F199 VanDerWaalsContact C-N 3.29Å; H197-F199 PolarHBondContact O-N 2.87Å; F199-R202 PolarHBondContact O-N 3.07Å; F199-G203 PolarHBondContact O-N 3.37Å |
| 200 | T | 91.5 | Very high | 91 | Very high | 88 Ų | 88 | 65 Ų | 65 | 54% | 0.54 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 173.7 | -50.2 | 0 | 0 | 0 | 0 | 110.8 | H197 R202 G203 L204 | H197-T200 WeakPolarHBondContact O-CB 3.35Å; H197-T200 PolarHBondContact O-N 3.16Å; H197-T200 VanDerWaalsContact O-N 3.12Å; T200-R202 VanDerWaalsContact C-N 3.29Å; T200-R202 PolarHBondContact O-N 3.06Å; T200-G203 PolarHBondContact O-N 3.25Å; T200-L204 PolarHBondContact O-N 2.88Å |
| 201 | Y | 90.7 | Very high | 91.1 | Very high | 34 Ų | 34 | 68.7 Ų | 68.7 | 13% | 0.133 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.6 | -32.1 | 178 | -176.5 | -106.1 | 0 | 0 | 0 | 113.2 | S125 N190 L193 A194 H197 P198 L204 | S125-Y201 PolarHBondContact OG-OH 3.48Å; N190-Y201 WeakPolarHBondContact OD1-CE2 3.4Å; L193-Y201 HydrophobicContact CB-CD2 4.04Å; L193-Y201 WeakPolarHBondContact O-CB 3.14Å; A194-Y201 HydrophobicContact CB-CD1 3.76Å; A194-Y201 HydrophobicContact CB-CD2 4.03Å; A194-Y201 HydrophobicContact CB-CE1 3.75Å; A194-Y201 HydrophobicContact CB-CE2 4.03Å; A194-Y201 HydrophobicContact CB-CG 3.9Å; H197-Y201 PolarHBondContact O-N 3.32Å; P198-Y201 PolarHBondContact O-N 3.45Å; Y201-L204 HydrophobicContact CD2-CD2 4.45Å; Y201-L204 PolarHBondContact O-N 3.5Å |
| 202 | R | 89.6 | Confident | 91.4 | Very high | 205 Ų | 205 | 71.3 Ų | 71.3 | 77% | 0.774 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -66.4 | -37.6 | 177.1 | -172.5 | 173.9 | -178.8 | 169.2 | -0.1 | 112.3 | P198 F199 T200 | P198-R202 WeakPolarHBondContact O-CB 3.4Å; P198-R202 PolarHBondContact O-N 3.05Å; F199-R202 PolarHBondContact O-N 3.07Å; T200-R202 VanDerWaalsContact C-N 3.29Å; T200-R202 PolarHBondContact O-N 3.06Å |
| 203 | G | 90.3 | Very high | 91.6 | Very high | 69 Ų | 69 | 70.8 Ų | 70.8 | 71% | 0.711 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -81.8 | -9.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | F199 T200 | F199-G203 PolarHBondContact O-N 3.37Å; T200-G203 PolarHBondContact O-N 3.25Å |
| 204 | L | 90.3 | Very high | 91.8 | Very high | 42 Ų | 42 | 69.4 Ų | 69.4 | 22% | 0.22 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -69.6 | 132.5 | -177.4 | -168.8 | 73.7 | 0 | 0 | 0 | 111.3 | T200 Y201 K206 Y209 | T200-L204 PolarHBondContact O-N 2.88Å; Y201-L204 HydrophobicContact CD2-CD2 4.45Å; Y201-L204 PolarHBondContact O-N 3.5Å; L204-K206 PolarHBondContact O-N 3.46Å; L204-Y209 HydrophobicContact CD1-CD2 4.19Å; L204-Y209 HydrophobicContact CD1-CG 4.3Å; L204-Y209 HydrophobicContact CD2-CD1 3.67Å; L204-Y209 HydrophobicContact CD2-CD2 4.15Å; L204-Y209 HydrophobicContact CD2-CE1 4.07Å; L204-Y209 HydrophobicContact CD2-CG 3.7Å; L204-Y209 HydrophobicContact CG-CG 4.16Å |
| 205 | P | 91.8 | Very high | 92.2 | Very high | 85 Ų | 85 | 69.8 Ų | 69.8 | 55% | 0.552 | 38% | 0.38 | S | S | * | . | trans | -72.8 | 80.1 | 171 | 30.7 | -34.4 | 0 | 0 | 0 | 110 | H207 T208 Y209 | P205-H207 VanDerWaalsContact C-N 3.34Å; P205-H207 PolarHBondContact O-N 2.95Å; P205-T208 PolarHBondContact O-N 2.85Å; P205-Y209 WeakPolarHBondContact O-CB 3.4Å; P205-Y209 PolarHBondContact O-N 2.64Å | ||
| 206 | K | 89.3 | Confident | 92.7 | Very high | 72 Ų | 72 | 72.3 Ų | 72.3 | 31% | 0.313 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -48.5 | -46.9 | -168.3 | -70.6 | 174.9 | -168.3 | 131 | 0 | 114.4 | I126 C127 L204 A210 | I126-K206 HydrophobicContact CG2-CB 3.38Å; C127-K206 VanDerWaalsContact SG-C 3.6Å; C127-K206 WeakPolarHBondContact SG-CA 3.35Å; C127-K206 WeakPolarHBondContact SG-CB 3.41Å; C127-K206 PolarHBondContact SG-O 3.18Å; L204-K206 PolarHBondContact O-N 3.46Å; K206-A210 WeakPolarHBondContact O-CB 3.05Å; K206-A210 PolarHBondContact O-N 3.44Å |
| 207 | H | 90 | Very high | 93 | Very high | 95 Ų | 95 | 71 Ų | 71 | 44% | 0.44 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.8 | -54.7 | -178.6 | -177.3 | -104.3 | 0 | 0 | 0 | 111.8 | I126 P205 Y209 A210 L211 | I126-H207 HydrophobicContact CG1-CB 4.09Å; I126-H207 HydrophobicContact CG2-CB 4.34Å; P205-H207 VanDerWaalsContact C-N 3.34Å; P205-H207 PolarHBondContact O-N 2.95Å; H207-Y209 VanDerWaalsContact C-N 3.34Å; H207-Y209 PolarHBondContact O-N 3.24Å; H207-A210 PolarHBondContact O-N 3.41Å; H207-L211 WeakPolarHBondContact CE1-CD1 3.41Å; H207-L211 PolarHBondContact O-N 3.26Å |
| 208 | T | 93.4 | Very high | 93.4 | Very high | 83 Ų | 83 | 71.9 Ų | 71.9 | 51% | 0.509 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 178.9 | -50 | 0 | 0 | 0 | 0 | 111.5 | P205 A210 L211 V212 | P205-T208 PolarHBondContact O-N 2.85Å; T208-A210 PolarHBondContact O-N 2.88Å; T208-L211 PolarHBondContact O-N 2.91Å; T208-V212 HydrophobicContact CG2-CG2 4.11Å; T208-V212 WeakPolarHBondContact O-CB 3.24Å; T208-V212 VanDerWaalsContact O-CG2 3.25Å; T208-V212 WeakPolarHBondContact O-CG2 3.28Å; T208-V212 PolarHBondContact O-N 3.33Å |
| 209 | Y | 94.1 | Very high | 93.8 | Very high | 46 Ų | 46 | 71.6 Ų | 71.6 | 18% | 0.18 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -55.4 | -50.9 | 175.4 | 168.8 | -101.9 | 0 | 0 | 0 | 111.5 | F131 L204 P205 H207 T213 | F131-Y209 AromaticContact CE2-CE1 3.99Å; F131-Y209 HydrophobicContact CE2-CE1 3.99Å; F131-Y209 HydrophobicContact CZ-CD1 4.39Å; F131-Y209 AromaticContact CZ-CE1 3.84Å; F131-Y209 HydrophobicContact CZ-CE1 3.84Å; L204-Y209 HydrophobicContact CD1-CD2 4.19Å; L204-Y209 HydrophobicContact CD1-CG 4.3Å; L204-Y209 HydrophobicContact CD2-CD1 3.67Å; L204-Y209 HydrophobicContact CD2-CD2 4.15Å; L204-Y209 HydrophobicContact CD2-CE1 4.07Å; L204-Y209 HydrophobicContact CD2-CG 3.7Å; L204-Y209 HydrophobicContact CG-CG 4.16Å; P205-Y209 WeakPolarHBondContact O-CB 3.4Å; P205-Y209 PolarHBondContact O-N 2.64Å; H207-Y209 VanDerWaalsContact C-N 3.34Å; H207-Y209 PolarHBondContact O-N 3.24Å; Y209-T213 HydrophobicContact CD2-CG2 4.06Å; Y209-T213 HydrophobicContact CE2-CG2 3.73Å; Y209-T213 WeakPolarHBondContact O-CB 3.38Å; Y209-T213 VanDerWaalsContact O-CG2 3.28Å; Y209-T213 WeakPolarHBondContact O-CG2 3.18Å; Y209-T213 PolarHBondContact O-N 3.48Å; Y209-T213 PolarHBondContact O-OG1 2.92Å |
| 210 | A | 93.9 | Very high | 94 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.6 | -40.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | C127 V130 F131 K206 H207 T208 T213 C214 | C127-A210 HydrophobicContact CB-CB 4.29Å; V130-A210 HydrophobicContact CB-CB 3.81Å; V130-A210 HydrophobicContact CG1-CB 3.8Å; V130-A210 HydrophobicContact CG2-CB 4.34Å; F131-A210 HydrophobicContact CE2-CB 4.23Å; F131-A210 HydrophobicContact CZ-CB 4.25Å; K206-A210 WeakPolarHBondContact O-CB 3.05Å; K206-A210 PolarHBondContact O-N 3.44Å; H207-A210 PolarHBondContact O-N 3.41Å; T208-A210 PolarHBondContact O-N 2.88Å; A210-T213 WeakPolarHBondContact CA-OG1 3.17Å; A210-T213 PolarHBondContact O-OG1 3.28Å; A210-C214 WeakPolarHBondContact O-CB 3.46Å; A210-C214 PolarHBondContact O-N 3.26Å; A210-C214 PolarHBondContact O-SG 3.13Å |
| 211 | L | 95.1 | Very high | 94.3 | Very high | 85 Ų | 85 | 61.7 Ų | 61.7 | 45% | 0.445 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.4 | -47.2 | 177.3 | -72.9 | -178 | 0 | 0 | 0 | 112.3 | V130 H207 T208 C214 G215 | V130-L211 HydrophobicContact CG1-CD2 4.07Å; V130-L211 HydrophobicContact CG2-CD2 4.46Å; H207-L211 WeakPolarHBondContact CE1-CD1 3.41Å; H207-L211 PolarHBondContact O-N 3.26Å; T208-L211 PolarHBondContact O-N 2.91Å; L211-C214 PolarHBondContact O-N 3.4Å; L211-G215 PolarHBondContact O-N 2.95Å |
| 212 | V | 96.9 | Very high | 94.5 | Very high | 83 Ų | 83 | 66.4 Ų | 66.4 | 50% | 0.503 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 179.4 | 171 | 0 | 0 | 0 | 0 | 110.3 | T208 G215 L216 | T208-V212 HydrophobicContact CG2-CG2 4.11Å; T208-V212 WeakPolarHBondContact O-CB 3.24Å; T208-V212 VanDerWaalsContact O-CG2 3.25Å; T208-V212 WeakPolarHBondContact O-CG2 3.28Å; T208-V212 PolarHBondContact O-N 3.33Å; V212-G215 PolarHBondContact O-N 3.35Å; V212-L216 HydrophobicContact CG1-CD1 4.13Å; V212-L216 HydrophobicContact CG1-CG 4.43Å; V212-L216 VanDerWaalsContact O-CG 3.32Å; V212-L216 WeakPolarHBondContact O-CG 3.45Å; V212-L216 PolarHBondContact O-N 3.24Å |
| 213 | T | 96.6 | Very high | 94.7 | Very high | 24 Ų | 24 | 62.1 Ų | 62.1 | 15% | 0.147 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 178.6 | 48.2 | 0 | 0 | 0 | 0 | 112.3 | F131 Y209 A210 L216 V217 | F131-T213 WeakPolarHBondContact CE1-OG1 3.48Å; F131-T213 WeakPolarHBondContact CZ-OG1 3.11Å; Y209-T213 HydrophobicContact CD2-CG2 4.06Å; Y209-T213 HydrophobicContact CE2-CG2 3.73Å; Y209-T213 WeakPolarHBondContact O-CB 3.38Å; Y209-T213 VanDerWaalsContact O-CG2 3.28Å; Y209-T213 WeakPolarHBondContact O-CG2 3.18Å; Y209-T213 PolarHBondContact O-N 3.48Å; Y209-T213 PolarHBondContact O-OG1 2.92Å; A210-T213 WeakPolarHBondContact CA-OG1 3.17Å; A210-T213 PolarHBondContact O-OG1 3.28Å; T213-L216 PolarHBondContact O-N 3.15Å; T213-V217 WeakPolarHBondContact O-CG2 3.41Å; T213-V217 PolarHBondContact O-N 2.92Å |
| 214 | C | 97.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.02 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 174.3 | -67.6 | 0 | 0 | 0 | 0 | 111.8 | F131 A210 L211 L216 V217 W218 | F131-C214 WeakPolarHBondContact CD1-SG 3.41Å; A210-C214 WeakPolarHBondContact O-CB 3.46Å; A210-C214 PolarHBondContact O-N 3.26Å; A210-C214 PolarHBondContact O-SG 3.13Å; L211-C214 PolarHBondContact O-N 3.4Å; C214-L216 VanDerWaalsContact C-N 3.31Å; C214-L216 PolarHBondContact O-N 2.96Å; C214-V217 PolarHBondContact O-N 2.91Å; C214-V217 VanDerWaalsContact O-N 3.16Å; C214-W218 PolarHBondContact O-N 3.38Å |
| 215 | G | 97.8 | Very high | 94.9 | Very high | 43 Ų | 43 | 58.9 Ų | 58.9 | 44% | 0.443 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.2 | -41.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L211 V212 W218 A219 | L211-G215 PolarHBondContact O-N 2.95Å; V212-G215 PolarHBondContact O-N 3.35Å; G215-W218 PolarHBondContact O-N 2.96Å; G215-A219 WeakPolarHBondContact O-CB 3.46Å; G215-A219 PolarHBondContact O-N 3.11Å |
| 216 | L | 97.7 | Very high | 94.8 | Very high | 107 Ų | 107 | 57.9 Ų | 57.9 | 56% | 0.56 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.1 | -43.1 | 173.9 | -71.2 | 173.9 | 0 | 0 | 0 | 111.8 | V212 T213 C214 A219 T220 | V212-L216 HydrophobicContact CG1-CD1 4.13Å; V212-L216 HydrophobicContact CG1-CG 4.43Å; V212-L216 VanDerWaalsContact O-CG 3.32Å; V212-L216 WeakPolarHBondContact O-CG 3.45Å; V212-L216 PolarHBondContact O-N 3.24Å; T213-L216 PolarHBondContact O-N 3.15Å; C214-L216 VanDerWaalsContact C-N 3.31Å; C214-L216 PolarHBondContact O-N 2.96Å; L216-A219 PolarHBondContact O-N 2.83Å; L216-T220 WeakPolarHBondContact O-CB 3.19Å; L216-T220 PolarHBondContact O-N 2.75Å; L216-T220 PolarHBondContact O-OG1 3.26Å |
| 217 | V | 97.8 | Very high | 94.7 | Very high | 9 Ų | 9 | 55.5 Ų | 55.5 | 6% | 0.055 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.5 | -49.4 | 176.7 | 171 | 0 | 0 | 0 | 0 | 111 | L182 L183 T213 C214 A219 T220 V221 | L182-V217 HydrophobicContact CB-CB 4.5Å; L182-V217 HydrophobicContact CB-CG1 3.72Å; L182-V217 HydrophobicContact CB-CG2 4.01Å; L182-V217 HydrophobicContact CD1-CG1 4.21Å; L183-V217 HydrophobicContact CD2-CB 4.43Å; L183-V217 HydrophobicContact CD2-CG1 4.22Å; L183-V217 HydrophobicContact CD2-CG2 4.46Å; L183-V217 HydrophobicContact CG-CG1 4.07Å; T213-V217 WeakPolarHBondContact O-CG2 3.41Å; T213-V217 PolarHBondContact O-N 2.92Å; C214-V217 PolarHBondContact O-N 2.91Å; C214-V217 VanDerWaalsContact O-N 3.16Å; V217-A219 VanDerWaalsContact C-N 3.34Å; V217-A219 PolarHBondContact O-N 3.44Å; V217-T220 PolarHBondContact O-N 3.26Å; V217-V221 HydrophobicContact CG1-CG2 4.29Å; V217-V221 VanDerWaalsContact O-CG2 3.3Å; V217-V221 WeakPolarHBondContact O-CG2 3.35Å; V217-V221 PolarHBondContact O-N 3.12Å |
| 218 | W | 97.5 | Very high | 94.4 | Very high | 93 Ų | 93 | 51.4 Ų | 51.4 | 35% | 0.352 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 177.6 | -80.1 | 105.1 | 0 | 0 | 0 | 112.4 | N134 I137 A138 L141 C214 G215 V221 F222 | N134-W218 PolarHBondContact OD1-NE1 3.49Å; I137-W218 HydrophobicContact CG2-CZ2 4.31Å; A138-W218 HydrophobicContact CB-CH2 4.4Å; A138-W218 HydrophobicContact CB-CZ2 4.5Å; L141-W218 HydrophobicContact CD1-CH2 4.47Å; C214-W218 PolarHBondContact O-N 3.38Å; G215-W218 PolarHBondContact O-N 2.96Å; W218-V221 PolarHBondContact O-N 3.01Å; W218-F222 WeakPolarHBondContact O-CB 3.44Å; W218-F222 PolarHBondContact O-N 3.01Å |
| 219 | A | 97.6 | Very high | 94.1 | Very high | 60 Ų | 60 | 53.3 Ų | 53.3 | 50% | 0.496 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G215 L216 V217 F222 L223 | G215-A219 WeakPolarHBondContact O-CB 3.46Å; G215-A219 PolarHBondContact O-N 3.11Å; L216-A219 PolarHBondContact O-N 2.83Å; V217-A219 VanDerWaalsContact C-N 3.34Å; V217-A219 PolarHBondContact O-N 3.44Å; A219-F222 PolarHBondContact O-N 3.42Å; A219-L223 PolarHBondContact O-N 3.29Å |
| 220 | T | 95.9 | Very high | 93.6 | Very high | 50 Ų | 50 | 55.7 Ų | 55.7 | 31% | 0.307 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 176.1 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | L182 L216 V217 L223 Y224 | L182-T220 HydrophobicContact CD1-CG2 4.13Å; L216-T220 WeakPolarHBondContact O-CB 3.19Å; L216-T220 PolarHBondContact O-N 2.75Å; L216-T220 PolarHBondContact O-OG1 3.26Å; V217-T220 PolarHBondContact O-N 3.26Å; T220-L223 PolarHBondContact O-N 3.06Å; T220-Y224 HydrophobicContact CG2-CD2 4.07Å; T220-Y224 HydrophobicContact CG2-CE1 4.44Å; T220-Y224 HydrophobicContact CG2-CE2 3.62Å; T220-Y224 PolarHBondContact O-N 2.77Å |
| 221 | V | 95.9 | Very high | 93 | Very high | 7 Ų | 7 | 58.8 Ų | 58.8 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63 | -44.4 | 177.6 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | G175 C179 L182 V217 W218 L223 Y224 M225 | G175-V221 WeakPolarHBondContact O-CG1 3.49Å; C179-V221 HydrophobicContact CB-CG1 4.47Å; C179-V221 HydrophobicContact CB-CG2 3.92Å; L182-V221 HydrophobicContact CD1-CG2 4.07Å; V217-V221 HydrophobicContact CG1-CG2 4.29Å; V217-V221 VanDerWaalsContact O-CG2 3.3Å; V217-V221 WeakPolarHBondContact O-CG2 3.35Å; V217-V221 PolarHBondContact O-N 3.12Å; W218-V221 PolarHBondContact O-N 3.01Å; V221-L223 VanDerWaalsContact C-N 3.31Å; V221-L223 PolarHBondContact O-N 3.02Å; V221-Y224 PolarHBondContact O-N 2.58Å; V221-M225 HydrophobicContact CG1-CG 4.13Å; V221-M225 VanDerWaalsContact O-CG 3.27Å; V221-M225 WeakPolarHBondContact O-CG 3.21Å; V221-M225 PolarHBondContact O-N 3.3Å |
| 222 | F | 95.2 | Very high | 92.2 | Very high | 134 Ų | 134 | 59.9 Ų | 59.9 | 59% | 0.588 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -57.2 | -45.5 | 175.8 | 178.4 | -98.3 | 0 | 0 | 0 | 111.7 | W218 A219 Y224 M225 L226 | W218-F222 WeakPolarHBondContact O-CB 3.44Å; W218-F222 PolarHBondContact O-N 3.01Å; A219-F222 PolarHBondContact O-N 3.42Å; F222-Y224 PolarHBondContact O-N 3.3Å; F222-M225 PolarHBondContact O-N 3.46Å; F222-L226 HydrophobicContact CE1-CD1 4.01Å; F222-L226 HydrophobicContact CZ-CD1 4.32Å; F222-L226 PolarHBondContact O-N 2.81Å |
| 223 | L | 94.1 | Very high | 91.5 | Very high | 115 Ų | 115 | 56.5 Ų | 56.5 | 60% | 0.602 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.4 | -42.8 | 176.7 | -178.7 | 62.7 | 0 | 0 | 0 | 112.1 | A219 T220 V221 M225 L226 | A219-L223 PolarHBondContact O-N 3.29Å; T220-L223 PolarHBondContact O-N 3.06Å; V221-L223 VanDerWaalsContact C-N 3.31Å; V221-L223 PolarHBondContact O-N 3.02Å; L223-M225 VanDerWaalsContact C-N 3.34Å; L223-M225 PolarHBondContact O-N 3.49Å; L223-L226 VanDerWaalsContact O-CB 3.31Å; L223-L226 WeakPolarHBondContact O-CB 3.26Å; L223-L226 PolarHBondContact O-N 2.92Å |
| 224 | Y | 91.3 | Very high | 90.7 | Very high | 38 Ų | 38 | 57.6 Ų | 57.6 | 15% | 0.149 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.4 | -35.2 | 176.4 | -75.9 | -14.7 | 0 | 0 | 0 | 113.3 | T220 V221 F222 L226 P227 Y262 L266 F269 | T220-Y224 HydrophobicContact CG2-CD2 4.07Å; T220-Y224 HydrophobicContact CG2-CE1 4.44Å; T220-Y224 HydrophobicContact CG2-CE2 3.62Å; T220-Y224 PolarHBondContact O-N 2.77Å; V221-Y224 PolarHBondContact O-N 2.58Å; F222-Y224 PolarHBondContact O-N 3.3Å; Y224-L226 VanDerWaalsContact C-N 3.32Å; Y224-P227 WeakPolarHBondContact O-CD 3.48Å; Y224-Y262 WeakPolarHBondContact O-CE2 3.43Å; Y224-Y262 PolarHBondContact O-OH 2.86Å; Y224-L266 HydrophobicContact CD1-CD2 4.19Å; Y224-L266 HydrophobicContact CD2-CD2 3.92Å; Y224-L266 HydrophobicContact CG-CD2 3.69Å; Y224-F269 WeakPolarHBondContact OH-CB 3.47Å |
| 225 | M | 93 | Very high | 89.8 | Confident | 5 Ų | 5 | 58.5 Ų | 58.5 | 3% | 0.025 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -84.4 | -6.6 | -179.8 | -62.1 | -55.4 | 107.1 | 0 | 0 | 113.3 | V171 Y174 G175 Y178 V221 F222 L223 F228 F229 L266 | V171-M225 HydrophobicContact CG1-CB 3.92Å; V171-M225 HydrophobicContact CG1-CG 4.28Å; V171-M225 HydrophobicContact CG2-CB 4.4Å; Y174-M225 WeakPolarHBondContact CB-SD 3.14Å; G175-M225 PolarHBondContact N-SD 2.92Å; Y178-M225 HydrophobicContact CD2-CE 3.42Å; Y178-M225 VanDerWaalsContact CD2-CE 3.42Å; Y178-M225 HydrophobicContact CE2-CE 3.88Å; Y178-M225 HydrophobicContact CG-CE 4.42Å; V221-M225 HydrophobicContact CG1-CG 4.13Å; V221-M225 VanDerWaalsContact O-CG 3.27Å; V221-M225 WeakPolarHBondContact O-CG 3.21Å; V221-M225 PolarHBondContact O-N 3.3Å; F222-M225 PolarHBondContact O-N 3.46Å; L223-M225 VanDerWaalsContact C-N 3.34Å; L223-M225 PolarHBondContact O-N 3.49Å; M225-F228 HydrophobicContact CE-CD2 4.37Å; M225-F228 HydrophobicContact CE-CE2 4.26Å; M225-F228 WeakPolarHBondContact O-CB 3.34Å; M225-F228 PolarHBondContact O-N 3.4Å; M225-F228 HydrophobicContact SD-CD2 3.71Å; M225-F228 HydrophobicContact SD-CE2 4.07Å; M225-F229 PolarHBondContact O-N 3.11Å; M225-L266 HydrophobicContact CE-CD2 4.4Å |
| 226 | L | 90.3 | Very high | 88.8 | Confident | 64 Ų | 64 | 60.7 Ų | 60.7 | 34% | 0.335 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -55 | -42.6 | -176.9 | -166 | 114.5 | 0 | 0 | 0 | 113.3 | F222 L223 Y224 F228 F229 I230 | F222-L226 HydrophobicContact CE1-CD1 4.01Å; F222-L226 HydrophobicContact CZ-CD1 4.32Å; F222-L226 PolarHBondContact O-N 2.81Å; L223-L226 VanDerWaalsContact O-CB 3.31Å; L223-L226 WeakPolarHBondContact O-CB 3.26Å; L223-L226 PolarHBondContact O-N 2.92Å; Y224-L226 VanDerWaalsContact C-N 3.32Å; L226-F228 PolarHBondContact O-N 3.19Å; L226-F229 WeakPolarHBondContact O-CB 3.05Å; L226-F229 PolarHBondContact O-N 2.82Å; L226-F229 VanDerWaalsContact O-N 3.16Å; L226-I230 HydrophobicContact CD1-CD1 4.4Å; L226-I230 HydrophobicContact CD2-CD1 3.57Å; L226-I230 HydrophobicContact CG-CD1 3.68Å; L226-I230 HydrophobicContact CG-CG1 4.43Å; L226-I230 WeakPolarHBondContact O-CG1 3.39Å; L226-I230 PolarHBondContact O-N 3.31Å |
| 227 | P | 87.1 | Confident | 87.6 | Confident | 21 Ų | 21 | 55.6 Ų | 55.6 | 14% | 0.136 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.8 | -41 | 175 | -25.9 | 39 | 0 | 0 | 0 | 113 | Y224 F229 I230 L231 F258 Y262 | Y224-P227 WeakPolarHBondContact O-CD 3.48Å; P227-F229 PolarHBondContact O-N 2.9Å; P227-I230 PolarHBondContact O-N 2.9Å; P227-L231 HydrophobicContact CB-CD1 4.11Å; P227-L231 WeakPolarHBondContact O-CB 3.37Å; P227-L231 VanDerWaalsContact O-CG 3.27Å; P227-L231 WeakPolarHBondContact O-CG 3.46Å; P227-L231 PolarHBondContact O-N 2.98Å; P227-F258 HydrophobicContact CG-CZ 4.46Å; P227-Y262 HydrophobicContact CB-CE2 4.32Å; P227-Y262 HydrophobicContact CG-CD2 4.04Å; P227-Y262 HydrophobicContact CG-CE2 3.6Å |
| 228 | F | 84.8 | Confident | 86.2 | Confident | 10 Ų | 10 | 57.7 Ų | 57.7 | 4% | 0.044 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.2 | -25.9 | 176.2 | -61.1 | -51.9 | 0 | 0 | 0 | 113.2 | T170 V171 Y174 M225 L226 H246 Y262 F263 | T170-F228 HydrophobicContact CG2-CB 4.2Å; T170-F228 HydrophobicContact CG2-CD1 4.24Å; T170-F228 HydrophobicContact CG2-CG 4.23Å; V171-F228 HydrophobicContact CG2-CB 3.85Å; Y174-F228 HydrophobicContact CD2-CE2 4.27Å; Y174-F228 HydrophobicContact CD2-CZ 4.46Å; Y174-F228 HydrophobicContact CG-CE2 4.12Å; M225-F228 HydrophobicContact CE-CD2 4.37Å; M225-F228 HydrophobicContact CE-CE2 4.26Å; M225-F228 WeakPolarHBondContact O-CB 3.34Å; M225-F228 PolarHBondContact O-N 3.4Å; M225-F228 HydrophobicContact SD-CD2 3.71Å; M225-F228 HydrophobicContact SD-CE2 4.07Å; L226-F228 PolarHBondContact O-N 3.19Å; F228-H246 AromaticContact CE1-NE2 3.72Å; F228-Y262 WeakPolarHBondContact CD2-OH 3.47Å; F228-Y262 HydrophobicContact CE1-CE1 4.26Å; F228-Y262 HydrophobicContact CE2-CE1 4.22Å; F228-Y262 WeakPolarHBondContact CE2-OH 3.19Å; F228-Y262 AromaticContact CZ-CE1 3.81Å; F228-Y262 HydrophobicContact CZ-CE1 3.81Å; F228-Y262 WeakPolarHBondContact CZ-OH 3.27Å; F228-F263 HydrophobicContact CE1-CZ 4.47Å; F228-F263 HydrophobicContact CZ-CE1 4.17Å; F228-F263 HydrophobicContact CZ-CZ 4.44Å |
| 229 | F | 86 | Confident | 84.8 | Confident | 122 Ų | 122 | 59.4 Ų | 59.4 | 54% | 0.535 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -78.6 | -38.9 | 177.4 | -175.3 | -99.2 | 0 | 0 | 0 | 112.7 | R167 V171 M225 L226 P227 | R167-F229 WeakPolarHBondContact CD-O 3.41Å; R167-F229 PolarHBondContact NH1-O 3.38Å; V171-F229 HydrophobicContact CG2-CB 4.05Å; M225-F229 PolarHBondContact O-N 3.11Å; L226-F229 WeakPolarHBondContact O-CB 3.05Å; L226-F229 PolarHBondContact O-N 2.82Å; L226-F229 VanDerWaalsContact O-N 3.16Å; P227-F229 PolarHBondContact O-N 2.9Å |
| 230 | I | 83.8 | Confident | 83.1 | Confident | 97 Ų | 97 | 59 Ų | 59 | 50% | 0.497 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -90.9 | -42.4 | -172.7 | -60.1 | 172.4 | 0 | 0 | 0 | 111.6 | R167 L226 P227 | R167-I230 PolarHBondContact NH1-O 3.45Å; L226-I230 HydrophobicContact CD1-CD1 4.4Å; L226-I230 HydrophobicContact CD2-CD1 3.57Å; L226-I230 HydrophobicContact CG-CD1 3.68Å; L226-I230 HydrophobicContact CG-CG1 4.43Å; L226-I230 WeakPolarHBondContact O-CG1 3.39Å; L226-I230 PolarHBondContact O-N 3.31Å; P227-I230 PolarHBondContact O-N 2.9Å |
| 231 | L | 82.3 | Confident | 82.4 | Confident | 64 Ų | 64 | 61.5 Ų | 61.5 | 34% | 0.335 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -74.9 | 151 | -176.8 | -60.2 | 175.4 | 0 | 0 | 0 | 111.3 | P227 Q233 | P227-L231 HydrophobicContact CB-CD1 4.11Å; P227-L231 WeakPolarHBondContact O-CB 3.37Å; P227-L231 VanDerWaalsContact O-CG 3.27Å; P227-L231 WeakPolarHBondContact O-CG 3.46Å; P227-L231 PolarHBondContact O-N 2.98Å; L231-Q233 PolarHBondContact O-N 3.01Å; L231-Q233 PolarHBondContact O-NE2 3.29Å; L231-Q233 VanDerWaalsContact O-NE2 3.14Å |
| 232 | K | 77.9 | Confident | 81.8 | Confident | 109 Ų | 109 | 62 Ų | 62 | 47% | 0.474 | 30% | 0.301 | S | S | . | . | trans | -65.6 | 132.3 | 178.7 | -172.8 | 171.2 | 176.1 | 177.4 | 0 | 110.6 | E163 E234 Y235 | E163-K232 WeakPolarHBondContact OE1-CA 3.47Å; E163-K232 WeakPolarHBondContact OE1-CG 3.46Å; K232-E234 WeakPolarHBondContact CE-O 3.4Å; K232-Y235 HydrophobicContact CD-CE1 4.45Å; K232-Y235 HydrophobicContact CG-CE1 4.46Å; K232-Y235 WeakPolarHBondContact O-CE2 3.21Å; K232-Y235 PolarHBondContact O-OH 2.96Å | ||
| 233 | Q | 81.8 | Confident | 81.2 | Confident | 12 Ų | 12 | 56.8 Ų | 56.8 | 6% | 0.056 | 28% | 0.28 | C | S | . | . | trans | -114.6 | -25.3 | -177.5 | -59.6 | -55 | -46.6 | 0 | 0 | 112.9 | E163 C166 R167 L231 H246 | E163-Q233 PolarHBondContact OE1-N 3.41Å; E163-Q233 PolarHBondContact OE2-N 3.21Å; C166-Q233 WeakPolarHBondContact SG-CB 3.19Å; R167-Q233 HydrophobicContact CG-CB 4.28Å; R167-Q233 HydrophobicContact CG-CG 3.85Å; L231-Q233 PolarHBondContact O-N 3.01Å; L231-Q233 PolarHBondContact O-NE2 3.29Å; L231-Q233 VanDerWaalsContact O-NE2 3.14Å; Q233-H246 PolarHBondContact O-N 3.46Å; Q233-H246 PolarHBondContact OE1-CD2 3.05Å; Q233-H246 VanDerWaalsContact OE1-CD2 3.32Å | ||
| 234 | E | 80.7 | Confident | 80.6 | Confident | 47 Ų | 47 | 51.3 Ų | 51.3 | 22% | 0.22 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 124.6 | 176.3 | -173.8 | -175 | 133.6 | 0 | 0 | 111.6 | G162 E163 K232 T243 T244 | G162-E234 VanDerWaalsContact CA-OE2 3.26Å; G162-E234 WeakPolarHBondContact CA-OE2 3.49Å; E163-E234 WeakPolarHBondContact CA-OE2 3.41Å; E163-E234 HydrophobicContact CB-CB 4.37Å; E163-E234 PolarHBondContact N-OE2 2.96Å; E163-E234 WeakPolarHBondContact OE2-CA 3.26Å; E163-E234 WeakPolarHBondContact OE2-CB 3.17Å; E163-E234 PolarHBondContact OE2-N 3.41Å; K232-E234 WeakPolarHBondContact CE-O 3.4Å; E234-T243 HydrophobicContact CG-CG2 3.19Å; E234-T243 WeakPolarHBondContact OE1-CG2 3.27Å; E234-T244 WeakPolarHBondContact CA-O 3.36Å |
| 235 | Y | 77.8 | Confident | 80.3 | Confident | 22 Ų | 22 | 49.6 Ų | 49.6 | 9% | 0.086 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 129.7 | 178 | -64.9 | -83.9 | 0 | 0 | 0 | 111.6 | K232 T244 V248 D250 | K232-Y235 HydrophobicContact CD-CE1 4.45Å; K232-Y235 HydrophobicContact CG-CE1 4.46Å; K232-Y235 WeakPolarHBondContact O-CE2 3.21Å; K232-Y235 PolarHBondContact O-OH 2.96Å; Y235-T244 PolarHBondContact N-O 3.17Å; Y235-T244 PolarHBondContact O-N 3.18Å; Y235-T244 PolarHBondContact O-OG1 2.77Å; Y235-V248 WeakPolarHBondContact CD2-O 3.46Å; Y235-D250 HydrophobicContact CD1-CB 4.23Å; Y235-D250 HydrophobicContact CE1-CB 3.67Å |
| 236 | Y | 76.7 | Confident | 79.7 | Confident | 89 Ų | 89 | 51 Ų | 51 | 35% | 0.349 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 132 | 175.1 | 177 | -103.7 | 0 | 0 | 0 | 111.1 | S76 V238 D241 | S76-Y236 WeakPolarHBondContact O-CD1 3.34Å; Y236-V238 HydrophobicContact CE1-CG2 4.49Å; Y236-D241 WeakPolarHBondContact CE2-OD1 3.34Å; Y236-D241 PolarHBondContact OH-OD1 3.38Å |
| 237 | L | 72 | Confident | 78.4 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 124.1 | 179.6 | -57.2 | -177.8 | 0 | 0 | 0 | 109.8 | L78 V80 L88 Q239 D241 I242 T244 V248 | L78-L237 HydrophobicContact CB-CD2 3.83Å; L78-L237 HydrophobicContact CD2-CD2 4.31Å; V80-L237 HydrophobicContact CG2-CD1 3.96Å; V80-L237 HydrophobicContact CG2-CD2 3.58Å; V80-L237 HydrophobicContact CG2-CG 4.25Å; L88-L237 HydrophobicContact CD1-CD1 3.89Å; L237-Q239 VanDerWaalsContact C-N 3.3Å; L237-Q239 PolarHBondContact O-N 3.22Å; L237-D241 WeakPolarHBondContact O-CA 3.26Å; L237-D241 PolarHBondContact O-N 3.34Å; L237-D241 VanDerWaalsContact O-N 3.08Å; L237-I242 HydrophobicContact CB-CG1 4.25Å; L237-I242 WeakPolarHBondContact CB-O 3.42Å; L237-I242 HydrophobicContact CD1-CD1 4.2Å; L237-I242 HydrophobicContact CD1-CG1 3.95Å; L237-I242 HydrophobicContact CG-CG1 4.42Å; L237-I242 PolarHBondContact N-O 3.46Å; L237-I242 PolarHBondContact O-N 3.44Å; L237-T244 HydrophobicContact CD1-CG2 3.5Å; L237-T244 VanDerWaalsContact CD1-CG2 3.5Å; L237-T244 HydrophobicContact CG-CG2 4.12Å; L237-V248 HydrophobicContact CD1-CG2 4.23Å; L237-V248 HydrophobicContact CD2-CG1 4.32Å |
| 238 | V | 68.3 | Low | 77.2 | Confident | 52 Ų | 52 | 48.5 Ų | 48.5 | 32% | 0.315 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -35.1 | -178.4 | -171.3 | 0 | 0 | 0 | 0 | 112.4 | H77 Y236 D241 | H77-V238 HydrophobicContact CB-CG2 3.5Å; H77-V238 VanDerWaalsContact CB-CG2 3.5Å; H77-V238 WeakPolarHBondContact ND1-CG2 3.33Å; Y236-V238 HydrophobicContact CE1-CG2 4.49Å; V238-D241 PolarHBondContact O-N 2.95Å |
| 239 | Q | 67.3 | Low | 75.9 | Confident | 130 Ų | 130 | 51.3 Ų | 51.3 | 61% | 0.607 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.8 | 114.1 | 172.6 | -70.3 | 172.8 | -9.3 | 0 | 0 | 104.4 | M85 L237 | M85-Q239 HydrophobicContact CE-CB 4.26Å; M85-Q239 WeakPolarHBondContact CE-O 3.3Å; L237-Q239 VanDerWaalsContact C-N 3.3Å; L237-Q239 PolarHBondContact O-N 3.22Å |
| 240 | P | 63.4 | Low | 74.1 | Confident | 52 Ų | 52 | 46.7 Ų | 46.7 | 34% | 0.338 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -97.9 | 33.7 | 20.4 | 38.3 | -33.9 | 0 | 0 | 0 | 116.1 | M85 I242 | M85-P240 HydrophobicContact SD-CB 4Å; M85-P240 VanDerWaalsContact SD-CD 3.55Å; M85-P240 HydrophobicContact SD-CG 3.83Å; P240-I242 HydrophobicContact CG-CD1 3.64Å; P240-I242 HydrophobicContact CG-CG1 3.77Å; P240-I242 HydrophobicContact CG-CG2 4.14Å |
| 241 | D | 81.3 | Confident | 72.3 | Confident | 101 Ų | 101 | 45.8 Ų | 45.8 | 54% | 0.54 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 54.2 | -176.8 | -167.2 | 17.4 | 0 | 0 | 0 | 112.7 | Y236 L237 V238 | Y236-D241 WeakPolarHBondContact CE2-OD1 3.34Å; Y236-D241 PolarHBondContact OH-OD1 3.38Å; L237-D241 WeakPolarHBondContact O-CA 3.26Å; L237-D241 PolarHBondContact O-N 3.34Å; L237-D241 VanDerWaalsContact O-N 3.08Å; V238-D241 PolarHBondContact O-N 2.95Å |
| 242 | I | 83 | Confident | 70.2 | Confident | 19 Ų | 19 | 45.9 Ų | 45.9 | 10% | 0.097 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 154.1 | -179.4 | 65.3 | 176 | 0 | 0 | 0 | 111 | L88 N157 N158 L237 P240 T244 | L88-I242 HydrophobicContact CD1-CD1 4.29Å; L88-I242 HydrophobicContact CD2-CD1 4.39Å; N157-I242 HydrophobicContact CB-CD1 4.42Å; N158-I242 HydrophobicContact CB-CB 4.16Å; N158-I242 HydrophobicContact CB-CG2 4.15Å; L237-I242 HydrophobicContact CB-CG1 4.25Å; L237-I242 WeakPolarHBondContact CB-O 3.42Å; L237-I242 HydrophobicContact CD1-CD1 4.2Å; L237-I242 HydrophobicContact CD1-CG1 3.95Å; L237-I242 HydrophobicContact CG-CG1 4.42Å; L237-I242 PolarHBondContact N-O 3.46Å; L237-I242 PolarHBondContact O-N 3.44Å; P240-I242 HydrophobicContact CG-CD1 3.64Å; P240-I242 HydrophobicContact CG-CG1 3.77Å; P240-I242 HydrophobicContact CG-CG2 4.14Å; I242-T244 HydrophobicContact CD1-CG2 3.95Å; I242-T244 HydrophobicContact CG1-CG2 4.15Å |
| 243 | T | 83 | Confident | 68.8 | Low | 24 Ų | 24 | 44.8 Ų | 44.8 | 15% | 0.147 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 114.7 | 171.4 | -57.9 | 0 | 0 | 0 | 0 | 109 | N158 W159 E234 | N158-T243 CarbonylContact C-O 3.57Å; N158-T243 WeakPolarHBondContact CA-O 3.01Å; N158-T243 PolarHBondContact OD1-N 2.95Å; W159-T243 HydrophobicContact CB-CG2 4.36Å; W159-T243 WeakPolarHBondContact CB-O 3.33Å; W159-T243 PolarHBondContact N-O 2.85Å; E234-T243 HydrophobicContact CG-CG2 3.19Å; E234-T243 WeakPolarHBondContact OE1-CG2 3.27Å |
| 244 | T | 81.9 | Confident | 66.9 | Low | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 148.2 | 178 | 58.4 | 0 | 0 | 0 | 0 | 110.9 | L88 E234 Y235 L237 I242 V248 | L88-T244 HydrophobicContact CD2-CG2 4.24Å; E234-T244 WeakPolarHBondContact CA-O 3.36Å; Y235-T244 PolarHBondContact N-O 3.17Å; Y235-T244 PolarHBondContact O-N 3.18Å; Y235-T244 PolarHBondContact O-OG1 2.77Å; L237-T244 HydrophobicContact CD1-CG2 3.5Å; L237-T244 VanDerWaalsContact CD1-CG2 3.5Å; L237-T244 HydrophobicContact CG-CG2 4.12Å; I242-T244 HydrophobicContact CD1-CG2 3.95Å; I242-T244 HydrophobicContact CG1-CG2 4.15Å; T244-V248 HydrophobicContact CG2-CG2 4.1Å |
| 245 | C | 83.9 | Confident | 65.6 | Low | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 111.4 | 174.7 | 173.1 | 0 | 0 | 0 | 0 | 109.4 | W159 C166 D247 | W159-C245 HydrophobicContact CB-CB 3.98Å; W159-C245 HydrophobicContact CD2-CB 3.67Å; W159-C245 HydrophobicContact CE3-CB 3.76Å; W159-C245 HydrophobicContact CG-CB 3.76Å; C166-C245 WeakPolarHBondContact CA-SG 3.43Å; C166-C245 HydrophobicContact CB-CB 4.02Å; C166-C245 WeakPolarHBondContact CB-SG 3.24Å; C166-C245 WeakPolarHBondContact SG-CA 3.42Å; C166-C245 WeakPolarHBondContact SG-CB 3.44Å; C166-C245 CovalentContact SG-SG 2.03Å; C166-C245 PolarHBondContact SG-SG 2.97Å; C245-D247 PolarHBondContact O-N 3.48Å |
| 246 | H | 79.9 | Confident | 64.9 | Low | 34 Ų | 34 | 49.7 Ų | 49.7 | 16% | 0.157 | 28% | 0.277 | C | S | . | . | S | Bend | trans | 63.2 | -21.5 | -179.3 | -178.7 | -76.5 | 0 | 0 | 0 | 116 | T170 Y174 F228 Q233 V248 | T170-H246 HydrophobicContact CG2-CB 4.23Å; T170-H246 WeakPolarHBondContact CG2-CD2 3.38Å; Y174-H246 AromaticContact CE2-CE1 3.47Å; Y174-H246 VanDerWaalsContact CE2-CE1 3.47Å; Y174-H246 WeakPolarHBondContact CE2-CE1 3.18Å; Y174-H246 AromaticContact CE2-NE2 3.43Å; Y174-H246 WeakPolarHBondContact CE2-NE2 3.43Å; Y174-H246 AromaticContact CZ-CE1 3.51Å; Y174-H246 AromaticContact CZ-NE2 3.8Å; Y174-H246 PolarHBondContact OH-CE1 3.43Å; F228-H246 AromaticContact CE1-NE2 3.72Å; Q233-H246 PolarHBondContact O-N 3.46Å; Q233-H246 PolarHBondContact OE1-CD2 3.05Å; Q233-H246 VanDerWaalsContact OE1-CD2 3.32Å; H246-V248 PolarHBondContact O-N 3.34Å |
| 247 | D | 63.9 | Low | 64.5 | Low | 19 Ų | 19 | 49 Ų | 49 | 10% | 0.102 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -67.7 | -19.7 | -175.2 | -71.9 | -18.8 | 0 | 0 | 0 | 114.3 | Y152 C245 Y337 | Y152-D247 WeakPolarHBondContact CE1-OD2 3.21Å; Y152-D247 VanDerWaalsContact CZ-OD2 3.28Å; Y152-D247 PolarHBondContact OH-OD2 2.94Å; C245-D247 PolarHBondContact O-N 3.48Å; D247-Y337 PolarHBondContact O-OH 3.29Å |
| 248 | V | 62.1 | Low | 64.7 | Low | 15 Ų | 15 | 54.7 Ų | 54.7 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -127.9 | 132 | 177.8 | -174.7 | 0 | 0 | 0 | 0 | 109.2 | L78 T84 Y235 L237 T244 H246 | L78-V248 HydrophobicContact CD2-CG1 3.28Å; T84-V248 HydrophobicContact CG2-CG2 4.5Å; Y235-V248 WeakPolarHBondContact CD2-O 3.46Å; L237-V248 HydrophobicContact CD1-CG2 4.23Å; L237-V248 HydrophobicContact CD2-CG1 4.32Å; T244-V248 HydrophobicContact CG2-CG2 4.1Å; H246-V248 PolarHBondContact O-N 3.34Å |
| 249 | H | 57.1 | Low | 65 | Low | 69 Ų | 69 | 53.4 Ų | 53.4 | 32% | 0.319 | 30% | 0.299 | S | S | . | . | trans | -97.5 | 140.9 | 173.4 | -152 | 72.1 | 0 | 0 | 0 | 109.5 | T251 Q259 | H249-T251 PolarHBondContact O-N 2.92Å; H249-Q259 PolarHBondContact CD2-NE2 2.85Å; H249-Q259 VanDerWaalsContact CD2-NE2 3.26Å; H249-Q259 PolarHBondContact CE1-NE2 3.4Å; H249-Q259 VanDerWaalsContact CE1-NE2 3.32Å; H249-Q259 PolarHBondContact NE2-NE2 3.03Å; H249-Q259 PolarHBondContact NE2-OE1 3.2Å | ||
| 250 | D | 48.8 | Very low | 65.3 | Low | 25 Ų | 25 | 49 Ų | 49 | 13% | 0.134 | 28% | 0.279 | C | S | . | . | trans | -62.5 | 126.4 | 177.6 | -167.5 | -9.1 | 0 | 0 | 0 | 110.1 | L78 Y235 C252 E253 | L78-D250 HydrophobicContact CD1-CB 4.28Å; L78-D250 WeakPolarHBondContact CD1-OD1 3.4Å; Y235-D250 HydrophobicContact CD1-CB 4.23Å; Y235-D250 HydrophobicContact CE1-CB 3.67Å; D250-C252 VanDerWaalsContact OD1-CB 3.24Å; D250-C252 WeakPolarHBondContact OD1-CB 2.9Å; D250-C252 PolarHBondContact OD1-N 2.86Å; D250-E253 HydrophobicContact CB-CB 4.31Å | ||
| 251 | T | 45.3 | Very low | 66.2 | Low | 78 Ų | 78 | 54 Ų | 54 | 48% | 0.479 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -73.9 | -14.2 | 173 | 52.1 | 0 | 0 | 0 | 0 | 112.7 | L78 H249 | L78-T251 WeakPolarHBondContact CD1-OG1 3.16Å; H249-T251 PolarHBondContact O-N 2.92Å |
| 252 | C | 38.9 | Very low | 66.3 | Low | 66 Ų | 66 | 50.5 Ų | 50.5 | 45% | 0.446 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -96.1 | -22.6 | -179.1 | -64.6 | 0 | 0 | 0 | 0 | 113.2 | D250 S254 | D250-C252 VanDerWaalsContact OD1-CB 3.24Å; D250-C252 WeakPolarHBondContact OD1-CB 2.9Å; D250-C252 PolarHBondContact OD1-N 2.86Å; C252-S254 PolarHBondContact O-N 3.24Å; C252-S254 VanDerWaalsContact O-N 3.13Å |
| 253 | E | 48.2 | Very low | 66.1 | Low | 86 Ų | 86 | 50.5 Ų | 50.5 | 40% | 0.402 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -71.2 | 103.8 | 157.1 | -113.4 | -177.7 | 163.8 | 0 | 0 | 105.4 | D250 S255 | D250-E253 HydrophobicContact CB-CB 4.31Å; E253-S255 PolarHBondContact O-N 2.89Å |
| 254 | S | 41.9 | Very low | 66.1 | Low | 90 Ų | 90 | 53.5 Ų | 53.5 | 63% | 0.629 | 29% | 0.285 | S | S | * | . | trans | -39.4 | 130.9 | 176.8 | 58.5 | 0 | 0 | 0 | 0 | 109.5 | C252 S256 | C252-S254 PolarHBondContact O-N 3.24Å; C252-S254 VanDerWaalsContact O-N 3.13Å; S254-S256 WeakPolarHBondContact O-CA 3.32Å; S254-S256 PolarHBondContact O-N 2.87Å | ||
| 255 | S | 53.3 | Low | 66.4 | Low | 56 Ų | 56 | 55.5 Ų | 55.5 | 39% | 0.392 | 30% | 0.299 | S | S | . | . | trans | -53.2 | 79.4 | 164.2 | -77 | 0 | 0 | 0 | 0 | 108 | E253 | E253-S255 PolarHBondContact O-N 2.89Š| ||
| 256 | S | 61.8 | Low | 66.5 | Low | 38 Ų | 38 | 55.5 Ų | 55.5 | 27% | 0.266 | 30% | 0.299 | S | S | . | . | trans | -72.8 | 143.9 | -171.8 | 61 | 0 | 0 | 0 | 0 | 105.4 | S254 F258 Q259 | S254-S256 WeakPolarHBondContact O-CA 3.32Å; S254-S256 PolarHBondContact O-N 2.87Å; S256-F258 PolarHBondContact O-N 3Å; S256-F258 WeakPolarHBondContact OG-CB 3.35Å; S256-Q259 PolarHBondContact O-N 2.72Å | ||
| 257 | P | 69.3 | Low | 66.7 | Low | 73 Ų | 73 | 54.1 Ų | 54.1 | 47% | 0.474 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -48.6 | -30.5 | 172.1 | -26.7 | 33.5 | 0 | 0 | 0 | 111.6 | Q259 L260 Y261 | P257-Q259 PolarHBondContact O-N 2.8Å; P257-L260 PolarHBondContact O-N 3.31Å; P257-Y261 VanDerWaalsContact C-CD2 3.42Å; P257-Y261 HydrophobicContact CB-CD2 3.98Å; P257-Y261 HydrophobicContact CB-CE2 3.55Å; P257-Y261 WeakPolarHBondContact O-CD2 3.49Å; P257-Y261 PolarHBondContact O-N 3.14Å |
| 258 | F | 76.8 | Confident | 67.7 | Low | 121 Ų | 121 | 58 Ų | 58 | 53% | 0.531 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -53.7 | -47.2 | 174 | 177.3 | -98.5 | 0 | 0 | 0 | 114 | P227 S256 L260 Y261 Y262 | P227-F258 HydrophobicContact CG-CZ 4.46Å; S256-F258 PolarHBondContact O-N 3Å; S256-F258 WeakPolarHBondContact OG-CB 3.35Å; F258-L260 PolarHBondContact O-N 3.11Å; F258-Y261 PolarHBondContact O-N 2.92Å; F258-Y262 WeakPolarHBondContact O-CB 3.4Å; F258-Y262 PolarHBondContact O-N 3.34Å |
| 259 | Q | 73.3 | Confident | 69 | Low | 25 Ų | 25 | 62.3 Ų | 62.3 | 12% | 0.117 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.3 | -43 | -179 | -173.1 | -179.8 | 14.7 | 0 | 0 | 111.5 | H249 S256 P257 Y262 F263 | H249-Q259 PolarHBondContact CD2-NE2 2.85Å; H249-Q259 VanDerWaalsContact CD2-NE2 3.26Å; H249-Q259 PolarHBondContact CE1-NE2 3.4Å; H249-Q259 VanDerWaalsContact CE1-NE2 3.32Å; H249-Q259 PolarHBondContact NE2-NE2 3.03Å; H249-Q259 PolarHBondContact NE2-OE1 3.2Å; S256-Q259 PolarHBondContact O-N 2.72Å; P257-Q259 PolarHBondContact O-N 2.8Å; Q259-Y262 PolarHBondContact O-N 3.47Å; Q259-F263 HydrophobicContact CG-CD2 3.85Å; Q259-F263 HydrophobicContact CG-CE2 3.64Å; Q259-F263 WeakPolarHBondContact O-CD2 2.99Å; Q259-F263 PolarHBondContact O-N 3.31Å; Q259-F263 VanDerWaalsContact O-N 3.07Å |
| 260 | L | 74.4 | Confident | 70.5 | Confident | 36 Ų | 36 | 59 Ų | 59 | 19% | 0.188 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.3 | -47.3 | 176.2 | 179.7 | 139.3 | 0 | 0 | 0 | 111.4 | P257 F258 Y262 F263 I264 Y329 | P257-L260 PolarHBondContact O-N 3.31Å; F258-L260 PolarHBondContact O-N 3.11Å; L260-Y262 VanDerWaalsContact C-N 3.3Å; L260-Y262 PolarHBondContact O-N 3.4Å; L260-F263 PolarHBondContact O-N 3.45Å; L260-I264 HydrophobicContact CD2-CD1 3.47Å; L260-I264 VanDerWaalsContact CD2-CD1 3.47Å; L260-I264 HydrophobicContact CG-CD1 3.88Å; L260-I264 WeakPolarHBondContact O-CB 3.45Å; L260-I264 VanDerWaalsContact O-CG1 3.25Å; L260-I264 WeakPolarHBondContact O-CG1 3.22Å; L260-I264 PolarHBondContact O-N 2.96Å; L260-Y329 HydrophobicContact CD1-CD1 3.63Å; L260-Y329 HydrophobicContact CD1-CD2 3.8Å; L260-Y329 HydrophobicContact CD1-CE1 4.03Å; L260-Y329 HydrophobicContact CD1-CE2 4.19Å; L260-Y329 HydrophobicContact CD1-CG 3.5Å; L260-Y329 VanDerWaalsContact CD1-CG 3.5Å |
| 261 | Y | 82.1 | Confident | 72.4 | Confident | 157 Ų | 157 | 58.1 Ų | 58.1 | 62% | 0.616 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.7 | -37.1 | 176.8 | -68.8 | -51.7 | 0 | 0 | 0 | 112.5 | P257 F258 S265 | P257-Y261 VanDerWaalsContact C-CD2 3.42Å; P257-Y261 HydrophobicContact CB-CD2 3.98Å; P257-Y261 HydrophobicContact CB-CE2 3.55Å; P257-Y261 WeakPolarHBondContact O-CD2 3.49Å; P257-Y261 PolarHBondContact O-N 3.14Å; F258-Y261 PolarHBondContact O-N 2.92Å; Y261-S265 WeakPolarHBondContact O-CB 3.37Å; Y261-S265 PolarHBondContact O-N 3.34Å |
| 262 | Y | 84 | Confident | 74.5 | Confident | 29 Ų | 29 | 57.9 Ų | 57.9 | 11% | 0.114 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.7 | -52.5 | 177.3 | 170.2 | -109.3 | 0 | 0 | 0 | 111.8 | Y224 P227 F228 F258 Q259 L260 I264 S265 L266 | Y224-Y262 WeakPolarHBondContact O-CE2 3.43Å; Y224-Y262 PolarHBondContact O-OH 2.86Å; P227-Y262 HydrophobicContact CB-CE2 4.32Å; P227-Y262 HydrophobicContact CG-CD2 4.04Å; P227-Y262 HydrophobicContact CG-CE2 3.6Å; F228-Y262 WeakPolarHBondContact CD2-OH 3.47Å; F228-Y262 HydrophobicContact CE1-CE1 4.26Å; F228-Y262 HydrophobicContact CE2-CE1 4.22Å; F228-Y262 WeakPolarHBondContact CE2-OH 3.19Å; F228-Y262 AromaticContact CZ-CE1 3.81Å; F228-Y262 HydrophobicContact CZ-CE1 3.81Å; F228-Y262 WeakPolarHBondContact CZ-OH 3.27Å; F258-Y262 WeakPolarHBondContact O-CB 3.4Å; F258-Y262 PolarHBondContact O-N 3.34Å; Q259-Y262 PolarHBondContact O-N 3.47Å; L260-Y262 VanDerWaalsContact C-N 3.3Å; L260-Y262 PolarHBondContact O-N 3.4Å; Y262-I264 PolarHBondContact O-N 2.84Å; Y262-S265 WeakPolarHBondContact O-CB 3.25Å; Y262-S265 PolarHBondContact O-N 3.33Å; Y262-L266 HydrophobicContact CD1-CD1 4.12Å; Y262-L266 HydrophobicContact CD2-CD1 4.49Å; Y262-L266 HydrophobicContact CD2-CG 4.45Å; Y262-L266 HydrophobicContact CE1-CD1 3.48Å; Y262-L266 VanDerWaalsContact CE1-CD1 3.48Å; Y262-L266 HydrophobicContact CE1-CG 4.4Å; Y262-L266 HydrophobicContact CE2-CD1 3.9Å; Y262-L266 HydrophobicContact CE2-CD2 4.46Å; Y262-L266 HydrophobicContact CE2-CG 4Å; Y262-L266 PolarHBondContact O-N 2.86Å |
| 263 | F | 79.1 | Confident | 77 | Confident | 18 Ų | 18 | 58.5 Ų | 58.5 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.8 | -35.8 | 179.2 | -76.3 | -65.6 | 0 | 0 | 0 | 112.7 | F228 Q259 L260 L266 A267 L321 H325 | F228-F263 HydrophobicContact CE1-CZ 4.47Å; F228-F263 HydrophobicContact CZ-CE1 4.17Å; F228-F263 HydrophobicContact CZ-CZ 4.44Å; Q259-F263 HydrophobicContact CG-CD2 3.85Å; Q259-F263 HydrophobicContact CG-CE2 3.64Å; Q259-F263 WeakPolarHBondContact O-CD2 2.99Å; Q259-F263 PolarHBondContact O-N 3.31Å; Q259-F263 VanDerWaalsContact O-N 3.07Å; L260-F263 PolarHBondContact O-N 3.45Å; F263-L266 HydrophobicContact CD1-CD1 4.14Å; F263-L266 HydrophobicContact CE1-CD1 4.48Å; F263-L266 PolarHBondContact O-N 3.41Å; F263-A267 VanDerWaalsContact O-CB 3.3Å; F263-A267 WeakPolarHBondContact O-CB 3.45Å; F263-A267 PolarHBondContact O-N 3.39Å; F263-L321 HydrophobicContact CD1-CD1 4.44Å; F263-L321 HydrophobicContact CD1-CD2 4.28Å; F263-L321 HydrophobicContact CD1-CG 4.48Å; F263-L321 HydrophobicContact CE1-CD1 4.41Å; F263-H325 AromaticContact CD1-CD2 3.97Å; F263-H325 AromaticContact CD1-NE2 3.91Å; F263-H325 AromaticContact CD2-CD2 3.99Å; F263-H325 AromaticContact CD2-CE1 3.88Å; F263-H325 AromaticContact CD2-CG 3.93Å; F263-H325 AromaticContact CD2-ND1 3.86Å; F263-H325 AromaticContact CD2-NE2 3.98Å; F263-H325 AromaticContact CE1-NE2 3.7Å; F263-H325 AromaticContact CE2-CE1 3.51Å; F263-H325 AromaticContact CE2-ND1 3.87Å; F263-H325 AromaticContact CE2-NE2 3.79Å; F263-H325 AromaticContact CG-CD2 3.84Å; F263-H325 AromaticContact CZ-CE1 3.7Å; F263-H325 AromaticContact CZ-NE2 3.65Å |
| 264 | I | 82.4 | Confident | 79.1 | Confident | 87 Ų | 87 | 54.7 Ų | 54.7 | 45% | 0.446 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 172.6 | -70.7 | 172.9 | 0 | 0 | 0 | 110.7 | L260 Y262 A267 F268 | L260-I264 HydrophobicContact CD2-CD1 3.47Å; L260-I264 VanDerWaalsContact CD2-CD1 3.47Å; L260-I264 HydrophobicContact CG-CD1 3.88Å; L260-I264 WeakPolarHBondContact O-CB 3.45Å; L260-I264 VanDerWaalsContact O-CG1 3.25Å; L260-I264 WeakPolarHBondContact O-CG1 3.22Å; L260-I264 PolarHBondContact O-N 2.96Å; Y262-I264 PolarHBondContact O-N 2.84Å; I264-A267 PolarHBondContact O-N 2.88Å; I264-F268 WeakPolarHBondContact O-CB 3.33Å; I264-F268 PolarHBondContact O-N 3.49Å |
| 265 | S | 87.3 | Confident | 81.4 | Confident | 42 Ų | 42 | 52 Ų | 52 | 29% | 0.294 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.7 | -48.2 | 177 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | Y261 Y262 A267 F268 F269 | Y261-S265 WeakPolarHBondContact O-CB 3.37Å; Y261-S265 PolarHBondContact O-N 3.34Å; Y262-S265 WeakPolarHBondContact O-CB 3.25Å; Y262-S265 PolarHBondContact O-N 3.33Å; S265-A267 VanDerWaalsContact C-N 3.33Å; S265-A267 PolarHBondContact O-N 3.38Å; S265-F268 PolarHBondContact O-N 2.93Å; S265-F269 WeakPolarHBondContact O-CB 3.37Å; S265-F269 WeakPolarHBondContact O-CD2 3.28Å; S265-F269 PolarHBondContact O-N 2.72Å; S265-F269 WeakPolarHBondContact OG-CD2 3.18Å |
| 266 | L | 86.1 | Confident | 83.3 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.1 | -46.1 | 174.2 | -83.3 | 179.1 | 0 | 0 | 0 | 112.5 | Y178 Y224 M225 Y262 F263 G270 F271 | Y178-L266 HydrophobicContact CD2-CD2 4.28Å; Y178-L266 HydrophobicContact CE1-CB 4.47Å; Y178-L266 HydrophobicContact CE1-CD2 4.31Å; Y178-L266 HydrophobicContact CE2-CD1 4.28Å; Y178-L266 HydrophobicContact CE2-CD2 3.79Å; Y178-L266 HydrophobicContact CE2-CG 4.5Å; Y224-L266 HydrophobicContact CD1-CD2 4.19Å; Y224-L266 HydrophobicContact CD2-CD2 3.92Å; Y224-L266 HydrophobicContact CG-CD2 3.69Å; M225-L266 HydrophobicContact CE-CD2 4.4Å; Y262-L266 HydrophobicContact CD1-CD1 4.12Å; Y262-L266 HydrophobicContact CD2-CD1 4.49Å; Y262-L266 HydrophobicContact CD2-CG 4.45Å; Y262-L266 HydrophobicContact CE1-CD1 3.48Å; Y262-L266 VanDerWaalsContact CE1-CD1 3.48Å; Y262-L266 HydrophobicContact CE1-CG 4.4Å; Y262-L266 HydrophobicContact CE2-CD1 3.9Å; Y262-L266 HydrophobicContact CE2-CD2 4.46Å; Y262-L266 HydrophobicContact CE2-CG 4Å; Y262-L266 PolarHBondContact O-N 2.86Å; F263-L266 HydrophobicContact CD1-CD1 4.14Å; F263-L266 HydrophobicContact CE1-CD1 4.48Å; F263-L266 PolarHBondContact O-N 3.41Å; L266-G270 CarbonylContact O-C 3.52Å; L266-G270 WeakPolarHBondContact O-CA 3.41Å; L266-G270 PolarHBondContact O-N 2.84Å; L266-F271 PolarHBondContact O-N 3.46Å |
| 267 | A | 84 | Confident | 84.8 | Confident | 5 Ų | 5 | 54.4 Ų | 54.4 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F263 I264 S265 F271 L272 I322 | F263-A267 VanDerWaalsContact O-CB 3.3Å; F263-A267 WeakPolarHBondContact O-CB 3.45Å; F263-A267 PolarHBondContact O-N 3.39Å; I264-A267 PolarHBondContact O-N 2.88Å; S265-A267 VanDerWaalsContact C-N 3.33Å; S265-A267 PolarHBondContact O-N 3.38Å; A267-F271 WeakPolarHBondContact O-CB 3.49Å; A267-F271 PolarHBondContact O-N 3.22Å; A267-L272 PolarHBondContact O-N 2.97Å; A267-I322 HydrophobicContact CB-CD1 3.4Å; A267-I322 VanDerWaalsContact CB-CD1 3.4Å; A267-I322 HydrophobicContact CB-CG1 3.29Å |
| 268 | F | 86.6 | Confident | 85.9 | Confident | 101 Ų | 101 | 51.1 Ų | 51.1 | 44% | 0.443 | 25% | 0.247 | S | C | . | . | I | π-helix | trans | -74.8 | -55.9 | -176.9 | -169.7 | -99.6 | 0 | 0 | 0 | 111.6 | I264 S265 L272 I273 | I264-F268 WeakPolarHBondContact O-CB 3.33Å; I264-F268 PolarHBondContact O-N 3.49Å; S265-F268 PolarHBondContact O-N 2.93Å; F268-L272 HydrophobicContact CD2-CD2 3.7Å; F268-L272 HydrophobicContact CE2-CD2 3.78Å; F268-L272 PolarHBondContact O-N 3.27Å; F268-I273 HydrophobicContact CD1-CD1 3.93Å; F268-I273 HydrophobicContact CD1-CG1 4.3Å; F268-I273 HydrophobicContact CE1-CD1 3.68Å; F268-I273 HydrophobicContact CE1-CG1 4.04Å; F268-I273 HydrophobicContact CZ-CD1 4.49Å; F268-I273 HydrophobicContact CZ-CG1 4.45Å; F268-I273 PolarHBondContact O-N 3.4Å |
| 269 | F | 89.6 | Confident | 86.6 | Confident | 104 Ų | 104 | 48.2 Ų | 48.2 | 46% | 0.456 | 24% | 0.236 | S | C | . | . | I | π-helix | trans | -83 | -35.6 | -175.4 | -63.3 | -76.6 | 0 | 0 | 0 | 113 | Y224 S265 I273 P274 | Y224-F269 WeakPolarHBondContact OH-CB 3.47Å; S265-F269 WeakPolarHBondContact O-CB 3.37Å; S265-F269 WeakPolarHBondContact O-CD2 3.28Å; S265-F269 PolarHBondContact O-N 2.72Å; S265-F269 WeakPolarHBondContact OG-CD2 3.18Å; F269-I273 HydrophobicContact CD1-CD1 3.64Å; F269-I273 HydrophobicContact CE1-CD1 4.09Å; F269-I273 HydrophobicContact CG-CD1 4.5Å; F269-P274 VanDerWaalsContact O-CD 3.31Å; F269-P274 WeakPolarHBondContact O-CD 3.5Å |
| 270 | G | 87.4 | Confident | 87.6 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -82.3 | -21.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I181 L266 | I181-G270 VanDerWaalsContact CG2-O 3.28Å; I181-G270 WeakPolarHBondContact CG2-O 3.41Å; L266-G270 CarbonylContact O-C 3.52Å; L266-G270 WeakPolarHBondContact O-CA 3.41Å; L266-G270 PolarHBondContact O-N 2.84Å |
| 271 | F | 87.9 | Confident | 88.5 | Confident | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -128.9 | -58.7 | -178.3 | 170.3 | -103 | 0 | 0 | 0 | 114.3 | I181 L266 A267 I273 P274 F275 F310 F314 A315 N318 I319 | I181-F271 HydrophobicContact CD1-CD2 4.16Å; L266-F271 PolarHBondContact O-N 3.46Å; A267-F271 WeakPolarHBondContact O-CB 3.49Å; A267-F271 PolarHBondContact O-N 3.22Å; F271-I273 PolarHBondContact O-N 2.84Å; F271-P274 WeakPolarHBondContact O-CD 3.24Å; F271-F275 HydrophobicContact CE2-CB 4.12Å; F271-F275 HydrophobicContact CE2-CD2 4.49Å; F271-F275 HydrophobicContact CE2-CG 4.25Å; F271-F275 HydrophobicContact CZ-CB 4.14Å; F271-F275 HydrophobicContact CZ-CD1 4.1Å; F271-F275 HydrophobicContact CZ-CD2 4.46Å; F271-F275 AromaticContact CZ-CG 3.99Å; F271-F275 HydrophobicContact CZ-CG 3.99Å; F271-F275 WeakPolarHBondContact O-CB 3.35Å; F271-F275 PolarHBondContact O-N 2.87Å; F271-F310 HydrophobicContact CE2-CE1 4.44Å; F271-F314 HydrophobicContact CD2-CB 4.35Å; F271-F314 HydrophobicContact CE2-CB 4.02Å; F271-A315 HydrophobicContact CE2-CB 4.29Å; F271-A315 VanDerWaalsContact CZ-CA 3.43Å; F271-A315 HydrophobicContact CZ-CB 3.69Å; F271-N318 HydrophobicContact CB-CB 3.88Å; F271-N318 HydrophobicContact CD1-CB 3.46Å; F271-N318 VanDerWaalsContact CD1-CB 3.46Å; F271-N318 HydrophobicContact CD2-CB 3.86Å; F271-N318 HydrophobicContact CE1-CB 3.97Å; F271-N318 HydrophobicContact CE2-CB 4.33Å; F271-N318 HydrophobicContact CG-CB 3.42Å; F271-N318 VanDerWaalsContact CG-CB 3.42Å; F271-N318 HydrophobicContact CZ-CB 4.4Å; F271-I319 HydrophobicContact CE1-CG1 4.5Å |
| 272 | L | 89.4 | Confident | 88.9 | Confident | 73 Ų | 73 | 44.8 Ų | 44.8 | 38% | 0.382 | 22% | 0.22 | S | C | . | . | I | π-helix | trans | -63.3 | -47.4 | -169.3 | -175.4 | 63.9 | 0 | 0 | 0 | 112.8 | A267 F268 F275 V276 | A267-L272 PolarHBondContact O-N 2.97Å; F268-L272 HydrophobicContact CD2-CD2 3.7Å; F268-L272 HydrophobicContact CE2-CD2 3.78Å; F268-L272 PolarHBondContact O-N 3.27Å; L272-F275 PolarHBondContact O-N 3.01Å; L272-V276 HydrophobicContact CD1-CG2 4.26Å; L272-V276 WeakPolarHBondContact O-CG2 3.31Å; L272-V276 PolarHBondContact O-N 3.24Å |
| 273 | I | 91.9 | Very high | 89.2 | Confident | 80 Ų | 80 | 45.7 Ų | 45.7 | 41% | 0.41 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.5 | -54.2 | 177.2 | -68.3 | 174.8 | 0 | 0 | 0 | 110.9 | F268 F269 F271 F275 V276 L277 | F268-I273 HydrophobicContact CD1-CD1 3.93Å; F268-I273 HydrophobicContact CD1-CG1 4.3Å; F268-I273 HydrophobicContact CE1-CD1 3.68Å; F268-I273 HydrophobicContact CE1-CG1 4.04Å; F268-I273 HydrophobicContact CZ-CD1 4.49Å; F268-I273 HydrophobicContact CZ-CG1 4.45Å; F268-I273 PolarHBondContact O-N 3.4Å; F269-I273 HydrophobicContact CD1-CD1 3.64Å; F269-I273 HydrophobicContact CE1-CD1 4.09Å; F269-I273 HydrophobicContact CG-CD1 4.5Å; F271-I273 PolarHBondContact O-N 2.84Å; I273-F275 VanDerWaalsContact C-N 3.27Å; I273-F275 PolarHBondContact O-N 3.41Å; I273-V276 PolarHBondContact O-N 3.29Å; I273-L277 WeakPolarHBondContact O-CB 3.43Å; I273-L277 PolarHBondContact O-N 3.37Å |
| 274 | P | 92.7 | Very high | 89.8 | Confident | 6 Ų | 6 | 45.7 Ų | 45.7 | 4% | 0.039 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -54 | -41.9 | 174.3 | -29.4 | 35.2 | 0 | 0 | 0 | 113.5 | I181 L182 A185 F269 F271 L277 I278 | I181-P274 HydrophobicContact CG2-CB 3.45Å; I181-P274 VanDerWaalsContact CG2-CB 3.45Å; I181-P274 HydrophobicContact CG2-CG 3.92Å; L182-P274 HydrophobicContact CD2-CG 3.72Å; A185-P274 HydrophobicContact CB-CB 4.14Å; F269-P274 VanDerWaalsContact O-CD 3.31Å; F269-P274 WeakPolarHBondContact O-CD 3.5Å; F271-P274 WeakPolarHBondContact O-CD 3.24Å; P274-L277 WeakPolarHBondContact O-CB 3.19Å; P274-L277 PolarHBondContact O-N 2.96Å; P274-I278 WeakPolarHBondContact O-CB 3.05Å; P274-I278 WeakPolarHBondContact O-CD1 3.42Å; P274-I278 WeakPolarHBondContact O-CG1 3.36Å; P274-I278 PolarHBondContact O-N 3.02Å |
| 275 | F | 90.2 | Very high | 90.1 | Very high | 34 Ų | 34 | 41.5 Ų | 41.5 | 15% | 0.149 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.6 | -49 | -178.4 | 179.6 | -124.1 | 0 | 0 | 0 | 112.6 | F271 L272 I273 L277 I278 I279 F310 T311 | F271-F275 HydrophobicContact CE2-CB 4.12Å; F271-F275 HydrophobicContact CE2-CD2 4.49Å; F271-F275 HydrophobicContact CE2-CG 4.25Å; F271-F275 HydrophobicContact CZ-CB 4.14Å; F271-F275 HydrophobicContact CZ-CD1 4.1Å; F271-F275 HydrophobicContact CZ-CD2 4.46Å; F271-F275 AromaticContact CZ-CG 3.99Å; F271-F275 HydrophobicContact CZ-CG 3.99Å; F271-F275 WeakPolarHBondContact O-CB 3.35Å; F271-F275 PolarHBondContact O-N 2.87Å; L272-F275 PolarHBondContact O-N 3.01Å; I273-F275 VanDerWaalsContact C-N 3.27Å; I273-F275 PolarHBondContact O-N 3.41Å; F275-L277 VanDerWaalsContact C-N 3.27Å; F275-L277 PolarHBondContact O-N 3.39Å; F275-I278 PolarHBondContact O-N 2.91Å; F275-I279 HydrophobicContact CD1-CD1 3.95Å; F275-I279 HydrophobicContact CD2-CD1 4.13Å; F275-I279 HydrophobicContact CD2-CG1 4.44Å; F275-I279 HydrophobicContact CE1-CD1 3.58Å; F275-I279 HydrophobicContact CE2-CD1 3.84Å; F275-I279 HydrophobicContact CE2-CG1 4.28Å; F275-I279 HydrophobicContact CG-CD1 4.25Å; F275-I279 HydrophobicContact CZ-CD1 3.56Å; F275-I279 HydrophobicContact CZ-CG1 4.45Å; F275-I279 WeakPolarHBondContact O-CG1 3.44Å; F275-I279 PolarHBondContact O-N 3.49Å; F275-F310 HydrophobicContact CB-CE1 4.33Å; F275-F310 AromaticContact CD2-CD1 3.79Å; F275-F310 HydrophobicContact CD2-CD1 3.79Å; F275-F310 AromaticContact CD2-CE1 3.48Å; F275-F310 HydrophobicContact CD2-CE1 3.48Å; F275-F310 VanDerWaalsContact CD2-CE1 3.48Å; F275-F310 HydrophobicContact CE2-CD1 4.11Å; F275-F310 HydrophobicContact CE2-CE1 4.2Å; F275-F310 HydrophobicContact CG-CE1 4.34Å; F275-T311 HydrophobicContact CE2-CG2 4.08Å; F275-T311 HydrophobicContact CZ-CG2 3.9Å |
| 276 | V | 92.2 | Very high | 90.1 | Very high | 85 Ų | 85 | 41.3 Ų | 41.3 | 52% | 0.515 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.5 | -41 | 176 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | L272 I273 I279 Y280 | L272-V276 HydrophobicContact CD1-CG2 4.26Å; L272-V276 WeakPolarHBondContact O-CG2 3.31Å; L272-V276 PolarHBondContact O-N 3.24Å; I273-V276 PolarHBondContact O-N 3.29Å; V276-I279 PolarHBondContact O-N 3.46Å; V276-Y280 WeakPolarHBondContact O-CB 3.35Å; V276-Y280 PolarHBondContact O-N 3.01Å |
| 277 | L | 94.8 | Very high | 90.3 | Very high | 59 Ų | 59 | 50 Ų | 50 | 31% | 0.309 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.7 | -46.6 | 176.7 | -173.8 | 151.3 | 0 | 0 | 0 | 111.7 | A185 I189 I273 P274 F275 Y280 C281 | A185-L277 HydrophobicContact CB-CD2 4.32Å; I189-L277 HydrophobicContact CD1-CD1 3.88Å; I189-L277 HydrophobicContact CD1-CD2 3.78Å; I189-L277 HydrophobicContact CD1-CG 4.47Å; I189-L277 HydrophobicContact CG1-CD1 4.3Å; I189-L277 HydrophobicContact CG1-CD2 3.45Å; I189-L277 VanDerWaalsContact CG1-CD2 3.45Å; I189-L277 HydrophobicContact CG1-CG 4.4Å; I273-L277 WeakPolarHBondContact O-CB 3.43Å; I273-L277 PolarHBondContact O-N 3.37Å; P274-L277 WeakPolarHBondContact O-CB 3.19Å; P274-L277 PolarHBondContact O-N 2.96Å; F275-L277 VanDerWaalsContact C-N 3.27Å; F275-L277 PolarHBondContact O-N 3.39Å; L277-Y280 PolarHBondContact O-N 3.43Å; L277-C281 WeakPolarHBondContact O-CB 3.3Å; L277-C281 PolarHBondContact O-N 3.16Å; L277-C281 PolarHBondContact O-SG 3.39Å; L277-C281 VanDerWaalsContact O-SG 3.41Å |
| 278 | I | 92 | Very high | 90.4 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.015 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.5 | -49.1 | 178.2 | -73.7 | 166.8 | 0 | 0 | 0 | 109.6 | L184 A185 P274 F275 Y280 C281 Y282 L307 F310 | L184-I278 HydrophobicContact CB-CD1 4.46Å; A185-I278 HydrophobicContact CB-CD1 4.08Å; A185-I278 HydrophobicContact CB-CG1 4Å; P274-I278 WeakPolarHBondContact O-CB 3.05Å; P274-I278 WeakPolarHBondContact O-CD1 3.42Å; P274-I278 WeakPolarHBondContact O-CG1 3.36Å; P274-I278 PolarHBondContact O-N 3.02Å; F275-I278 PolarHBondContact O-N 2.91Å; I278-Y280 VanDerWaalsContact C-N 3.31Å; I278-Y280 PolarHBondContact O-N 3.29Å; I278-C281 PolarHBondContact O-N 3.04Å; I278-Y282 HydrophobicContact CG2-CD2 3.61Å; I278-Y282 HydrophobicContact CG2-CE2 3.84Å; I278-Y282 WeakPolarHBondContact O-CB 3.21Å; I278-Y282 VanDerWaalsContact O-CD2 3.29Å; I278-Y282 WeakPolarHBondContact O-CD2 3.4Å; I278-Y282 PolarHBondContact O-N 3.46Å; I278-L307 HydrophobicContact CG2-CD1 3.81Å; I278-F310 HydrophobicContact CD1-CD1 4.34Å; I278-F310 HydrophobicContact CD1-CD2 4.19Å; I278-F310 HydrophobicContact CD1-CE1 3.93Å; I278-F310 HydrophobicContact CD1-CE2 3.73Å; I278-F310 HydrophobicContact CD1-CG 4.47Å; I278-F310 HydrophobicContact CD1-CZ 3.59Å |
| 279 | I | 91.3 | Very high | 90.3 | Very high | 60 Ų | 60 | 48 Ų | 48 | 31% | 0.308 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -56.4 | -47.1 | 176.8 | -70.2 | 166.8 | 0 | 0 | 0 | 110.8 | F275 V276 Y282 T283 L307 | F275-I279 HydrophobicContact CD1-CD1 3.95Å; F275-I279 HydrophobicContact CD2-CD1 4.13Å; F275-I279 HydrophobicContact CD2-CG1 4.44Å; F275-I279 HydrophobicContact CE1-CD1 3.58Å; F275-I279 HydrophobicContact CE2-CD1 3.84Å; F275-I279 HydrophobicContact CE2-CG1 4.28Å; F275-I279 HydrophobicContact CG-CD1 4.25Å; F275-I279 HydrophobicContact CZ-CD1 3.56Å; F275-I279 HydrophobicContact CZ-CG1 4.45Å; F275-I279 WeakPolarHBondContact O-CG1 3.44Å; F275-I279 PolarHBondContact O-N 3.49Å; V276-I279 PolarHBondContact O-N 3.46Å; I279-Y282 PolarHBondContact O-N 2.84Å; I279-T283 VanDerWaalsContact O-CB 3.24Å; I279-T283 WeakPolarHBondContact O-CB 3.15Å; I279-T283 PolarHBondContact O-N 3.4Å; I279-T283 PolarHBondContact O-OG1 2.88Å; I279-L307 HydrophobicContact CG1-CD1 3.96Å |
| 280 | Y | 94.4 | Very high | 90 | Very high | 139 Ų | 139 | 46.7 Ų | 46.7 | 55% | 0.545 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.7 | -50.9 | 178.6 | 173.1 | -94.9 | 0 | 0 | 0 | 111.7 | Y192 V276 L277 I278 Y282 T283 A284 | Y192-Y280 HydrophobicContact CE2-CE1 4.24Å; V276-Y280 WeakPolarHBondContact O-CB 3.35Å; V276-Y280 PolarHBondContact O-N 3.01Å; L277-Y280 PolarHBondContact O-N 3.43Å; I278-Y280 VanDerWaalsContact C-N 3.31Å; I278-Y280 PolarHBondContact O-N 3.29Å; Y280-Y282 PolarHBondContact O-N 2.96Å; Y280-T283 PolarHBondContact O-N 2.9Å; Y280-A284 WeakPolarHBondContact O-CB 3.46Å; Y280-A284 PolarHBondContact O-N 3.1Å |
| 281 | C | 93.6 | Very high | 89.8 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 3% | 0.027 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.3 | -48.3 | 179.4 | -75.3 | 0 | 0 | 0 | 0 | 111.6 | L277 I278 A284 I285 | L277-C281 WeakPolarHBondContact O-CB 3.3Å; L277-C281 PolarHBondContact O-N 3.16Å; L277-C281 PolarHBondContact O-SG 3.39Å; L277-C281 VanDerWaalsContact O-SG 3.41Å; I278-C281 PolarHBondContact O-N 3.04Å; C281-A284 PolarHBondContact O-N 2.62Å; C281-I285 WeakPolarHBondContact O-CB 3.43Å; C281-I285 WeakPolarHBondContact O-CD1 3.43Å; C281-I285 WeakPolarHBondContact O-CG1 3.38Å; C281-I285 PolarHBondContact O-N 3.37Å |
| 282 | Y | 90.3 | Very high | 89.2 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.6 | -38.9 | -179.9 | -85 | -72.6 | 0 | 0 | 0 | 112.6 | S188 R191 I278 I279 Y280 A284 I285 I286 I306 L307 | S188-Y282 WeakPolarHBondContact OG-CE2 3.18Å; R191-Y282 PolarHBondContact NH1-OH 2.93Å; I278-Y282 HydrophobicContact CG2-CD2 3.61Å; I278-Y282 HydrophobicContact CG2-CE2 3.84Å; I278-Y282 WeakPolarHBondContact O-CB 3.21Å; I278-Y282 VanDerWaalsContact O-CD2 3.29Å; I278-Y282 WeakPolarHBondContact O-CD2 3.4Å; I278-Y282 PolarHBondContact O-N 3.46Å; I279-Y282 PolarHBondContact O-N 2.84Å; Y280-Y282 PolarHBondContact O-N 2.96Å; Y282-A284 PolarHBondContact O-N 3.49Å; Y282-I285 PolarHBondContact O-N 3.06Å; Y282-I286 WeakPolarHBondContact O-CB 3.4Å; Y282-I286 WeakPolarHBondContact O-CD1 3.37Å; Y282-I286 WeakPolarHBondContact O-CG1 3.33Å; Y282-I286 PolarHBondContact O-N 3.45Å; Y282-I306 HydrophobicContact CE1-CB 4.5Å; Y282-I306 HydrophobicContact CE2-CG2 4.28Å; Y282-I306 WeakPolarHBondContact OH-CG2 3.3Å; Y282-L307 HydrophobicContact CD2-CD1 4.29Å |
| 283 | T | 90.2 | Very high | 88.4 | Confident | 48 Ų | 48 | 58.4 Ų | 58.4 | 29% | 0.294 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 175 | -59.7 | 0 | 0 | 0 | 0 | 110.9 | I279 Y280 I286 R287 | I279-T283 VanDerWaalsContact O-CB 3.24Å; I279-T283 WeakPolarHBondContact O-CB 3.15Å; I279-T283 PolarHBondContact O-N 3.4Å; I279-T283 PolarHBondContact O-OG1 2.88Å; Y280-T283 PolarHBondContact O-N 2.9Å; T283-I286 PolarHBondContact O-N 3.18Å; T283-R287 WeakPolarHBondContact O-CB 3.43Å; T283-R287 VanDerWaalsContact O-CG 3.31Å; T283-R287 WeakPolarHBondContact O-CG 3.35Å; T283-R287 PolarHBondContact O-N 2.97Å |
| 284 | A | 91.8 | Very high | 87.3 | Confident | 17 Ų | 17 | 62.7 Ų | 62.7 | 14% | 0.14 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65 | -45.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y192 V196 Y280 C281 Y282 I286 R287 T288 | Y192-A284 HydrophobicContact CD2-CB 3.86Å; Y192-A284 HydrophobicContact CE2-CB 3.57Å; V196-A284 HydrophobicContact CG2-CB 4.44Å; Y280-A284 WeakPolarHBondContact O-CB 3.46Å; Y280-A284 PolarHBondContact O-N 3.1Å; C281-A284 PolarHBondContact O-N 2.62Å; Y282-A284 PolarHBondContact O-N 3.49Å; A284-I286 VanDerWaalsContact C-N 3.32Å; A284-I286 PolarHBondContact O-N 3.43Å; A284-R287 PolarHBondContact O-N 3.22Å; A284-T288 PolarHBondContact O-N 2.83Å; A284-T288 PolarHBondContact O-OG1 3.36Å; A284-T288 VanDerWaalsContact O-OG1 3.07Å |
| 285 | I | 88.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.3 | -47.5 | 175.2 | -72.6 | 162.1 | 0 | 0 | 0 | 110.7 | R191 I195 V196 C281 Y282 T288 L289 | R191-I285 HydrophobicContact CB-CD1 4.03Å; I195-I285 HydrophobicContact CD1-CG1 4.33Å; I195-I285 HydrophobicContact CD1-CG2 3.86Å; V196-I285 HydrophobicContact CG2-CG1 4.44Å; C281-I285 WeakPolarHBondContact O-CB 3.43Å; C281-I285 WeakPolarHBondContact O-CD1 3.43Å; C281-I285 WeakPolarHBondContact O-CG1 3.38Å; C281-I285 PolarHBondContact O-N 3.37Å; Y282-I285 PolarHBondContact O-N 3.06Å; I285-T288 PolarHBondContact O-N 3.23Å; I285-L289 HydrophobicContact CG2-CD1 3.51Å; I285-L289 HydrophobicContact CG2-CG 4.31Å; I285-L289 WeakPolarHBondContact O-CB 3.49Å; I285-L289 VanDerWaalsContact O-CG 3.26Å; I285-L289 WeakPolarHBondContact O-CG 3.16Å; I285-L289 PolarHBondContact O-N 3.49Å |
| 286 | I | 87.5 | Confident | 85.7 | Confident | 37 Ų | 37 | 72 Ų | 72 | 19% | 0.19 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.2 | -45.2 | -179.9 | -69.8 | 167 | 0 | 0 | 0 | 110.5 | Y282 T283 A284 T288 L289 S290 V300 | Y282-I286 WeakPolarHBondContact O-CB 3.4Å; Y282-I286 WeakPolarHBondContact O-CD1 3.37Å; Y282-I286 WeakPolarHBondContact O-CG1 3.33Å; Y282-I286 PolarHBondContact O-N 3.45Å; T283-I286 PolarHBondContact O-N 3.18Å; A284-I286 VanDerWaalsContact C-N 3.32Å; A284-I286 PolarHBondContact O-N 3.43Å; I286-T288 PolarHBondContact O-N 2.03Å; I286-L289 PolarHBondContact O-N 3.46Å; I286-S290 VanDerWaalsContact O-CB 3.25Å; I286-S290 WeakPolarHBondContact O-CB 3.02Å; I286-S290 PolarHBondContact O-N 2.85Å; I286-S290 PolarHBondContact O-OG 3.49Å; I286-V300 HydrophobicContact CG1-CG1 4.18Å; I286-V300 HydrophobicContact CG2-CG1 3.81Å |
| 287 | R | 89.1 | Confident | 85.1 | Confident | 185 Ų | 185 | 71.8 Ų | 71.8 | 70% | 0.698 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60.3 | -46.3 | 177.3 | -74.3 | 176.4 | -177.6 | 177.4 | 2.1 | 111.9 | T283 A284 A291 | T283-R287 WeakPolarHBondContact O-CB 3.43Å; T283-R287 VanDerWaalsContact O-CG 3.31Å; T283-R287 WeakPolarHBondContact O-CG 3.35Å; T283-R287 PolarHBondContact O-N 2.97Å; A284-R287 PolarHBondContact O-N 3.22Å; R287-A291 WeakPolarHBondContact O-CB 3.35Å; R287-A291 PolarHBondContact O-N 3.1Å; R287-A291 VanDerWaalsContact O-N 3.13Å |
| 288 | T | 86.9 | Confident | 84.4 | Confident | 54 Ų | 54 | 78.3 Ų | 78.3 | 33% | 0.331 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 179.1 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | I195 A284 I285 I286 A291 Y292 | I195-T288 HydrophobicContact CG2-CG2 4.26Å; A284-T288 PolarHBondContact O-N 2.83Å; A284-T288 PolarHBondContact O-OG1 3.36Å; A284-T288 VanDerWaalsContact O-OG1 3.07Å; I285-T288 PolarHBondContact O-N 3.23Å; I286-T288 PolarHBondContact O-N 2.03Å; T288-A291 PolarHBondContact O-N 3.44Å; T288-Y292 PolarHBondContact O-N 3.48Å |
| 289 | L | 84 | Confident | 83.8 | Confident | 10 Ų | 10 | 79.4 Ų | 79.4 | 5% | 0.052 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -69 | -41.2 | 179.9 | -72.3 | 168.3 | 0 | 0 | 0 | 112.4 | I195 I285 I286 A291 Y292 W296 V300 | I195-L289 HydrophobicContact CG2-CD2 4.25Å; I195-L289 HydrophobicContact CG2-CG 4.24Å; I285-L289 HydrophobicContact CG2-CD1 3.51Å; I285-L289 HydrophobicContact CG2-CG 4.31Å; I285-L289 WeakPolarHBondContact O-CB 3.49Å; I285-L289 VanDerWaalsContact O-CG 3.26Å; I285-L289 WeakPolarHBondContact O-CG 3.16Å; I285-L289 PolarHBondContact O-N 3.49Å; I286-L289 PolarHBondContact O-N 3.46Å; L289-A291 VanDerWaalsContact C-N 3.28Å; L289-A291 PolarHBondContact O-N 2.88Å; L289-Y292 PolarHBondContact O-N 3.28Å; L289-W296 HydrophobicContact CB-CB 4.13Å; L289-W296 HydrophobicContact CD2-CB 3.99Å; L289-W296 HydrophobicContact CD2-CD2 3.71Å; L289-W296 HydrophobicContact CD2-CE3 3.61Å; L289-W296 HydrophobicContact CD2-CG 3.87Å; L289-W296 HydrophobicContact CD2-CZ3 4.32Å; L289-V300 HydrophobicContact CB-CG2 3.75Å; L289-V300 HydrophobicContact CD1-CG2 4.21Å |
| 290 | S | 83.3 | Confident | 83.2 | Confident | 76 Ų | 76 | 77.4 Ų | 77.4 | 53% | 0.531 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.8 | -29.5 | 178.5 | -65.8 | 0 | 0 | 0 | 0 | 112.8 | I286 Y292 | I286-S290 VanDerWaalsContact O-CB 3.25Å; I286-S290 WeakPolarHBondContact O-CB 3.02Å; I286-S290 PolarHBondContact O-N 2.85Å; I286-S290 PolarHBondContact O-OG 3.49Å; S290-Y292 VanDerWaalsContact C-N 3.29Å |
| 291 | A | 82.6 | Confident | 82.7 | Confident | 87 Ų | 87 | 76.4 Ų | 76.4 | 72% | 0.719 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -75 | -17.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | R287 T288 L289 | R287-A291 WeakPolarHBondContact O-CB 3.35Å; R287-A291 PolarHBondContact O-N 3.1Å; R287-A291 VanDerWaalsContact O-N 3.13Å; T288-A291 PolarHBondContact O-N 3.44Å; L289-A291 VanDerWaalsContact C-N 3.28Å; L289-A291 PolarHBondContact O-N 2.88Å |
| 292 | Y | 76.8 | Confident | 82.2 | Confident | 188 Ų | 188 | 76.5 Ų | 76.5 | 74% | 0.737 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -88.5 | -58.5 | -174.5 | -148.9 | -96.7 | 0 | 0 | 0 | 112.3 | T288 L289 S290 W296 | T288-Y292 PolarHBondContact O-N 3.48Å; L289-Y292 PolarHBondContact O-N 3.28Å; S290-Y292 VanDerWaalsContact C-N 3.29Å; Y292-W296 AromaticContact CD1-NE1 3.88Å |
| 293 | D | 71.6 | Confident | 81.7 | Confident | 50 Ų | 50 | 76.3 Ų | 76.3 | 27% | 0.267 | 36% | 0.361 | S | S | . | . | trans | -166.7 | 147.3 | -177.5 | -159.3 | -42.1 | 0 | 0 | 0 | 112.4 | R295 W296 | D293-R295 HydrophobicContact CB-CB 4.37Å; D293-R295 PolarHBondContact O-N 3.27Å; D293-R295 VanDerWaalsContact O-N 3.11Å; D293-R295 PolarHBondContact OD1-N 2.92Å; D293-R295 IonicContact OD1-NE 3.75Å; D293-R295 IonicContact OD2-CZ 3.13Å; D293-R295 IonicContact OD2-NE 2.73Å; D293-R295 PolarHBondContact OD2-NE 2.86Å; D293-R295 IonicContact OD2-NH2 2.7Å; D293-R295 PolarHBondContact OD2-NH2 3.48Å; D293-W296 PolarHBondContact O-N 3.32Å; D293-W296 VanDerWaalsContact O-N 3.08Å | ||
| 294 | H | 70 | Confident | 81.3 | Confident | 171 Ų | 171 | 78.3 Ų | 78.3 | 79% | 0.792 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -55.8 | -23 | 169.4 | -69 | -58.7 | 0 | 0 | 0 | 113.5 | W296 L297 | H294-W296 PolarHBondContact O-N 3.36Å; H294-W296 VanDerWaalsContact O-N 3.16Å; H294-L297 WeakPolarHBondContact O-CB 3.31Å; H294-L297 PolarHBondContact O-N 2.92Å |
| 295 | R | 70.4 | Confident | 81 | Confident | 176 Ų | 176 | 81.4 Ų | 81.4 | 66% | 0.664 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -58.9 | -22.9 | 174.1 | -69.5 | -176.3 | -74.1 | -179.6 | -1.6 | 113.7 | D293 | D293-R295 HydrophobicContact CB-CB 4.37Å; D293-R295 PolarHBondContact O-N 3.27Å; D293-R295 VanDerWaalsContact O-N 3.11Å; D293-R295 PolarHBondContact OD1-N 2.92Å; D293-R295 IonicContact OD1-NE 3.75Å; D293-R295 IonicContact OD2-CZ 3.13Å; D293-R295 IonicContact OD2-NE 2.73Å; D293-R295 PolarHBondContact OD2-NE 2.86Å; D293-R295 IonicContact OD2-NH2 2.7Å; D293-R295 PolarHBondContact OD2-NH2 3.48Å |
| 296 | W | 77.8 | Confident | 80.8 | Confident | 58 Ų | 58 | 81.9 Ų | 81.9 | 22% | 0.22 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -88.7 | 2.3 | 177 | -63 | 98.2 | 0 | 0 | 0 | 114 | L289 Y292 D293 H294 W298 Y299 V300 S368 | L289-W296 HydrophobicContact CB-CB 4.13Å; L289-W296 HydrophobicContact CD2-CB 3.99Å; L289-W296 HydrophobicContact CD2-CD2 3.71Å; L289-W296 HydrophobicContact CD2-CE3 3.61Å; L289-W296 HydrophobicContact CD2-CG 3.87Å; L289-W296 HydrophobicContact CD2-CZ3 4.32Å; Y292-W296 AromaticContact CD1-NE1 3.88Å; D293-W296 PolarHBondContact O-N 3.32Å; D293-W296 VanDerWaalsContact O-N 3.08Å; H294-W296 PolarHBondContact O-N 3.36Å; H294-W296 VanDerWaalsContact O-N 3.16Å; W296-W298 PolarHBondContact O-N 2.94Å; W296-Y299 HydrophobicContact CD2-CD2 4.34Å; W296-Y299 AromaticContact CE3-CD2 3.26Å; W296-Y299 HydrophobicContact CE3-CD2 3.26Å; W296-Y299 AromaticContact CE3-CE2 3.48Å; W296-Y299 HydrophobicContact CE3-CE2 3.48Å; W296-Y299 VanDerWaalsContact CE3-CE2 3.48Å; W296-Y299 AromaticContact CE3-CG 3.8Å; W296-Y299 HydrophobicContact CE3-CG 3.8Å; W296-Y299 AromaticContact CZ3-CD2 3.68Å; W296-Y299 HydrophobicContact CZ3-CD2 3.68Å; W296-Y299 HydrophobicContact CZ3-CE1 4.35Å; W296-Y299 AromaticContact CZ3-CE2 3.38Å; W296-Y299 HydrophobicContact CZ3-CE2 3.38Å; W296-Y299 HydrophobicContact CZ3-CG 4.22Å; W296-Y299 AromaticContact CZ3-CZ 3.73Å; W296-Y299 WeakPolarHBondContact O-CA 3.47Å; W296-Y299 WeakPolarHBondContact O-CB 3.36Å; W296-Y299 PolarHBondContact O-N 3.05Å; W296-V300 PolarHBondContact O-N 3.15Å; W296-S368 WeakPolarHBondContact CH2-OG 3.44Å |
| 297 | L | 79.6 | Confident | 80.6 | Confident | 82 Ų | 82 | 81.3 Ų | 81.3 | 43% | 0.429 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -56.2 | -37.2 | -178.4 | -173.9 | 68.2 | 0 | 0 | 0 | 112.6 | H294 Y299 V300 K301 | H294-L297 WeakPolarHBondContact O-CB 3.31Å; H294-L297 PolarHBondContact O-N 2.92Å; L297-Y299 VanDerWaalsContact C-N 3.34Å; L297-Y299 PolarHBondContact O-N 3.47Å; L297-V300 PolarHBondContact O-N 2.96Å; L297-K301 HydrophobicContact CG-CD 4.43Å; L297-K301 WeakPolarHBondContact O-CB 3.47Å; L297-K301 WeakPolarHBondContact O-CG 2.99Å; L297-K301 PolarHBondContact O-N 3.49Å |
| 298 | W | 79.4 | Confident | 80.4 | Confident | 195 Ų | 195 | 75.6 Ų | 75.6 | 74% | 0.739 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.1 | -37.2 | 175.4 | -77.6 | 96.6 | 0 | 0 | 0 | 112.9 | W296 A302 | W296-W298 PolarHBondContact O-N 2.94Å; W298-A302 WeakPolarHBondContact O-CB 3.43Å; W298-A302 PolarHBondContact O-N 2.75Å |
| 299 | Y | 79.4 | Confident | 80.4 | Confident | 26 Ų | 26 | 74.4 Ų | 74.4 | 10% | 0.102 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.3 | -40 | 173.9 | -82.3 | -88 | 0 | 0 | 0 | 112.6 | W296 L297 A302 S303 I364 R365 S368 | W296-Y299 HydrophobicContact CD2-CD2 4.34Å; W296-Y299 AromaticContact CE3-CD2 3.26Å; W296-Y299 HydrophobicContact CE3-CD2 3.26Å; W296-Y299 AromaticContact CE3-CE2 3.48Å; W296-Y299 HydrophobicContact CE3-CE2 3.48Å; W296-Y299 VanDerWaalsContact CE3-CE2 3.48Å; W296-Y299 AromaticContact CE3-CG 3.8Å; W296-Y299 HydrophobicContact CE3-CG 3.8Å; W296-Y299 AromaticContact CZ3-CD2 3.68Å; W296-Y299 HydrophobicContact CZ3-CD2 3.68Å; W296-Y299 HydrophobicContact CZ3-CE1 4.35Å; W296-Y299 AromaticContact CZ3-CE2 3.38Å; W296-Y299 HydrophobicContact CZ3-CE2 3.38Å; W296-Y299 HydrophobicContact CZ3-CG 4.22Å; W296-Y299 AromaticContact CZ3-CZ 3.73Å; W296-Y299 WeakPolarHBondContact O-CA 3.47Å; W296-Y299 WeakPolarHBondContact O-CB 3.36Å; W296-Y299 PolarHBondContact O-N 3.05Å; L297-Y299 VanDerWaalsContact C-N 3.34Å; L297-Y299 PolarHBondContact O-N 3.47Å; Y299-A302 PolarHBondContact O-N 2.7Å; Y299-S303 WeakPolarHBondContact O-CB 3.47Å; Y299-S303 PolarHBondContact O-N 2.9Å; Y299-S303 PolarHBondContact O-OG 3.47Å; Y299-I364 HydrophobicContact CD1-CB 4.28Å; Y299-I364 HydrophobicContact CD1-CG2 3.54Å; Y299-I364 HydrophobicContact CD2-CG2 3.35Å; Y299-I364 HydrophobicContact CE1-CB 3.86Å; Y299-I364 HydrophobicContact CE1-CG2 3.31Å; Y299-I364 HydrophobicContact CE2-CB 4.38Å; Y299-I364 HydrophobicContact CE2-CG2 3.14Å; Y299-I364 HydrophobicContact CG-CG2 3.58Å; Y299-I364 PolarHBondContact OH-O 3.15Å; Y299-R365 WeakPolarHBondContact OH-CA 3.27Å; Y299-R365 PolarHBondContact OH-N 3.24Å; Y299-S368 WeakPolarHBondContact OH-CB 3.16Å |
| 300 | V | 80.1 | Confident | 80.3 | Confident | 19 Ų | 19 | 74.1 Ų | 74.1 | 12% | 0.115 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.1 | -48.7 | 175.5 | 168.8 | 0 | 0 | 0 | 0 | 109.9 | I286 L289 W296 L297 A302 S303 L304 | I286-V300 HydrophobicContact CG1-CG1 4.18Å; I286-V300 HydrophobicContact CG2-CG1 3.81Å; L289-V300 HydrophobicContact CB-CG2 3.75Å; L289-V300 HydrophobicContact CD1-CG2 4.21Å; W296-V300 PolarHBondContact O-N 3.15Å; L297-V300 PolarHBondContact O-N 2.96Å; V300-A302 PolarHBondContact O-N 2.97Å; V300-S303 PolarHBondContact O-N 2.87Å; V300-L304 WeakPolarHBondContact O-CB 3.5Å; V300-L304 PolarHBondContact O-N 3.07Å |
| 301 | K | 83.8 | Confident | 80.3 | Confident | 117 Ų | 117 | 72.8 Ų | 72.8 | 51% | 0.509 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.9 | -45.8 | 176.2 | -74 | 179.2 | 177.5 | -176.3 | 0 | 112.4 | L297 L304 L305 | L297-K301 HydrophobicContact CG-CD 4.43Å; L297-K301 WeakPolarHBondContact O-CB 3.47Å; L297-K301 WeakPolarHBondContact O-CG 2.99Å; L297-K301 PolarHBondContact O-N 3.49Å; K301-L304 PolarHBondContact O-N 3.45Å; K301-L305 WeakPolarHBondContact O-CB 3.06Å; K301-L305 PolarHBondContact O-N 3.41Å |
| 302 | A | 82 | Confident | 80.4 | Confident | 7 Ų | 7 | 72.9 Ų | 72.9 | 6% | 0.058 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | W298 Y299 V300 L305 I306 L360 I364 | W298-A302 WeakPolarHBondContact O-CB 3.43Å; W298-A302 PolarHBondContact O-N 2.75Å; Y299-A302 PolarHBondContact O-N 2.7Å; V300-A302 PolarHBondContact O-N 2.97Å; A302-L305 WeakPolarHBondContact O-CB 3.36Å; A302-L305 PolarHBondContact O-N 3Å; A302-I306 WeakPolarHBondContact O-CG1 3.19Å; A302-I306 PolarHBondContact O-N 3.31Å; A302-L360 HydrophobicContact CB-CD2 3.86Å; A302-L360 HydrophobicContact CB-CG 4.18Å; A302-I364 HydrophobicContact CB-CD1 3.32Å |
| 303 | S | 79.5 | Confident | 80.6 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.9 | -38.1 | 177.4 | -63.2 | 0 | 0 | 0 | 0 | 111.9 | R191 Y299 V300 I306 L307 | R191-S303 PolarHBondContact NH1-OG 2.95Å; R191-S303 PolarHBondContact NH2-OG 3.32Å; Y299-S303 WeakPolarHBondContact O-CB 3.47Å; Y299-S303 PolarHBondContact O-N 2.9Å; Y299-S303 PolarHBondContact O-OG 3.47Å; V300-S303 PolarHBondContact O-N 2.87Å; S303-I306 PolarHBondContact O-N 2.94Å; S303-L307 PolarHBondContact O-N 3.34Å |
| 304 | L | 83.1 | Confident | 81.1 | Confident | 89 Ų | 89 | 62 Ų | 62 | 47% | 0.466 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 171.9 | -178.1 | 65.7 | 0 | 0 | 0 | 111.5 | V300 K301 I306 L307 V308 | V300-L304 WeakPolarHBondContact O-CB 3.5Å; V300-L304 PolarHBondContact O-N 3.07Å; K301-L304 PolarHBondContact O-N 3.45Å; L304-I306 VanDerWaalsContact C-N 3.33Å; L304-I306 PolarHBondContact O-N 3.44Å; L304-L307 WeakPolarHBondContact O-CB 3.26Å; L304-L307 PolarHBondContact O-N 2.9Å; L304-L307 VanDerWaalsContact O-N 3.17Å; L304-V308 HydrophobicContact CG-CG2 4.5Å; L304-V308 WeakPolarHBondContact O-CG2 3.41Å; L304-V308 PolarHBondContact O-N 3.33Å |
| 305 | L | 86 | Confident | 81.6 | Confident | 83 Ų | 83 | 54.2 Ų | 54.2 | 44% | 0.435 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.6 | -44.2 | 176.7 | 179.8 | 65.3 | 0 | 0 | 0 | 111.6 | K301 A302 L307 V308 I309 L360 | K301-L305 WeakPolarHBondContact O-CB 3.06Å; K301-L305 PolarHBondContact O-N 3.41Å; A302-L305 WeakPolarHBondContact O-CB 3.36Å; A302-L305 PolarHBondContact O-N 3Å; L305-L307 VanDerWaalsContact C-N 3.34Å; L305-L307 PolarHBondContact O-N 3.45Å; L305-V308 PolarHBondContact O-N 2.93Å; L305-I309 HydrophobicContact CD1-CD1 4.06Å; L305-I309 HydrophobicContact CD1-CG1 4.42Å; L305-I309 HydrophobicContact CG-CD1 3.91Å; L305-I309 WeakPolarHBondContact O-CG1 2.91Å; L305-I309 PolarHBondContact O-N 2.88Å; L305-L360 HydrophobicContact CD2-CD2 4.02Å |
| 306 | I | 83.8 | Confident | 82 | Confident | 10 Ų | 10 | 47.7 Ų | 47.7 | 5% | 0.051 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.9 | -46.2 | 175.2 | -67.6 | 160.5 | 0 | 0 | 0 | 110.8 | Y282 A302 S303 L304 V308 I309 F310 L357 M361 | Y282-I306 HydrophobicContact CE1-CB 4.5Å; Y282-I306 HydrophobicContact CE2-CG2 4.28Å; Y282-I306 WeakPolarHBondContact OH-CG2 3.3Å; A302-I306 WeakPolarHBondContact O-CG1 3.19Å; A302-I306 PolarHBondContact O-N 3.31Å; S303-I306 PolarHBondContact O-N 2.94Å; L304-I306 VanDerWaalsContact C-N 3.33Å; L304-I306 PolarHBondContact O-N 3.44Å; I306-V308 VanDerWaalsContact C-N 3.33Å; I306-V308 PolarHBondContact O-N 2.94Å; I306-I309 PolarHBondContact O-N 3.4Å; I306-F310 WeakPolarHBondContact O-CB 3.39Å; I306-F310 PolarHBondContact O-N 2.81Å; I306-L357 HydrophobicContact CG1-CD1 4.19Å; I306-L357 HydrophobicContact CG1-CD2 3.6Å; I306-L357 HydrophobicContact CG1-CG 4.3Å; I306-L357 HydrophobicContact CG2-CD1 4.26Å; I306-M361 HydrophobicContact CD1-CG 3.86Å; I306-M361 HydrophobicContact CD1-SD 3.69Å |
| 307 | L | 83.3 | Confident | 81.9 | Confident | 24 Ų | 24 | 45 Ų | 45 | 13% | 0.126 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.9 | -41.4 | 179.3 | -175.6 | 66.2 | 0 | 0 | 0 | 112 | I278 I279 Y282 S303 L304 L305 T311 | I278-L307 HydrophobicContact CG2-CD1 3.81Å; I279-L307 HydrophobicContact CG1-CD1 3.96Å; Y282-L307 HydrophobicContact CD2-CD1 4.29Å; S303-L307 PolarHBondContact O-N 3.34Å; L304-L307 WeakPolarHBondContact O-CB 3.26Å; L304-L307 PolarHBondContact O-N 2.9Å; L304-L307 VanDerWaalsContact O-N 3.17Å; L305-L307 VanDerWaalsContact C-N 3.34Å; L305-L307 PolarHBondContact O-N 3.45Å; L307-T311 WeakPolarHBondContact O-CB 3.23Å; L307-T311 PolarHBondContact O-N 2.97Å; L307-T311 PolarHBondContact O-OG1 3.48Å |
| 308 | V | 85.9 | Confident | 81.8 | Confident | 66 Ų | 66 | 41.1 Ų | 41.1 | 40% | 0.4 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.5 | -47.8 | 177.7 | 169.1 | 0 | 0 | 0 | 0 | 110.8 | L304 L305 I306 F310 T311 I312 | L304-V308 HydrophobicContact CG-CG2 4.5Å; L304-V308 WeakPolarHBondContact O-CG2 3.41Å; L304-V308 PolarHBondContact O-N 3.33Å; L305-V308 PolarHBondContact O-N 2.93Å; I306-V308 VanDerWaalsContact C-N 3.33Å; I306-V308 PolarHBondContact O-N 2.94Å; V308-F310 PolarHBondContact O-N 2.93Å; V308-T311 PolarHBondContact O-N 2.85Å; V308-I312 HydrophobicContact CG1-CD1 3.58Å; V308-I312 HydrophobicContact CG1-CG1 4.38Å; V308-I312 WeakPolarHBondContact O-CB 3.49Å; V308-I312 VanDerWaalsContact O-CG1 3.31Å; V308-I312 WeakPolarHBondContact O-CG1 3.25Å; V308-I312 PolarHBondContact O-N 2.99Å |
| 309 | I | 85.6 | Confident | 81.7 | Confident | 28 Ų | 28 | 35.7 Ų | 35.7 | 14% | 0.144 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.7 | -50 | 177.7 | -72.7 | 166.1 | 0 | 0 | 0 | 110.5 | L305 I306 T311 I312 C313 L353 L357 | L305-I309 HydrophobicContact CD1-CD1 4.06Å; L305-I309 HydrophobicContact CD1-CG1 4.42Å; L305-I309 HydrophobicContact CG-CD1 3.91Å; L305-I309 WeakPolarHBondContact O-CG1 2.91Å; L305-I309 PolarHBondContact O-N 2.88Å; I306-I309 PolarHBondContact O-N 3.4Å; I309-T311 VanDerWaalsContact C-N 3.32Å; I309-T311 PolarHBondContact O-N 3.48Å; I309-I312 PolarHBondContact O-N 3.22Å; I309-C313 WeakPolarHBondContact O-CB 3.28Å; I309-C313 PolarHBondContact O-N 3.29Å; I309-C313 PolarHBondContact O-SG 3.31Å; I309-L353 HydrophobicContact CG2-CB 4.23Å; I309-L353 HydrophobicContact CG2-CD1 3.49Å; I309-L353 VanDerWaalsContact CG2-CD1 3.49Å; I309-L353 HydrophobicContact CG2-CG 4.48Å; I309-L357 HydrophobicContact CD1-CD2 3.84Å |
| 310 | F | 81.9 | Confident | 81.4 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 2% | 0.022 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.3 | -47.4 | 177.8 | -178.6 | -88 | 0 | 0 | 0 | 111.9 | I181 L184 F271 F275 I278 I306 V308 I312 C313 F314 | I181-F310 HydrophobicContact CB-CE2 4.4Å; I181-F310 HydrophobicContact CB-CZ 4.38Å; I181-F310 HydrophobicContact CG1-CE2 4.04Å; I181-F310 HydrophobicContact CG1-CZ 4.01Å; I181-F310 HydrophobicContact CG2-CE2 4.42Å; I181-F310 HydrophobicContact CG2-CZ 3.99Å; L184-F310 HydrophobicContact CB-CD2 4.48Å; L184-F310 HydrophobicContact CB-CE2 4.4Å; L184-F310 HydrophobicContact CD1-CD2 3.73Å; L184-F310 HydrophobicContact CD1-CE2 4.02Å; F271-F310 HydrophobicContact CE2-CE1 4.44Å; F275-F310 HydrophobicContact CB-CE1 4.33Å; F275-F310 AromaticContact CD2-CD1 3.79Å; F275-F310 HydrophobicContact CD2-CD1 3.79Å; F275-F310 AromaticContact CD2-CE1 3.48Å; F275-F310 HydrophobicContact CD2-CE1 3.48Å; F275-F310 VanDerWaalsContact CD2-CE1 3.48Å; F275-F310 HydrophobicContact CE2-CD1 4.11Å; F275-F310 HydrophobicContact CE2-CE1 4.2Å; F275-F310 HydrophobicContact CG-CE1 4.34Å; I278-F310 HydrophobicContact CD1-CD1 4.34Å; I278-F310 HydrophobicContact CD1-CD2 4.19Å; I278-F310 HydrophobicContact CD1-CE1 3.93Å; I278-F310 HydrophobicContact CD1-CE2 3.73Å; I278-F310 HydrophobicContact CD1-CG 4.47Å; I278-F310 HydrophobicContact CD1-CZ 3.59Å; I306-F310 WeakPolarHBondContact O-CB 3.39Å; I306-F310 PolarHBondContact O-N 2.81Å; V308-F310 PolarHBondContact O-N 2.93Å; F310-I312 PolarHBondContact O-N 3.45Å; F310-C313 PolarHBondContact O-N 3.16Å; F310-F314 AromaticContact CD2-CD2 3.38Å; F310-F314 HydrophobicContact CD2-CD2 3.38Å; F310-F314 AromaticContact CD2-CE2 3.7Å; F310-F314 HydrophobicContact CD2-CE2 3.7Å; F310-F314 HydrophobicContact CD2-CG 4.49Å; F310-F314 HydrophobicContact CE1-CB 4.4Å; F310-F314 HydrophobicContact CE1-CD2 4.44Å; F310-F314 AromaticContact CE2-CD2 3.34Å; F310-F314 HydrophobicContact CE2-CD2 3.34Å; F310-F314 AromaticContact CE2-CE2 3.72Å; F310-F314 HydrophobicContact CE2-CE2 3.72Å; F310-F314 HydrophobicContact CE2-CG 4.16Å; F310-F314 HydrophobicContact CG-CD2 4.02Å; F310-F314 HydrophobicContact CZ-CB 4.27Å; F310-F314 AromaticContact CZ-CD2 3.92Å; F310-F314 HydrophobicContact CZ-CD2 3.92Å; F310-F314 HydrophobicContact CZ-CG 4.34Å; F310-F314 WeakPolarHBondContact O-CB 3.5Å; F310-F314 PolarHBondContact O-N 3.24Å |
| 311 | T | 83.2 | Confident | 81 | Confident | 48 Ų | 48 | 35 Ų | 35 | 29% | 0.294 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.4 | -46 | -178.7 | -55.6 | 0 | 0 | 0 | 0 | 110.9 | F275 L307 V308 I309 A315 P316 | F275-T311 HydrophobicContact CE2-CG2 4.08Å; F275-T311 HydrophobicContact CZ-CG2 3.9Å; L307-T311 WeakPolarHBondContact O-CB 3.23Å; L307-T311 PolarHBondContact O-N 2.97Å; L307-T311 PolarHBondContact O-OG1 3.48Å; V308-T311 PolarHBondContact O-N 2.85Å; I309-T311 VanDerWaalsContact C-N 3.32Å; I309-T311 PolarHBondContact O-N 3.48Å; T311-A315 HydrophobicContact CG2-CB 4.22Å; T311-A315 WeakPolarHBondContact O-CB 3.3Å; T311-A315 PolarHBondContact O-N 3.44Å; T311-P316 VanDerWaalsContact O-CD 3.26Å; T311-P316 WeakPolarHBondContact O-CD 3.47Å |
| 312 | I | 84.3 | Confident | 80.4 | Confident | 89 Ų | 89 | 32.6 Ų | 32.6 | 46% | 0.456 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -68.4 | -40.1 | -178.9 | -68.2 | 172.3 | 0 | 0 | 0 | 111.2 | V308 I309 F310 P316 L346 | V308-I312 HydrophobicContact CG1-CD1 3.58Å; V308-I312 HydrophobicContact CG1-CG1 4.38Å; V308-I312 WeakPolarHBondContact O-CB 3.49Å; V308-I312 VanDerWaalsContact O-CG1 3.31Å; V308-I312 WeakPolarHBondContact O-CG1 3.25Å; V308-I312 PolarHBondContact O-N 2.99Å; I309-I312 PolarHBondContact O-N 3.22Å; F310-I312 PolarHBondContact O-N 3.45Å; I312-P316 WeakPolarHBondContact O-CD 3.48Å; I312-P316 VanDerWaalsContact O-CG 3.29Å; I312-P316 WeakPolarHBondContact O-CG 3.16Å; I312-L346 HydrophobicContact CG2-CD1 4.24Å; I312-L346 HydrophobicContact CG2-CD2 3.98Å; I312-L346 HydrophobicContact CG2-CG 4.37Å; I312-L346 WeakPolarHBondContact O-CD2 3.22Å |
| 313 | C | 82.9 | Confident | 79.8 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 3% | 0.027 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -75.2 | -40.1 | -177.4 | -72.7 | 0 | 0 | 0 | 0 | 113.4 | I309 F310 S317 L346 G347 N350 | I309-C313 WeakPolarHBondContact O-CB 3.28Å; I309-C313 PolarHBondContact O-N 3.29Å; I309-C313 PolarHBondContact O-SG 3.31Å; F310-C313 PolarHBondContact O-N 3.16Å; C313-S317 PolarHBondContact O-OG 3.01Å; C313-S317 VanDerWaalsContact O-OG 3.1Å; C313-L346 PolarHBondContact SG-O 3.39Å; C313-G347 WeakPolarHBondContact O-CA 3.48Å; C313-G347 PolarHBondContact O-N 3.29Å; C313-N350 HydrophobicContact CB-CB 4.02Å |
| 314 | F | 81.1 | Confident | 79.4 | Confident | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -106.2 | -31.4 | -170.4 | -66.5 | -68.3 | 0 | 0 | 0 | 114.8 | M177 I181 L184 F271 F310 S317 N318 N350 | M177-F314 HydrophobicContact CG-CD1 3.97Å; M177-F314 HydrophobicContact CG-CE1 3.93Å; I181-F314 HydrophobicContact CD1-CB 4.32Å; I181-F314 HydrophobicContact CD1-CD1 3.74Å; I181-F314 HydrophobicContact CD1-CE1 4.23Å; I181-F314 HydrophobicContact CD1-CG 4.1Å; I181-F314 HydrophobicContact CG1-CB 4.36Å; I181-F314 HydrophobicContact CG1-CD1 3.68Å; I181-F314 HydrophobicContact CG1-CD2 4.17Å; I181-F314 HydrophobicContact CG1-CE1 3.88Å; I181-F314 HydrophobicContact CG1-CE2 4.33Å; I181-F314 HydrophobicContact CG1-CG 3.81Å; I181-F314 HydrophobicContact CG1-CZ 4.18Å; L184-F314 HydrophobicContact CD1-CE2 4.09Å; F271-F314 HydrophobicContact CD2-CB 4.35Å; F271-F314 HydrophobicContact CE2-CB 4.02Å; F310-F314 AromaticContact CD2-CD2 3.38Å; F310-F314 HydrophobicContact CD2-CD2 3.38Å; F310-F314 AromaticContact CD2-CE2 3.7Å; F310-F314 HydrophobicContact CD2-CE2 3.7Å; F310-F314 HydrophobicContact CD2-CG 4.49Å; F310-F314 HydrophobicContact CE1-CB 4.4Å; F310-F314 HydrophobicContact CE1-CD2 4.44Å; F310-F314 AromaticContact CE2-CD2 3.34Å; F310-F314 HydrophobicContact CE2-CD2 3.34Å; F310-F314 AromaticContact CE2-CE2 3.72Å; F310-F314 HydrophobicContact CE2-CE2 3.72Å; F310-F314 HydrophobicContact CE2-CG 4.16Å; F310-F314 HydrophobicContact CG-CD2 4.02Å; F310-F314 HydrophobicContact CZ-CB 4.27Å; F310-F314 AromaticContact CZ-CD2 3.92Å; F310-F314 HydrophobicContact CZ-CD2 3.92Å; F310-F314 HydrophobicContact CZ-CG 4.34Å; F310-F314 WeakPolarHBondContact O-CB 3.5Å; F310-F314 PolarHBondContact O-N 3.24Å; F314-S317 PolarHBondContact O-N 3.13Å; F314-N318 PolarHBondContact O-N 2.94Å; F314-N318 VanDerWaalsContact O-N 3.15Å; F314-N318 PolarHBondContact O-ND2 2.73Å; F314-N350 HydrophobicContact CE1-CB 4.37Å; F314-N350 HydrophobicContact CE2-CB 3.9Å; F314-N350 WeakPolarHBondContact CE2-OD1 3.21Å; F314-N350 HydrophobicContact CZ-CB 3.63Å; F314-N350 VanDerWaalsContact CZ-ND2 3.3Å; F314-N350 WeakPolarHBondContact CZ-ND2 3.48Å |
| 315 | A | 80.7 | Confident | 78.5 | Confident | 8 Ų | 8 | 34.1 Ų | 34.1 | 7% | 0.066 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.6 | -46.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F271 T311 S317 N318 I319 | F271-A315 HydrophobicContact CE2-CB 4.29Å; F271-A315 VanDerWaalsContact CZ-CA 3.43Å; F271-A315 HydrophobicContact CZ-CB 3.69Å; T311-A315 HydrophobicContact CG2-CB 4.22Å; T311-A315 WeakPolarHBondContact O-CB 3.3Å; T311-A315 PolarHBondContact O-N 3.44Å; A315-S317 VanDerWaalsContact C-N 3.31Å; A315-S317 PolarHBondContact O-N 2.94Å; A315-N318 PolarHBondContact O-N 2.82Å; A315-I319 HydrophobicContact CB-CD1 4.14Å; A315-I319 VanDerWaalsContact O-CB 3.22Å; A315-I319 WeakPolarHBondContact O-CB 3.32Å; A315-I319 WeakPolarHBondContact O-CD1 3.37Å; A315-I319 WeakPolarHBondContact O-CG1 3.35Å; A315-I319 PolarHBondContact O-N 2.61Å |
| 316 | P | 79.4 | Confident | 77.7 | Confident | 40 Ų | 40 | 32 Ų | 32 | 26% | 0.26 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -55.7 | -48.1 | 175.1 | -26.4 | 36.7 | 0 | 0 | 0 | 111.4 | T311 I312 N318 I319 I320 A343 L346 | T311-P316 VanDerWaalsContact O-CD 3.26Å; T311-P316 WeakPolarHBondContact O-CD 3.47Å; I312-P316 WeakPolarHBondContact O-CD 3.48Å; I312-P316 VanDerWaalsContact O-CG 3.29Å; I312-P316 WeakPolarHBondContact O-CG 3.16Å; P316-N318 PolarHBondContact O-N 2.75Å; P316-I319 PolarHBondContact O-N 3.02Å; P316-I320 HydrophobicContact CB-CD1 4.03Å; P316-I320 WeakPolarHBondContact O-CB 3.24Å; P316-I320 WeakPolarHBondContact O-CD1 3.48Å; P316-I320 WeakPolarHBondContact O-CG1 3.43Å; P316-I320 PolarHBondContact O-N 3.22Å; P316-A343 HydrophobicContact CB-CB 4.04Å; P316-L346 HydrophobicContact CG-CD2 4.2Å |
| 317 | S | 74.8 | Confident | 76.9 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.1 | -47.1 | -174.6 | -40.5 | 0 | 0 | 0 | 0 | 112 | C313 F314 A315 L321 A343 | C313-S317 PolarHBondContact O-OG 3.01Å; C313-S317 VanDerWaalsContact O-OG 3.1Å; F314-S317 PolarHBondContact O-N 3.13Å; A315-S317 VanDerWaalsContact C-N 3.31Å; A315-S317 PolarHBondContact O-N 2.94Å; S317-L321 WeakPolarHBondContact O-CB 3.47Å; S317-L321 PolarHBondContact O-N 3.31Å; S317-A343 VanDerWaalsContact OG-C 3.22Å; S317-A343 PolarHBondContact OG-O 3.42Å |
| 318 | N | 77.6 | Confident | 76.1 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -77.5 | -38.2 | -178.2 | -73.1 | -84.7 | 0 | 0 | 0 | 112.4 | F271 F314 A315 P316 L321 I322 | F271-N318 HydrophobicContact CB-CB 3.88Å; F271-N318 HydrophobicContact CD1-CB 3.46Å; F271-N318 VanDerWaalsContact CD1-CB 3.46Å; F271-N318 HydrophobicContact CD2-CB 3.86Å; F271-N318 HydrophobicContact CE1-CB 3.97Å; F271-N318 HydrophobicContact CE2-CB 4.33Å; F271-N318 HydrophobicContact CG-CB 3.42Å; F271-N318 VanDerWaalsContact CG-CB 3.42Å; F271-N318 HydrophobicContact CZ-CB 4.4Å; F314-N318 PolarHBondContact O-N 2.94Å; F314-N318 VanDerWaalsContact O-N 3.15Å; F314-N318 PolarHBondContact O-ND2 2.73Å; A315-N318 PolarHBondContact O-N 2.82Å; P316-N318 PolarHBondContact O-N 2.75Å; N318-L321 PolarHBondContact O-N 3.27Å; N318-I322 WeakPolarHBondContact O-CD1 3.14Å; N318-I322 VanDerWaalsContact O-CG1 3.22Å; N318-I322 WeakPolarHBondContact O-CG1 3.03Å; N318-I322 PolarHBondContact O-N 2.9Å; N318-I322 VanDerWaalsContact O-N 3.13Å |
| 319 | I | 76.9 | Confident | 75 | Confident | 81 Ų | 81 | 36.2 Ų | 36.2 | 42% | 0.415 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.3 | -46.2 | 176.5 | -68.4 | 168 | 0 | 0 | 0 | 110.1 | F271 A315 P316 I322 I323 | F271-I319 HydrophobicContact CE1-CG1 4.5Å; A315-I319 HydrophobicContact CB-CD1 4.14Å; A315-I319 VanDerWaalsContact O-CB 3.22Å; A315-I319 WeakPolarHBondContact O-CB 3.32Å; A315-I319 WeakPolarHBondContact O-CD1 3.37Å; A315-I319 WeakPolarHBondContact O-CG1 3.35Å; A315-I319 PolarHBondContact O-N 2.61Å; P316-I319 PolarHBondContact O-N 3.02Å; I319-I322 PolarHBondContact O-N 2.73Å; I319-I323 HydrophobicContact CG2-CD1 3.67Å; I319-I323 HydrophobicContact CG2-CG1 4.44Å; I319-I323 VanDerWaalsContact O-CG1 3.26Å; I319-I323 WeakPolarHBondContact O-CG1 3.43Å; I319-I323 PolarHBondContact O-N 2.91Å |
| 320 | I | 74.2 | Confident | 73.9 | Confident | 26 Ų | 26 | 43.2 Ų | 43.2 | 13% | 0.133 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.9 | -35.7 | -178.7 | -63.8 | 157.1 | 0 | 0 | 0 | 110.8 | P316 I322 I323 H324 I339 Y340 A343 | P316-I320 HydrophobicContact CB-CD1 4.03Å; P316-I320 WeakPolarHBondContact O-CB 3.24Å; P316-I320 WeakPolarHBondContact O-CD1 3.48Å; P316-I320 WeakPolarHBondContact O-CG1 3.43Å; P316-I320 PolarHBondContact O-N 3.22Å; I320-I322 PolarHBondContact O-N 3.06Å; I320-I323 PolarHBondContact O-N 3.34Å; I320-H324 WeakPolarHBondContact O-CB 3.29Å; I320-H324 PolarHBondContact O-N 3.33Å; I320-I339 HydrophobicContact CD1-CG2 3.39Å; I320-I339 HydrophobicContact CG1-CG2 3.94Å; I320-I339 HydrophobicContact CG2-CB 4.38Å; I320-I339 HydrophobicContact CG2-CG2 4.06Å; I320-Y340 VanDerWaalsContact CG2-CA 3.44Å; I320-A343 HydrophobicContact CD1-CB 3.6Å |
| 321 | L | 70.8 | Confident | 72.9 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.7 | -49.2 | 171.5 | -178.5 | 76.4 | 0 | 0 | 0 | 111.1 | F263 S317 N318 I323 H324 H325 Y340 | F263-L321 HydrophobicContact CD1-CD1 4.44Å; F263-L321 HydrophobicContact CD1-CD2 4.28Å; F263-L321 HydrophobicContact CD1-CG 4.48Å; F263-L321 HydrophobicContact CE1-CD1 4.41Å; S317-L321 WeakPolarHBondContact O-CB 3.47Å; S317-L321 PolarHBondContact O-N 3.31Å; N318-L321 PolarHBondContact O-N 3.27Å; L321-I323 PolarHBondContact O-N 2.87Å; L321-H324 PolarHBondContact O-N 3.43Å; L321-H325 WeakPolarHBondContact CD1-NE2 3.35Å; L321-H325 PolarHBondContact O-CD2 3.38Å; L321-H325 PolarHBondContact O-N 3.06Å; L321-Y340 HydrophobicContact CB-CD2 4.32Å; L321-Y340 HydrophobicContact CB-CE2 3.98Å; L321-Y340 HydrophobicContact CD1-CD2 4.25Å; L321-Y340 HydrophobicContact CD1-CE2 3.31Å; L321-Y340 WeakPolarHBondContact CD1-OH 3.26Å; L321-Y340 HydrophobicContact CG-CE2 4.24Å |
| 322 | I | 71.3 | Confident | 71.7 | Confident | 67 Ų | 67 | 50.6 Ų | 50.6 | 34% | 0.344 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.2 | -49.6 | 177.8 | -61.6 | 159.4 | 0 | 0 | 0 | 110.7 | A267 N318 I319 I320 H324 H325 A326 | A267-I322 HydrophobicContact CB-CD1 3.4Å; A267-I322 VanDerWaalsContact CB-CD1 3.4Å; A267-I322 HydrophobicContact CB-CG1 3.29Å; N318-I322 WeakPolarHBondContact O-CD1 3.14Å; N318-I322 VanDerWaalsContact O-CG1 3.22Å; N318-I322 WeakPolarHBondContact O-CG1 3.03Å; N318-I322 PolarHBondContact O-N 2.9Å; N318-I322 VanDerWaalsContact O-N 3.13Å; I319-I322 PolarHBondContact O-N 2.73Å; I320-I322 PolarHBondContact O-N 3.06Å; I322-H324 VanDerWaalsContact C-N 3.3Å; I322-H324 PolarHBondContact O-N 3.37Å; I322-H325 PolarHBondContact O-N 3.17Å; I322-A326 WeakPolarHBondContact O-CB 3.47Å; I322-A326 PolarHBondContact O-N 3.18Å |
| 323 | I | 70.4 | Confident | 70.4 | Confident | 74 Ų | 74 | 50.1 Ų | 50.1 | 38% | 0.379 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.2 | -37.8 | -176.4 | -65.3 | 170.4 | 0 | 0 | 0 | 110.6 | I319 I320 L321 N327 L336 | I319-I323 HydrophobicContact CG2-CD1 3.67Å; I319-I323 HydrophobicContact CG2-CG1 4.44Å; I319-I323 VanDerWaalsContact O-CG1 3.26Å; I319-I323 WeakPolarHBondContact O-CG1 3.43Å; I319-I323 PolarHBondContact O-N 2.91Å; I320-I323 PolarHBondContact O-N 3.34Å; L321-I323 PolarHBondContact O-N 2.87Å; I323-N327 VanDerWaalsContact CG2-ND2 3.29Å; I323-N327 WeakPolarHBondContact CG2-ND2 3.16Å; I323-N327 VanDerWaalsContact O-CB 3.3Å; I323-N327 WeakPolarHBondContact O-CB 3.1Å; I323-N327 PolarHBondContact O-N 3.16Å; I323-N327 PolarHBondContact O-ND2 3.23Å; I323-L336 HydrophobicContact CG2-CD1 3.44Å; I323-L336 VanDerWaalsContact CG2-CD1 3.44Å |
| 324 | H | 69.8 | Low | 69.3 | Low | 17 Ų | 17 | 51.3 Ų | 51.3 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.5 | -51.6 | 177.3 | 177.3 | 58.6 | 0 | 0 | 0 | 111 | I320 L321 I322 A326 N327 Y328 Y337 | I320-H324 WeakPolarHBondContact O-CB 3.29Å; I320-H324 PolarHBondContact O-N 3.33Å; L321-H324 PolarHBondContact O-N 3.43Å; I322-H324 VanDerWaalsContact C-N 3.3Å; I322-H324 PolarHBondContact O-N 3.37Å; H324-A326 PolarHBondContact O-N 2.84Å; H324-N327 PolarHBondContact O-N 3.41Å; H324-Y328 WeakPolarHBondContact O-CB 3.18Å; H324-Y328 PolarHBondContact O-N 3.31Å; H324-Y337 AromaticContact CE1-CD2 3.9Å; H324-Y337 AromaticContact NE2-CD2 3.77Å |
| 325 | H | 65.8 | Low | 68.3 | Low | 37 Ų | 37 | 54.2 Ų | 54.2 | 17% | 0.171 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.7 | -34.6 | 179.9 | -73.8 | -68.3 | 0 | 0 | 0 | 112.9 | F263 L321 I322 Y329 | F263-H325 AromaticContact CD1-CD2 3.97Å; F263-H325 AromaticContact CD1-NE2 3.91Å; F263-H325 AromaticContact CD2-CD2 3.99Å; F263-H325 AromaticContact CD2-CE1 3.88Å; F263-H325 AromaticContact CD2-CG 3.93Å; F263-H325 AromaticContact CD2-ND1 3.86Å; F263-H325 AromaticContact CD2-NE2 3.98Å; F263-H325 AromaticContact CE1-NE2 3.7Å; F263-H325 AromaticContact CE2-CE1 3.51Å; F263-H325 AromaticContact CE2-ND1 3.87Å; F263-H325 AromaticContact CE2-NE2 3.79Å; F263-H325 AromaticContact CG-CD2 3.84Å; F263-H325 AromaticContact CZ-CE1 3.7Å; F263-H325 AromaticContact CZ-NE2 3.65Å; L321-H325 WeakPolarHBondContact CD1-NE2 3.35Å; L321-H325 PolarHBondContact O-CD2 3.38Å; L321-H325 PolarHBondContact O-N 3.06Å; I322-H325 PolarHBondContact O-N 3.17Å; H325-Y329 WeakPolarHBondContact O-CB 3.48Å; H325-Y329 PolarHBondContact O-N 3.03Å |
| 326 | A | 68.3 | Low | 67.5 | Low | 38 Ų | 38 | 56.3 Ų | 56.3 | 31% | 0.314 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.6 | -44.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | I322 H324 Y329 Y330 | I322-A326 WeakPolarHBondContact O-CB 3.47Å; I322-A326 PolarHBondContact O-N 3.18Å; H324-A326 PolarHBondContact O-N 2.84Å; A326-Y329 PolarHBondContact O-N 3.49Å; A326-Y330 WeakPolarHBondContact O-CB 3.44Å; A326-Y330 WeakPolarHBondContact O-CD2 3.12Å; A326-Y330 PolarHBondContact O-N 3Å |
| 327 | N | 67.8 | Low | 66.9 | Low | 42 Ų | 42 | 55.7 Ų | 55.7 | 23% | 0.225 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.2 | -35.8 | 177.2 | -83.1 | -61.8 | 0 | 0 | 0 | 112.8 | I323 H324 Y329 N331 N332 | I323-N327 VanDerWaalsContact CG2-ND2 3.29Å; I323-N327 WeakPolarHBondContact CG2-ND2 3.16Å; I323-N327 VanDerWaalsContact O-CB 3.3Å; I323-N327 WeakPolarHBondContact O-CB 3.1Å; I323-N327 PolarHBondContact O-N 3.16Å; I323-N327 PolarHBondContact O-ND2 3.23Å; H324-N327 PolarHBondContact O-N 3.41Å; N327-Y329 VanDerWaalsContact C-N 3.3Å; N327-Y329 PolarHBondContact O-N 3.48Å; N327-N331 CarbonylContact O-C 3.55Å; N327-N331 WeakPolarHBondContact O-CA 3.39Å; N327-N331 WeakPolarHBondContact O-CB 3.39Å; N327-N331 PolarHBondContact O-N 3.17Å; N327-N331 PolarHBondContact OD1-ND2 3.47Å; N327-N332 PolarHBondContact O-N 3.03Å |
| 328 | Y | 64.9 | Low | 66.5 | Low | 47 Ų | 47 | 60.8 Ų | 60.8 | 18% | 0.184 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.1 | -45.9 | 172.9 | -177.4 | -100.2 | 0 | 0 | 0 | 110.4 | H324 N332 | H324-Y328 WeakPolarHBondContact O-CB 3.18Å; H324-Y328 PolarHBondContact O-N 3.31Å; Y328-N332 PolarHBondContact O-N 3.13Å; Y328-N332 PolarHBondContact O-OD1 3.39Å |
| 329 | Y | 63.2 | Low | 66.2 | Low | 100 Ų | 100 | 64.5 Ų | 64.5 | 39% | 0.392 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.9 | -43.7 | 179.3 | -172.2 | -94 | 0 | 0 | 0 | 113.7 | L260 H325 A326 N327 | L260-Y329 HydrophobicContact CD1-CD1 3.63Å; L260-Y329 HydrophobicContact CD1-CD2 3.8Å; L260-Y329 HydrophobicContact CD1-CE1 4.03Å; L260-Y329 HydrophobicContact CD1-CE2 4.19Å; L260-Y329 HydrophobicContact CD1-CG 3.5Å; L260-Y329 VanDerWaalsContact CD1-CG 3.5Å; H325-Y329 WeakPolarHBondContact O-CB 3.48Å; H325-Y329 PolarHBondContact O-N 3.03Å; A326-Y329 PolarHBondContact O-N 3.49Å; N327-Y329 VanDerWaalsContact C-N 3.3Å; N327-Y329 PolarHBondContact O-N 3.48Å |
| 330 | Y | 62.2 | Low | 65.9 | Low | 175 Ų | 175 | 61.1 Ų | 61.1 | 69% | 0.686 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -91.8 | -37.9 | -173.5 | -82 | -77.7 | 0 | 0 | 0 | 114.7 | A326 | A326-Y330 WeakPolarHBondContact O-CB 3.44Å; A326-Y330 WeakPolarHBondContact O-CD2 3.12Å; A326-Y330 PolarHBondContact O-N 3Å |
| 331 | N | 61 | Low | 65.7 | Low | 99 Ų | 99 | 60.1 Ų | 60.1 | 53% | 0.529 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -117.6 | -6.7 | -166.1 | -68.4 | -29.6 | 0 | 0 | 0 | 113.7 | N327 T333 | N327-N331 CarbonylContact O-C 3.55Å; N327-N331 WeakPolarHBondContact O-CA 3.39Å; N327-N331 WeakPolarHBondContact O-CB 3.39Å; N327-N331 PolarHBondContact O-N 3.17Å; N327-N331 PolarHBondContact OD1-ND2 3.47Å; N331-T333 PolarHBondContact O-N 2.84Å |
| 332 | N | 59 | Low | 65.8 | Low | 110 Ų | 110 | 63.4 Ų | 63.4 | 59% | 0.588 | 33% | 0.328 | S | S | * | . | trans | 53.1 | 22.2 | -176.7 | -79.1 | -39.4 | 0 | 0 | 0 | 114.3 | K81 N327 Y328 | K81-N332 PolarHBondContact NZ-O 2.91Å; N327-N332 PolarHBondContact O-N 3.03Å; Y328-N332 PolarHBondContact O-N 3.13Å; Y328-N332 PolarHBondContact O-OD1 3.39Å | ||
| 333 | T | 56.6 | Low | 66.2 | Low | 79 Ų | 79 | 60.4 Ų | 60.4 | 49% | 0.485 | 31% | 0.313 | S | S | . | . | trans | -103.7 | 126 | -177.7 | 49 | 0 | 0 | 0 | 0 | 112.2 | N331 | N331-T333 PolarHBondContact O-N 2.84Š| ||
| 334 | D | 60.7 | Low | 66.5 | Low | 28 Ų | 28 | 57.4 Ų | 57.4 | 15% | 0.15 | 30% | 0.298 | C | S | . | . | trans | -96.3 | 12.6 | -176.3 | -65.4 | -44.4 | 0 | 0 | 0 | 114.1 | K81 A83 L336 Y337 | K81-D334 WeakPolarHBondContact CD-OD2 3.18Å; K81-D334 IonicContact NZ-OD2 3.46Å; K81-D334 PolarHBondContact NZ-OD2 3.2Å; A83-D334 HydrophobicContact CB-CB 4.49Å; D334-L336 PolarHBondContact O-N 2.8Å; D334-Y337 PolarHBondContact O-N 3.06Å | ||
| 335 | G | 58.6 | Low | 67.1 | Low | 65 Ų | 65 | 56.8 Ų | 56.8 | 67% | 0.67 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -12.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 336 | L | 65.2 | Low | 67.8 | Low | 53 Ų | 53 | 57.6 Ų | 57.6 | 28% | 0.277 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -3.9 | -176.8 | -61.6 | 177.4 | 0 | 0 | 0 | 114.1 | I323 D334 F338 I339 Y340 | I323-L336 HydrophobicContact CG2-CD1 3.44Å; I323-L336 VanDerWaalsContact CG2-CD1 3.44Å; D334-L336 PolarHBondContact O-N 2.8Å; L336-F338 VanDerWaalsContact C-N 3.27Å; L336-F338 PolarHBondContact O-N 3.4Å; L336-I339 HydrophobicContact CD2-CD1 3.96Å; L336-I339 PolarHBondContact O-N 3.43Å; L336-I339 VanDerWaalsContact O-N 3.09Å; L336-Y340 PolarHBondContact O-N 2.57Å |
| 337 | Y | 66.5 | Low | 68.6 | Low | 26 Ų | 26 | 56.2 Ų | 56.2 | 10% | 0.102 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.9 | -34.2 | -178.1 | -174.9 | -101.1 | 0 | 0 | 0 | 112.7 | Y87 D247 H324 D334 I339 Y340 L341 | Y87-Y337 HydrophobicContact CD1-CD1 4.09Å; Y87-Y337 AromaticContact CD1-CE1 3.47Å; Y87-Y337 HydrophobicContact CD1-CE1 3.47Å; Y87-Y337 VanDerWaalsContact CD1-CE1 3.47Å; Y87-Y337 HydrophobicContact CD2-CD1 4.35Å; Y87-Y337 HydrophobicContact CD2-CE1 4.25Å; Y87-Y337 HydrophobicContact CE1-CD1 4.44Å; Y87-Y337 AromaticContact CE1-CE1 3.49Å; Y87-Y337 HydrophobicContact CE1-CE1 3.49Å; Y87-Y337 VanDerWaalsContact CE1-CE1 3.49Å; Y87-Y337 HydrophobicContact CE2-CE1 4.26Å; Y87-Y337 HydrophobicContact CG-CD1 4.03Å; Y87-Y337 AromaticContact CG-CE1 3.86Å; Y87-Y337 HydrophobicContact CG-CE1 3.86Å; Y87-Y337 AromaticContact CZ-CE1 3.89Å; D247-Y337 PolarHBondContact O-OH 3.29Å; H324-Y337 AromaticContact CE1-CD2 3.9Å; H324-Y337 AromaticContact NE2-CD2 3.77Å; D334-Y337 PolarHBondContact O-N 3.06Å; Y337-I339 PolarHBondContact O-N 3.13Å; Y337-Y340 HydrophobicContact CD2-CD1 4.17Å; Y337-Y340 HydrophobicContact CE2-CD1 4.17Å; Y337-Y340 HydrophobicContact CE2-CE1 4.48Å; Y337-Y340 WeakPolarHBondContact O-CB 3.44Å; Y337-Y340 PolarHBondContact O-N 3.5Å; Y337-L341 HydrophobicContact CD1-CD1 3.77Å; Y337-L341 HydrophobicContact CE1-CD1 3.32Å; Y337-L341 HydrophobicContact CE1-CG 4.18Å; Y337-L341 PolarHBondContact O-N 3.2Å; Y337-L341 VanDerWaalsContact O-N 3.15Å |
| 338 | F | 66.8 | Low | 69.5 | Low | 109 Ų | 109 | 54.5 Ų | 54.5 | 48% | 0.478 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.9 | -48.2 | 171.1 | 170.5 | -93.7 | 0 | 0 | 0 | 112.6 | L92 L336 Y340 L341 I342 | L92-F338 HydrophobicContact CD1-CE2 3.83Å; L92-F338 HydrophobicContact CD1-CZ 4.49Å; L92-F338 HydrophobicContact CD2-CD2 3.23Å; L92-F338 HydrophobicContact CD2-CE2 3.23Å; L92-F338 HydrophobicContact CD2-CG 4.39Å; L92-F338 HydrophobicContact CD2-CZ 4.39Å; L92-F338 HydrophobicContact CG-CD2 4.49Å; L92-F338 HydrophobicContact CG-CE2 4.1Å; L336-F338 VanDerWaalsContact C-N 3.27Å; L336-F338 PolarHBondContact O-N 3.4Å; F338-Y340 VanDerWaalsContact C-N 3.29Å; F338-Y340 PolarHBondContact O-N 3.26Å; F338-L341 PolarHBondContact O-N 2.88Å; F338-I342 HydrophobicContact CD1-CD1 4.07Å; F338-I342 HydrophobicContact CE1-CD1 3.39Å; F338-I342 HydrophobicContact CE2-CD1 3.96Å; F338-I342 HydrophobicContact CZ-CD1 3.33Å; F338-I342 PolarHBondContact O-N 3.43Å |
| 339 | I | 69.8 | Low | 70.6 | Confident | 77 Ų | 77 | 54.6 Ų | 54.6 | 40% | 0.395 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.7 | -35.3 | -177.1 | -60.5 | 179.9 | 0 | 0 | 0 | 109.7 | I320 L336 Y337 A343 | I320-I339 HydrophobicContact CD1-CG2 3.39Å; I320-I339 HydrophobicContact CG1-CG2 3.94Å; I320-I339 HydrophobicContact CG2-CB 4.38Å; I320-I339 HydrophobicContact CG2-CG2 4.06Å; L336-I339 HydrophobicContact CD2-CD1 3.96Å; L336-I339 PolarHBondContact O-N 3.43Å; L336-I339 VanDerWaalsContact O-N 3.09Å; Y337-I339 PolarHBondContact O-N 3.13Å; I339-A343 WeakPolarHBondContact O-CB 3.22Å; I339-A343 PolarHBondContact O-N 3.26Å |
| 340 | Y | 71.6 | Confident | 71.8 | Confident | 11 Ų | 11 | 50 Ų | 50 | 4% | 0.043 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.6 | -48.1 | 175.5 | 168.9 | -113.3 | 0 | 0 | 0 | 112.6 | Y174 I320 L321 L336 Y337 F338 A343 L344 | Y174-Y340 PolarHBondContact OH-OH 3.44Å; I320-Y340 VanDerWaalsContact CG2-CA 3.44Å; L321-Y340 HydrophobicContact CB-CD2 4.32Å; L321-Y340 HydrophobicContact CB-CE2 3.98Å; L321-Y340 HydrophobicContact CD1-CD2 4.25Å; L321-Y340 HydrophobicContact CD1-CE2 3.31Å; L321-Y340 WeakPolarHBondContact CD1-OH 3.26Å; L321-Y340 HydrophobicContact CG-CE2 4.24Å; L336-Y340 PolarHBondContact O-N 2.57Å; Y337-Y340 HydrophobicContact CD2-CD1 4.17Å; Y337-Y340 HydrophobicContact CE2-CD1 4.17Å; Y337-Y340 HydrophobicContact CE2-CE1 4.48Å; Y337-Y340 WeakPolarHBondContact O-CB 3.44Å; Y337-Y340 PolarHBondContact O-N 3.5Å; F338-Y340 VanDerWaalsContact C-N 3.29Å; F338-Y340 PolarHBondContact O-N 3.26Å; Y340-A343 WeakPolarHBondContact O-CB 3.18Å; Y340-A343 PolarHBondContact O-N 3.06Å; Y340-A343 VanDerWaalsContact O-N 3.17Å; Y340-L344 HydrophobicContact CD1-CD1 4.29Å; Y340-L344 HydrophobicContact CD2-CG 4.31Å; Y340-L344 HydrophobicContact CE1-CD1 3.57Å; Y340-L344 HydrophobicContact CE1-CG 4.19Å; Y340-L344 HydrophobicContact CE2-CD1 4.03Å; Y340-L344 HydrophobicContact CE2-CD2 3.85Å; Y340-L344 HydrophobicContact CE2-CG 3.83Å; Y340-L344 VanDerWaalsContact CZ-CD1 3.45Å; Y340-L344 PolarHBondContact O-N 3.03Å |
| 341 | L | 70.1 | Confident | 73.2 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.4 | -38.6 | -178.3 | -74.8 | 161.5 | 0 | 0 | 0 | 113.5 | Y87 I97 Y337 F338 A343 L344 C345 | Y87-L341 HydrophobicContact CD2-CD1 3.95Å; Y87-L341 HydrophobicContact CE1-CD1 3.99Å; Y87-L341 HydrophobicContact CE2-CD1 3.12Å; Y87-L341 WeakPolarHBondContact OH-CD1 3.41Å; I97-L341 HydrophobicContact CD1-CB 4.17Å; I97-L341 HydrophobicContact CD1-CD1 4.28Å; I97-L341 HydrophobicContact CD1-CD2 4.24Å; Y337-L341 HydrophobicContact CD1-CD1 3.77Å; Y337-L341 HydrophobicContact CE1-CD1 3.32Å; Y337-L341 HydrophobicContact CE1-CG 4.18Å; Y337-L341 PolarHBondContact O-N 3.2Å; Y337-L341 VanDerWaalsContact O-N 3.15Å; F338-L341 PolarHBondContact O-N 2.88Å; L341-A343 PolarHBondContact O-N 3.33Å; L341-L344 HydrophobicContact CD2-CD1 4.42Å; L341-L344 PolarHBondContact O-N 3.08Å; L341-C345 PolarHBondContact O-N 3.18Å; L341-C345 PolarHBondContact O-SG 2.82Å |
| 342 | I | 73.1 | Confident | 74.7 | Confident | 74 Ų | 74 | 37.3 Ų | 37.3 | 38% | 0.379 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61 | -40.7 | 172.6 | -69.8 | 177 | 0 | 0 | 0 | 109.9 | F338 C345 L346 | F338-I342 HydrophobicContact CD1-CD1 4.07Å; F338-I342 HydrophobicContact CE1-CD1 3.39Å; F338-I342 HydrophobicContact CE2-CD1 3.96Å; F338-I342 HydrophobicContact CZ-CD1 3.33Å; F338-I342 PolarHBondContact O-N 3.43Å; I342-C345 WeakPolarHBondContact O-CB 3.39Å; I342-C345 PolarHBondContact O-N 3.33Å; I342-L346 WeakPolarHBondContact O-CB 3.22Å; I342-L346 PolarHBondContact O-N 3.22Å |
| 343 | A | 79.5 | Confident | 76.1 | Confident | 3 Ų | 3 | 34.8 Ų | 34.8 | 3% | 0.025 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.7 | -43.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P316 S317 I320 I339 Y340 L341 C345 L346 G347 | P316-A343 HydrophobicContact CB-CB 4.04Å; S317-A343 VanDerWaalsContact OG-C 3.22Å; S317-A343 PolarHBondContact OG-O 3.42Å; I320-A343 HydrophobicContact CD1-CB 3.6Å; I339-A343 WeakPolarHBondContact O-CB 3.22Å; I339-A343 PolarHBondContact O-N 3.26Å; Y340-A343 WeakPolarHBondContact O-CB 3.18Å; Y340-A343 PolarHBondContact O-N 3.06Å; Y340-A343 VanDerWaalsContact O-N 3.17Å; L341-A343 PolarHBondContact O-N 3.33Å; A343-C345 VanDerWaalsContact C-N 3.3Å; A343-C345 PolarHBondContact O-N 3.26Å; A343-L346 CarbonylContact O-C 3.57Å; A343-L346 WeakPolarHBondContact O-CA 3.13Å; A343-L346 WeakPolarHBondContact O-CB 3.24Å; A343-L346 PolarHBondContact O-N 3.08Å; A343-G347 PolarHBondContact O-N 3.42Å |
| 344 | L | 76.6 | Confident | 77.7 | Confident | 12 Ų | 12 | 31.2 Ų | 31.2 | 6% | 0.063 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.2 | -42.3 | 172.1 | -70.6 | -172.9 | 0 | 0 | 0 | 112.8 | F173 Y174 Y340 L341 L346 G347 S348 | F173-L344 HydrophobicContact CE1-CB 4.5Å; F173-L344 HydrophobicContact CE1-CD1 4.32Å; F173-L344 HydrophobicContact CE1-CD2 4.19Å; F173-L344 HydrophobicContact CZ-CB 4.26Å; Y174-L344 HydrophobicContact CE1-CD2 4.43Å; Y340-L344 HydrophobicContact CD1-CD1 4.29Å; Y340-L344 HydrophobicContact CD2-CG 4.31Å; Y340-L344 HydrophobicContact CE1-CD1 3.57Å; Y340-L344 HydrophobicContact CE1-CG 4.19Å; Y340-L344 HydrophobicContact CE2-CD1 4.03Å; Y340-L344 HydrophobicContact CE2-CD2 3.85Å; Y340-L344 HydrophobicContact CE2-CG 3.83Å; Y340-L344 VanDerWaalsContact CZ-CD1 3.45Å; Y340-L344 PolarHBondContact O-N 3.03Å; L341-L344 HydrophobicContact CD2-CD1 4.42Å; L341-L344 PolarHBondContact O-N 3.08Å; L344-L346 VanDerWaalsContact C-N 3.33Å; L344-L346 PolarHBondContact O-N 2.83Å; L344-G347 PolarHBondContact O-N 2.79Å; L344-S348 PolarHBondContact O-N 2.9Å |
| 345 | C | 81.4 | Confident | 79 | Confident | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.027 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.1 | -43 | 174.1 | -68.3 | 0 | 0 | 0 | 0 | 111.3 | I100 L341 I342 A343 G347 S348 L349 | I100-C345 HydrophobicContact CD1-CB 3.9Å; I100-C345 HydrophobicContact CG2-CB 4.09Å; L341-C345 PolarHBondContact O-N 3.18Å; L341-C345 PolarHBondContact O-SG 2.82Å; I342-C345 WeakPolarHBondContact O-CB 3.39Å; I342-C345 PolarHBondContact O-N 3.33Å; A343-C345 VanDerWaalsContact C-N 3.3Å; A343-C345 PolarHBondContact O-N 3.26Å; C345-G347 VanDerWaalsContact C-N 3.29Å; C345-G347 PolarHBondContact O-N 3.07Å; C345-S348 PolarHBondContact O-N 2.5Å; C345-S348 PolarHBondContact O-OG 3.47Å; C345-L349 PolarHBondContact O-N 3.15Å |
| 346 | L | 82.1 | Confident | 80.3 | Confident | 54 Ų | 54 | 32.8 Ų | 32.8 | 28% | 0.283 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -63.8 | -35.5 | 176.1 | -169.7 | 60.7 | 0 | 0 | 0 | 112.3 | I312 C313 P316 I342 A343 L344 L349 | I312-L346 HydrophobicContact CG2-CD1 4.24Å; I312-L346 HydrophobicContact CG2-CD2 3.98Å; I312-L346 HydrophobicContact CG2-CG 4.37Å; I312-L346 WeakPolarHBondContact O-CD2 3.22Å; C313-L346 PolarHBondContact SG-O 3.39Å; P316-L346 HydrophobicContact CG-CD2 4.2Å; I342-L346 WeakPolarHBondContact O-CB 3.22Å; I342-L346 PolarHBondContact O-N 3.22Å; A343-L346 CarbonylContact O-C 3.57Å; A343-L346 WeakPolarHBondContact O-CA 3.13Å; A343-L346 WeakPolarHBondContact O-CB 3.24Å; A343-L346 PolarHBondContact O-N 3.08Å; L344-L346 VanDerWaalsContact C-N 3.33Å; L344-L346 PolarHBondContact O-N 2.83Å; L346-L349 HydrophobicContact CD1-CD1 4.14Å; L346-L349 PolarHBondContact O-N 3.32Å |
| 347 | G | 83.9 | Confident | 81.2 | Confident | 9 Ų | 9 | 30.8 Ų | 30.8 | 9% | 0.093 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64 | -41.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | C313 A343 L344 C345 L349 N350 | C313-G347 WeakPolarHBondContact O-CA 3.48Å; C313-G347 PolarHBondContact O-N 3.29Å; A343-G347 PolarHBondContact O-N 3.42Å; L344-G347 PolarHBondContact O-N 2.79Å; C345-G347 VanDerWaalsContact C-N 3.29Å; C345-G347 PolarHBondContact O-N 3.07Å; G347-L349 PolarHBondContact O-N 3.01Å; G347-N350 VanDerWaalsContact O-CB 3.26Å; G347-N350 WeakPolarHBondContact O-CB 3.32Å; G347-N350 PolarHBondContact O-N 3.47Å |
| 348 | S | 86.1 | Confident | 82.1 | Confident | 5 Ų | 5 | 29.7 Ų | 29.7 | 4% | 0.035 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.9 | -26.5 | 179.1 | 72.6 | 0 | 0 | 0 | 0 | 114 | L344 C345 N350 S351 | L344-S348 PolarHBondContact O-N 2.9Å; C345-S348 PolarHBondContact O-N 2.5Å; C345-S348 PolarHBondContact O-OG 3.47Å; S348-N350 PolarHBondContact O-N 3.09Å; S348-S351 PolarHBondContact O-N 3.32Å |
| 349 | L | 88.6 | Confident | 82.9 | Confident | 50 Ų | 50 | 27.9 Ų | 27.9 | 26% | 0.262 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -21.5 | 176 | -70.3 | 169.2 | 0 | 0 | 0 | 112.6 | L103 V104 C345 L346 G347 S351 C352 L353 | L103-L349 HydrophobicContact CD2-CD2 3.78Å; V104-L349 HydrophobicContact CG2-CD2 3.83Å; V104-L349 HydrophobicContact CG2-CG 4.42Å; C345-L349 PolarHBondContact O-N 3.15Å; L346-L349 HydrophobicContact CD1-CD1 4.14Å; L346-L349 PolarHBondContact O-N 3.32Å; G347-L349 PolarHBondContact O-N 3.01Å; L349-S351 VanDerWaalsContact C-N 3.25Å; L349-S351 PolarHBondContact O-N 3.3Å; L349-C352 WeakPolarHBondContact O-CB 3.47Å; L349-C352 PolarHBondContact O-N 3.32Å; L349-L353 WeakPolarHBondContact O-CG 3.17Å; L349-L353 PolarHBondContact O-N 3.48Å |
| 350 | N | 89 | Confident | 83.5 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.011 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.5 | -40.4 | 178.1 | -172.5 | 78.6 | 0 | 0 | 0 | 111.9 | C313 F314 G347 S348 C352 L353 D354 | C313-N350 HydrophobicContact CB-CB 4.02Å; F314-N350 HydrophobicContact CE1-CB 4.37Å; F314-N350 HydrophobicContact CE2-CB 3.9Å; F314-N350 WeakPolarHBondContact CE2-OD1 3.21Å; F314-N350 HydrophobicContact CZ-CB 3.63Å; F314-N350 VanDerWaalsContact CZ-ND2 3.3Å; F314-N350 WeakPolarHBondContact CZ-ND2 3.48Å; G347-N350 VanDerWaalsContact O-CB 3.26Å; G347-N350 WeakPolarHBondContact O-CB 3.32Å; G347-N350 PolarHBondContact O-N 3.47Å; S348-N350 PolarHBondContact O-N 3.09Å; N350-C352 PolarHBondContact O-N 3.06Å; N350-C352 VanDerWaalsContact O-N 3.12Å; N350-L353 WeakPolarHBondContact O-CA 3.49Å; N350-L353 PolarHBondContact O-N 3.38Å; N350-D354 PolarHBondContact ND2-OD2 3.48Å; N350-D354 PolarHBondContact O-N 3.41Å |
| 351 | S | 90.9 | Very high | 83.9 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.007 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.4 | -20.4 | 177.9 | -62 | 0 | 0 | 0 | 0 | 113.8 | N112 D139 F142 N176 S348 L349 | N112-S351 PolarHBondContact ND2-O 2.91Å; D139-S351 WeakPolarHBondContact OD1-CA 3.49Å; D139-S351 WeakPolarHBondContact OD1-CB 3.39Å; D139-S351 PolarHBondContact OD1-OG 2.79Å; F142-S351 WeakPolarHBondContact CD1-OG 3.34Å; N176-S351 PolarHBondContact ND2-OG 3.43Å; S348-S351 PolarHBondContact O-N 3.32Å; L349-S351 VanDerWaalsContact C-N 3.25Å; L349-S351 PolarHBondContact O-N 3.3Å |
| 352 | C | 91.8 | Very high | 84.2 | Confident | 8 Ų | 8 | 27.7 Ų | 27.7 | 5% | 0.054 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -83.4 | -30.4 | 170.7 | -64.9 | 0 | 0 | 0 | 0 | 112.3 | V104 V107 L349 N350 F356 | V104-C352 VanDerWaalsContact CA-SG 3.59Å; V107-C352 HydrophobicContact CG1-CB 4.08Å; L349-C352 WeakPolarHBondContact O-CB 3.47Å; L349-C352 PolarHBondContact O-N 3.32Å; N350-C352 PolarHBondContact O-N 3.06Å; N350-C352 VanDerWaalsContact O-N 3.12Å; C352-F356 WeakPolarHBondContact O-CD2 3.38Å; C352-F356 WeakPolarHBondContact O-CE2 3.45Å |
| 353 | L | 89.6 | Confident | 84.4 | Confident | 56 Ų | 56 | 30.9 Ų | 30.9 | 29% | 0.293 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -84.1 | -29.6 | -173.3 | -63.5 | 174.7 | 0 | 0 | 0 | 112.7 | I309 L349 N350 F356 L357 | I309-L353 HydrophobicContact CG2-CB 4.23Å; I309-L353 HydrophobicContact CG2-CD1 3.49Å; I309-L353 VanDerWaalsContact CG2-CD1 3.49Å; I309-L353 HydrophobicContact CG2-CG 4.48Å; L349-L353 WeakPolarHBondContact O-CG 3.17Å; L349-L353 PolarHBondContact O-N 3.48Å; N350-L353 WeakPolarHBondContact O-CA 3.49Å; N350-L353 PolarHBondContact O-N 3.38Å; L353-F356 WeakPolarHBondContact O-CA 3.38Å; L353-F356 WeakPolarHBondContact O-CB 3.13Å; L353-F356 PolarHBondContact O-N 3.45Å; L353-L357 WeakPolarHBondContact O-CG 3.21Å; L353-L357 PolarHBondContact O-N 3.41Å |
| 354 | D | 89.7 | Confident | 84.1 | Confident | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.1 | -44.2 | -177.5 | -77.4 | -29.3 | 0 | 0 | 0 | 114.4 | L135 N350 F356 L357 Y358 | L135-D354 HydrophobicContact CD2-CB 4.04Å; L135-D354 HydrophobicContact CG-CB 4.39Å; N350-D354 PolarHBondContact ND2-OD2 3.48Å; N350-D354 PolarHBondContact O-N 3.41Å; D354-F356 PolarHBondContact O-N 2.93Å; D354-L357 PolarHBondContact O-N 2.79Å; D354-Y358 PolarHBondContact O-N 2.93Å |
| 355 | P | 87.9 | Confident | 83.6 | Confident | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.019 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -53.1 | -48.1 | 169 | -33.1 | 39.8 | 0 | 0 | 0 | 113.4 | A111 N112 T115 L357 Y358 F359 | A111-P355 HydrophobicContact CB-CB 3.94Å; A111-P355 HydrophobicContact CB-CG 3.78Å; N112-P355 WeakPolarHBondContact OD1-CG 3.12Å; T115-P355 WeakPolarHBondContact OG1-CB 3.49Å; P355-L357 VanDerWaalsContact C-N 3.32Å; P355-L357 PolarHBondContact O-N 2.84Å; P355-Y358 WeakPolarHBondContact O-CB 3.49Å; P355-Y358 PolarHBondContact O-N 3.33Å; P355-F359 WeakPolarHBondContact O-CD2 3.36Å; P355-F359 PolarHBondContact O-N 3.42Å |
| 356 | F | 85.9 | Confident | 82.7 | Confident | 124 Ų | 124 | 37.3 Ų | 37.3 | 54% | 0.544 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.3 | -39.8 | 179.7 | -63.5 | -88.1 | 0 | 0 | 0 | 111.6 | C352 L353 D354 F359 L360 | C352-F356 WeakPolarHBondContact O-CD2 3.38Å; C352-F356 WeakPolarHBondContact O-CE2 3.45Å; L353-F356 WeakPolarHBondContact O-CA 3.38Å; L353-F356 WeakPolarHBondContact O-CB 3.13Å; L353-F356 PolarHBondContact O-N 3.45Å; D354-F356 PolarHBondContact O-N 2.93Å; F356-F359 PolarHBondContact O-N 2.86Å; F356-L360 WeakPolarHBondContact O-CB 3.02Å; F356-L360 PolarHBondContact O-N 2.93Å |
| 357 | L | 84.6 | Confident | 81.5 | Confident | 10 Ų | 10 | 39.5 Ų | 39.5 | 5% | 0.052 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.7 | -43.4 | 175.4 | -64.9 | -176.6 | 0 | 0 | 0 | 111.4 | I306 I309 L353 D354 P355 L360 M361 | I306-L357 HydrophobicContact CG1-CD1 4.19Å; I306-L357 HydrophobicContact CG1-CD2 3.6Å; I306-L357 HydrophobicContact CG1-CG 4.3Å; I306-L357 HydrophobicContact CG2-CD1 4.26Å; I309-L357 HydrophobicContact CD1-CD2 3.84Å; L353-L357 WeakPolarHBondContact O-CG 3.21Å; L353-L357 PolarHBondContact O-N 3.41Å; D354-L357 PolarHBondContact O-N 2.79Å; P355-L357 VanDerWaalsContact C-N 3.32Å; P355-L357 PolarHBondContact O-N 2.84Å; L357-L360 PolarHBondContact O-N 3.29Å; L357-M361 WeakPolarHBondContact O-CB 3.29Å; L357-M361 VanDerWaalsContact O-CG 3.26Å; L357-M361 WeakPolarHBondContact O-CG 2.99Å; L357-M361 PolarHBondContact O-N 2.96Å |
| 358 | Y | 85.1 | Confident | 80.1 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.2 | -49.1 | 172.9 | 170 | -100.1 | 0 | 0 | 0 | 111.5 | T115 L119 Y132 D354 P355 L360 M361 S362 | T115-Y358 HydrophobicContact CG2-CD1 4.19Å; T115-Y358 HydrophobicContact CG2-CG 4.47Å; L119-Y358 HydrophobicContact CD2-CE2 3.63Å; L119-Y358 WeakPolarHBondContact CD2-OH 3.22Å; L119-Y358 HydrophobicContact CG-CE2 4.48Å; Y132-Y358 AromaticContact CD1-CD2 3.8Å; Y132-Y358 HydrophobicContact CD1-CD2 3.8Å; Y132-Y358 HydrophobicContact CD1-CG 4.21Å; Y132-Y358 AromaticContact CD2-CD2 3.76Å; Y132-Y358 HydrophobicContact CD2-CD2 3.76Å; Y132-Y358 HydrophobicContact CD2-CE2 4.29Å; Y132-Y358 HydrophobicContact CE1-CD2 4.12Å; Y132-Y358 HydrophobicContact CE1-CG 4.45Å; Y132-Y358 HydrophobicContact CE2-CD2 4.08Å; Y132-Y358 AromaticContact CG-CD2 3.6Å; Y132-Y358 HydrophobicContact CG-CD2 3.6Å; Y132-Y358 HydrophobicContact CG-CE2 4.3Å; Y132-Y358 HydrophobicContact CG-CG 4.41Å; D354-Y358 PolarHBondContact O-N 2.93Å; P355-Y358 WeakPolarHBondContact O-CB 3.49Å; P355-Y358 PolarHBondContact O-N 3.33Å; Y358-L360 PolarHBondContact O-N 3.19Å; Y358-M361 PolarHBondContact O-N 2.86Å; Y358-S362 WeakPolarHBondContact O-CB 3.38Å; Y358-S362 PolarHBondContact O-N 3.34Å |
| 359 | F | 83.8 | Confident | 78.6 | Confident | 71 Ų | 71 | 43.4 Ų | 43.4 | 31% | 0.311 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.9 | -45.5 | 179.6 | -81.3 | -66.6 | 0 | 0 | 0 | 112.6 | V114 M118 P355 F356 S362 K363 | V114-F359 HydrophobicContact CG1-CZ 4.28Å; M118-F359 HydrophobicContact CE-CE1 3.82Å; M118-F359 HydrophobicContact CE-CZ 3.78Å; M118-F359 HydrophobicContact SD-CE1 3.29Å; M118-F359 WeakPolarHBondContact SD-CE1 3.28Å; M118-F359 HydrophobicContact SD-CZ 3.45Å; M118-F359 WeakPolarHBondContact SD-CZ 3.25Å; P355-F359 WeakPolarHBondContact O-CD2 3.36Å; P355-F359 PolarHBondContact O-N 3.42Å; F356-F359 PolarHBondContact O-N 2.86Å; F359-S362 WeakPolarHBondContact O-CB 3.5Å; F359-S362 PolarHBondContact O-N 3.07Å; F359-K363 WeakPolarHBondContact O-CB 3.33Å; F359-K363 PolarHBondContact O-N 3.38Å |
| 360 | L | 83.3 | Confident | 76.7 | Confident | 59 Ų | 59 | 43.7 Ų | 43.7 | 31% | 0.309 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57.1 | -53.4 | 176.2 | -178.3 | 62.2 | 0 | 0 | 0 | 109.8 | A302 L305 F356 L357 Y358 S362 K363 I364 | A302-L360 HydrophobicContact CB-CD2 3.86Å; A302-L360 HydrophobicContact CB-CG 4.18Å; L305-L360 HydrophobicContact CD2-CD2 4.02Å; F356-L360 WeakPolarHBondContact O-CB 3.02Å; F356-L360 PolarHBondContact O-N 2.93Å; L357-L360 PolarHBondContact O-N 3.29Å; Y358-L360 PolarHBondContact O-N 3.19Å; L360-S362 VanDerWaalsContact C-N 3.31Å; L360-S362 PolarHBondContact O-N 3.35Å; L360-K363 PolarHBondContact O-N 3Å; L360-I364 HydrophobicContact CD1-CD1 3.97Å; L360-I364 HydrophobicContact CD1-CG1 4.37Å; L360-I364 HydrophobicContact CG-CD1 3.91Å; L360-I364 WeakPolarHBondContact O-CG1 3.3Å; L360-I364 PolarHBondContact O-N 3.09Å |
| 361 | M | 78.3 | Confident | 74.4 | Confident | 24 Ų | 24 | 50.8 Ų | 50.8 | 12% | 0.118 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.1 | -37.2 | -179.7 | -69.9 | -54.9 | -58.4 | 0 | 0 | 113.2 | I306 L357 Y358 R365 | I306-M361 HydrophobicContact CD1-CG 3.86Å; I306-M361 HydrophobicContact CD1-SD 3.69Å; L357-M361 WeakPolarHBondContact O-CB 3.29Å; L357-M361 VanDerWaalsContact O-CG 3.26Å; L357-M361 WeakPolarHBondContact O-CG 2.99Å; L357-M361 PolarHBondContact O-N 2.96Å; Y358-M361 PolarHBondContact O-N 2.86Å; M361-R365 PolarHBondContact O-N 2.7Å; M361-R365 VanDerWaalsContact O-N 3.11Å |
| 362 | S | 77.9 | Confident | 72.1 | Confident | 5 Ų | 5 | 57 Ų | 57 | 4% | 0.035 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64 | -42.5 | 177.1 | -179.8 | 0 | 0 | 0 | 0 | 112.2 | R124 Y358 F359 L360 N366 | R124-S362 PolarHBondContact NH2-O 3.32Å; R124-S362 PolarHBondContact NH2-OG 2.9Å; Y358-S362 WeakPolarHBondContact O-CB 3.38Å; Y358-S362 PolarHBondContact O-N 3.34Å; F359-S362 WeakPolarHBondContact O-CB 3.5Å; F359-S362 PolarHBondContact O-N 3.07Å; L360-S362 VanDerWaalsContact C-N 3.31Å; L360-S362 PolarHBondContact O-N 3.35Å; S362-N366 PolarHBondContact O-N 2.81Å |
| 363 | K | 77.3 | Confident | 69.6 | Low | 141 Ų | 141 | 62.4 Ų | 62.4 | 61% | 0.613 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -68.7 | -45.2 | 178.2 | -173.8 | 174.3 | -177.8 | 177.9 | 0 | 111.4 | F359 L360 R365 N366 H367 | F359-K363 WeakPolarHBondContact O-CB 3.33Å; F359-K363 PolarHBondContact O-N 3.38Å; L360-K363 PolarHBondContact O-N 3Å; K363-R365 PolarHBondContact O-N 3.36Å; K363-N366 PolarHBondContact O-N 3.03Å; K363-H367 PolarHBondContact O-CD2 3.19Å; K363-H367 PolarHBondContact O-N 3.23Å |
| 364 | I | 71.5 | Confident | 66.9 | Low | 21 Ų | 21 | 71.3 Ų | 71.3 | 11% | 0.108 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.2 | -43 | -177.9 | -52.7 | 163.6 | 0 | 0 | 0 | 109.9 | Y299 A302 L360 N366 H367 S368 | Y299-I364 HydrophobicContact CD1-CB 4.28Å; Y299-I364 HydrophobicContact CD1-CG2 3.54Å; Y299-I364 HydrophobicContact CD2-CG2 3.35Å; Y299-I364 HydrophobicContact CE1-CB 3.86Å; Y299-I364 HydrophobicContact CE1-CG2 3.31Å; Y299-I364 HydrophobicContact CE2-CB 4.38Å; Y299-I364 HydrophobicContact CE2-CG2 3.14Å; Y299-I364 HydrophobicContact CG-CG2 3.58Å; Y299-I364 PolarHBondContact OH-O 3.15Å; A302-I364 HydrophobicContact CB-CD1 3.32Å; L360-I364 HydrophobicContact CD1-CD1 3.97Å; L360-I364 HydrophobicContact CD1-CG1 4.37Å; L360-I364 HydrophobicContact CG-CD1 3.91Å; L360-I364 WeakPolarHBondContact O-CG1 3.3Å; L360-I364 PolarHBondContact O-N 3.09Å; I364-N366 VanDerWaalsContact C-N 3.29Å; I364-N366 PolarHBondContact O-N 3.17Å; I364-H367 WeakPolarHBondContact O-CB 3.39Å; I364-H367 PolarHBondContact O-N 3.21Å; I364-H367 VanDerWaalsContact O-N 3.08Å; I364-S368 PolarHBondContact O-N 3.08Å; I364-S368 VanDerWaalsContact O-N 3.11Å |
| 365 | R | 66.8 | Low | 65.8 | Low | 73 Ų | 73 | 74.7 Ų | 74.7 | 28% | 0.275 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -50.6 | -44.7 | 173.9 | -177.4 | 167 | 58.6 | -170.3 | -11.1 | 113.5 | Y299 M361 K363 H367 S368 T369 | Y299-R365 WeakPolarHBondContact OH-CA 3.27Å; Y299-R365 PolarHBondContact OH-N 3.24Å; M361-R365 PolarHBondContact O-N 2.7Å; M361-R365 VanDerWaalsContact O-N 3.11Å; K363-R365 PolarHBondContact O-N 3.36Å; R365-H367 VanDerWaalsContact C-N 3.34Å; R365-H367 PolarHBondContact O-N 2.74Å; R365-S368 PolarHBondContact O-N 3.46Å; R365-T369 PolarHBondContact O-N 2.99Å; R365-T369 VanDerWaalsContact O-N 3.17Å; R365-T369 PolarHBondContact O-OG1 3.32Å |
| 366 | N | 61.9 | Low | 64.6 | Low | 60 Ų | 60 | 78.4 Ų | 78.4 | 32% | 0.321 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.2 | -39.5 | -178.6 | -68.6 | -8.9 | 0 | 0 | 0 | 112 | R122 R124 S362 K363 I364 T369 A370 | R122-N366 PolarHBondContact NH2-ND2 3.42Å; R122-N366 VanDerWaalsContact NH2-ND2 3.1Å; R124-N366 VanDerWaalsContact CZ-OD1 3.28Å; R124-N366 PolarHBondContact NH1-OD1 3.46Å; R124-N366 PolarHBondContact NH2-ND2 3.29Å; R124-N366 PolarHBondContact NH2-OD1 2.97Å; S362-N366 PolarHBondContact O-N 2.81Å; K363-N366 PolarHBondContact O-N 3.03Å; I364-N366 VanDerWaalsContact C-N 3.29Å; I364-N366 PolarHBondContact O-N 3.17Å; N366-T369 WeakPolarHBondContact CA-OG1 3.27Å; N366-T369 PolarHBondContact O-N 2.8Å; N366-T369 PolarHBondContact O-OG1 3.01Å; N366-A370 PolarHBondContact O-N 3.35Å |
| 367 | H | 58.2 | Low | 63.4 | Low | 99 Ų | 99 | 75.9 Ų | 75.9 | 46% | 0.458 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 175.4 | -83.5 | -77.3 | 0 | 0 | 0 | 111.5 | K363 I364 R365 T369 A370 Y371 | K363-H367 PolarHBondContact O-CD2 3.19Å; K363-H367 PolarHBondContact O-N 3.23Å; I364-H367 WeakPolarHBondContact O-CB 3.39Å; I364-H367 PolarHBondContact O-N 3.21Å; I364-H367 VanDerWaalsContact O-N 3.08Å; R365-H367 VanDerWaalsContact C-N 3.34Å; R365-H367 PolarHBondContact O-N 2.74Å; H367-T369 PolarHBondContact O-N 3.04Å; H367-A370 WeakPolarHBondContact O-CB 3.37Å; H367-A370 PolarHBondContact O-N 3.05Å; H367-Y371 HydrophobicContact CB-CE2 4.32Å; H367-Y371 WeakPolarHBondContact O-CD2 2.97Å; H367-Y371 PolarHBondContact O-N 3.35Å |
| 368 | S | 54.3 | Low | 62.2 | Low | 18 Ų | 18 | 79.8 Ų | 79.8 | 13% | 0.126 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 178.3 | 173.6 | 0 | 0 | 0 | 0 | 113.7 | W296 Y299 I364 R365 A370 Y371 L372 | W296-S368 WeakPolarHBondContact CH2-OG 3.44Å; Y299-S368 WeakPolarHBondContact OH-CB 3.16Å; I364-S368 PolarHBondContact O-N 3.08Å; I364-S368 VanDerWaalsContact O-N 3.11Å; R365-S368 PolarHBondContact O-N 3.46Å; S368-A370 VanDerWaalsContact C-N 3.27Å; S368-A370 PolarHBondContact O-N 2.93Å; S368-Y371 PolarHBondContact O-N 3.24Å; S368-Y371 VanDerWaalsContact O-N 3.1Å; S368-L372 PolarHBondContact O-N 3.11Å; S368-L372 VanDerWaalsContact O-N 3.16Å |
| 369 | T | 54.1 | Low | 60.7 | Low | 78 Ų | 78 | 84.5 Ų | 84.5 | 48% | 0.479 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.4 | -35.8 | 175 | 24 | 0 | 0 | 0 | 0 | 112.6 | R365 N366 H367 Y371 L372 T373 | R365-T369 PolarHBondContact O-N 2.99Å; R365-T369 VanDerWaalsContact O-N 3.17Å; R365-T369 PolarHBondContact O-OG1 3.32Å; N366-T369 WeakPolarHBondContact CA-OG1 3.27Å; N366-T369 PolarHBondContact O-N 2.8Å; N366-T369 PolarHBondContact O-OG1 3.01Å; H367-T369 PolarHBondContact O-N 3.04Å; T369-Y371 VanDerWaalsContact C-N 3.25Å; T369-Y371 PolarHBondContact O-N 3.4Å; T369-L372 PolarHBondContact O-N 2.76Å; T369-T373 PolarHBondContact O-N 2.92Å; T369-T373 PolarHBondContact O-OG1 3.36Å |
| 370 | A | 48.1 | Very low | 59.2 | Low | 56 Ų | 56 | 85.4 Ų | 85.4 | 46% | 0.463 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.4 | -25.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N366 H367 S368 T373 | N366-A370 PolarHBondContact O-N 3.35Å; H367-A370 WeakPolarHBondContact O-CB 3.37Å; H367-A370 PolarHBondContact O-N 3.05Å; S368-A370 VanDerWaalsContact C-N 3.27Å; S368-A370 PolarHBondContact O-N 2.93Å; A370-T373 PolarHBondContact O-OG1 3.09Å |
| 371 | Y | 41.9 | Very low | 57.5 | Low | 152 Ų | 152 | 87.3 Ų | 87.3 | 60% | 0.596 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -86.6 | -17.1 | 175.5 | -69.9 | -68 | 0 | 0 | 0 | 114 | H367 S368 T369 | H367-Y371 HydrophobicContact CB-CE2 4.32Å; H367-Y371 WeakPolarHBondContact O-CD2 2.97Å; H367-Y371 PolarHBondContact O-N 3.35Å; S368-Y371 PolarHBondContact O-N 3.24Å; S368-Y371 VanDerWaalsContact O-N 3.1Å; T369-Y371 VanDerWaalsContact C-N 3.25Å; T369-Y371 PolarHBondContact O-N 3.4Å |
| 372 | L | 42 | Very low | 55.9 | Low | 131 Ų | 131 | 92.2 Ų | 92.2 | 69% | 0.686 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -89.6 | -10.3 | 175.8 | -72.3 | 167.9 | 0 | 0 | 0 | 113 | S368 T369 | S368-L372 PolarHBondContact O-N 3.11Å; S368-L372 VanDerWaalsContact O-N 3.16Å; T369-L372 PolarHBondContact O-N 2.76Å |
| 373 | T | 40.4 | Very low | 54.1 | Low | 121 Ų | 121 | 99.4 Ų | 99.4 | 74% | 0.742 | 49% | 0.494 | S | S | * | . | trans | -102 | 6.1 | 176.1 | 49.5 | 0 | 0 | 0 | 0 | 113.6 | T369 A370 | T369-T373 PolarHBondContact O-N 2.92Å; T369-T373 PolarHBondContact O-OG1 3.36Å; A370-T373 PolarHBondContact O-OG1 3.09Å | ||
| 374 | K | 32.2 | Very low | 51.9 | Low | 243 Ų | 243 | 95.6 Ų | 95.6 | 100% | 1.057 | 48% | 0.483 | S | S | * | . | trans | -114.1 | 0 | 166.3 | -94.4 | -171.2 | 174.5 | -174.9 | 0 | 107.9 |
Retrieved 374 of 374 residues in 128.8 ms
(Link to these results)