| 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 | 45.5 | Very low | 38.4 | Very low | 243 Ų | 243 | 143.3 Ų | 143.3 | 100% | 1.197 | 82% | 0.819 | S | S | * | * | 0 | 106 | 0 | -72 | 179.6 | 89.4 | 0 | 0 | 109.4 | |||||
| 2 | S | 37.7 | Very low | 38.3 | Very low | 119 Ų | 119 | 143.5 Ų | 143.5 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | 165 | 107.9 | 148.5 | 52.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 3 | M | 32.8 | Very low | 38.1 | Very low | 190 Ų | 190 | 149.8 Ų | 149.8 | 94% | 0.936 | 82% | 0.817 | S | S | * | * | trans | -157.9 | 31.3 | 163.3 | -94.3 | -122 | 172 | 0 | 0 | 111.2 | ||||
| 4 | F | 37.3 | Very low | 37.8 | Very low | 217 Ų | 217 | 148.1 Ų | 148.1 | 95% | 0.952 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -108 | 11.7 | 179 | -97.2 | -77.7 | 0 | 0 | 0 | 114.4 | ||
| 5 | S | 48.2 | Very low | 37.7 | Very low | 94 Ų | 94 | 154.2 Ų | 154.2 | 66% | 0.657 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -114.7 | 0.9 | -172.8 | -157.8 | 0 | 0 | 0 | 0 | 115.9 | ||
| 6 | A | 36.5 | Very low | 37.5 | Very low | 79 Ų | 79 | 148.4 Ų | 148.4 | 65% | 0.653 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -94 | -31.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 7 | C | 35.3 | Very low | 37.2 | Very low | 123 Ų | 123 | 149.8 Ų | 149.8 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | G | 310 helix | trans | -82 | -18.6 | -174.1 | -79.6 | 0 | 0 | 0 | 0 | 115.3 | ||
| 8 | A | 37.5 | Very low | 36.8 | Very low | 82 Ų | 82 | 151.3 Ų | 151.3 | 68% | 0.678 | 83% | 0.825 | S | S | * | * | G | 310 helix | trans | -84.5 | -12.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 9 | K | 37.5 | Very low | 36.5 | Very low | 173 Ų | 173 | 149.2 Ų | 149.2 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | G | 310 helix | trans | -99.3 | 2.3 | -173.5 | -84.4 | -178.1 | 176.4 | 175.6 | 0 | 115.8 | ||
| 10 | L | 38.4 | Very low | 36.1 | Very low | 138 Ų | 138 | 147.3 Ų | 147.3 | 72% | 0.723 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -103 | -16.5 | 178.4 | -94.1 | 148.4 | 0 | 0 | 0 | 114.7 | L12 | L10-L12 VanDerWaalsContact C-N 3.26Å; L10-L12 PolarHBondContact O-N 3.49Å |
| 11 | C | 35.9 | Very low | 35.8 | Very low | 118 Ų | 118 | 150.3 Ų | 150.3 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -0.3 | 177.3 | -75.8 | 0 | 0 | 0 | 0 | 115.3 | ||
| 12 | L | 36.8 | Very low | 34.9 | Very low | 146 Ų | 146 | 146.4 Ų | 146.4 | 76% | 0.764 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 1.4 | -179 | -95.1 | 149.3 | 0 | 0 | 0 | 114.5 | L10 | L10-L12 VanDerWaalsContact C-N 3.26Å; L10-L12 PolarHBondContact O-N 3.49Å |
| 13 | R | 35.6 | Very low | 34.4 | Very low | 225 Ų | 225 | 145.8 Ų | 145.8 | 85% | 0.849 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -100.7 | 1.6 | -175.1 | -109.4 | -177.7 | -178.2 | -173.6 | 0.5 | 116.9 | ||
| 14 | C | 34.5 | Very low | 34.2 | Very low | 127 Ų | 127 | 143 Ų | 143 | 86% | 0.858 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -116.8 | 28 | 177.5 | -63.7 | 0 | 0 | 0 | 0 | 114 | ||
| 15 | R | 36.1 | Very low | 33.6 | Very low | 239 Ų | 239 | 140.4 Ų | 140.4 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -110.7 | 17.5 | 176.4 | -102.8 | -171.5 | -176.9 | -160.8 | 2.3 | 114.8 | ||||
| 16 | G | 34.7 | Very low | 32.6 | Very low | 62 Ų | 62 | 143.6 Ų | 143.6 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | trans | -107.5 | 121.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 17 | L | 31.6 | Very low | 32 | Very low | 171 Ų | 171 | 147.6 Ų | 147.6 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 95.8 | 82.8 | 176.7 | -53.3 | 164.8 | 0 | 0 | 0 | 115 | ||
| 18 | L | 30.9 | Very low | 31.5 | Very low | 177 Ų | 177 | 151.9 Ų | 151.9 | 93% | 0.927 | 80% | 0.8 | S | S | * | * | 173.4 | 123.4 | 108.4 | -85.3 | 159.4 | 0 | 0 | 0 | 109.9 | |||||
| 19 | S | 30.1 | Very low | 30.8 | Very low | 112 Ų | 112 | 153.6 Ų | 153.6 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | -75.5 | 154.9 | 177.3 | -172.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 20 | P | 29.4 | Very low | 30.2 | Very low | 111 Ų | 111 | 153 Ų | 153 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | trans | -85.6 | 143.5 | -170.5 | 34.2 | -30.3 | 0 | 0 | 0 | 112 | ||||
| 21 | K | 29 | Very low | 29.5 | Very low | 211 Ų | 211 | 151.6 Ų | 151.6 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | trans | -123.1 | 120.4 | 158.5 | -78.2 | -172.9 | 176.5 | -179.3 | 0 | 109.2 | ||||
| 22 | N | 27.3 | Very low | 29 | Very low | 161 Ų | 161 | 153.8 Ų | 153.8 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -57 | 140.8 | 170.1 | -69.1 | -25.8 | 0 | 0 | 0 | 111.5 | ||||
| 23 | S | 27.1 | Very low | 28.4 | Very low | 106 Ų | 106 | 155.4 Ų | 155.4 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | -166.6 | 122.9 | 118.9 | 71.6 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 24 | T | 28.7 | Very low | 28 | Very low | 132 Ų | 132 | 150.1 Ų | 150.1 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | -52.5 | 131.3 | 161.1 | 40.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 25 | H | 25.5 | Very low | 27.5 | Very low | 161 Ų | 161 | 150.3 Ų | 150.3 | 75% | 0.745 | 79% | 0.794 | S | S | * | * | trans | -148.7 | 101.9 | 148 | -101.6 | -78 | 0 | 0 | 0 | 109.9 | H27 | H25-H27 PolarHBondContact O-N 3.27Š| ||
| 26 | L | 26.4 | Very low | 27 | Very low | 162 Ų | 162 | 145.7 Ų | 145.7 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | trans | -72.5 | 112.1 | 162.1 | -87.8 | 148.7 | 0 | 0 | 0 | 107.7 | ||||
| 27 | H | 24.6 | Very low | 26.6 | Very low | 162 Ų | 162 | 148.8 Ų | 148.8 | 75% | 0.75 | 80% | 0.799 | S | S | * | * | trans | -98 | 97.1 | 163.9 | -90 | -61.1 | 0 | 0 | 0 | 109.7 | H25 | H25-H27 PolarHBondContact O-N 3.27Š| ||
| 28 | Y | 23.5 | Very low | 26.3 | Very low | 214 Ų | 214 | 144.1 Ų | 144.1 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | -68.9 | 118.1 | 155.2 | -116 | -98.6 | 0 | 0 | 0 | 107.7 | ||||
| 29 | V | 23.9 | Very low | 26.1 | Very low | 118 Ų | 118 | 145.5 Ų | 145.5 | 72% | 0.715 | 79% | 0.791 | S | S | * | * | trans | -95.2 | 104.4 | 169.9 | 177.6 | 0 | 0 | 0 | 0 | 108.1 | V31 | V29-V31 HydrophobicContact CG1-CG2 4.1Š| ||
| 30 | H | 23.6 | Very low | 26 | Very low | 160 Ų | 160 | 145.3 Ų | 145.3 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | -84.9 | 115.1 | 166.7 | -165.3 | 29.7 | 0 | 0 | 0 | 107.7 | Q32 | H30-Q32 PolarHBondContact O-N 3.12Š| ||
| 31 | V | 24.9 | Very low | 25.9 | Very low | 108 Ų | 108 | 146.8 Ų | 146.8 | 66% | 0.655 | 80% | 0.797 | S | S | * | * | trans | -89.5 | 103.7 | 173.6 | 178.8 | 0 | 0 | 0 | 0 | 108.1 | V29 | V29-V31 HydrophobicContact CG1-CG2 4.1Š| ||
| 32 | Q | 25.4 | Very low | 25.7 | Very low | 165 Ų | 165 | 147.8 Ų | 147.8 | 77% | 0.771 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 123.6 | 166 | -83.1 | 178 | -32.1 | 0 | 0 | 109.5 | H30 | H30-Q32 PolarHBondContact O-N 3.12Š|
| 33 | H | 25 | Very low | 25.7 | Very low | 179 Ų | 179 | 148.5 Ų | 148.5 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 121.7 | 163.2 | -73.7 | 155 | 0 | 0 | 0 | 109.1 | ||
| 34 | S | 25.4 | Very low | 25.6 | Very low | 115 Ų | 115 | 148.1 Ų | 148.1 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 127.9 | 165.5 | 50.9 | 0 | 0 | 0 | 0 | 109.5 | ||
| 35 | V | 24.9 | Very low | 25.3 | Very low | 130 Ų | 130 | 148.8 Ų | 148.8 | 79% | 0.788 | 79% | 0.793 | S | S | * | * | trans | -94.6 | 112.8 | 176.3 | 174.2 | 0 | 0 | 0 | 0 | 107.6 | V37 | V35-V37 HydrophobicContact CG1-CG2 4.38Š| ||
| 36 | T | 24.8 | Very low | 25.2 | Very low | 142 Ų | 142 | 150.6 Ų | 150.6 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | trans | -85.2 | 109.3 | 169.4 | 26.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 37 | V | 27.4 | Very low | 25.2 | Very low | 127 Ų | 127 | 152.1 Ų | 152.1 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 124.6 | 169.1 | 174.2 | 0 | 0 | 0 | 0 | 109.1 | V35 | V35-V37 HydrophobicContact CG1-CG2 4.38Š|
| 38 | G | 25.5 | Very low | 25.3 | Very low | 74 Ų | 74 | 152 Ų | 152 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 139.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 39 | K | 26.2 | Very low | 25.4 | Very low | 206 Ų | 206 | 147.5 Ų | 147.5 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 136.7 | 167.3 | -79.9 | -175 | 177.1 | 179.3 | 0 | 110.8 | ||
| 40 | S | 28 | Very low | 25.3 | Very low | 108 Ų | 108 | 154 Ų | 154 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 148.3 | 175.8 | 175.4 | 0 | 0 | 0 | 0 | 112 | ||
| 41 | T | 26.3 | Very low | 25.3 | Very low | 142 Ų | 142 | 149.9 Ų | 149.9 | 87% | 0.871 | 81% | 0.81 | S | S | * | * | trans | -151.8 | 126.4 | 155 | -6.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 42 | R | 26.3 | Very low | 25.2 | Very low | 232 Ų | 232 | 152.3 Ų | 152.3 | 88% | 0.875 | 82% | 0.819 | S | S | * | * | trans | -83 | 140.5 | 172.8 | -75.4 | 176.4 | 171.5 | 178 | -2.5 | 110.4 | ||||
| 43 | I | 27.2 | Very low | 25.4 | Very low | 176 Ų | 176 | 153.1 Ų | 153.1 | 90% | 0.903 | 82% | 0.822 | S | S | * | * | trans | -143.7 | 150.4 | 144.3 | -61 | -173.3 | 0 | 0 | 0 | 108.7 | ||||
| 44 | S | 23.5 | Very low | 25.4 | Very low | 97 Ų | 97 | 151.7 Ų | 151.7 | 68% | 0.678 | 83% | 0.827 | S | S | * | * | trans | -102.6 | 164.6 | -152.7 | 52.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 45 | N | 24.2 | Very low | 25.5 | Very low | 147 Ų | 147 | 150.9 Ų | 150.9 | 79% | 0.786 | 83% | 0.827 | S | S | * | * | trans | 62.3 | 146.2 | 151.3 | -79 | -11.6 | 0 | 0 | 0 | 119.3 | ||||
| 46 | R | 23 | Very low | 25.4 | Very low | 198 Ų | 198 | 149.2 Ų | 149.2 | 75% | 0.747 | 83% | 0.827 | S | S | * | * | cis | -177 | 142.7 | -7.6 | 176.1 | -171.5 | -102.2 | -155.8 | -3.8 | 104 | ||||
| 47 | F | 25.5 | Very low | 25.5 | Very low | 195 Ų | 195 | 151.7 Ų | 151.7 | 86% | 0.855 | 83% | 0.829 | S | S | * | * | trans | 163.5 | 143.5 | 136.9 | -91.5 | -71.4 | 0 | 0 | 0 | 112.6 | ||||
| 48 | L | 27.3 | Very low | 25.4 | Very low | 160 Ų | 160 | 151.2 Ų | 151.2 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | trans | -87.3 | 147.4 | -166.3 | -68.6 | 149.7 | 0 | 0 | 0 | 113.3 | ||||
| 49 | S | 24.6 | Very low | 25.5 | Very low | 119 Ų | 119 | 159.6 Ų | 159.6 | 83% | 0.832 | 84% | 0.837 | S | S | * | * | -178.8 | 118.9 | 124.3 | -84 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 50 | R | 22.8 | Very low | 25.4 | Very low | 253 Ų | 253 | 157.8 Ų | 157.8 | 96% | 0.955 | 84% | 0.836 | S | S | * | * | trans | 21.6 | 124.8 | 133.6 | -150.6 | 176 | -165.7 | -172.2 | 3.2 | 119.3 | ||||
| 51 | G | 22.6 | Very low | 25.2 | Very low | 74 Ų | 74 | 160 Ų | 160 | 76% | 0.763 | 84% | 0.839 | S | S | * | * | trans | 169.6 | 95.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 52 | N | 24.1 | Very low | 25 | Very low | 159 Ų | 159 | 163.9 Ų | 163.9 | 85% | 0.85 | 84% | 0.838 | S | S | * | * | trans | 17.3 | 140.8 | 153.3 | -63.6 | -10.3 | 0 | 0 | 0 | 123.9 | ||||
| 53 | H | 28.6 | Very low | 24.9 | Very low | 182 Ų | 182 | 162 Ų | 162 | 84% | 0.843 | 84% | 0.836 | S | S | * | * | trans | -49.4 | 134.6 | 166.8 | -58 | -85.2 | 0 | 0 | 0 | 115.2 | ||||
| 54 | T | 25.4 | Very low | 24.8 | Very low | 150 Ų | 150 | 164.2 Ų | 164.2 | 92% | 0.92 | 83% | 0.833 | S | S | * | * | trans | -160.7 | 147.7 | 135.5 | -20.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 55 | A | 26.6 | Very low | 24.7 | Very low | 98 Ų | 98 | 168.2 Ų | 168.2 | 81% | 0.81 | 84% | 0.841 | S | S | * | * | trans | -66 | 145.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 56 | A | 24 | Very low | 24.7 | Very low | 95 Ų | 95 | 167.3 Ų | 167.3 | 79% | 0.785 | 84% | 0.841 | S | S | * | * | trans | -161.3 | 109.8 | 148.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 57 | Q | 27.3 | Very low | 24.6 | Very low | 194 Ų | 194 | 162 Ų | 162 | 91% | 0.907 | 84% | 0.835 | S | S | * | * | trans | -71.6 | 128.7 | 167.7 | -76.1 | -172.5 | -29.3 | 0 | 0 | 109.7 | R59 | Q57-R59 PolarHBondContact O-N 3.18Š| ||
| 58 | P | 24.9 | Very low | 24.4 | Very low | 117 Ų | 117 | 158.1 Ų | 158.1 | 76% | 0.76 | 83% | 0.83 | S | S | * | * | trans | -78.3 | 124.5 | 172.3 | 29.8 | -29.7 | 0 | 0 | 0 | 110.2 | L60 | P58-L60 PolarHBondContact O-N 3.49Š| ||
| 59 | R | 26.3 | Very low | 24.3 | Very low | 250 Ų | 250 | 157 Ų | 157 | 94% | 0.943 | 82% | 0.816 | S | S | * | * | trans | -59.6 | 112 | 168.8 | -70.7 | 177.6 | 173.4 | 174.1 | -1.7 | 109.5 | Q57 N61 | Q57-R59 PolarHBondContact O-N 3.18Å; R59-N61 PolarHBondContact O-N 2.89Å | ||
| 60 | L | 25.6 | Very low | 24.2 | Very low | 168 Ų | 168 | 162 Ų | 162 | 88% | 0.88 | 82% | 0.818 | S | S | * | * | trans | -77 | 110.4 | 169.7 | -88.2 | 150.8 | 0 | 0 | 0 | 109.7 | P58 W62 | P58-L60 PolarHBondContact O-N 3.49Å; L60-W62 PolarHBondContact O-N 3.27Å | ||
| 61 | N | 22.9 | Very low | 24.3 | Very low | 153 Ų | 153 | 154.2 Ų | 154.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -76.7 | 109.7 | 176.6 | -163.3 | 1.4 | 0 | 0 | 0 | 108.9 | R59 K63 | R59-N61 PolarHBondContact O-N 2.89Å; N61-K63 PolarHBondContact O-N 3.48Å | ||
| 62 | W | 23.4 | Very low | 24.4 | Very low | 225 Ų | 225 | 161.9 Ų | 161.9 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | trans | -81.6 | 108.6 | -180 | -157.3 | -85.8 | 0 | 0 | 0 | 110.4 | L60 | L60-W62 PolarHBondContact O-N 3.27Š| ||
| 63 | K | 22.6 | Very low | 24.5 | Very low | 191 Ų | 191 | 160.4 Ų | 160.4 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | trans | -67.5 | 135.7 | 168.6 | -81.4 | -178.8 | 175.9 | 178.2 | 0 | 110.1 | N61 | N61-K63 PolarHBondContact O-N 3.48Š| ||
| 64 | R | 25.6 | Very low | 24.3 | Very low | 224 Ų | 224 | 155.9 Ų | 155.9 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | trans | -51.2 | 136.9 | -178.4 | -70.2 | 175.4 | 172.4 | -158 | -4.9 | 113 | ||||
| 65 | Q | 21.5 | Very low | 24.2 | Very low | 181 Ų | 181 | 158.6 Ų | 158.6 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -124.7 | 99 | 158.5 | -146.7 | 170.6 | 14.8 | 0 | 0 | 108 | S67 | Q65-S67 PolarHBondContact O-N 3.09Š| ||
| 66 | T | 23.4 | Very low | 24.1 | Very low | 127 Ų | 127 | 163.1 Ų | 163.1 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -73.7 | 101.4 | 172.6 | 26.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 67 | S | 21.4 | Very low | 24.1 | Very low | 88 Ų | 88 | 166.9 Ų | 166.9 | 62% | 0.615 | 80% | 0.796 | S | S | * | * | trans | -94.2 | 100.5 | 168 | -178.3 | 0 | 0 | 0 | 0 | 109 | Q65 Y69 | Q65-S67 PolarHBondContact O-N 3.09Å; S67-Y69 PolarHBondContact O-N 2.78Å | ||
| 68 | C | 21.2 | Very low | 23.9 | Very low | 113 Ų | 113 | 164 Ų | 164 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 118.2 | 170.9 | -66.4 | 0 | 0 | 0 | 0 | 109.5 | ||
| 69 | Y | 25.8 | Very low | 23.8 | Very low | 135 Ų | 135 | 165 Ų | 165 | 53% | 0.529 | 80% | 0.797 | S | S | . | * | P | Polyproline II helix | trans | -95.3 | 125.6 | 171.4 | -89.5 | -83.1 | 0 | 0 | 0 | 110 | S67 K176 | S67-Y69 PolarHBondContact O-N 2.78Å; Y69-K176 WeakPolarHBondContact OH-CE 3.46Å; Y69-K176 PolarHBondContact OH-NZ 3.04Å |
| 70 | Y | 21.4 | Very low | 23.6 | Very low | 224 Ų | 224 | 162.5 Ų | 162.5 | 88% | 0.878 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 127.4 | 166.4 | -81.6 | -91.9 | 0 | 0 | 0 | 109.2 | ||
| 71 | D | 26 | Very low | 23.4 | Very low | 90 Ų | 90 | 160.9 Ų | 160.9 | 48% | 0.481 | 79% | 0.792 | S | S | . | * | P | Polyproline II helix | trans | -98.6 | 128 | 174.9 | -85.9 | -28.7 | 0 | 0 | 0 | 110.3 | R293 | D71-R293 IonicContact OD1-CZ 3.65Å; D71-R293 IonicContact OD1-NH1 2.61Å; D71-R293 PolarHBondContact OD1-NH1 2.98Å; D71-R293 IonicContact OD1-NH2 3.94Å; D71-R293 PolarHBondContact OD1-NH2 3.33Å; D71-R293 IonicContact OD2-NH1 3.94Å; D71-R293 PolarHBondContact OD2-NH1 3.38Å; D71-R293 VanDerWaalsContact OD2-NH1 3.13Å |
| 72 | Y | 24.6 | Very low | 23.5 | Very low | 235 Ų | 235 | 163.5 Ų | 163.5 | 92% | 0.922 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 136 | 164.3 | -95.2 | -96.3 | 0 | 0 | 0 | 110.3 | ||
| 73 | T | 25.6 | Very low | 23.4 | Very low | 128 Ų | 128 | 160.8 Ų | 160.8 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 118.2 | 178.3 | 44.1 | 0 | 0 | 0 | 0 | 111.4 | ||
| 74 | A | 23.9 | Very low | 23.4 | Very low | 88 Ų | 88 | 157.6 Ų | 157.6 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 132.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 75 | K | 23.8 | Very low | 23.3 | Very low | 206 Ų | 206 | 155 Ų | 155 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -76 | 138.3 | 176.4 | -65.7 | 176 | 178 | 178.2 | 0 | 109.3 | ||
| 76 | Y | 24.7 | Very low | 23.5 | Very low | 194 Ų | 194 | 154.8 Ų | 154.8 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 134 | 174 | -67.7 | -88.2 | 0 | 0 | 0 | 109.5 | ||
| 77 | L | 24.1 | Very low | 23.5 | Very low | 173 Ų | 173 | 154.3 Ų | 154.3 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | trans | -105.8 | 128.6 | 165.2 | -90.5 | 149.7 | 0 | 0 | 0 | 107.8 | ||||
| 78 | T | 22.3 | Very low | 23.6 | Very low | 135 Ų | 135 | 156.5 Ų | 156.5 | 83% | 0.828 | 79% | 0.791 | S | S | * | * | trans | -93.8 | 127.8 | 174.1 | 41.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 79 | T | 23.9 | Very low | 23.7 | Very low | 138 Ų | 138 | 159.2 Ų | 159.2 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | trans | -108.8 | 127.1 | 167.6 | 42.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 80 | E | 22.1 | Very low | 23.6 | Very low | 196 Ų | 196 | 156 Ų | 156 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | trans | -71.6 | 144.9 | 176.1 | -64 | 179.4 | 153.9 | 0 | 0 | 111.6 | ||||
| 81 | V | 21.8 | Very low | 24.3 | Very low | 134 Ų | 134 | 151.8 Ų | 151.8 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -93.7 | 136.1 | 175.8 | 171.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 82 | K | 24.6 | Very low | 24.1 | Very low | 208 Ų | 208 | 150.9 Ų | 150.9 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | trans | -112.4 | 124.9 | 160.2 | -89.2 | -175.1 | 175.3 | 179.2 | 0 | 110.1 | ||||
| 83 | E | 21.9 | Very low | 24.1 | Very low | 168 Ų | 168 | 145.6 Ų | 145.6 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -65.9 | 147.2 | 169.5 | -84.9 | 176.5 | 126.1 | 0 | 0 | 112.5 | ||||
| 84 | S | 22.7 | Very low | 24.1 | Very low | 125 Ų | 125 | 146.8 Ų | 146.8 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -146.7 | 135 | 139.5 | 60.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 85 | K | 23.3 | Very low | 24.3 | Very low | 170 Ų | 170 | 150 Ų | 150 | 74% | 0.739 | 81% | 0.81 | S | S | * | * | trans | -102.2 | 148.3 | 175.4 | -78.6 | 178 | 174.5 | 174.5 | 0 | 109.8 | ||||
| 86 | H | 24.8 | Very low | 24.6 | Very low | 175 Ų | 175 | 146.5 Ų | 146.5 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | 171 | 112.2 | 129.1 | -90.2 | -58 | 0 | 0 | 0 | 108.9 | |||||
| 87 | T | 23.6 | Very low | 24.5 | Very low | 118 Ų | 118 | 146 Ų | 146 | 72% | 0.724 | 81% | 0.812 | S | S | * | * | 48.7 | 137.7 | 96.1 | 16.7 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 88 | D | 23.1 | Very low | 24.4 | Very low | 134 Ų | 134 | 148.7 Ų | 148.7 | 72% | 0.717 | 81% | 0.812 | S | S | * | * | cis | -172.1 | 171.6 | 1.3 | -158.2 | -5.9 | 0 | 0 | 0 | 109.1 | ||||
| 89 | E | 24.8 | Very low | 24.5 | Very low | 170 Ų | 170 | 150.9 Ų | 150.9 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | 91.1 | 120.5 | 154.9 | -49.9 | -147.5 | 154 | 0 | 0 | 122.2 | ||||
| 90 | G | 22.1 | Very low | 25.1 | Very low | 68 Ų | 68 | 150 Ų | 150 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | -83.3 | -155.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 91 | P | 35.7 | Very low | 25.2 | Very low | 134 Ų | 134 | 145 Ų | 145 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | cis | -146.1 | 174 | 21.6 | 39.6 | -19 | 0 | 0 | 0 | 118.6 | ||||
| 92 | G | 23.7 | Very low | 25.5 | Very low | 71 Ų | 71 | 146.8 Ų | 146.8 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | 66.7 | 154.1 | 148.2 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 93 | T | 24.5 | Very low | 25.6 | Very low | 125 Ų | 125 | 142.5 Ų | 142.5 | 77% | 0.767 | 79% | 0.794 | S | S | * | * | cis | -168.4 | 163.9 | 6.5 | -23.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 94 | D | 25.5 | Very low | 25.9 | Very low | 152 Ų | 152 | 140.5 Ų | 140.5 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | 88.3 | 126.6 | 151.8 | -52.8 | -31.6 | 0 | 0 | 0 | 123.3 | ||||
| 95 | I | 28 | Very low | 25.9 | Very low | 157 Ų | 157 | 140.1 Ų | 140.1 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | trans | -93.9 | 153.4 | 168.7 | -42.8 | 170.5 | 0 | 0 | 0 | 107.3 | ||||
| 96 | P | 29.5 | Very low | 26 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | -148.9 | 165.8 | 90.9 | 32 | -9.4 | 0 | 0 | 0 | 116.7 | |||||
| 97 | E | 22.8 | Very low | 26 | Very low | 184 Ų | 184 | 136.4 Ų | 136.4 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -70 | 145.1 | -178.5 | -151.6 | 171.1 | -164.6 | 0 | 0 | 114.6 | ||||
| 98 | Y | 22.1 | Very low | 26.1 | Very low | 229 Ų | 229 | 135.5 Ų | 135.5 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | -163.3 | 138.3 | 149.9 | -145.1 | -100.4 | 0 | 0 | 0 | 113.8 | ||||
| 99 | K | 23.4 | Very low | 26.2 | Very low | 181 Ų | 181 | 136.1 Ų | 136.1 | 79% | 0.787 | 79% | 0.793 | S | S | * | * | trans | -133.4 | 175.1 | 167.9 | -97.1 | -170.6 | 179.1 | 180 | 0 | 106.4 | ||||
| 100 | P | 37.6 | Very low | 26.2 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | -131.5 | 179.7 | -52.4 | 37.9 | -19.7 | 0 | 0 | 0 | 111.9 | |||||
| 101 | A | 23 | Very low | 26.5 | Very low | 91 Ų | 91 | 138 Ų | 138 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -154.3 | 115.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 102 | L | 28 | Very low | 26.3 | Very low | 172 Ų | 172 | 136.6 Ų | 136.6 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | 77.1 | 128 | 83 | -77.5 | 173 | 0 | 0 | 0 | 115.9 | |||||
| 103 | V | 27.4 | Very low | 26.3 | Very low | 119 Ų | 119 | 141 Ų | 141 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | trans | -70.2 | 172.5 | -174 | -153.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 104 | P | 28 | Very low | 26.4 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | -147.9 | 158.7 | 93.4 | 34.4 | -14.5 | 0 | 0 | 0 | 117.8 | |||||
| 105 | T | 23.5 | Very low | 26.4 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | trans | -72.5 | 155.8 | 170.9 | -27.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 106 | V | 26.1 | Very low | 26.3 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 70% | 0.697 | 78% | 0.784 | S | S | * | * | 169.7 | 140.1 | 91.3 | 169.1 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 107 | D | 23.6 | Very low | 26.2 | Very low | 152 Ų | 152 | 138.7 Ų | 138.7 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | 46.8 | 127 | 153.1 | -55 | -19.7 | 0 | 0 | 0 | 125.4 | ||||
| 108 | A | 25.7 | Very low | 26.6 | Very low | 99 Ų | 99 | 136.9 Ų | 136.9 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | 171.1 | 131.9 | 102.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 109 | L | 25.3 | Very low | 27 | Very low | 147 Ų | 147 | 135 Ų | 135 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -72.4 | 158.9 | 171.8 | -79.7 | 161.6 | 0 | 0 | 0 | 112.2 | ||||
| 110 | P | 24.8 | Very low | 27.5 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 84% | 0.844 | 78% | 0.775 | S | S | * | * | -141.5 | 147.2 | 90.1 | 25.5 | -4.4 | 0 | 0 | 0 | 115.9 | |||||
| 111 | L | 28.6 | Very low | 27.4 | Very low | 146 Ų | 146 | 132.4 Ų | 132.4 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | trans | -90.6 | 157.7 | 165 | -87 | 166.9 | 0 | 0 | 0 | 109.8 | ||||
| 112 | P | 32 | Very low | 28.1 | Very low | 105 Ų | 105 | 136.3 Ų | 136.3 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | -153.2 | 148.7 | 84.9 | 32.5 | -9.8 | 0 | 0 | 0 | 119.6 | |||||
| 113 | Q | 22.4 | Very low | 28.6 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | trans | 70.7 | 123.1 | 137.3 | -65.2 | 165.6 | 4.2 | 0 | 0 | 118.7 | ||||
| 114 | S | 26.7 | Very low | 29.4 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | -142.3 | 128.1 | 61.5 | 40.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 115 | Q | 25.9 | Very low | 30.3 | Very low | 156 Ų | 156 | 136.7 Ų | 136.7 | 73% | 0.729 | 79% | 0.79 | S | S | * | * | 58.7 | 110.2 | 82.6 | -88.4 | -173.7 | -0.4 | 0 | 0 | 112 | |||||
| 116 | I | 26.9 | Very low | 31.5 | Very low | 143 Ų | 143 | 140.4 Ų | 140.4 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | -177.7 | 114.2 | 68.2 | -86.4 | 135.1 | 0 | 0 | 0 | 105.9 | |||||
| 117 | S | 26.3 | Very low | 32.7 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | 106.3 | 112.8 | 90.5 | -62.3 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 118 | V | 32 | Very low | 34.3 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | trans | -91.5 | 119.9 | 168 | 171.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 119 | E | 29.8 | Very low | 35.7 | Very low | 190 Ų | 190 | 138.1 Ų | 138.1 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -136.2 | 115.7 | 161.6 | -91.6 | -178.7 | 169.4 | 0 | 0 | 109.7 | ||||
| 120 | G | 34 | Very low | 37.2 | Very low | 67 Ų | 67 | 138.7 Ų | 138.7 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | trans | 60.5 | 92.2 | 143.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 121 | L | 36.3 | Very low | 39.5 | Very low | 178 Ų | 178 | 138.3 Ų | 138.3 | 93% | 0.932 | 78% | 0.776 | S | S | * | * | trans | -138.6 | 60.4 | 152.1 | -69.7 | 177 | 0 | 0 | 0 | 109.8 | ||||
| 122 | D | 36 | Very low | 41.4 | Very low | 173 Ų | 173 | 140.5 Ų | 140.5 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | trans | -107.4 | 89.9 | 158.4 | -80.7 | -33.8 | 0 | 0 | 0 | 107.4 | ||||
| 123 | A | 38.9 | Very low | 43.4 | Very low | 87 Ų | 87 | 140.2 Ų | 140.2 | 72% | 0.719 | 77% | 0.774 | S | S | * | * | trans | -155 | 90.7 | 158.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | E125 | A123-E125 VanDerWaalsContact C-N 3.28Å; A123-E125 PolarHBondContact O-N 3.25Å | ||
| 124 | D | 44.3 | Very low | 45.9 | Very low | 166 Ų | 166 | 134.5 Ų | 134.5 | 89% | 0.888 | 75% | 0.752 | S | S | * | * | trans | -57.2 | 94.7 | 156.7 | -87.1 | -39.1 | 0 | 0 | 0 | 108 | K126 | D124-K126 PolarHBondContact O-N 3.44Š| ||
| 125 | E | 47.3 | Very low | 48.1 | Very low | 171 Ų | 171 | 135.7 Ų | 135.7 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | trans | -65.3 | 92.8 | 159.7 | -88.2 | -179.3 | 167.3 | 0 | 0 | 107.5 | A123 L127 | A123-E125 VanDerWaalsContact C-N 3.28Å; A123-E125 PolarHBondContact O-N 3.25Å; E125-L127 PolarHBondContact O-N 3.01Å | ||
| 126 | K | 49.4 | Very low | 50.2 | Low | 196 Ų | 196 | 135.4 Ų | 135.4 | 85% | 0.852 | 75% | 0.749 | S | S | * | * | trans | -61.9 | 85.6 | 158.7 | -81.9 | 177.8 | 175.7 | 171.7 | 0 | 107.7 | D124 S128 | D124-K126 PolarHBondContact O-N 3.44Å; K126-S128 PolarHBondContact O-N 3.38Å | ||
| 127 | L | 49.3 | Very low | 52.2 | Low | 137 Ų | 137 | 134.4 Ų | 134.4 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | trans | -52.8 | 115.3 | 164.2 | -71.7 | 168.5 | 0 | 0 | 0 | 107.3 | E125 A129 | E125-L127 PolarHBondContact O-N 3.01Å; L127-A129 PolarHBondContact O-N 2.83Å | ||
| 128 | S | 59.2 | Low | 54 | Low | 76 Ų | 76 | 131.5 Ų | 131.5 | 53% | 0.531 | 72% | 0.723 | S | S | . | * | trans | -70.1 | 132 | 179.4 | -172.1 | 0 | 0 | 0 | 0 | 107.5 | K126 L130 E131 | K126-S128 PolarHBondContact O-N 3.38Å; S128-L130 PolarHBondContact O-N 3.37Å; S128-E131 PolarHBondContact O-N 3.49Å; S128-E131 VanDerWaalsContact O-N 3.09Å | ||
| 129 | A | 53.9 | Low | 55.6 | Low | 106 Ų | 106 | 130.9 Ų | 130.9 | 88% | 0.876 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | 3.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L127 | L127-A129 PolarHBondContact O-N 2.83Š|
| 130 | L | 56.1 | Low | 57.2 | Low | 158 Ų | 158 | 124.9 Ų | 124.9 | 83% | 0.827 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.8 | 18.6 | -177.9 | -61.3 | 177.5 | 0 | 0 | 0 | 112.6 | S128 E132 | S128-L130 PolarHBondContact O-N 3.37Å; L130-E132 PolarHBondContact O-N 3.46Å |
| 131 | E | 73.1 | Confident | 58.6 | Low | 123 Ų | 123 | 126 Ų | 126 | 58% | 0.575 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 128.2 | 176.4 | -152.9 | 157.1 | -156 | 0 | 0 | 110.1 | S128 I133 | S128-E131 PolarHBondContact O-N 3.49Å; S128-E131 VanDerWaalsContact O-N 3.09Å; E131-I133 PolarHBondContact O-N 2.9Å |
| 132 | E | 68.6 | Low | 59.2 | Low | 192 Ų | 192 | 122.7 Ų | 122.7 | 90% | 0.897 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 117.5 | -179.2 | -86.2 | -178.9 | 162.5 | 0 | 0 | 109.5 | L130 | L130-E132 PolarHBondContact O-N 3.46Š|
| 133 | I | 73.8 | Confident | 60.1 | Low | 98 Ų | 98 | 121.1 Ų | 121.1 | 50% | 0.503 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -75.2 | 133.6 | 177.2 | -44.8 | 177.7 | 0 | 0 | 0 | 107.7 | E131 E137 A138 I141 | E131-I133 PolarHBondContact O-N 2.9Å; I133-E137 HydrophobicContact CG2-CB 3.45Å; I133-E137 VanDerWaalsContact CG2-CB 3.45Å; I133-A138 HydrophobicContact CG2-CB 4.43Å; I133-I141 HydrophobicContact CD1-CD1 3.68Å; I133-I141 HydrophobicContact CG2-CD1 4.36Å |
| 134 | S | 76.1 | Confident | 61 | Low | 45 Ų | 45 | 121.6 Ų | 121.6 | 32% | 0.315 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 152.6 | 174.2 | 61.7 | 0 | 0 | 0 | 0 | 111.3 | E136 E137 A138 | S134-E136 PolarHBondContact O-N 3.1Å; S134-E137 PolarHBondContact N-OE2 3.49Å; S134-E137 PolarHBondContact O-N 2.83Å; S134-E137 VanDerWaalsContact O-N 3.12Å; S134-E137 WeakPolarHBondContact OG-CB 3.45Å; S134-E137 VanDerWaalsContact OG-CG 3.31Å; S134-E137 WeakPolarHBondContact OG-CG 3.4Å; S134-E137 PolarHBondContact OG-N 2.95Å; S134-E137 PolarHBondContact OG-OE2 2.83Å; S134-A138 WeakPolarHBondContact O-CB 3.25Å; S134-A138 PolarHBondContact O-N 2.93Å |
| 135 | D | 72 | Confident | 61.6 | Low | 134 Ų | 134 | 118.9 Ų | 118.9 | 72% | 0.717 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -58.4 | -32.3 | -179.1 | -76 | -26.5 | 0 | 0 | 0 | 111.7 | V139 | D135-V139 VanDerWaalsContact O-CG2 3.25Å; D135-V139 WeakPolarHBondContact O-CG2 3.46Å; D135-V139 PolarHBondContact O-N 2.98Å |
| 136 | E | 71.5 | Confident | 62.1 | Low | 150 Ų | 150 | 115.5 Ų | 115.5 | 70% | 0.701 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -72.9 | -38.9 | 177.8 | -61.8 | 76.3 | -167.4 | 0 | 0 | 112.7 | S134 G140 | S134-E136 PolarHBondContact O-N 3.1Å; E136-G140 PolarHBondContact O-N 3.05Å |
| 137 | E | 67.3 | Low | 62.6 | Low | 122 Ų | 122 | 111.7 Ų | 111.7 | 57% | 0.57 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -72.1 | -35.7 | 174.2 | -78.8 | 170.6 | 144.2 | 0 | 0 | 111.6 | I133 S134 V139 G140 I141 | I133-E137 HydrophobicContact CG2-CB 3.45Å; I133-E137 VanDerWaalsContact CG2-CB 3.45Å; S134-E137 PolarHBondContact N-OE2 3.49Å; S134-E137 PolarHBondContact O-N 2.83Å; S134-E137 VanDerWaalsContact O-N 3.12Å; S134-E137 WeakPolarHBondContact OG-CB 3.45Å; S134-E137 VanDerWaalsContact OG-CG 3.31Å; S134-E137 WeakPolarHBondContact OG-CG 3.4Å; S134-E137 PolarHBondContact OG-N 2.95Å; S134-E137 PolarHBondContact OG-OE2 2.83Å; E137-V139 VanDerWaalsContact C-N 3.29Å; E137-V139 PolarHBondContact O-N 3.32Å; E137-G140 WeakPolarHBondContact O-CA 3.31Å; E137-G140 PolarHBondContact O-N 3.17Å; E137-I141 WeakPolarHBondContact O-CG1 3.37Å; E137-I141 PolarHBondContact O-N 3.17Å |
| 138 | A | 63.9 | Low | 63.1 | Low | 47 Ų | 47 | 106.8 Ų | 106.8 | 39% | 0.388 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -61.1 | -37.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | I133 S134 G140 I141 | I133-A138 HydrophobicContact CG2-CB 4.43Å; S134-A138 WeakPolarHBondContact O-CB 3.25Å; S134-A138 PolarHBondContact O-N 2.93Å; A138-G140 VanDerWaalsContact C-N 3.26Å; A138-G140 PolarHBondContact O-N 2.52Å; A138-I141 PolarHBondContact O-N 3.02Å |
| 139 | V | 65.9 | Low | 63.1 | Low | 133 Ų | 133 | 109.7 Ų | 109.7 | 81% | 0.806 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -69.8 | -24 | 175.2 | 175 | 0 | 0 | 0 | 0 | 112 | D135 E137 | D135-V139 VanDerWaalsContact O-CG2 3.25Å; D135-V139 WeakPolarHBondContact O-CG2 3.46Å; D135-V139 PolarHBondContact O-N 2.98Å; E137-V139 VanDerWaalsContact C-N 3.29Å; E137-V139 PolarHBondContact O-N 3.32Å |
| 140 | G | 64 | Low | 63.4 | Low | 63 Ų | 63 | 108.8 Ų | 108.8 | 65% | 0.649 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -82.9 | -11.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115 | E136 E137 A138 S142 | E136-G140 PolarHBondContact O-N 3.05Å; E137-G140 WeakPolarHBondContact O-CA 3.31Å; E137-G140 PolarHBondContact O-N 3.17Å; A138-G140 VanDerWaalsContact C-N 3.26Å; A138-G140 PolarHBondContact O-N 2.52Å; G140-S142 PolarHBondContact O-N 3.32Å |
| 141 | I | 63 | Low | 63.7 | Low | 90 Ų | 90 | 102.9 Ų | 102.9 | 46% | 0.462 | 61% | 0.608 | S | S | . | * | trans | -72.6 | 97.5 | 176.9 | -60.3 | 171.1 | 0 | 0 | 0 | 108.6 | I133 E137 A138 I143 | I133-I141 HydrophobicContact CD1-CD1 3.68Å; I133-I141 HydrophobicContact CG2-CD1 4.36Å; E137-I141 WeakPolarHBondContact O-CG1 3.37Å; E137-I141 PolarHBondContact O-N 3.17Å; A138-I141 PolarHBondContact O-N 3.02Å; I141-I143 PolarHBondContact O-N 3.47Å | ||
| 142 | S | 49.8 | Very low | 63.5 | Low | 110 Ų | 110 | 104 Ų | 104 | 77% | 0.769 | 62% | 0.623 | S | S | * | * | trans | -65.3 | 99.7 | 169.6 | -173.5 | 0 | 0 | 0 | 0 | 109 | G140 P144 | G140-S142 PolarHBondContact O-N 3.32Å; S142-P144 VanDerWaalsContact O-CD 3.28Å; S142-P144 WeakPolarHBondContact O-CD 3.48Å | ||
| 143 | I | 53.5 | Low | 64.1 | Low | 139 Ų | 139 | 96.4 Ų | 96.4 | 71% | 0.713 | 59% | 0.591 | S | S | * | * | trans | -68.1 | 115.5 | 172 | -56.5 | 172.6 | 0 | 0 | 0 | 106.1 | I141 | I141-I143 PolarHBondContact O-N 3.47Š| ||
| 144 | P | 58.3 | Low | 64.4 | Low | 97 Ų | 97 | 92 Ų | 92 | 63% | 0.63 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 144.9 | 174.7 | 22 | -30.5 | 0 | 0 | 0 | 108.9 | S142 S146 | S142-P144 VanDerWaalsContact O-CD 3.28Å; S142-P144 WeakPolarHBondContact O-CD 3.48Å; P144-S146 PolarHBondContact O-N 2.99Å |
| 145 | P | 57.8 | Low | 64.5 | Low | 109 Ų | 109 | 96.8 Ų | 96.8 | 71% | 0.708 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 122.4 | -175.3 | 18.3 | -31 | 0 | 0 | 0 | 109.5 | I147 | P145-I147 PolarHBondContact O-N 3.32Š|
| 146 | S | 58.2 | Low | 64.8 | Low | 101 Ų | 101 | 94.4 Ų | 94.4 | 71% | 0.706 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 116.1 | -170.3 | 61 | 0 | 0 | 0 | 0 | 109.3 | P144 | P144-S146 PolarHBondContact O-N 2.99Š|
| 147 | I | 59.4 | Low | 65.2 | Low | 115 Ų | 115 | 88.8 Ų | 88.8 | 59% | 0.59 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -52.1 | 129.5 | 169.6 | -65.1 | 172.6 | 0 | 0 | 0 | 107.5 | P145 P149 Y157 | P145-I147 PolarHBondContact O-N 3.32Å; I147-P149 WeakPolarHBondContact O-CD 3.43Å; I147-Y157 HydrophobicContact CG2-CD1 3.65Å; I147-Y157 HydrophobicContact CG2-CE1 3.35Å |
| 148 | P | 60.7 | Low | 65.9 | Low | 35 Ų | 35 | 84 Ų | 84 | 23% | 0.227 | 53% | 0.525 | C | S | . | . | P | Polyproline II helix | trans | -57 | 120.7 | -177.8 | 15.2 | -24.6 | 0 | 0 | 0 | 108.7 | A150 D156 Y157 | P148-A150 PolarHBondContact O-N 3.4Å; P148-A150 VanDerWaalsContact O-N 3.1Å; P148-D156 HydrophobicContact CG-CB 4.43Å; P148-Y157 HydrophobicContact CB-CE1 4.49Å; P148-Y157 HydrophobicContact CG-CD1 4.08Å; P148-Y157 HydrophobicContact CG-CE1 3.59Å; P148-Y157 WeakPolarHBondContact O-CE1 3.47Å; P148-Y157 PolarHBondContact O-OH 2.97Å |
| 149 | P | 58.7 | Low | 66.5 | Low | 137 Ų | 137 | 89 Ų | 89 | 89% | 0.89 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -66.3 | -19.8 | -168.6 | 23.8 | -33.4 | 0 | 0 | 0 | 112.5 | I147 | I147-P149 WeakPolarHBondContact O-CD 3.43Š|
| 150 | A | 59.3 | Low | 67.3 | Low | 87 Ų | 87 | 87.1 Ų | 87.1 | 72% | 0.719 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -145.9 | 126.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | P148 | P148-A150 PolarHBondContact O-N 3.4Å; P148-A150 VanDerWaalsContact O-N 3.1Å |
| 151 | S | 63.3 | Low | 68.4 | Low | 33 Ų | 33 | 85.4 Ų | 85.4 | 23% | 0.231 | 51% | 0.505 | C | S | . | . | trans | -128.5 | 154.6 | 165.8 | 165.8 | 0 | 0 | 0 | 0 | 109.7 | S153 D156 Y157 | S151-S153 PolarHBondContact OG-N 3.16Å; S151-S153 PolarHBondContact OG-O 3.37Å; S151-D156 WeakPolarHBondContact CB-OD2 3.41Å; S151-D156 WeakPolarHBondContact OG-CB 3.4Å; S151-D156 VanDerWaalsContact OG-CG 3.3Å; S151-D156 PolarHBondContact OG-OD2 3.38Å; S151-Y157 WeakPolarHBondContact CB-OH 3.32Å; S151-Y157 PolarHBondContact N-OH 3.02Å; S151-Y157 VanDerWaalsContact N-OH 3.17Å | ||
| 152 | V | 68.9 | Low | 69.7 | Low | 146 Ų | 146 | 86.4 Ų | 86.4 | 89% | 0.885 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -93 | -8 | 177 | -161.2 | 0 | 0 | 0 | 0 | 111.1 | ||
| 153 | S | 81.1 | Confident | 71.8 | Confident | 34 Ų | 34 | 81.6 Ų | 81.6 | 24% | 0.238 | 47% | 0.474 | C | S | . | . | trans | -138.8 | 136.7 | -172.9 | -174.6 | 0 | 0 | 0 | 0 | 112.3 | S151 Q155 D156 E178 | S151-S153 PolarHBondContact OG-N 3.16Å; S151-S153 PolarHBondContact OG-O 3.37Å; S153-Q155 PolarHBondContact O-N 2.9Å; S153-Q155 VanDerWaalsContact O-N 3.13Å; S153-Q155 VanDerWaalsContact OG-CB 3.27Å; S153-Q155 WeakPolarHBondContact OG-CB 3.28Å; S153-Q155 PolarHBondContact OG-N 3.08Å; S153-D156 PolarHBondContact O-N 3.45Å; S153-E178 WeakPolarHBondContact CA-OE1 3.38Å; S153-E178 WeakPolarHBondContact CA-OE2 3.2Å | ||
| 154 | L | 80.3 | Confident | 73.7 | Confident | 5 Ų | 5 | 75 Ų | 75 | 3% | 0.026 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -23 | 171.4 | -76 | 179.6 | 0 | 0 | 0 | 111.8 | D156 Y157 V158 L174 E178 L187 L188 | L154-D156 PolarHBondContact O-N 3.07Å; L154-Y157 PolarHBondContact O-N 2.96Å; L154-Y157 VanDerWaalsContact O-N 3.09Å; L154-V158 WeakPolarHBondContact O-CG2 3.46Å; L154-V158 PolarHBondContact O-N 3.27Å; L154-L174 HydrophobicContact CD1-CB 4.46Å; L154-E178 HydrophobicContact CD1-CB 3.89Å; L154-E178 HydrophobicContact CG-CB 4.1Å; L154-E178 HydrophobicContact CG-CG 4.27Å; L154-E178 PolarHBondContact N-OE1 2.9Å; L154-E178 PolarHBondContact N-OE2 3.43Å; L154-L187 HydrophobicContact CD1-CD1 4.28Å; L154-L188 HydrophobicContact CD2-CD1 3.99Å; L154-L188 HydrophobicContact CD2-CD2 4.38Å; L154-L188 HydrophobicContact CD2-CG 3.97Å |
| 155 | Q | 78.3 | Confident | 75.4 | Confident | 145 Ų | 145 | 72.5 Ų | 72.5 | 68% | 0.678 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -56 | -39 | 179.1 | -171.9 | 173 | -4.9 | 0 | 0 | 112.2 | S153 Y157 V158 | S153-Q155 PolarHBondContact O-N 2.9Å; S153-Q155 VanDerWaalsContact O-N 3.13Å; S153-Q155 VanDerWaalsContact OG-CB 3.27Å; S153-Q155 WeakPolarHBondContact OG-CB 3.28Å; S153-Q155 PolarHBondContact OG-N 3.08Å; Q155-Y157 PolarHBondContact O-N 2.8Å; Q155-Y157 VanDerWaalsContact O-N 3.15Å; Q155-V158 PolarHBondContact O-N 3.28Å; Q155-V158 VanDerWaalsContact O-N 3.11Å |
| 156 | D | 78.5 | Confident | 77.1 | Confident | 85 Ų | 85 | 70 Ų | 70 | 46% | 0.455 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -69 | -16 | -177 | -56.9 | -19.8 | 0 | 0 | 0 | 112.2 | P148 S151 S153 L154 | P148-D156 HydrophobicContact CG-CB 4.43Å; S151-D156 WeakPolarHBondContact CB-OD2 3.41Å; S151-D156 WeakPolarHBondContact OG-CB 3.4Å; S151-D156 VanDerWaalsContact OG-CG 3.3Å; S151-D156 PolarHBondContact OG-OD2 3.38Å; S153-D156 PolarHBondContact O-N 3.45Å; L154-D156 PolarHBondContact O-N 3.07Å |
| 157 | Y | 78.9 | Confident | 78.9 | Confident | 31 Ų | 31 | 65.1 Ų | 65.1 | 12% | 0.122 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -101.1 | -10.2 | 177.3 | -59.4 | -67.6 | 0 | 0 | 0 | 113.5 | I147 P148 S151 L154 Q155 D159 Q160 S161 L188 | I147-Y157 HydrophobicContact CG2-CD1 3.65Å; I147-Y157 HydrophobicContact CG2-CE1 3.35Å; P148-Y157 HydrophobicContact CB-CE1 4.49Å; P148-Y157 HydrophobicContact CG-CD1 4.08Å; P148-Y157 HydrophobicContact CG-CE1 3.59Å; P148-Y157 WeakPolarHBondContact O-CE1 3.47Å; P148-Y157 PolarHBondContact O-OH 2.97Å; S151-Y157 WeakPolarHBondContact CB-OH 3.32Å; S151-Y157 PolarHBondContact N-OH 3.02Å; S151-Y157 VanDerWaalsContact N-OH 3.17Å; L154-Y157 PolarHBondContact O-N 2.96Å; L154-Y157 VanDerWaalsContact O-N 3.09Å; Q155-Y157 PolarHBondContact O-N 2.8Å; Q155-Y157 VanDerWaalsContact O-N 3.15Å; Y157-D159 PolarHBondContact O-N 3.28Å; Y157-Q160 PolarHBondContact O-N 3.13Å; Y157-S161 WeakPolarHBondContact O-CB 3.24Å; Y157-S161 PolarHBondContact O-N 2.89Å; Y157-L188 HydrophobicContact CD2-CD1 4.12Å; Y157-L188 HydrophobicContact CD2-CD2 4.16Å; Y157-L188 HydrophobicContact CE2-CD1 4.23Å; Y157-L188 HydrophobicContact CG-CD2 3.91Å |
| 158 | V | 81.5 | Confident | 80.6 | Confident | 22 Ų | 22 | 63 Ų | 63 | 13% | 0.133 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62 | -48.1 | -174.5 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | L154 Q155 Q160 S161 L164 T165 V168 L174 | L154-V158 WeakPolarHBondContact O-CG2 3.46Å; L154-V158 PolarHBondContact O-N 3.27Å; Q155-V158 PolarHBondContact O-N 3.28Å; Q155-V158 VanDerWaalsContact O-N 3.11Å; V158-Q160 PolarHBondContact O-N 3.47Å; V158-Q160 VanDerWaalsContact O-N 3.14Å; V158-S161 PolarHBondContact O-N 3.31Å; V158-L164 HydrophobicContact CG2-CB 4.35Å; V158-T165 PolarHBondContact O-OG1 2.98Å; V158-V168 HydrophobicContact CG1-CG2 4.27Å; V158-L174 HydrophobicContact CG2-CD1 3.77Å |
| 159 | D | 77.5 | Confident | 82.1 | Confident | 152 Ų | 152 | 68.6 Ų | 68.6 | 81% | 0.813 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -17 | -176.1 | -61.6 | -23.3 | 0 | 0 | 0 | 112.9 | Y157 | Y157-D159 PolarHBondContact O-N 3.28Š|
| 160 | Q | 81.6 | Confident | 83.8 | Confident | 94 Ų | 94 | 64.8 Ų | 64.8 | 44% | 0.439 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -22.4 | -177 | -59.1 | 175.1 | 15.3 | 0 | 0 | 112.6 | Y157 V158 | Y157-Q160 PolarHBondContact O-N 3.13Å; V158-Q160 PolarHBondContact O-N 3.47Å; V158-Q160 VanDerWaalsContact O-N 3.14Å |
| 161 | S | 87.4 | Confident | 85.5 | Confident | 26 Ų | 26 | 63 Ų | 63 | 18% | 0.182 | 34% | 0.344 | C | S | . | . | trans | -106 | 113.1 | -178.4 | 179 | 0 | 0 | 0 | 0 | 110.9 | Y157 V158 T163 L164 T165 | Y157-S161 WeakPolarHBondContact O-CB 3.24Å; Y157-S161 PolarHBondContact O-N 2.89Å; V158-S161 PolarHBondContact O-N 3.31Å; S161-T163 VanDerWaalsContact C-N 3.25Å; S161-T163 PolarHBondContact O-N 3.48Å; S161-L164 PolarHBondContact O-N 3.15Å; S161-L164 PolarHBondContact OG-N 3.09Å; S161-T165 PolarHBondContact O-N 3.23Å; S161-T165 PolarHBondContact O-OG1 3.29Å | ||
| 162 | E | 91.3 | Very high | 87.1 | Confident | 112 Ų | 112 | 61.8 Ų | 61.8 | 52% | 0.523 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -55 | -43.3 | 173.5 | -171.6 | -170.8 | 158.4 | 0 | 0 | 111.4 | L164 T165 K166 | E162-L164 PolarHBondContact O-N 3.11Å; E162-T165 PolarHBondContact O-N 3.14Å; E162-K166 HydrophobicContact CG-CD 4.19Å; E162-K166 WeakPolarHBondContact O-CG 3.27Å; E162-K166 PolarHBondContact O-N 2.92Å; E162-K166 WeakPolarHBondContact OE1-CE 3.35Å; E162-K166 IonicContact OE1-NZ 3.34Å; E162-K166 PolarHBondContact OE1-NZ 2.92Å |
| 163 | T | 93.6 | Very high | 88.3 | Confident | 8 Ų | 8 | 56.9 Ų | 56.9 | 5% | 0.049 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.6 | -50.4 | 177.4 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | S161 K166 L167 L190 F192 V196 | S161-T163 VanDerWaalsContact C-N 3.25Å; S161-T163 PolarHBondContact O-N 3.48Å; T163-K166 PolarHBondContact O-N 2.97Å; T163-L167 HydrophobicContact CG2-CD1 4.12Å; T163-L167 VanDerWaalsContact O-CG 3.26Å; T163-L167 WeakPolarHBondContact O-CG 3.44Å; T163-L167 PolarHBondContact O-N 3.22Å; T163-L190 HydrophobicContact CG2-CB 4.39Å; T163-L190 PolarHBondContact OG1-O 3.02Å; T163-L190 VanDerWaalsContact OG1-O 3.04Å; T163-F192 HydrophobicContact CG2-CB 4.34Å; T163-F192 HydrophobicContact CG2-CD2 4.5Å; T163-F192 PolarHBondContact OG1-N 3.27Å; T163-F192 VanDerWaalsContact OG1-N 3.14Å; T163-V196 HydrophobicContact CG2-CG2 3.94Å |
| 164 | L | 93.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.8 | -41.5 | -179.3 | -65.8 | -176.1 | 0 | 0 | 0 | 111.9 | V158 S161 E162 K166 L167 V168 L174 L187 L188 | V158-L164 HydrophobicContact CG2-CB 4.35Å; S161-L164 PolarHBondContact O-N 3.15Å; S161-L164 PolarHBondContact OG-N 3.09Å; E162-L164 PolarHBondContact O-N 3.11Å; L164-K166 PolarHBondContact O-N 3.31Å; L164-L167 HydrophobicContact CD2-CD1 4.39Å; L164-L167 PolarHBondContact O-N 3.49Å; L164-V168 WeakPolarHBondContact O-CG2 3.31Å; L164-V168 PolarHBondContact O-N 2.79Å; L164-L174 HydrophobicContact CB-CD1 4.35Å; L164-L174 HydrophobicContact CD2-CD1 4.35Å; L164-L174 HydrophobicContact CD2-CD2 4.39Å; L164-L187 HydrophobicContact CD2-CB 4.16Å; L164-L188 HydrophobicContact CD1-CD2 3.67Å |
| 165 | T | 93.4 | Very high | 89.2 | Confident | 46 Ų | 46 | 63.5 Ų | 63.5 | 28% | 0.282 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.2 | -48.7 | 175.3 | -71.7 | 0 | 0 | 0 | 0 | 111.3 | V158 S161 E162 L167 V168 Q169 | V158-T165 PolarHBondContact O-OG1 2.98Å; S161-T165 PolarHBondContact O-N 3.23Å; S161-T165 PolarHBondContact O-OG1 3.29Å; E162-T165 PolarHBondContact O-N 3.14Å; T165-L167 PolarHBondContact O-N 2.84Å; T165-V168 WeakPolarHBondContact O-CB 3.46Å; T165-V168 PolarHBondContact O-N 2.98Å; T165-Q169 WeakPolarHBondContact O-CG 3.42Å; T165-Q169 PolarHBondContact O-N 3.05Å |
| 166 | K | 94.6 | Very high | 89.8 | Confident | 55 Ų | 55 | 58.3 Ų | 58.3 | 24% | 0.239 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.4 | -37.5 | 178 | -72.9 | 178.1 | 169.9 | 175.7 | 0 | 112.6 | E162 T163 L164 V168 Q169 L170 F192 | E162-K166 HydrophobicContact CG-CD 4.19Å; E162-K166 WeakPolarHBondContact O-CG 3.27Å; E162-K166 PolarHBondContact O-N 2.92Å; E162-K166 WeakPolarHBondContact OE1-CE 3.35Å; E162-K166 IonicContact OE1-NZ 3.34Å; E162-K166 PolarHBondContact OE1-NZ 2.92Å; T163-K166 PolarHBondContact O-N 2.97Å; L164-K166 PolarHBondContact O-N 3.31Å; K166-V168 VanDerWaalsContact C-N 3.32Å; K166-V168 PolarHBondContact O-N 3.29Å; K166-Q169 WeakPolarHBondContact O-CB 3.03Å; K166-Q169 PolarHBondContact O-N 3.34Å; K166-L170 WeakPolarHBondContact O-CG 3.44Å; K166-L170 PolarHBondContact O-N 2.92Å; K166-F192 HydrophobicContact CB-CD2 3.67Å; K166-F192 HydrophobicContact CB-CE2 3.42Å; K166-F192 VanDerWaalsContact CB-CE2 3.42Å; K166-F192 HydrophobicContact CB-CG 4.49Å; K166-F192 HydrophobicContact CB-CZ 4.09Å; K166-F192 HydrophobicContact CD-CB 4.4Å; K166-F192 HydrophobicContact CD-CD1 3.59Å; K166-F192 HydrophobicContact CD-CD2 3.59Å; K166-F192 HydrophobicContact CD-CE1 3.65Å; K166-F192 HydrophobicContact CD-CE2 3.65Å; K166-F192 HydrophobicContact CD-CG 3.56Å; K166-F192 HydrophobicContact CD-CZ 3.68Å; K166-F192 HydrophobicContact CG-CD2 4.28Å; K166-F192 HydrophobicContact CG-CE2 4.16Å; K166-F192 HydrophobicContact CG-CZ 4.45Å |
| 167 | L | 95 | Very high | 90.5 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.4 | -39.3 | 173.9 | -71.3 | 172.9 | 0 | 0 | 0 | 111.6 | T163 L164 T165 L170 G171 V172 L187 V196 I217 | T163-L167 HydrophobicContact CG2-CD1 4.12Å; T163-L167 VanDerWaalsContact O-CG 3.26Å; T163-L167 WeakPolarHBondContact O-CG 3.44Å; T163-L167 PolarHBondContact O-N 3.22Å; L164-L167 HydrophobicContact CD2-CD1 4.39Å; L164-L167 PolarHBondContact O-N 3.49Å; T165-L167 PolarHBondContact O-N 2.84Å; L167-L170 PolarHBondContact O-N 3.04Å; L167-G171 PolarHBondContact O-N 3.48Å; L167-V172 HydrophobicContact CB-CB 4.18Å; L167-V172 HydrophobicContact CB-CG2 4.18Å; L167-V172 HydrophobicContact CD2-CG2 4.14Å; L167-V172 WeakPolarHBondContact O-CB 3.45Å; L167-V172 WeakPolarHBondContact O-CG2 3.47Å; L167-V172 PolarHBondContact O-N 3.14Å; L167-L187 HydrophobicContact CD1-CD2 4.25Å; L167-V196 HydrophobicContact CD2-CG1 4.04Å; L167-I217 HydrophobicContact CD2-CD1 4.24Å; L167-I217 HydrophobicContact CD2-CG2 4.47Å |
| 168 | V | 94.4 | Very high | 91 | Very high | 71 Ų | 71 | 55.7 Ų | 55.7 | 43% | 0.43 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 173.6 | 172.9 | 0 | 0 | 0 | 0 | 111 | V158 L164 T165 K166 L170 G171 L174 | V158-V168 HydrophobicContact CG1-CG2 4.27Å; L164-V168 WeakPolarHBondContact O-CG2 3.31Å; L164-V168 PolarHBondContact O-N 2.79Å; T165-V168 WeakPolarHBondContact O-CB 3.46Å; T165-V168 PolarHBondContact O-N 2.98Å; K166-V168 VanDerWaalsContact C-N 3.32Å; K166-V168 PolarHBondContact O-N 3.29Å; V168-L170 PolarHBondContact O-N 3.35Å; V168-G171 WeakPolarHBondContact O-CA 3.41Å; V168-G171 PolarHBondContact O-N 3.2Å; V168-L174 HydrophobicContact CG2-CD1 3.45Å; V168-L174 VanDerWaalsContact CG2-CD1 3.45Å; V168-L174 HydrophobicContact CG2-CG 3.97Å |
| 169 | Q | 93.9 | Very high | 91.4 | Very high | 151 Ų | 151 | 64.3 Ų | 64.3 | 71% | 0.706 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60.5 | -32.5 | 176.2 | -69.2 | 172.3 | -4.4 | 0 | 0 | 112.7 | T165 K166 G171 | T165-Q169 WeakPolarHBondContact O-CG 3.42Å; T165-Q169 PolarHBondContact O-N 3.05Å; K166-Q169 WeakPolarHBondContact O-CB 3.03Å; K166-Q169 PolarHBondContact O-N 3.34Å; Q169-G171 PolarHBondContact O-N 3.32Å |
| 170 | L | 94.3 | Very high | 92.1 | Very high | 57 Ų | 57 | 59.4 Ų | 59.4 | 30% | 0.298 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -1.5 | 172.8 | -69.8 | 168.8 | 0 | 0 | 0 | 113.8 | K166 L167 V168 V172 L200 G214 | K166-L170 WeakPolarHBondContact O-CG 3.44Å; K166-L170 PolarHBondContact O-N 2.92Å; L167-L170 PolarHBondContact O-N 3.04Å; V168-L170 PolarHBondContact O-N 3.35Å; L170-V172 HydrophobicContact CB-CG2 4.42Å; L170-L200 HydrophobicContact CD1-CD1 3.55Å; L170-L200 HydrophobicContact CD1-CD2 4.35Å; L170-G214 WeakPolarHBondContact O-CA 3.31Å; L170-G214 PolarHBondContact O-N 2.98Å |
| 171 | G | 94.7 | Very high | 92.4 | Very high | 49 Ų | 49 | 60.1 Ų | 60.1 | 51% | 0.505 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | 22.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | L167 V168 Q169 S173 | L167-G171 PolarHBondContact O-N 3.48Å; V168-G171 WeakPolarHBondContact O-CA 3.41Å; V168-G171 PolarHBondContact O-N 3.2Å; Q169-G171 PolarHBondContact O-N 3.32Å; G171-S173 PolarHBondContact O-N 3.35Å |
| 172 | V | 96.1 | Very high | 92.5 | Very high | 8 Ų | 8 | 65 Ų | 65 | 5% | 0.048 | 33% | 0.327 | C | S | . | . | trans | -73.8 | 126.2 | 176.5 | -178.1 | 0 | 0 | 0 | 0 | 110.6 | L167 L170 L174 L177 I217 S218 | L167-V172 HydrophobicContact CB-CB 4.18Å; L167-V172 HydrophobicContact CB-CG2 4.18Å; L167-V172 HydrophobicContact CD2-CG2 4.14Å; L167-V172 WeakPolarHBondContact O-CB 3.45Å; L167-V172 WeakPolarHBondContact O-CG2 3.47Å; L167-V172 PolarHBondContact O-N 3.14Å; L170-V172 HydrophobicContact CB-CG2 4.42Å; V172-L174 HydrophobicContact CG1-CD2 4.06Å; V172-L174 PolarHBondContact O-N 2.81Å; V172-L177 HydrophobicContact CG1-CD1 3.53Å; V172-I217 HydrophobicContact CG1-CG2 3.92Å; V172-I217 HydrophobicContact CG2-CB 3.93Å; V172-I217 HydrophobicContact CG2-CD1 4.33Å; V172-I217 HydrophobicContact CG2-CG2 3.87Å; V172-S218 WeakPolarHBondContact CA-OG 3.03Å | ||
| 173 | S | 93.6 | Very high | 92.6 | Very high | 43 Ų | 43 | 59.7 Ų | 59.7 | 30% | 0.301 | 30% | 0.302 | S | S | . | . | trans | -80.3 | 78.6 | 178.3 | -60 | 0 | 0 | 0 | 0 | 111.6 | G171 W175 K176 L177 S218 | G171-S173 PolarHBondContact O-N 3.35Å; S173-W175 VanDerWaalsContact C-N 3.3Å; S173-W175 PolarHBondContact O-N 2.97Å; S173-K176 WeakPolarHBondContact O-CB 3.31Å; S173-K176 PolarHBondContact O-N 3.31Å; S173-L177 PolarHBondContact O-N 2.79Å; S173-S218 PolarHBondContact N-OG 2.95Å | ||
| 174 | L | 91.5 | Very high | 92.4 | Very high | 14 Ų | 14 | 59.9 Ų | 59.9 | 7% | 0.073 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -55.7 | -40.3 | -177.5 | -64.6 | -174.5 | 0 | 0 | 0 | 113.4 | L154 V158 L164 V168 V172 K176 L177 E178 L187 | L154-L174 HydrophobicContact CD1-CB 4.46Å; V158-L174 HydrophobicContact CG2-CD1 3.77Å; L164-L174 HydrophobicContact CB-CD1 4.35Å; L164-L174 HydrophobicContact CD2-CD1 4.35Å; L164-L174 HydrophobicContact CD2-CD2 4.39Å; V168-L174 HydrophobicContact CG2-CD1 3.45Å; V168-L174 VanDerWaalsContact CG2-CD1 3.45Å; V168-L174 HydrophobicContact CG2-CG 3.97Å; V172-L174 HydrophobicContact CG1-CD2 4.06Å; V172-L174 PolarHBondContact O-N 2.81Å; L174-K176 PolarHBondContact O-N 2.88Å; L174-K176 VanDerWaalsContact O-N 3.11Å; L174-L177 HydrophobicContact CD2-CD1 4.44Å; L174-L177 WeakPolarHBondContact O-CA 3.48Å; L174-L177 WeakPolarHBondContact O-CB 3.5Å; L174-L177 PolarHBondContact O-N 3.25Å; L174-E178 PolarHBondContact O-N 2.91Å; L174-L187 HydrophobicContact CD2-CD1 4.25Å |
| 175 | W | 89.6 | Confident | 92.2 | Very high | 165 Ų | 165 | 62.5 Ų | 62.5 | 63% | 0.625 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -56.5 | -29.8 | 176.7 | 71.3 | -94.5 | 0 | 0 | 0 | 113.3 | S173 R179 | S173-W175 VanDerWaalsContact C-N 3.3Å; S173-W175 PolarHBondContact O-N 2.97Å; W175-R179 WeakPolarHBondContact O-CG 3.21Å |
| 176 | K | 91.2 | Very high | 92.2 | Very high | 35 Ų | 35 | 61.8 Ų | 61.8 | 15% | 0.152 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -80.6 | -32.7 | 177 | -174.5 | -177.9 | 179 | -175.2 | 0 | 111.3 | Y69 S173 L174 H219 | Y69-K176 WeakPolarHBondContact OH-CE 3.46Å; Y69-K176 PolarHBondContact OH-NZ 3.04Å; S173-K176 WeakPolarHBondContact O-CB 3.31Å; S173-K176 PolarHBondContact O-N 3.31Å; L174-K176 PolarHBondContact O-N 2.88Å; L174-K176 VanDerWaalsContact O-N 3.11Å; K176-H219 PolarHBondContact NZ-NE2 3.03Å; K176-H219 VanDerWaalsContact NZ-NE2 3.12Å |
| 177 | L | 92.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -74.5 | -40.5 | -179.1 | -66.3 | -173.4 | 0 | 0 | 0 | 111.4 | V172 S173 L174 R179 R180 V183 L187 S218 P221 | V172-L177 HydrophobicContact CG1-CD1 3.53Å; S173-L177 PolarHBondContact O-N 2.79Å; L174-L177 HydrophobicContact CD2-CD1 4.44Å; L174-L177 WeakPolarHBondContact O-CA 3.48Å; L174-L177 WeakPolarHBondContact O-CB 3.5Å; L174-L177 PolarHBondContact O-N 3.25Å; L177-R179 VanDerWaalsContact C-N 3.26Å; L177-R179 PolarHBondContact O-N 3.19Å; L177-R180 VanDerWaalsContact O-CB 3.31Å; L177-R180 WeakPolarHBondContact O-CB 3.47Å; L177-R180 PolarHBondContact O-N 3.45Å; L177-V183 HydrophobicContact CB-CG1 3.81Å; L177-V183 HydrophobicContact CD2-CG1 4.4Å; L177-V183 WeakPolarHBondContact O-CB 3.32Å; L177-L187 HydrophobicContact CB-CD1 4.13Å; L177-L187 HydrophobicContact CD1-CD1 3.78Å; L177-S218 VanDerWaalsContact CD2-O 3.27Å; L177-S218 WeakPolarHBondContact CD2-O 3.34Å; L177-P221 HydrophobicContact CD1-CB 4.19Å; L177-P221 HydrophobicContact CD2-CB 4.01Å; L177-P221 HydrophobicContact CD2-CG 3.84Å |
| 178 | E | 90.3 | Very high | 91.9 | Very high | 61 Ų | 61 | 62.5 Ų | 62.5 | 29% | 0.285 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.7 | -34.3 | 177.6 | 178.9 | 160.4 | -138 | 0 | 0 | 113.6 | S153 L154 L174 R180 | S153-E178 WeakPolarHBondContact CA-OE1 3.38Å; S153-E178 WeakPolarHBondContact CA-OE2 3.2Å; L154-E178 HydrophobicContact CD1-CB 3.89Å; L154-E178 HydrophobicContact CG-CB 4.1Å; L154-E178 HydrophobicContact CG-CG 4.27Å; L154-E178 PolarHBondContact N-OE1 2.9Å; L154-E178 PolarHBondContact N-OE2 3.43Å; L174-E178 PolarHBondContact O-N 2.91Å; E178-R180 PolarHBondContact O-N 3.28Å |
| 179 | R | 90.6 | Very high | 91.8 | Very high | 204 Ų | 204 | 68.7 Ų | 68.7 | 77% | 0.77 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -9.7 | 175.9 | -64.4 | 179.7 | 74.6 | -178 | 6 | 113.4 | W175 L177 | W175-R179 WeakPolarHBondContact O-CG 3.21Å; L177-R179 VanDerWaalsContact C-N 3.26Å; L177-R179 PolarHBondContact O-N 3.19Å |
| 180 | R | 91.4 | Very high | 91.7 | Very high | 49 Ų | 49 | 62.5 Ų | 62.5 | 19% | 0.185 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -95.1 | 133.5 | 177.5 | -55.2 | -176.5 | -171 | -161.3 | 9.6 | 109.5 | L177 E178 N182 V183 S218 H219 Y257 | L177-R180 VanDerWaalsContact O-CB 3.31Å; L177-R180 WeakPolarHBondContact O-CB 3.47Å; L177-R180 PolarHBondContact O-N 3.45Å; E178-R180 PolarHBondContact O-N 3.28Å; R180-N182 PolarHBondContact O-N 3.1Å; R180-V183 HydrophobicContact CB-CB 4.01Å; R180-V183 HydrophobicContact CB-CG2 3.56Å; R180-V183 PolarHBondContact O-N 2.88Å; R180-S218 PolarHBondContact NH2-O 3.05Å; R180-S218 VanDerWaalsContact NH2-O 3.1Å; R180-H219 PolarHBondContact NH1-O 3.44Å; R180-H219 PolarHBondContact NH2-O 3.26Å; R180-Y257 PolarHBondContact NH1-OH 2.95Å |
| 181 | P | 88.5 | Confident | 91.8 | Very high | 108 Ų | 108 | 62.9 Ų | 62.9 | 70% | 0.701 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 137.7 | -179.7 | 25.9 | -34.2 | 0 | 0 | 0 | 110.5 | V183 | P181-V183 PolarHBondContact O-N 3.44Š|
| 182 | N | 88.8 | Confident | 91.7 | Very high | 130 Ų | 130 | 62 Ų | 62 | 70% | 0.695 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | -4.9 | 176.9 | -49.9 | -36.4 | 0 | 0 | 0 | 116.5 | R180 S185 M186 | R180-N182 PolarHBondContact O-N 3.1Å; N182-S185 WeakPolarHBondContact CA-OG 3.35Å; N182-S185 PolarHBondContact O-OG 3.31Å; N182-M186 VanDerWaalsContact O-CB 3.24Å; N182-M186 WeakPolarHBondContact O-CB 3.46Å; N182-M186 PolarHBondContact O-N 3.22Å |
| 183 | V | 92.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -73.9 | -43.9 | -178.9 | 174.3 | 0 | 0 | 0 | 0 | 111 | L177 R180 P181 S185 M186 L187 P221 F222 | L177-V183 HydrophobicContact CB-CG1 3.81Å; L177-V183 HydrophobicContact CD2-CG1 4.4Å; L177-V183 WeakPolarHBondContact O-CB 3.32Å; R180-V183 HydrophobicContact CB-CB 4.01Å; R180-V183 HydrophobicContact CB-CG2 3.56Å; R180-V183 PolarHBondContact O-N 2.88Å; P181-V183 PolarHBondContact O-N 3.44Å; V183-S185 PolarHBondContact O-N 3.16Å; V183-M186 WeakPolarHBondContact O-CB 3.4Å; V183-M186 PolarHBondContact O-N 3.27Å; V183-M186 VanDerWaalsContact O-N 3.16Å; V183-L187 HydrophobicContact CG1-CD1 4.01Å; V183-L187 HydrophobicContact CG1-CG 4.24Å; V183-L187 VanDerWaalsContact O-CG 3.31Å; V183-L187 WeakPolarHBondContact O-CG 3.27Å; V183-L187 PolarHBondContact O-N 3.11Å; V183-P221 HydrophobicContact CG1-CB 3.95Å; V183-P221 HydrophobicContact CG1-CG 3.67Å; V183-P221 HydrophobicContact CG2-CG 4.07Å; V183-F222 HydrophobicContact CG2-CE1 4Å; V183-F222 HydrophobicContact CG2-CE2 4.32Å; V183-F222 HydrophobicContact CG2-CZ 3.58Å |
| 184 | G | 89.9 | Confident | 91.7 | Very high | 11 Ų | 11 | 72 Ų | 72 | 11% | 0.113 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.6 | -47.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M186 L187 L188 | G184-M186 VanDerWaalsContact C-N 3.3Å; G184-M186 PolarHBondContact O-N 3.02Å; G184-L187 PolarHBondContact O-N 2.86Å; G184-L188 WeakPolarHBondContact O-CG 3.49Å; G184-L188 PolarHBondContact O-N 3.38Å; G184-L188 VanDerWaalsContact O-N 3.08Å |
| 185 | S | 88.9 | Confident | 91.8 | Very high | 55 Ų | 55 | 73.3 Ų | 73.3 | 39% | 0.385 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.6 | -32.8 | 175.6 | 55.2 | 0 | 0 | 0 | 0 | 113.6 | N182 V183 R189 | N182-S185 WeakPolarHBondContact CA-OG 3.35Å; N182-S185 PolarHBondContact O-OG 3.31Å; V183-S185 PolarHBondContact O-N 3.16Å; S185-R189 VanDerWaalsContact O-CG 3.32Å; S185-R189 WeakPolarHBondContact O-CG 3.45Å |
| 186 | M | 93 | Very high | 92.1 | Very high | 31 Ų | 31 | 65.5 Ų | 65.5 | 15% | 0.153 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.1 | -49.3 | 175 | 179.3 | -160 | 81.4 | 0 | 0 | 110 | N182 V183 G184 L188 R189 L190 P221 F222 | N182-M186 VanDerWaalsContact O-CB 3.24Å; N182-M186 WeakPolarHBondContact O-CB 3.46Å; N182-M186 PolarHBondContact O-N 3.22Å; V183-M186 WeakPolarHBondContact O-CB 3.4Å; V183-M186 PolarHBondContact O-N 3.27Å; V183-M186 VanDerWaalsContact O-N 3.16Å; G184-M186 VanDerWaalsContact C-N 3.3Å; G184-M186 PolarHBondContact O-N 3.02Å; M186-L188 VanDerWaalsContact C-N 3.32Å; M186-L188 PolarHBondContact O-N 3.23Å; M186-R189 PolarHBondContact O-N 3.32Å; M186-R189 VanDerWaalsContact O-N 3.07Å; M186-L190 HydrophobicContact CE-CD1 4.47Å; M186-L190 WeakPolarHBondContact O-CG 3.49Å; M186-L190 PolarHBondContact O-N 2.78Å; M186-P221 HydrophobicContact CE-CB 4.05Å; M186-F222 HydrophobicContact SD-CD1 3.81Å; M186-F222 HydrophobicContact SD-CE1 4.15Å |
| 187 | L | 93 | Very high | 92.4 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.8 | -39.3 | -178.6 | -67.8 | 173.7 | 0 | 0 | 0 | 112.5 | L154 L164 L167 L174 L177 V183 G184 R189 L190 L224 | L154-L187 HydrophobicContact CD1-CD1 4.28Å; L164-L187 HydrophobicContact CD2-CB 4.16Å; L167-L187 HydrophobicContact CD1-CD2 4.25Å; L174-L187 HydrophobicContact CD2-CD1 4.25Å; L177-L187 HydrophobicContact CB-CD1 4.13Å; L177-L187 HydrophobicContact CD1-CD1 3.78Å; V183-L187 HydrophobicContact CG1-CD1 4.01Å; V183-L187 HydrophobicContact CG1-CG 4.24Å; V183-L187 VanDerWaalsContact O-CG 3.31Å; V183-L187 WeakPolarHBondContact O-CG 3.27Å; V183-L187 PolarHBondContact O-N 3.11Å; G184-L187 PolarHBondContact O-N 2.86Å; L187-R189 PolarHBondContact O-N 2.94Å; L187-L190 HydrophobicContact CD2-CD1 4.08Å; L187-L190 PolarHBondContact O-N 3.49Å; L187-L224 HydrophobicContact CD2-CD1 4.21Å |
| 188 | L | 90.9 | Very high | 92.7 | Very high | 70 Ų | 70 | 66.9 Ų | 66.9 | 37% | 0.366 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.5 | -22.2 | 176.8 | -74.3 | 169.8 | 0 | 0 | 0 | 113.7 | L154 Y157 L164 G184 M186 | L154-L188 HydrophobicContact CD2-CD1 3.99Å; L154-L188 HydrophobicContact CD2-CD2 4.38Å; L154-L188 HydrophobicContact CD2-CG 3.97Å; Y157-L188 HydrophobicContact CD2-CD1 4.12Å; Y157-L188 HydrophobicContact CD2-CD2 4.16Å; Y157-L188 HydrophobicContact CE2-CD1 4.23Å; Y157-L188 HydrophobicContact CG-CD2 3.91Å; L164-L188 HydrophobicContact CD1-CD2 3.67Å; G184-L188 WeakPolarHBondContact O-CG 3.49Å; G184-L188 PolarHBondContact O-N 3.38Å; G184-L188 VanDerWaalsContact O-N 3.08Å; M186-L188 VanDerWaalsContact C-N 3.32Å; M186-L188 PolarHBondContact O-N 3.23Å |
| 189 | R | 91.6 | Very high | 93 | Very high | 202 Ų | 202 | 64.1 Ų | 64.1 | 76% | 0.762 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -9.7 | 178.6 | -67.3 | 174.4 | -169.8 | -152.4 | 1.1 | 113.4 | S185 M186 L187 | S185-R189 VanDerWaalsContact O-CG 3.32Å; S185-R189 WeakPolarHBondContact O-CG 3.45Å; M186-R189 PolarHBondContact O-N 3.32Å; M186-R189 VanDerWaalsContact O-N 3.07Å; L187-R189 PolarHBondContact O-N 2.94Å |
| 190 | L | 93.8 | Very high | 93.3 | Very high | 21 Ų | 21 | 55.3 Ų | 55.3 | 11% | 0.11 | 28% | 0.281 | C | S | . | . | trans | -81.6 | 135 | -177.8 | -63.1 | 176.6 | 0 | 0 | 0 | 110.6 | T163 M186 L187 D195 V196 L224 | T163-L190 HydrophobicContact CG2-CB 4.39Å; T163-L190 PolarHBondContact OG1-O 3.02Å; T163-L190 VanDerWaalsContact OG1-O 3.04Å; M186-L190 HydrophobicContact CE-CD1 4.47Å; M186-L190 WeakPolarHBondContact O-CG 3.49Å; M186-L190 PolarHBondContact O-N 2.78Å; L187-L190 HydrophobicContact CD2-CD1 4.08Å; L187-L190 PolarHBondContact O-N 3.49Å; L190-D195 WeakPolarHBondContact CA-OD2 3.41Å; L190-D195 HydrophobicContact CB-CB 4.31Å; L190-D195 HydrophobicContact CD2-CB 3.81Å; L190-V196 HydrophobicContact CB-CG2 4.38Å; L190-V196 HydrophobicContact CD1-CG2 4.44Å; L190-L224 HydrophobicContact CD1-CB 3.96Å; L190-L224 HydrophobicContact CD1-CD1 3.95Å | ||
| 191 | D | 94.6 | Very high | 93.7 | Very high | 65 Ų | 65 | 57.9 Ų | 57.9 | 35% | 0.348 | 30% | 0.297 | S | S | . | . | trans | -89.8 | 136.9 | 165 | 177.2 | -98.7 | 0 | 0 | 0 | 110.1 | N193 R194 D195 V196 | D191-N193 PolarHBondContact O-N 3.49Å; D191-N193 PolarHBondContact OD1-N 3.21Å; D191-R194 HydrophobicContact CB-CB 4.06Å; D191-R194 WeakPolarHBondContact OD1-CB 3.38Å; D191-R194 PolarHBondContact OD1-N 2.95Å; D191-D195 PolarHBondContact N-OD2 3.47Å; D191-D195 WeakPolarHBondContact O-CA 3.39Å; D191-D195 WeakPolarHBondContact O-CB 3.49Å; D191-D195 PolarHBondContact O-N 2.96Å; D191-V196 PolarHBondContact O-N 3.25Å | ||
| 192 | F | 94.4 | Very high | 94.1 | Very high | 29 Ų | 29 | 53.2 Ų | 53.2 | 13% | 0.127 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -64.6 | -44.4 | -175.9 | -173.4 | -90.4 | 0 | 0 | 0 | 112 | T163 K166 V196 A197 L200 | T163-F192 HydrophobicContact CG2-CB 4.34Å; T163-F192 HydrophobicContact CG2-CD2 4.5Å; T163-F192 PolarHBondContact OG1-N 3.27Å; T163-F192 VanDerWaalsContact OG1-N 3.14Å; K166-F192 HydrophobicContact CB-CD2 3.67Å; K166-F192 HydrophobicContact CB-CE2 3.42Å; K166-F192 VanDerWaalsContact CB-CE2 3.42Å; K166-F192 HydrophobicContact CB-CG 4.49Å; K166-F192 HydrophobicContact CB-CZ 4.09Å; K166-F192 HydrophobicContact CD-CB 4.4Å; K166-F192 HydrophobicContact CD-CD1 3.59Å; K166-F192 HydrophobicContact CD-CD2 3.59Å; K166-F192 HydrophobicContact CD-CE1 3.65Å; K166-F192 HydrophobicContact CD-CE2 3.65Å; K166-F192 HydrophobicContact CD-CG 3.56Å; K166-F192 HydrophobicContact CD-CZ 3.68Å; K166-F192 HydrophobicContact CG-CD2 4.28Å; K166-F192 HydrophobicContact CG-CE2 4.16Å; K166-F192 HydrophobicContact CG-CZ 4.45Å; F192-V196 HydrophobicContact CD2-CB 3.98Å; F192-V196 HydrophobicContact CD2-CG1 3.98Å; F192-V196 HydrophobicContact CD2-CG2 4.48Å; F192-V196 HydrophobicContact CE2-CB 4.29Å; F192-V196 HydrophobicContact CE2-CG1 3.84Å; F192-V196 HydrophobicContact CG-CB 4.43Å; F192-V196 WeakPolarHBondContact O-CB 3.44Å; F192-V196 PolarHBondContact O-N 3.39Å; F192-A197 HydrophobicContact CD1-CB 4.35Å; F192-A197 HydrophobicContact CE1-CB 4.08Å; F192-A197 WeakPolarHBondContact O-CB 3.36Å; F192-A197 PolarHBondContact O-N 3.46Å; F192-L200 HydrophobicContact CE2-CD1 4.4Å; F192-L200 HydrophobicContact CZ-CD1 4.16Å |
| 193 | N | 94.9 | Very high | 94.6 | Very high | 99 Ų | 99 | 47 Ų | 47 | 53% | 0.529 | 23% | 0.233 | S | C | . | . | I | π-helix | trans | -78.9 | -37.5 | -172.9 | -63.4 | -44.1 | 0 | 0 | 0 | 111.7 | D191 P198 | D191-N193 PolarHBondContact O-N 3.49Å; D191-N193 PolarHBondContact OD1-N 3.21Å; N193-P198 WeakPolarHBondContact O-CD 3.15Å |
| 194 | R | 93.9 | Very high | 94.8 | Very high | 164 Ų | 164 | 52.1 Ų | 52.1 | 62% | 0.619 | 26% | 0.255 | S | S | * | . | I | π-helix | trans | -79.3 | -43.1 | -179.4 | -171.2 | -173.3 | 67.2 | -151.1 | -10.2 | 112.8 | D191 P198 | D191-R194 HydrophobicContact CB-CB 4.06Å; D191-R194 WeakPolarHBondContact OD1-CB 3.38Å; D191-R194 PolarHBondContact OD1-N 2.95Å; R194-P198 WeakPolarHBondContact O-CG 3.26Å |
| 195 | D | 93.6 | Very high | 95.2 | Very high | 41 Ų | 41 | 58.8 Ų | 58.8 | 22% | 0.219 | 28% | 0.283 | C | S | . | . | I | π-helix | trans | -108.6 | -40.9 | -167.3 | -49.9 | -45.8 | 0 | 0 | 0 | 112.3 | L190 D191 | L190-D195 WeakPolarHBondContact CA-OD2 3.41Å; L190-D195 HydrophobicContact CB-CB 4.31Å; L190-D195 HydrophobicContact CD2-CB 3.81Å; D191-D195 PolarHBondContact N-OD2 3.47Å; D191-D195 WeakPolarHBondContact O-CA 3.39Å; D191-D195 WeakPolarHBondContact O-CB 3.49Å; D191-D195 PolarHBondContact O-N 2.96Å |
| 196 | V | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | I | π-helix | trans | -87 | -53.3 | -173.1 | -177.7 | 0 | 0 | 0 | 0 | 112.5 | T163 L167 L190 D191 F192 C199 L200 L224 | T163-V196 HydrophobicContact CG2-CG2 3.94Å; L167-V196 HydrophobicContact CD2-CG1 4.04Å; L190-V196 HydrophobicContact CB-CG2 4.38Å; L190-V196 HydrophobicContact CD1-CG2 4.44Å; D191-V196 PolarHBondContact O-N 3.25Å; F192-V196 HydrophobicContact CD2-CB 3.98Å; F192-V196 HydrophobicContact CD2-CG1 3.98Å; F192-V196 HydrophobicContact CD2-CG2 4.48Å; F192-V196 HydrophobicContact CE2-CB 4.29Å; F192-V196 HydrophobicContact CE2-CG1 3.84Å; F192-V196 HydrophobicContact CG-CB 4.43Å; F192-V196 WeakPolarHBondContact O-CB 3.44Å; F192-V196 PolarHBondContact O-N 3.39Å; V196-C199 WeakPolarHBondContact O-CB 3.35Å; V196-C199 PolarHBondContact O-N 2.95Å; V196-C199 VanDerWaalsContact O-N 3.13Å; V196-L200 HydrophobicContact CG1-CD1 3.86Å; V196-L200 HydrophobicContact CG1-CG 4.06Å; V196-L200 WeakPolarHBondContact O-CG 3.17Å; V196-L200 PolarHBondContact O-N 2.61Å; V196-L224 HydrophobicContact CG1-CD2 4.14Å; V196-L224 HydrophobicContact CG2-CD1 4.4Å |
| 197 | A | 96.9 | Very high | 95.8 | Very high | 21 Ų | 21 | 58 Ų | 58 | 17% | 0.174 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.4 | -42.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | F192 C199 L200 L201 | F192-A197 HydrophobicContact CD1-CB 4.35Å; F192-A197 HydrophobicContact CE1-CB 4.08Å; F192-A197 WeakPolarHBondContact O-CB 3.36Å; F192-A197 PolarHBondContact O-N 3.46Å; A197-C199 VanDerWaalsContact C-N 3.31Å; A197-C199 PolarHBondContact O-N 3.37Å; A197-L200 PolarHBondContact O-N 3.37Å; A197-L200 VanDerWaalsContact O-N 3.15Å; A197-L201 WeakPolarHBondContact O-CG 3.17Å; A197-L201 PolarHBondContact O-N 3Å |
| 198 | P | 97.8 | Very high | 96 | Very high | 43 Ų | 43 | 58.1 Ų | 58.1 | 28% | 0.279 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.6 | -37.8 | 177.6 | -24.4 | 37.1 | 0 | 0 | 0 | 112.6 | N193 R194 F202 L228 | N193-P198 WeakPolarHBondContact O-CD 3.15Å; R194-P198 WeakPolarHBondContact O-CG 3.26Å; P198-F202 WeakPolarHBondContact O-CB 3.46Å; P198-F202 PolarHBondContact O-N 3.47Å; P198-L228 HydrophobicContact CB-CD1 3.79Å |
| 199 | C | 97.8 | Very high | 96.3 | Very high | 4 Ų | 4 | 61 Ų | 61 | 3% | 0.027 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.7 | -39.2 | 175 | -177.2 | 0 | 0 | 0 | 0 | 111.9 | V196 A197 L203 L224 | V196-C199 WeakPolarHBondContact O-CB 3.35Å; V196-C199 PolarHBondContact O-N 2.95Å; V196-C199 VanDerWaalsContact O-N 3.13Å; A197-C199 VanDerWaalsContact C-N 3.31Å; A197-C199 PolarHBondContact O-N 3.37Å; C199-L203 VanDerWaalsContact O-CG 3.32Å; C199-L203 WeakPolarHBondContact O-CG 3.47Å; C199-L203 PolarHBondContact O-N 2.9Å; C199-L224 HydrophobicContact CB-CD2 4.13Å |
| 200 | L | 97.8 | Very high | 96.5 | Very high | 19 Ų | 19 | 55.6 Ų | 55.6 | 10% | 0.099 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.7 | -44.5 | 177.1 | -63.9 | 179.8 | 0 | 0 | 0 | 111.6 | L170 F192 V196 A197 L203 K204 L213 I217 | L170-L200 HydrophobicContact CD1-CD1 3.55Å; L170-L200 HydrophobicContact CD1-CD2 4.35Å; F192-L200 HydrophobicContact CE2-CD1 4.4Å; F192-L200 HydrophobicContact CZ-CD1 4.16Å; V196-L200 HydrophobicContact CG1-CD1 3.86Å; V196-L200 HydrophobicContact CG1-CG 4.06Å; V196-L200 WeakPolarHBondContact O-CG 3.17Å; V196-L200 PolarHBondContact O-N 2.61Å; A197-L200 PolarHBondContact O-N 3.37Å; A197-L200 VanDerWaalsContact O-N 3.15Å; L200-L203 PolarHBondContact O-N 3.37Å; L200-K204 PolarHBondContact O-N 2.74Å; L200-L213 HydrophobicContact CD2-CB 4.28Å; L200-L213 HydrophobicContact CD2-CD1 4.25Å; L200-L213 HydrophobicContact CD2-CD2 4.39Å; L200-I217 HydrophobicContact CD2-CD1 3.69Å |
| 201 | L | 97.9 | Very high | 96.6 | Very high | 102 Ų | 102 | 58.9 Ų | 58.9 | 53% | 0.534 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 176.2 | -70.6 | 173 | 0 | 0 | 0 | 110.9 | A197 L203 K204 E205 | A197-L201 WeakPolarHBondContact O-CG 3.17Å; A197-L201 PolarHBondContact O-N 3Å; L201-L203 VanDerWaalsContact C-N 3.34Å; L201-L203 PolarHBondContact O-N 2.94Å; L201-K204 CarbonylContact O-C 3.6Å; L201-K204 WeakPolarHBondContact O-CB 3.48Å; L201-K204 PolarHBondContact O-N 3.19Å; L201-K204 VanDerWaalsContact O-N 3.09Å; L201-E205 WeakPolarHBondContact O-CG 3.48Å; L201-E205 PolarHBondContact O-N 3.33Å |
| 202 | F | 98.4 | Very high | 96.7 | Very high | 10 Ų | 10 | 59.1 Ų | 59.1 | 4% | 0.044 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -55.4 | -47.2 | 173.9 | 168.4 | -94.8 | 0 | 0 | 0 | 112.4 | P198 K204 E205 I206 L228 L231 Q232 V235 L259 | P198-F202 WeakPolarHBondContact O-CB 3.46Å; P198-F202 PolarHBondContact O-N 3.47Å; F202-K204 VanDerWaalsContact C-N 3.27Å; F202-K204 PolarHBondContact O-N 3.45Å; F202-E205 PolarHBondContact O-N 3.36Å; F202-I206 HydrophobicContact CE1-CD1 4.31Å; F202-I206 HydrophobicContact CE1-CG2 4.4Å; F202-I206 HydrophobicContact CE2-CG2 4.05Å; F202-I206 HydrophobicContact CZ-CG2 3.98Å; F202-I206 PolarHBondContact O-N 2.99Å; F202-I206 VanDerWaalsContact O-N 3.1Å; F202-L228 HydrophobicContact CB-CD2 4.02Å; F202-L228 HydrophobicContact CG-CD2 4.28Å; F202-L231 HydrophobicContact CD1-CB 4.35Å; F202-L231 HydrophobicContact CD1-CD1 4.11Å; F202-L231 HydrophobicContact CE1-CB 3.62Å; F202-L231 HydrophobicContact CE1-CD1 4.03Å; F202-L231 HydrophobicContact CE1-CG 4.4Å; F202-L231 HydrophobicContact CE2-CB 4.19Å; F202-L231 HydrophobicContact CZ-CB 3.51Å; F202-Q232 HydrophobicContact CE2-CB 4.18Å; F202-V235 HydrophobicContact CZ-CG2 3.9Å; F202-L259 HydrophobicContact CE1-CD1 4.07Å |
| 203 | L | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.7 | -38.3 | 178 | -72.1 | 174.3 | 0 | 0 | 0 | 111.6 | C199 L200 L201 I206 V208 L213 I216 I223 V252 | C199-L203 VanDerWaalsContact O-CG 3.32Å; C199-L203 WeakPolarHBondContact O-CG 3.47Å; C199-L203 PolarHBondContact O-N 2.9Å; L200-L203 PolarHBondContact O-N 3.37Å; L201-L203 VanDerWaalsContact C-N 3.34Å; L201-L203 PolarHBondContact O-N 2.94Å; L203-I206 HydrophobicContact CD2-CD1 4.1Å; L203-I206 WeakPolarHBondContact O-CG1 3.27Å; L203-V208 HydrophobicContact CB-CB 4.29Å; L203-V208 HydrophobicContact CB-CG2 4.45Å; L203-V208 HydrophobicContact CD2-CG2 4.43Å; L203-V208 WeakPolarHBondContact O-CB 3.33Å; L203-V208 WeakPolarHBondContact O-CG2 3.41Å; L203-V208 PolarHBondContact O-N 3.49Å; L203-L213 HydrophobicContact CB-CD2 3.68Å; L203-L213 HydrophobicContact CD1-CD2 3.85Å; L203-L213 HydrophobicContact CG-CD2 4.44Å; L203-I216 HydrophobicContact CD1-CG2 4.36Å; L203-I223 HydrophobicContact CD1-CD1 4.41Å; L203-I223 HydrophobicContact CD2-CD1 4.11Å; L203-V252 HydrophobicContact CD2-CG1 4.07Å |
| 204 | K | 97.8 | Very high | 96.9 | Very high | 107 Ų | 107 | 53.5 Ų | 53.5 | 47% | 0.465 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.2 | -42.9 | 176.1 | -172.6 | 168.3 | -173.2 | 142.1 | 0 | 112.2 | L200 L201 F202 I206 G207 D210 | L200-K204 PolarHBondContact O-N 2.74Å; L201-K204 CarbonylContact O-C 3.6Å; L201-K204 WeakPolarHBondContact O-CB 3.48Å; L201-K204 PolarHBondContact O-N 3.19Å; L201-K204 VanDerWaalsContact O-N 3.09Å; F202-K204 VanDerWaalsContact C-N 3.27Å; F202-K204 PolarHBondContact O-N 3.45Å; K204-I206 VanDerWaalsContact C-N 3.32Å; K204-I206 PolarHBondContact O-N 3.4Å; K204-G207 WeakPolarHBondContact O-CA 3.33Å; K204-G207 PolarHBondContact O-N 3.34Å; K204-D210 IonicContact NZ-OD1 3.61Å; K204-D210 PolarHBondContact NZ-OD1 3.12Å; K204-D210 IonicContact NZ-OD2 3.06Å; K204-D210 PolarHBondContact NZ-OD2 3.24Å |
| 205 | E | 97.8 | Very high | 97.1 | Very high | 152 Ų | 152 | 48.9 Ų | 48.9 | 71% | 0.71 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -60.8 | -38.1 | 177.8 | -75.4 | 171.9 | -176 | 0 | 0 | 112.6 | L201 F202 G207 | L201-E205 WeakPolarHBondContact O-CG 3.48Å; L201-E205 PolarHBondContact O-N 3.33Å; F202-E205 PolarHBondContact O-N 3.36Å; E205-G207 PolarHBondContact O-N 2.63Å |
| 206 | I | 97.1 | Very high | 97.3 | Very high | 21 Ų | 21 | 47 Ų | 47 | 11% | 0.108 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -3.8 | 174.9 | 67.7 | 166.8 | 0 | 0 | 0 | 113.1 | F202 L203 K204 V208 V235 A249 V252 L259 | F202-I206 HydrophobicContact CE1-CD1 4.31Å; F202-I206 HydrophobicContact CE1-CG2 4.4Å; F202-I206 HydrophobicContact CE2-CG2 4.05Å; F202-I206 HydrophobicContact CZ-CG2 3.98Å; F202-I206 PolarHBondContact O-N 2.99Å; F202-I206 VanDerWaalsContact O-N 3.1Å; L203-I206 HydrophobicContact CD2-CD1 4.1Å; L203-I206 WeakPolarHBondContact O-CG1 3.27Å; K204-I206 VanDerWaalsContact C-N 3.32Å; K204-I206 PolarHBondContact O-N 3.4Å; I206-V208 HydrophobicContact CD1-CG2 4.02Å; I206-V208 HydrophobicContact CG1-CG2 4.05Å; I206-V235 HydrophobicContact CD1-CG2 4.41Å; I206-V235 HydrophobicContact CG2-CG1 4.15Å; I206-V235 HydrophobicContact CG2-CG2 4.22Å; I206-A249 WeakPolarHBondContact O-CB 3.16Å; I206-V252 HydrophobicContact CD1-CB 4.41Å; I206-V252 HydrophobicContact CD1-CG1 4.22Å; I206-V252 HydrophobicContact CD1-CG2 4.18Å; I206-L259 HydrophobicContact CD1-CD1 4.32Å |
| 207 | G | 97.4 | Very high | 97.4 | Very high | 47 Ų | 47 | 47 Ų | 47 | 49% | 0.485 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 98.7 | 14.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | K204 E205 A249 | K204-G207 WeakPolarHBondContact O-CA 3.33Å; K204-G207 PolarHBondContact O-N 3.34Å; E205-G207 PolarHBondContact O-N 2.63Å; G207-A249 WeakPolarHBondContact O-CB 3.15Å |
| 208 | V | 98 | Very high | 97.3 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.024 | 24% | 0.243 | C | C | . | . | trans | -73.1 | 127.9 | 173.5 | 177.1 | 0 | 0 | 0 | 0 | 109.5 | L203 I206 R212 L213 I216 V252 | L203-V208 HydrophobicContact CB-CB 4.29Å; L203-V208 HydrophobicContact CB-CG2 4.45Å; L203-V208 HydrophobicContact CD2-CG2 4.43Å; L203-V208 WeakPolarHBondContact O-CB 3.33Å; L203-V208 WeakPolarHBondContact O-CG2 3.41Å; L203-V208 PolarHBondContact O-N 3.49Å; I206-V208 HydrophobicContact CD1-CG2 4.02Å; I206-V208 HydrophobicContact CG1-CG2 4.05Å; V208-R212 HydrophobicContact CG1-CB 3.87Å; V208-L213 HydrophobicContact CG1-CD2 4.01Å; V208-I216 HydrophobicContact CG1-CD1 3.62Å; V208-I216 HydrophobicContact CG2-CD1 4.42Å; V208-V252 HydrophobicContact CG2-CB 4.38Å; V208-V252 HydrophobicContact CG2-CG1 4.12Å | ||
| 209 | E | 96.3 | Very high | 97.3 | Very high | 130 Ų | 130 | 45.9 Ų | 45.9 | 61% | 0.607 | 24% | 0.238 | S | C | * | . | trans | -64.7 | 143.3 | 175.6 | -64.2 | 172.8 | -168.2 | 0 | 0 | 112.2 | S211 R212 | E209-S211 PolarHBondContact O-N 3.45Å; E209-S211 VanDerWaalsContact O-N 3.11Å; E209-S211 PolarHBondContact OE2-OG 3.17Å; E209-R212 HydrophobicContact CB-CG 4.2Å; E209-R212 WeakPolarHBondContact O-CB 2.98Å; E209-R212 PolarHBondContact O-N 3.41Å | ||
| 210 | D | 95.6 | Very high | 97.2 | Very high | 88 Ų | 88 | 45.7 Ų | 45.7 | 47% | 0.471 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -53.9 | -35.9 | 178.1 | -64.5 | -4.4 | 0 | 0 | 0 | 111.8 | K204 R212 L213 | K204-D210 IonicContact NZ-OD1 3.61Å; K204-D210 PolarHBondContact NZ-OD1 3.12Å; K204-D210 IonicContact NZ-OD2 3.06Å; K204-D210 PolarHBondContact NZ-OD2 3.24Å; D210-R212 PolarHBondContact O-N 3.15Å; D210-R212 VanDerWaalsContact O-N 3.1Å; D210-L213 HydrophobicContact CB-CD1 4.46Å; D210-L213 PolarHBondContact O-N 2.81Å |
| 211 | S | 96.1 | Very high | 97.1 | Very high | 90 Ų | 90 | 44.8 Ų | 44.8 | 63% | 0.629 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -59.4 | -21.3 | 176.5 | 75.5 | 0 | 0 | 0 | 0 | 114.1 | E209 | E209-S211 PolarHBondContact O-N 3.45Å; E209-S211 VanDerWaalsContact O-N 3.11Å; E209-S211 PolarHBondContact OE2-OG 3.17Å |
| 212 | R | 97.1 | Very high | 97 | Very high | 70 Ų | 70 | 44.2 Ų | 44.2 | 26% | 0.264 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -98.2 | -15.4 | -175.9 | -59.3 | -56.5 | -61.9 | -99.9 | 0.5 | 113.3 | V208 E209 D210 G214 Y215 I216 S253 | V208-R212 HydrophobicContact CG1-CB 3.87Å; E209-R212 HydrophobicContact CB-CG 4.2Å; E209-R212 WeakPolarHBondContact O-CB 2.98Å; E209-R212 PolarHBondContact O-N 3.41Å; D210-R212 PolarHBondContact O-N 3.15Å; D210-R212 VanDerWaalsContact O-N 3.1Å; R212-G214 PolarHBondContact O-N 2.89Å; R212-Y215 WeakPolarHBondContact O-CB 3.37Å; R212-Y215 PolarHBondContact O-N 2.85Å; R212-I216 WeakPolarHBondContact O-CG1 3.39Å; R212-I216 PolarHBondContact O-N 3.12Å; R212-S253 VanDerWaalsContact NH2-C 3.31Å; R212-S253 PolarHBondContact NH2-O 3.29Å |
| 213 | L | 97.2 | Very high | 96.9 | Very high | 8 Ų | 8 | 43.8 Ų | 43.8 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.3 | -48.3 | -176.6 | -61.9 | 175 | 0 | 0 | 0 | 111.5 | L200 L203 V208 D210 Y215 I216 I217 | L200-L213 HydrophobicContact CD2-CB 4.28Å; L200-L213 HydrophobicContact CD2-CD1 4.25Å; L200-L213 HydrophobicContact CD2-CD2 4.39Å; L203-L213 HydrophobicContact CB-CD2 3.68Å; L203-L213 HydrophobicContact CD1-CD2 3.85Å; L203-L213 HydrophobicContact CG-CD2 4.44Å; V208-L213 HydrophobicContact CG1-CD2 4.01Å; D210-L213 HydrophobicContact CB-CD1 4.46Å; D210-L213 PolarHBondContact O-N 2.81Å; L213-Y215 VanDerWaalsContact C-N 3.3Å; L213-Y215 PolarHBondContact O-N 3.39Å; L213-I216 PolarHBondContact O-N 3.38Å; L213-I216 VanDerWaalsContact O-N 3.16Å; L213-I217 WeakPolarHBondContact O-CG1 3.22Å; L213-I217 PolarHBondContact O-N 3.16Å |
| 214 | G | 97.1 | Very high | 96.8 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.4 | -41.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L170 R212 S218 | L170-G214 WeakPolarHBondContact O-CA 3.31Å; L170-G214 PolarHBondContact O-N 2.98Å; R212-G214 PolarHBondContact O-N 2.89Å; G214-S218 WeakPolarHBondContact O-CB 3.46Å; G214-S218 PolarHBondContact O-N 3.37Å; G214-S218 PolarHBondContact O-OG 2.76Å |
| 215 | Y | 97.3 | Very high | 96.6 | Very high | 68 Ų | 68 | 42.6 Ų | 42.6 | 27% | 0.267 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.6 | -47.5 | 175.7 | 173.2 | -93.4 | 0 | 0 | 0 | 111.7 | R212 L213 S218 H219 S253 P256 R293 | R212-Y215 WeakPolarHBondContact O-CB 3.37Å; R212-Y215 PolarHBondContact O-N 2.85Å; L213-Y215 VanDerWaalsContact C-N 3.3Å; L213-Y215 PolarHBondContact O-N 3.39Å; Y215-S218 PolarHBondContact O-N 3.13Å; Y215-H219 AromaticContact CD2-CE1 3.32Å; Y215-H219 WeakPolarHBondContact CD2-CE1 3.47Å; Y215-H219 AromaticContact CD2-ND1 3.47Å; Y215-H219 WeakPolarHBondContact CD2-ND1 3.32Å; Y215-H219 AromaticContact CE2-CE1 3.03Å; Y215-H219 WeakPolarHBondContact CE2-CE1 3.37Å; Y215-H219 AromaticContact CE2-ND1 3.38Å; Y215-H219 WeakPolarHBondContact CE2-ND1 3.38Å; Y215-H219 AromaticContact CE2-NE2 3.62Å; Y215-H219 AromaticContact CG-ND1 3.88Å; Y215-H219 AromaticContact CZ-CE1 3.7Å; Y215-H219 AromaticContact CZ-ND1 3.71Å; Y215-H219 PolarHBondContact O-N 2.67Å; Y215-H219 VanDerWaalsContact O-N 3.12Å; Y215-H219 PolarHBondContact O-ND1 2.97Å; Y215-S253 WeakPolarHBondContact CE1-O 3.18Å; Y215-P256 HydrophobicContact CD1-CG 4.02Å; Y215-P256 HydrophobicContact CE1-CG 3.53Å; Y215-R293 PolarHBondContact OH-NH2 3.4Å; Y215-R293 VanDerWaalsContact OH-NH2 3.08Å |
| 216 | I | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.6 | -51.2 | -178.6 | -69.8 | 167.6 | 0 | 0 | 0 | 110 | L203 V208 R212 L213 S218 H219 N220 I223 V252 P256 | L203-I216 HydrophobicContact CD1-CG2 4.36Å; V208-I216 HydrophobicContact CG1-CD1 3.62Å; V208-I216 HydrophobicContact CG2-CD1 4.42Å; R212-I216 WeakPolarHBondContact O-CG1 3.39Å; R212-I216 PolarHBondContact O-N 3.12Å; L213-I216 PolarHBondContact O-N 3.38Å; L213-I216 VanDerWaalsContact O-N 3.16Å; I216-S218 PolarHBondContact O-N 2.79Å; I216-H219 PolarHBondContact O-N 2.89Å; I216-H219 VanDerWaalsContact O-N 3.16Å; I216-N220 PolarHBondContact O-N 3.16Å; I216-I223 HydrophobicContact CG2-CD1 4.24Å; I216-V252 HydrophobicContact CD1-CG1 4.41Å; I216-P256 HydrophobicContact CB-CB 4.47Å; I216-P256 HydrophobicContact CG1-CG 4.39Å; I216-P256 HydrophobicContact CG2-CB 4.18Å |
| 217 | I | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.4 | -42.2 | -178 | -63.6 | 167.9 | 0 | 0 | 0 | 111.1 | L167 V172 L200 L213 H219 N220 P221 L224 | L167-I217 HydrophobicContact CD2-CD1 4.24Å; L167-I217 HydrophobicContact CD2-CG2 4.47Å; V172-I217 HydrophobicContact CG1-CG2 3.92Å; V172-I217 HydrophobicContact CG2-CB 3.93Å; V172-I217 HydrophobicContact CG2-CD1 4.33Å; V172-I217 HydrophobicContact CG2-CG2 3.87Å; L200-I217 HydrophobicContact CD2-CD1 3.69Å; L213-I217 WeakPolarHBondContact O-CG1 3.22Å; L213-I217 PolarHBondContact O-N 3.16Å; I217-H219 PolarHBondContact O-N 3.12Å; I217-H219 VanDerWaalsContact O-N 3.16Å; I217-N220 CarbonylContact O-C 3.33Å; I217-N220 PolarHBondContact O-N 3.49Å; I217-P221 WeakPolarHBondContact O-CA 3.36Å; I217-P221 WeakPolarHBondContact O-CD 3.48Å; I217-L224 HydrophobicContact CD1-CD2 4.14Å; I217-L224 HydrophobicContact CG1-CD2 4.31Å; I217-L224 HydrophobicContact CG2-CD1 3.93Å |
| 218 | S | 96.7 | Very high | 96.4 | Very high | 4 Ų | 4 | 42 Ų | 42 | 3% | 0.028 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.8 | -28.2 | 176.5 | -61.9 | 0 | 0 | 0 | 0 | 113.3 | V172 S173 L177 R180 G214 Y215 I216 | V172-S218 WeakPolarHBondContact CA-OG 3.03Å; S173-S218 PolarHBondContact N-OG 2.95Å; L177-S218 VanDerWaalsContact CD2-O 3.27Å; L177-S218 WeakPolarHBondContact CD2-O 3.34Å; R180-S218 PolarHBondContact NH2-O 3.05Å; R180-S218 VanDerWaalsContact NH2-O 3.1Å; G214-S218 WeakPolarHBondContact O-CB 3.46Å; G214-S218 PolarHBondContact O-N 3.37Å; G214-S218 PolarHBondContact O-OG 2.76Å; Y215-S218 PolarHBondContact O-N 3.13Å; I216-S218 PolarHBondContact O-N 2.79Å |
| 219 | H | 95.9 | Very high | 96.3 | Very high | 37 Ų | 37 | 49.1 Ų | 49.1 | 17% | 0.171 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -92.7 | -40.7 | 179.8 | -74 | 77.4 | 0 | 0 | 0 | 112 | K176 R180 Y215 I216 I217 P256 Y257 | K176-H219 PolarHBondContact NZ-NE2 3.03Å; K176-H219 VanDerWaalsContact NZ-NE2 3.12Å; R180-H219 PolarHBondContact NH1-O 3.44Å; R180-H219 PolarHBondContact NH2-O 3.26Å; Y215-H219 AromaticContact CD2-CE1 3.32Å; Y215-H219 WeakPolarHBondContact CD2-CE1 3.47Å; Y215-H219 AromaticContact CD2-ND1 3.47Å; Y215-H219 WeakPolarHBondContact CD2-ND1 3.32Å; Y215-H219 AromaticContact CE2-CE1 3.03Å; Y215-H219 WeakPolarHBondContact CE2-CE1 3.37Å; Y215-H219 AromaticContact CE2-ND1 3.38Å; Y215-H219 WeakPolarHBondContact CE2-ND1 3.38Å; Y215-H219 AromaticContact CE2-NE2 3.62Å; Y215-H219 AromaticContact CG-ND1 3.88Å; Y215-H219 AromaticContact CZ-CE1 3.7Å; Y215-H219 AromaticContact CZ-ND1 3.71Å; Y215-H219 PolarHBondContact O-N 2.67Å; Y215-H219 VanDerWaalsContact O-N 3.12Å; Y215-H219 PolarHBondContact O-ND1 2.97Å; I216-H219 PolarHBondContact O-N 2.89Å; I216-H219 VanDerWaalsContact O-N 3.16Å; I217-H219 PolarHBondContact O-N 3.12Å; I217-H219 VanDerWaalsContact O-N 3.16Å; H219-P256 HydrophobicContact CB-CB 3.87Å; H219-P256 HydrophobicContact CB-CG 3.71Å; H219-Y257 WeakPolarHBondContact O-CE2 3.4Å; H219-Y257 VanDerWaalsContact O-CZ 3.3Å; H219-Y257 PolarHBondContact O-OH 3.34Å |
| 220 | N | 96.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | trans | -133 | 82 | -180 | -175.5 | 20.2 | 0 | 0 | 0 | 110.7 | I216 I217 F222 I223 P256 Y257 S260 | I216-N220 PolarHBondContact O-N 3.16Å; I217-N220 CarbonylContact O-C 3.33Å; I217-N220 PolarHBondContact O-N 3.49Å; N220-F222 PolarHBondContact O-N 3.15Å; N220-I223 WeakPolarHBondContact O-CG2 3.14Å; N220-I223 PolarHBondContact O-N 2.99Å; N220-P256 HydrophobicContact CB-CB 3.86Å; N220-P256 PolarHBondContact ND2-O 3.47Å; N220-Y257 HydrophobicContact CB-CD1 3.98Å; N220-Y257 HydrophobicContact CB-CD2 4.31Å; N220-Y257 HydrophobicContact CB-CE1 3.82Å; N220-Y257 HydrophobicContact CB-CE2 4.16Å; N220-Y257 HydrophobicContact CB-CG 4.24Å; N220-Y257 VanDerWaalsContact CG-CD1 3.49Å; N220-Y257 VanDerWaalsContact CG-CE1 3.45Å; N220-Y257 WeakPolarHBondContact OD1-CE1 3.35Å; N220-S260 PolarHBondContact ND2-OG 3.35Å | ||
| 221 | P | 96 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -68.8 | -22 | -179 | 31.3 | -39.5 | 0 | 0 | 0 | 112.5 | L177 V183 M186 I217 I223 L224 | L177-P221 HydrophobicContact CD1-CB 4.19Å; L177-P221 HydrophobicContact CD2-CB 4.01Å; L177-P221 HydrophobicContact CD2-CG 3.84Å; V183-P221 HydrophobicContact CG1-CB 3.95Å; V183-P221 HydrophobicContact CG1-CG 3.67Å; V183-P221 HydrophobicContact CG2-CG 4.07Å; M186-P221 HydrophobicContact CE-CB 4.05Å; I217-P221 WeakPolarHBondContact O-CA 3.36Å; I217-P221 WeakPolarHBondContact O-CD 3.48Å; P221-I223 PolarHBondContact O-N 3.47Å; P221-L224 WeakPolarHBondContact O-CB 3.22Å; P221-L224 PolarHBondContact O-N 3.33Å |
| 222 | F | 95.3 | Very high | 96.6 | Very high | 89 Ų | 89 | 41.7 Ų | 41.7 | 39% | 0.39 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -68.6 | -13.5 | -178.5 | -56.1 | -70 | 0 | 0 | 0 | 113.5 | V183 M186 N220 L224 S225 E226 | V183-F222 HydrophobicContact CG2-CE1 4Å; V183-F222 HydrophobicContact CG2-CE2 4.32Å; V183-F222 HydrophobicContact CG2-CZ 3.58Å; M186-F222 HydrophobicContact SD-CD1 3.81Å; M186-F222 HydrophobicContact SD-CE1 4.15Å; N220-F222 PolarHBondContact O-N 3.15Å; F222-L224 PolarHBondContact O-N 3.04Å; F222-S225 PolarHBondContact O-N 2.91Å; F222-E226 PolarHBondContact O-N 2.89Å |
| 223 | I | 96.4 | Very high | 96.6 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -59.9 | -28.9 | 173 | -161.6 | 169.7 | 0 | 0 | 0 | 111.9 | L203 I216 N220 P221 S225 E226 L231 | L203-I223 HydrophobicContact CD1-CD1 4.41Å; L203-I223 HydrophobicContact CD2-CD1 4.11Å; I216-I223 HydrophobicContact CG2-CD1 4.24Å; N220-I223 WeakPolarHBondContact O-CG2 3.14Å; N220-I223 PolarHBondContact O-N 2.99Å; P221-I223 PolarHBondContact O-N 3.47Å; I223-S225 PolarHBondContact O-N 3.28Å; I223-E226 PolarHBondContact O-N 3.29Å; I223-L231 HydrophobicContact CG1-CD1 4.33Å; I223-L231 HydrophobicContact CG1-CD2 4.39Å |
| 224 | L | 96.1 | Very high | 96.7 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -70.6 | -11.8 | 177.1 | -59 | 177.2 | 0 | 0 | 0 | 113.2 | L187 L190 V196 C199 I217 P221 F222 | L187-L224 HydrophobicContact CD2-CD1 4.21Å; L190-L224 HydrophobicContact CD1-CB 3.96Å; L190-L224 HydrophobicContact CD1-CD1 3.95Å; V196-L224 HydrophobicContact CG1-CD2 4.14Å; V196-L224 HydrophobicContact CG2-CD1 4.4Å; C199-L224 HydrophobicContact CB-CD2 4.13Å; I217-L224 HydrophobicContact CD1-CD2 4.14Å; I217-L224 HydrophobicContact CG1-CD2 4.31Å; I217-L224 HydrophobicContact CG2-CD1 3.93Å; P221-L224 WeakPolarHBondContact O-CB 3.22Å; P221-L224 PolarHBondContact O-N 3.33Å; F222-L224 PolarHBondContact O-N 3.04Å |
| 225 | S | 93.1 | Very high | 96.8 | Very high | 73 Ų | 73 | 41.7 Ų | 41.7 | 51% | 0.51 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -111.9 | 3 | 178.2 | -52.5 | 0 | 0 | 0 | 0 | 112.5 | F222 I223 | F222-S225 PolarHBondContact O-N 2.91Å; I223-S225 PolarHBondContact O-N 3.28Å |
| 226 | E | 94.9 | Very high | 96.8 | Very high | 61 Ų | 61 | 42.6 Ų | 42.6 | 29% | 0.285 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -82.6 | 143.3 | 175.9 | -75.4 | -77.4 | 164.5 | 0 | 0 | 110.5 | F222 I223 L231 R234 | F222-E226 PolarHBondContact O-N 2.89Å; I223-E226 PolarHBondContact O-N 3.29Å; E226-L231 HydrophobicContact CB-CD1 4.24Å; E226-L231 HydrophobicContact CB-CD2 3.97Å; E226-L231 HydrophobicContact CB-CG 4.09Å; E226-L231 HydrophobicContact CG-CD2 4.44Å; E226-R234 IonicContact OE1-NH1 3.18Å; E226-R234 IonicContact OE2-CZ 3.13Å; E226-R234 IonicContact OE2-NH1 3.44Å; E226-R234 PolarHBondContact OE2-NH1 2.99Å; E226-R234 IonicContact OE2-NH2 2.79Å; E226-R234 PolarHBondContact OE2-NH2 3.25Å |
| 227 | N | 95.7 | Very high | 96.8 | Very high | 78 Ų | 78 | 43.4 Ų | 43.4 | 42% | 0.417 | 23% | 0.227 | S | C | . | . | trans | -68.4 | 133.7 | 173.9 | 172.7 | -64.2 | 0 | 0 | 0 | 110.4 | E229 N230 L231 | N227-E229 VanDerWaalsContact C-N 3.35Å; N227-E229 PolarHBondContact O-N 3.3Å; N227-E229 WeakPolarHBondContact OD1-CA 3.44Å; N227-E229 WeakPolarHBondContact OD1-CB 3.37Å; N227-E229 PolarHBondContact OD1-N 2.7Å; N227-N230 HydrophobicContact CB-CB 4.43Å; N227-N230 WeakPolarHBondContact O-CB 3.45Å; N227-N230 PolarHBondContact O-N 2.87Å; N227-N230 VanDerWaalsContact O-N 3.15Å; N227-N230 PolarHBondContact OD1-N 3.09Å; N227-L231 PolarHBondContact O-N 3.47Å; N227-L231 VanDerWaalsContact O-N 3.12Å | ||
| 228 | L | 96.8 | Very high | 96.9 | Very high | 69 Ų | 69 | 43.4 Ų | 43.4 | 36% | 0.361 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.1 | -36.6 | -177 | -65.8 | 179.3 | 0 | 0 | 0 | 113.4 | P198 F202 N230 L231 Q232 | P198-L228 HydrophobicContact CB-CD1 3.79Å; F202-L228 HydrophobicContact CB-CD2 4.02Å; F202-L228 HydrophobicContact CG-CD2 4.28Å; L228-N230 VanDerWaalsContact C-N 3.29Å; L228-N230 PolarHBondContact O-N 3.33Å; L228-L231 HydrophobicContact CD2-CD1 4.21Å; L228-L231 PolarHBondContact O-N 2.86Å; L228-Q232 WeakPolarHBondContact O-CB 3.36Å; L228-Q232 PolarHBondContact O-N 3.49Å |
| 229 | E | 97.3 | Very high | 96.9 | Very high | 154 Ų | 154 | 46.6 Ų | 46.6 | 72% | 0.72 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -63 | -39.1 | 176.5 | -53.2 | 176.8 | 169.9 | 0 | 0 | 110.8 | N227 Q232 A233 | N227-E229 VanDerWaalsContact C-N 3.35Å; N227-E229 PolarHBondContact O-N 3.3Å; N227-E229 WeakPolarHBondContact OD1-CA 3.44Å; N227-E229 WeakPolarHBondContact OD1-CB 3.37Å; N227-E229 PolarHBondContact OD1-N 2.7Å; E229-Q232 PolarHBondContact O-N 3.23Å; E229-A233 WeakPolarHBondContact O-CB 3.42Å; E229-A233 PolarHBondContact O-N 3.43Å |
| 230 | N | 97.3 | Very high | 97 | Very high | 81 Ų | 81 | 48.3 Ų | 48.3 | 43% | 0.433 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 174.6 | -77 | -35.4 | 0 | 0 | 0 | 111.7 | N227 L228 A233 R234 | N227-N230 HydrophobicContact CB-CB 4.43Å; N227-N230 WeakPolarHBondContact O-CB 3.45Å; N227-N230 PolarHBondContact O-N 2.87Å; N227-N230 VanDerWaalsContact O-N 3.15Å; N227-N230 PolarHBondContact OD1-N 3.09Å; L228-N230 VanDerWaalsContact C-N 3.29Å; L228-N230 PolarHBondContact O-N 3.33Å; N230-A233 PolarHBondContact O-N 3.24Å; N230-R234 VanDerWaalsContact O-CD 3.31Å; N230-R234 WeakPolarHBondContact O-CD 3.43Å; N230-R234 WeakPolarHBondContact O-CG 3.45Å; N230-R234 PolarHBondContact O-N 3.17Å; N230-R234 VanDerWaalsContact O-N 3.14Å; N230-R234 PolarHBondContact O-NE 3.49Å |
| 231 | L | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 175.3 | -63.6 | 177.3 | 0 | 0 | 0 | 111 | F202 I223 E226 N227 L228 A233 R234 V235 L259 | F202-L231 HydrophobicContact CD1-CB 4.35Å; F202-L231 HydrophobicContact CD1-CD1 4.11Å; F202-L231 HydrophobicContact CE1-CB 3.62Å; F202-L231 HydrophobicContact CE1-CD1 4.03Å; F202-L231 HydrophobicContact CE1-CG 4.4Å; F202-L231 HydrophobicContact CE2-CB 4.19Å; F202-L231 HydrophobicContact CZ-CB 3.51Å; I223-L231 HydrophobicContact CG1-CD1 4.33Å; I223-L231 HydrophobicContact CG1-CD2 4.39Å; E226-L231 HydrophobicContact CB-CD1 4.24Å; E226-L231 HydrophobicContact CB-CD2 3.97Å; E226-L231 HydrophobicContact CB-CG 4.09Å; E226-L231 HydrophobicContact CG-CD2 4.44Å; N227-L231 PolarHBondContact O-N 3.47Å; N227-L231 VanDerWaalsContact O-N 3.12Å; L228-L231 HydrophobicContact CD2-CD1 4.21Å; L228-L231 PolarHBondContact O-N 2.86Å; L231-A233 PolarHBondContact O-N 2.93Å; L231-R234 WeakPolarHBondContact O-CB 3.36Å; L231-R234 PolarHBondContact O-N 2.93Å; L231-V235 WeakPolarHBondContact O-CG2 3.22Å; L231-V235 PolarHBondContact O-N 3.48Å; L231-L259 HydrophobicContact CD2-CB 3.86Å |
| 232 | Q | 98.3 | Very high | 97.2 | Very high | 71 Ų | 71 | 61.4 Ų | 61.4 | 33% | 0.332 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 177 | -172.8 | 63.1 | 50.6 | 0 | 0 | 111.6 | F202 L228 E229 R234 V235 N236 | F202-Q232 HydrophobicContact CE2-CB 4.18Å; L228-Q232 WeakPolarHBondContact O-CB 3.36Å; L228-Q232 PolarHBondContact O-N 3.49Å; E229-Q232 PolarHBondContact O-N 3.23Å; Q232-R234 VanDerWaalsContact C-N 3.28Å; Q232-R234 PolarHBondContact O-N 3.03Å; Q232-V235 PolarHBondContact O-N 3.14Å; Q232-N236 PolarHBondContact NE2-OD1 3.23Å; Q232-N236 WeakPolarHBondContact O-CB 3.5Å; Q232-N236 PolarHBondContact O-N 3.15Å; Q232-N236 PolarHBondContact O-OD1 3.22Å |
| 233 | A | 98.3 | Very high | 97.3 | Very high | 46 Ų | 46 | 57.6 Ų | 57.6 | 38% | 0.38 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.4 | -38.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E229 N230 L231 Y237 | E229-A233 WeakPolarHBondContact O-CB 3.42Å; E229-A233 PolarHBondContact O-N 3.43Å; N230-A233 PolarHBondContact O-N 3.24Å; L231-A233 PolarHBondContact O-N 2.93Å; A233-Y237 WeakPolarHBondContact O-CB 3.36Å; A233-Y237 PolarHBondContact O-N 3.16Å |
| 234 | R | 98.4 | Very high | 97.4 | Very high | 24 Ų | 24 | 60.1 Ų | 60.1 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.6 | -38.7 | 176.6 | -65.2 | 162.1 | -164.1 | 164.9 | 2.9 | 111.4 | E226 N230 L231 Q232 L238 L259 F261 V263 | E226-R234 IonicContact OE1-NH1 3.18Å; E226-R234 IonicContact OE2-CZ 3.13Å; E226-R234 IonicContact OE2-NH1 3.44Å; E226-R234 PolarHBondContact OE2-NH1 2.99Å; E226-R234 IonicContact OE2-NH2 2.79Å; E226-R234 PolarHBondContact OE2-NH2 3.25Å; N230-R234 VanDerWaalsContact O-CD 3.31Å; N230-R234 WeakPolarHBondContact O-CD 3.43Å; N230-R234 WeakPolarHBondContact O-CG 3.45Å; N230-R234 PolarHBondContact O-N 3.17Å; N230-R234 VanDerWaalsContact O-N 3.14Å; N230-R234 PolarHBondContact O-NE 3.49Å; L231-R234 WeakPolarHBondContact O-CB 3.36Å; L231-R234 PolarHBondContact O-N 2.93Å; Q232-R234 VanDerWaalsContact C-N 3.28Å; Q232-R234 PolarHBondContact O-N 3.03Å; R234-L238 WeakPolarHBondContact O-CG 3.45Å; R234-L238 PolarHBondContact O-N 3.32Å; R234-L259 HydrophobicContact CB-CD2 4.13Å; R234-L259 WeakPolarHBondContact CD-O 3.3Å; R234-L259 PolarHBondContact NE-O 3Å; R234-L259 PolarHBondContact NH1-O 2.9Å; R234-F261 WeakPolarHBondContact CD-O 3.47Å; R234-V263 HydrophobicContact CG-CG2 4.28Å |
| 235 | V | 98.5 | Very high | 97.4 | Very high | 10 Ų | 10 | 64 Ų | 64 | 6% | 0.061 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.2 | -48.7 | 173.6 | 169.6 | 0 | 0 | 0 | 0 | 111 | F202 I206 L231 Q232 Y237 L238 T239 V248 L259 | F202-V235 HydrophobicContact CZ-CG2 3.9Å; I206-V235 HydrophobicContact CD1-CG2 4.41Å; I206-V235 HydrophobicContact CG2-CG1 4.15Å; I206-V235 HydrophobicContact CG2-CG2 4.22Å; L231-V235 WeakPolarHBondContact O-CG2 3.22Å; L231-V235 PolarHBondContact O-N 3.48Å; Q232-V235 PolarHBondContact O-N 3.14Å; V235-Y237 PolarHBondContact O-N 3.46Å; V235-L238 WeakPolarHBondContact O-CB 3.47Å; V235-L238 PolarHBondContact O-N 3.1Å; V235-T239 PolarHBondContact O-N 2.91Å; V235-T239 PolarHBondContact O-OG1 3.47Å; V235-V248 HydrophobicContact CG1-CG1 4.29Å; V235-L259 HydrophobicContact CG2-CD1 4.07Å; V235-L259 HydrophobicContact CG2-CD2 3.89Å |
| 236 | N | 98.5 | Very high | 97.7 | Very high | 86 Ų | 86 | 68 Ų | 68 | 46% | 0.46 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.1 | -39.7 | 177 | -71 | -8.3 | 0 | 0 | 0 | 111.7 | Q232 T239 S240 | Q232-N236 PolarHBondContact NE2-OD1 3.23Å; Q232-N236 WeakPolarHBondContact O-CB 3.5Å; Q232-N236 PolarHBondContact O-N 3.15Å; Q232-N236 PolarHBondContact O-OD1 3.22Å; N236-T239 PolarHBondContact O-N 2.9Å; N236-S240 WeakPolarHBondContact O-CB 3.33Å; N236-S240 PolarHBondContact O-N 3.23Å |
| 237 | Y | 98.6 | Very high | 97.8 | Very high | 17 Ų | 17 | 67 Ų | 67 | 7% | 0.067 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.5 | -47.9 | 173.4 | 168.3 | -98 | 0 | 0 | 0 | 112 | A233 V235 T239 S240 R241 V263 L266 D267 L270 | A233-Y237 WeakPolarHBondContact O-CB 3.36Å; A233-Y237 PolarHBondContact O-N 3.16Å; V235-Y237 PolarHBondContact O-N 3.46Å; Y237-T239 VanDerWaalsContact C-N 3.32Å; Y237-T239 PolarHBondContact O-N 3.46Å; Y237-S240 WeakPolarHBondContact O-CB 3.47Å; Y237-S240 PolarHBondContact O-N 3.2Å; Y237-S240 PolarHBondContact O-OG 2.93Å; Y237-R241 HydrophobicContact CD2-CG 4.44Å; Y237-R241 HydrophobicContact CE1-CG 4.08Å; Y237-R241 HydrophobicContact CE2-CG 3.87Å; Y237-R241 WeakPolarHBondContact O-CG 3.48Å; Y237-R241 PolarHBondContact O-N 2.96Å; Y237-R241 VanDerWaalsContact O-N 3.07Å; Y237-R241 PolarHBondContact OH-NE 2.95Å; Y237-V263 HydrophobicContact CD1-CG1 4.45Å; Y237-V263 HydrophobicContact CD2-CG1 3.45Å; Y237-V263 VanDerWaalsContact CD2-CG1 3.45Å; Y237-V263 HydrophobicContact CE2-CG1 4.03Å; Y237-V263 HydrophobicContact CG-CB 4.46Å; Y237-V263 HydrophobicContact CG-CG1 3.69Å; Y237-V263 HydrophobicContact CG-CG2 4.35Å; Y237-L266 HydrophobicContact CD1-CB 4.13Å; Y237-L266 HydrophobicContact CD1-CD1 4.13Å; Y237-L266 HydrophobicContact CE1-CB 3.67Å; Y237-L266 HydrophobicContact CE1-CD1 4.47Å; Y237-D267 HydrophobicContact CE2-CB 4.06Å; Y237-D267 WeakPolarHBondContact OH-CA 3.36Å; Y237-D267 VanDerWaalsContact OH-CB 3.24Å; Y237-D267 WeakPolarHBondContact OH-CB 3.16Å; Y237-D267 PolarHBondContact OH-N 3.47Å; Y237-D267 PolarHBondContact OH-OD1 2.89Å; Y237-L270 HydrophobicContact CE1-CD1 3.99Å; Y237-L270 WeakPolarHBondContact OH-CD1 3.24Å |
| 238 | L | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 177.1 | -65.7 | 171.7 | 0 | 0 | 0 | 110.8 | R234 V235 S240 R241 F243 V248 L258 L259 | R234-L238 WeakPolarHBondContact O-CG 3.45Å; R234-L238 PolarHBondContact O-N 3.32Å; V235-L238 WeakPolarHBondContact O-CB 3.47Å; V235-L238 PolarHBondContact O-N 3.1Å; L238-S240 VanDerWaalsContact C-N 3.34Å; L238-S240 PolarHBondContact O-N 3.29Å; L238-R241 CarbonylContact O-C 3.58Å; L238-R241 WeakPolarHBondContact O-CA 3.04Å; L238-R241 WeakPolarHBondContact O-CB 3.29Å; L238-R241 PolarHBondContact O-N 2.83Å; L238-F243 HydrophobicContact CB-CD2 4.36Å; L238-F243 HydrophobicContact CD2-CD2 4.38Å; L238-F243 HydrophobicContact CD2-CE2 4.46Å; L238-F243 VanDerWaalsContact O-CD2 3.3Å; L238-F243 WeakPolarHBondContact O-CD2 3.47Å; L238-F243 PolarHBondContact O-N 3.02Å; L238-V248 HydrophobicContact CB-CG2 3.8Å; L238-V248 HydrophobicContact CD1-CG1 4.02Å; L238-V248 HydrophobicContact CD1-CG2 4.44Å; L238-L258 HydrophobicContact CD1-CD2 4.1Å; L238-L259 HydrophobicContact CD1-CD2 4.42Å |
| 239 | T | 97.7 | Very high | 98 | Very high | 71 Ų | 71 | 60.4 Ų | 60.4 | 44% | 0.436 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 175.3 | -52.6 | 0 | 0 | 0 | 0 | 111.8 | V235 N236 Y237 R241 K242 | V235-T239 PolarHBondContact O-N 2.91Å; V235-T239 PolarHBondContact O-OG1 3.47Å; N236-T239 PolarHBondContact O-N 2.9Å; Y237-T239 VanDerWaalsContact C-N 3.32Å; Y237-T239 PolarHBondContact O-N 3.46Å; T239-R241 PolarHBondContact O-N 3.14Å; T239-K242 WeakPolarHBondContact O-CA 3.24Å; T239-K242 PolarHBondContact O-N 2.92Å |
| 240 | S | 97.9 | Very high | 98.1 | Very high | 74 Ų | 74 | 55.5 Ų | 55.5 | 52% | 0.517 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.5 | -25.5 | 175.6 | 83.3 | 0 | 0 | 0 | 0 | 113.1 | N236 Y237 L238 K242 | N236-S240 WeakPolarHBondContact O-CB 3.33Å; N236-S240 PolarHBondContact O-N 3.23Å; Y237-S240 WeakPolarHBondContact O-CB 3.47Å; Y237-S240 PolarHBondContact O-N 3.2Å; Y237-S240 PolarHBondContact O-OG 2.93Å; L238-S240 VanDerWaalsContact C-N 3.34Å; L238-S240 PolarHBondContact O-N 3.29Å; S240-K242 PolarHBondContact O-N 3.29Å |
| 241 | R | 97.5 | Very high | 98.1 | Very high | 110 Ų | 110 | 51.6 Ų | 51.6 | 42% | 0.415 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 16.2 | 173.6 | -65.3 | -63.6 | -177 | -123.7 | 6.8 | 112.8 | Y237 L238 T239 F243 D267 L270 R285 | Y237-R241 HydrophobicContact CD2-CG 4.44Å; Y237-R241 HydrophobicContact CE1-CG 4.08Å; Y237-R241 HydrophobicContact CE2-CG 3.87Å; Y237-R241 WeakPolarHBondContact O-CG 3.48Å; Y237-R241 PolarHBondContact O-N 2.96Å; Y237-R241 VanDerWaalsContact O-N 3.07Å; Y237-R241 PolarHBondContact OH-NE 2.95Å; L238-R241 CarbonylContact O-C 3.58Å; L238-R241 WeakPolarHBondContact O-CA 3.04Å; L238-R241 WeakPolarHBondContact O-CB 3.29Å; L238-R241 PolarHBondContact O-N 2.83Å; T239-R241 PolarHBondContact O-N 3.14Å; R241-F243 VanDerWaalsContact C-N 3.34Å; R241-F243 HydrophobicContact CB-CD2 4.02Å; R241-F243 HydrophobicContact CB-CE2 4.04Å; R241-F243 PolarHBondContact O-N 3.3Å; R241-D267 IonicContact CZ-OD1 2.72Å; R241-D267 IonicContact NE-OD1 3.38Å; R241-D267 PolarHBondContact NE-OD1 3.01Å; R241-D267 IonicContact NH2-OD1 2.88Å; R241-D267 PolarHBondContact NH2-OD1 3.23Å; R241-D267 IonicContact NH2-OD2 3.19Å; R241-L270 HydrophobicContact CG-CD1 4.33Å; R241-R285 WeakPolarHBondContact O-CD 3.26Å |
| 242 | K | 97.8 | Very high | 98.2 | Very high | 165 Ų | 165 | 51.7 Ų | 51.7 | 72% | 0.717 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 30.6 | 176.2 | -50.8 | -172.5 | 176.5 | -171.2 | 0 | 114 | T239 S240 | T239-K242 WeakPolarHBondContact O-CA 3.24Å; T239-K242 PolarHBondContact O-N 2.92Å; S240-K242 PolarHBondContact O-N 3.29Å |
| 243 | F | 98.3 | Very high | 98.1 | Very high | 9 Ų | 9 | 48.8 Ų | 48.8 | 4% | 0.039 | 27% | 0.271 | C | S | . | . | trans | -83.7 | 132.6 | 161.6 | -66.3 | -82.5 | 0 | 0 | 0 | 108.4 | L238 R241 T247 V248 M251 L270 R285 V288 A289 | L238-F243 HydrophobicContact CB-CD2 4.36Å; L238-F243 HydrophobicContact CD2-CD2 4.38Å; L238-F243 HydrophobicContact CD2-CE2 4.46Å; L238-F243 VanDerWaalsContact O-CD2 3.3Å; L238-F243 WeakPolarHBondContact O-CD2 3.47Å; L238-F243 PolarHBondContact O-N 3.02Å; R241-F243 VanDerWaalsContact C-N 3.34Å; R241-F243 HydrophobicContact CB-CD2 4.02Å; R241-F243 HydrophobicContact CB-CE2 4.04Å; R241-F243 PolarHBondContact O-N 3.3Å; F243-T247 HydrophobicContact CD1-CG2 3.85Å; F243-V248 HydrophobicContact CB-CG2 3.72Å; F243-M251 HydrophobicContact CD1-SD 3.81Å; F243-M251 HydrophobicContact CE1-CE 4.39Å; F243-M251 HydrophobicContact CE1-SD 3.89Å; F243-M251 HydrophobicContact CG-SD 4.46Å; F243-L270 HydrophobicContact CE2-CD1 4.35Å; F243-L270 HydrophobicContact CE2-CD2 4.41Å; F243-L270 HydrophobicContact CZ-CD2 4.23Å; F243-R285 HydrophobicContact CE1-CB 3.77Å; F243-R285 HydrophobicContact CE1-CG 3.94Å; F243-R285 HydrophobicContact CE2-CG 4.07Å; F243-R285 HydrophobicContact CZ-CB 3.92Å; F243-R285 HydrophobicContact CZ-CG 3.62Å; F243-V288 HydrophobicContact CE1-CG2 3.84Å; F243-V288 HydrophobicContact CZ-CG2 3.54Å; F243-A289 HydrophobicContact CE1-CB 4.24Å | ||
| 244 | S | 98.1 | Very high | 98.1 | Very high | 56 Ų | 56 | 49.5 Ų | 49.5 | 39% | 0.392 | 26% | 0.263 | S | S | . | . | trans | -66.9 | 155.7 | 172.8 | 66.1 | 0 | 0 | 0 | 0 | 110.3 | E246 T247 V248 | S244-E246 VanDerWaalsContact C-N 3.27Å; S244-E246 PolarHBondContact O-N 3.02Å; S244-T247 WeakPolarHBondContact O-CA 3.01Å; S244-T247 WeakPolarHBondContact O-CB 3.4Å; S244-T247 PolarHBondContact O-N 3.18Å; S244-T247 WeakPolarHBondContact OG-CB 3.33Å; S244-T247 PolarHBondContact OG-N 3.35Å; S244-T247 VanDerWaalsContact OG-N 3.13Å; S244-T247 PolarHBondContact OG-OG1 3.46Å; S244-V248 WeakPolarHBondContact O-CG2 3.27Å; S244-V248 PolarHBondContact O-N 3.49Å | ||
| 245 | S | 97.4 | Very high | 98 | Very high | 90 Ų | 90 | 48.5 Ų | 48.5 | 63% | 0.629 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -51.7 | -46.9 | 174 | 40.3 | 0 | 0 | 0 | 0 | 111.8 | T247 V248 A249 | S245-T247 VanDerWaalsContact C-N 3.34Å; S245-T247 PolarHBondContact O-N 3.14Å; S245-V248 PolarHBondContact O-N 2.84Å; S245-A249 PolarHBondContact O-N 3.19Å |
| 246 | E | 97.9 | Very high | 97.9 | Very high | 155 Ų | 155 | 48.4 Ų | 48.4 | 72% | 0.724 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -58.4 | -43 | 174.7 | -172.6 | -169.2 | 171.8 | 0 | 0 | 112.5 | S244 V248 A249 S250 | S244-E246 VanDerWaalsContact C-N 3.27Å; S244-E246 PolarHBondContact O-N 3.02Å; E246-V248 PolarHBondContact O-N 3.44Å; E246-A249 PolarHBondContact O-N 3.4Å; E246-S250 WeakPolarHBondContact O-CB 3.34Å; E246-S250 PolarHBondContact O-N 2.99Å |
| 247 | T | 98.3 | Very high | 97.9 | Very high | 40 Ų | 40 | 48.4 Ų | 48.4 | 25% | 0.245 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 177.4 | -59.3 | 0 | 0 | 0 | 0 | 110.7 | F243 S244 S245 S250 M251 A289 | F243-T247 HydrophobicContact CD1-CG2 3.85Å; S244-T247 WeakPolarHBondContact O-CA 3.01Å; S244-T247 WeakPolarHBondContact O-CB 3.4Å; S244-T247 PolarHBondContact O-N 3.18Å; S244-T247 WeakPolarHBondContact OG-CB 3.33Å; S244-T247 PolarHBondContact OG-N 3.35Å; S244-T247 VanDerWaalsContact OG-N 3.13Å; S244-T247 PolarHBondContact OG-OG1 3.46Å; S245-T247 VanDerWaalsContact C-N 3.34Å; S245-T247 PolarHBondContact O-N 3.14Å; T247-S250 PolarHBondContact O-N 3Å; T247-M251 HydrophobicContact CG2-CG 4.25Å; T247-M251 HydrophobicContact CG2-SD 3.95Å; T247-M251 WeakPolarHBondContact O-CB 3.48Å; T247-M251 WeakPolarHBondContact O-CG 3.39Å; T247-M251 PolarHBondContact O-N 2.83Å; T247-A289 HydrophobicContact CG2-CB 3.61Å |
| 248 | V | 98.5 | Very high | 97.8 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.4 | -48.8 | 177 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | V235 L238 F243 S244 S245 E246 S250 M251 V252 | V235-V248 HydrophobicContact CG1-CG1 4.29Å; L238-V248 HydrophobicContact CB-CG2 3.8Å; L238-V248 HydrophobicContact CD1-CG1 4.02Å; L238-V248 HydrophobicContact CD1-CG2 4.44Å; F243-V248 HydrophobicContact CB-CG2 3.72Å; S244-V248 WeakPolarHBondContact O-CG2 3.27Å; S244-V248 PolarHBondContact O-N 3.49Å; S245-V248 PolarHBondContact O-N 2.84Å; E246-V248 PolarHBondContact O-N 3.44Å; V248-S250 VanDerWaalsContact C-N 3.32Å; V248-S250 PolarHBondContact O-N 2.81Å; V248-M251 WeakPolarHBondContact O-CB 3.5Å; V248-M251 PolarHBondContact O-N 3.13Å; V248-M251 VanDerWaalsContact O-N 3.08Å; V248-V252 HydrophobicContact CG1-CG2 4.29Å; V248-V252 WeakPolarHBondContact O-CG2 3.44Å; V248-V252 PolarHBondContact O-N 2.88Å |
| 249 | A | 98.3 | Very high | 97.8 | Very high | 7 Ų | 7 | 47.7 Ų | 47.7 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -53.9 | -48.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I206 G207 S245 E246 M251 V252 S253 | I206-A249 WeakPolarHBondContact O-CB 3.16Å; G207-A249 WeakPolarHBondContact O-CB 3.15Å; S245-A249 PolarHBondContact O-N 3.19Å; E246-A249 PolarHBondContact O-N 3.4Å; A249-M251 VanDerWaalsContact C-N 3.33Å; A249-M251 PolarHBondContact O-N 2.79Å; A249-V252 PolarHBondContact O-N 3.35Å; A249-S253 WeakPolarHBondContact O-CB 3.49Å; A249-S253 PolarHBondContact O-N 3.08Å; A249-S253 PolarHBondContact O-OG 3.02Å |
| 250 | S | 98.2 | Very high | 97.7 | Very high | 51 Ų | 51 | 46 Ų | 46 | 36% | 0.357 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.2 | -39.1 | 177 | 177 | 0 | 0 | 0 | 0 | 112.5 | E246 T247 V248 R254 | E246-S250 WeakPolarHBondContact O-CB 3.34Å; E246-S250 PolarHBondContact O-N 2.99Å; T247-S250 PolarHBondContact O-N 3Å; V248-S250 VanDerWaalsContact C-N 3.32Å; V248-S250 PolarHBondContact O-N 2.81Å; S250-R254 WeakPolarHBondContact O-CG 3.46Å; S250-R254 PolarHBondContact O-N 3.28Å; S250-R254 PolarHBondContact O-NE 3.37Å; S250-R254 PolarHBondContact OG-NE 2.83Å; S250-R254 PolarHBondContact OG-NH2 2.95Å |
| 251 | M | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.5 | -47.7 | 178 | -73.8 | 176.1 | 66.6 | 0 | 0 | 111.6 | F243 T247 V248 A249 S253 R254 A255 L258 A289 P292 L295 | F243-M251 HydrophobicContact CD1-SD 3.81Å; F243-M251 HydrophobicContact CE1-CE 4.39Å; F243-M251 HydrophobicContact CE1-SD 3.89Å; F243-M251 HydrophobicContact CG-SD 4.46Å; T247-M251 HydrophobicContact CG2-CG 4.25Å; T247-M251 HydrophobicContact CG2-SD 3.95Å; T247-M251 WeakPolarHBondContact O-CB 3.48Å; T247-M251 WeakPolarHBondContact O-CG 3.39Å; T247-M251 PolarHBondContact O-N 2.83Å; V248-M251 WeakPolarHBondContact O-CB 3.5Å; V248-M251 PolarHBondContact O-N 3.13Å; V248-M251 VanDerWaalsContact O-N 3.08Å; A249-M251 VanDerWaalsContact C-N 3.33Å; A249-M251 PolarHBondContact O-N 2.79Å; M251-S253 VanDerWaalsContact C-N 3.33Å; M251-S253 PolarHBondContact O-N 3.38Å; M251-R254 PolarHBondContact O-N 2.89Å; M251-A255 WeakPolarHBondContact O-CB 3.38Å; M251-A255 PolarHBondContact O-N 3.19Å; M251-L258 HydrophobicContact CB-CD2 3.75Å; M251-L258 HydrophobicContact CE-CD2 4.09Å; M251-A289 HydrophobicContact SD-CB 4.24Å; M251-P292 HydrophobicContact CB-CB 3.9Å; M251-P292 HydrophobicContact CB-CG 4.39Å; M251-P292 HydrophobicContact CE-CB 4.1Å; M251-P292 HydrophobicContact CG-CB 3.97Å; M251-P292 HydrophobicContact CG-CG 4.45Å; M251-L295 HydrophobicContact CE-CD1 3.88Å |
| 252 | V | 98.1 | Very high | 97.7 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.4 | -44.3 | 177.4 | 174.4 | 0 | 0 | 0 | 0 | 110.5 | L203 I206 V208 I216 V248 A249 R254 A255 L258 L259 | L203-V252 HydrophobicContact CD2-CG1 4.07Å; I206-V252 HydrophobicContact CD1-CB 4.41Å; I206-V252 HydrophobicContact CD1-CG1 4.22Å; I206-V252 HydrophobicContact CD1-CG2 4.18Å; V208-V252 HydrophobicContact CG2-CB 4.38Å; V208-V252 HydrophobicContact CG2-CG1 4.12Å; I216-V252 HydrophobicContact CD1-CG1 4.41Å; V248-V252 HydrophobicContact CG1-CG2 4.29Å; V248-V252 WeakPolarHBondContact O-CG2 3.44Å; V248-V252 PolarHBondContact O-N 2.88Å; A249-V252 PolarHBondContact O-N 3.35Å; V252-R254 VanDerWaalsContact C-N 3.3Å; V252-R254 PolarHBondContact O-N 3.18Å; V252-A255 CarbonylContact O-C 3.09Å; V252-A255 VanDerWaalsContact O-C 3.32Å; V252-A255 PolarHBondContact O-N 3.47Å; V252-L258 HydrophobicContact CG2-CD2 4.16Å; V252-L259 HydrophobicContact CG1-CD1 4.07Å; V252-L259 HydrophobicContact CG1-CG 4.41Å; V252-L259 HydrophobicContact CG2-CD1 3.89Å; V252-L259 HydrophobicContact CG2-CD2 4.04Å; V252-L259 HydrophobicContact CG2-CG 3.83Å |
| 253 | S | 97.5 | Very high | 97.7 | Very high | 10 Ų | 10 | 35.9 Ų | 35.9 | 7% | 0.07 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57 | -40.8 | 177.3 | -63.3 | 0 | 0 | 0 | 0 | 112.9 | R212 Y215 A249 M251 | R212-S253 VanDerWaalsContact NH2-C 3.31Å; R212-S253 PolarHBondContact NH2-O 3.29Å; Y215-S253 WeakPolarHBondContact CE1-O 3.18Å; A249-S253 WeakPolarHBondContact O-CB 3.49Å; A249-S253 PolarHBondContact O-N 3.08Å; A249-S253 PolarHBondContact O-OG 3.02Å; M251-S253 VanDerWaalsContact C-N 3.33Å; M251-S253 PolarHBondContact O-N 3.38Å |
| 254 | R | 97.1 | Very high | 97.7 | Very high | 60 Ų | 60 | 43 Ų | 43 | 23% | 0.226 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -91.7 | -16.8 | -176.5 | -69.2 | 177.6 | -68 | 132 | 3.2 | 114.4 | S250 M251 V252 A289 R290 P292 R293 | S250-R254 WeakPolarHBondContact O-CG 3.46Å; S250-R254 PolarHBondContact O-N 3.28Å; S250-R254 PolarHBondContact O-NE 3.37Å; S250-R254 PolarHBondContact OG-NE 2.83Å; S250-R254 PolarHBondContact OG-NH2 2.95Å; M251-R254 PolarHBondContact O-N 2.89Å; V252-R254 VanDerWaalsContact C-N 3.3Å; V252-R254 PolarHBondContact O-N 3.18Å; R254-A289 VanDerWaalsContact CZ-O 3.31Å; R254-A289 PolarHBondContact NH1-O 3.09Å; R254-A289 VanDerWaalsContact NH1-O 3.08Å; R254-A289 PolarHBondContact NH2-O 3.36Å; R254-R290 PolarHBondContact NH1-O 2.71Å; R254-P292 HydrophobicContact CB-CG 3.91Å; R254-R293 PolarHBondContact O-NE 2.93Å |
| 255 | A | 97.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 3% | 0.025 | 24% | 0.239 | C | C | . | . | trans | -131.6 | 83.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | M251 V252 Y257 L258 P292 R293 | M251-A255 WeakPolarHBondContact O-CB 3.38Å; M251-A255 PolarHBondContact O-N 3.19Å; V252-A255 CarbonylContact O-C 3.09Å; V252-A255 VanDerWaalsContact O-C 3.32Å; V252-A255 PolarHBondContact O-N 3.47Å; A255-Y257 PolarHBondContact O-N 3.24Å; A255-L258 HydrophobicContact CB-CB 4.16Å; A255-L258 WeakPolarHBondContact O-CB 3.43Å; A255-L258 PolarHBondContact O-N 3.48Å; A255-P292 HydrophobicContact CB-CB 3.75Å; A255-P292 HydrophobicContact CB-CG 3.89Å; A255-R293 HydrophobicContact CB-CG 4.14Å | ||
| 256 | P | 96.5 | Very high | 97.7 | Very high | 9 Ų | 9 | 41.8 Ų | 41.8 | 6% | 0.058 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -20.8 | -175.5 | -30.9 | 39.4 | 0 | 0 | 0 | 115.7 | Y215 I216 H219 N220 | Y215-P256 HydrophobicContact CD1-CG 4.02Å; Y215-P256 HydrophobicContact CE1-CG 3.53Å; I216-P256 HydrophobicContact CB-CB 4.47Å; I216-P256 HydrophobicContact CG1-CG 4.39Å; I216-P256 HydrophobicContact CG2-CB 4.18Å; H219-P256 HydrophobicContact CB-CB 3.87Å; H219-P256 HydrophobicContact CB-CG 3.71Å; N220-P256 HydrophobicContact CB-CB 3.86Å; N220-P256 PolarHBondContact ND2-O 3.47Å |
| 257 | Y | 97.2 | Very high | 97.7 | Very high | 86 Ų | 86 | 37.1 Ų | 37.1 | 34% | 0.337 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -3.1 | 177.5 | -74 | -77.2 | 0 | 0 | 0 | 114.2 | R180 H219 N220 A255 L259 S260 F261 | R180-Y257 PolarHBondContact NH1-OH 2.95Å; H219-Y257 WeakPolarHBondContact O-CE2 3.4Å; H219-Y257 VanDerWaalsContact O-CZ 3.3Å; H219-Y257 PolarHBondContact O-OH 3.34Å; N220-Y257 HydrophobicContact CB-CD1 3.98Å; N220-Y257 HydrophobicContact CB-CD2 4.31Å; N220-Y257 HydrophobicContact CB-CE1 3.82Å; N220-Y257 HydrophobicContact CB-CE2 4.16Å; N220-Y257 HydrophobicContact CB-CG 4.24Å; N220-Y257 VanDerWaalsContact CG-CD1 3.49Å; N220-Y257 VanDerWaalsContact CG-CE1 3.45Å; N220-Y257 WeakPolarHBondContact OD1-CE1 3.35Å; A255-Y257 PolarHBondContact O-N 3.24Å; Y257-L259 VanDerWaalsContact C-N 3.32Å; Y257-L259 PolarHBondContact O-N 2.81Å; Y257-S260 WeakPolarHBondContact O-CB 3.32Å; Y257-S260 PolarHBondContact O-N 2.89Å; Y257-F261 WeakPolarHBondContact O-CD2 3.47Å |
| 258 | L | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -57.3 | -47 | -175.2 | 179.2 | 64.7 | 0 | 0 | 0 | 111.5 | L238 M251 V252 A255 S260 F261 L266 L295 C296 | L238-L258 HydrophobicContact CD1-CD2 4.1Å; M251-L258 HydrophobicContact CB-CD2 3.75Å; M251-L258 HydrophobicContact CE-CD2 4.09Å; V252-L258 HydrophobicContact CG2-CD2 4.16Å; A255-L258 HydrophobicContact CB-CB 4.16Å; A255-L258 WeakPolarHBondContact O-CB 3.43Å; A255-L258 PolarHBondContact O-N 3.48Å; L258-S260 PolarHBondContact O-N 3.41Å; L258-F261 PolarHBondContact O-N 2.91Å; L258-L266 HydrophobicContact CD1-CD2 3.86Å; L258-L295 HydrophobicContact CD1-CB 3.93Å; L258-L295 HydrophobicContact CD1-CD1 3.84Å; L258-C296 VanDerWaalsContact CA-SG 3.53Å |
| 259 | L | 97.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -79.2 | 1.4 | 179 | -58.3 | -175.7 | 0 | 0 | 0 | 113.3 | F202 I206 L231 R234 V235 L238 V252 Y257 F261 | F202-L259 HydrophobicContact CE1-CD1 4.07Å; I206-L259 HydrophobicContact CD1-CD1 4.32Å; L231-L259 HydrophobicContact CD2-CB 3.86Å; R234-L259 HydrophobicContact CB-CD2 4.13Å; R234-L259 WeakPolarHBondContact CD-O 3.3Å; R234-L259 PolarHBondContact NE-O 3Å; R234-L259 PolarHBondContact NH1-O 2.9Å; V235-L259 HydrophobicContact CG2-CD1 4.07Å; V235-L259 HydrophobicContact CG2-CD2 3.89Å; L238-L259 HydrophobicContact CD1-CD2 4.42Å; V252-L259 HydrophobicContact CG1-CD1 4.07Å; V252-L259 HydrophobicContact CG1-CG 4.41Å; V252-L259 HydrophobicContact CG2-CD1 3.89Å; V252-L259 HydrophobicContact CG2-CD2 4.04Å; V252-L259 HydrophobicContact CG2-CG 3.83Å; Y257-L259 VanDerWaalsContact C-N 3.32Å; Y257-L259 PolarHBondContact O-N 2.81Å; L259-F261 VanDerWaalsContact C-N 3.28Å |
| 260 | S | 96.4 | Very high | 97.6 | Very high | 35 Ų | 35 | 41.7 Ų | 41.7 | 25% | 0.245 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -85 | -5.1 | 170.6 | -60.8 | 0 | 0 | 0 | 0 | 112.5 | N220 Y257 L258 | N220-S260 PolarHBondContact ND2-OG 3.35Å; Y257-S260 WeakPolarHBondContact O-CB 3.32Å; Y257-S260 PolarHBondContact O-N 2.89Å; L258-S260 PolarHBondContact O-N 3.41Å |
| 261 | F | 97 | Very high | 97.6 | Very high | 18 Ų | 18 | 40.4 Ų | 40.4 | 8% | 0.079 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -95.4 | 133 | -177.2 | -77.5 | -137.4 | 0 | 0 | 0 | 108.9 | R234 Y257 L258 L259 R265 L266 L295 C296 | R234-F261 WeakPolarHBondContact CD-O 3.47Å; Y257-F261 WeakPolarHBondContact O-CD2 3.47Å; L258-F261 PolarHBondContact O-N 2.91Å; L259-F261 VanDerWaalsContact C-N 3.28Å; F261-R265 HydrophobicContact CD1-CB 4.45Å; F261-R265 VanDerWaalsContact CD1-CD 3.4Å; F261-R265 HydrophobicContact CD1-CG 3.68Å; F261-R265 HydrophobicContact CE1-CG 4.3Å; F261-R265 VanDerWaalsContact CE1-NH2 3.29Å; F261-R265 HydrophobicContact CG-CG 4.46Å; F261-R265 VanDerWaalsContact CZ-NH2 3.25Å; F261-L266 HydrophobicContact CB-CD2 3.78Å; F261-L266 HydrophobicContact CB-CG 3.88Å; F261-L295 WeakPolarHBondContact CD1-O 3.44Å; F261-L295 WeakPolarHBondContact CE1-O 3.26Å; F261-C296 HydrophobicContact CE2-CB 4.47Å; F261-C296 HydrophobicContact CZ-CB 4.33Å; F261-C296 VanDerWaalsContact CZ-O 3.27Å; F261-C296 WeakPolarHBondContact CZ-O 3.47Å |
| 262 | S | 97.3 | Very high | 97.6 | Very high | 63 Ų | 63 | 41.5 Ų | 41.5 | 44% | 0.441 | 21% | 0.208 | S | C | . | . | trans | -60.6 | 153.4 | 174.1 | 67.2 | 0 | 0 | 0 | 0 | 111.1 | K264 R265 L266 | S262-K264 PolarHBondContact O-N 3.4Å; S262-R265 WeakPolarHBondContact O-CA 3.28Å; S262-R265 WeakPolarHBondContact O-CB 3.43Å; S262-R265 PolarHBondContact O-N 3Å; S262-R265 WeakPolarHBondContact OG-CB 3.36Å; S262-R265 PolarHBondContact OG-N 3.29Å; S262-L266 PolarHBondContact O-N 3.29Å | ||
| 263 | V | 98.1 | Very high | 97.6 | Very high | 55 Ų | 55 | 41.4 Ų | 41.4 | 33% | 0.333 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -50.1 | -47 | 176.7 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | R234 Y237 R265 L266 D267 | R234-V263 HydrophobicContact CG-CG2 4.28Å; Y237-V263 HydrophobicContact CD1-CG1 4.45Å; Y237-V263 HydrophobicContact CD2-CG1 3.45Å; Y237-V263 VanDerWaalsContact CD2-CG1 3.45Å; Y237-V263 HydrophobicContact CE2-CG1 4.03Å; Y237-V263 HydrophobicContact CG-CB 4.46Å; Y237-V263 HydrophobicContact CG-CG1 3.69Å; Y237-V263 HydrophobicContact CG-CG2 4.35Å; V263-R265 VanDerWaalsContact C-N 3.31Å; V263-R265 PolarHBondContact O-N 3.04Å; V263-L266 PolarHBondContact O-N 3.35Å; V263-D267 WeakPolarHBondContact O-CB 3.42Å; V263-D267 PolarHBondContact O-N 3.45Å |
| 264 | K | 98.2 | Very high | 97.6 | Very high | 159 Ų | 159 | 45 Ų | 45 | 69% | 0.691 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -56.6 | -42.3 | 175.7 | -176.8 | 176.1 | -178.2 | 175.3 | 0 | 112.6 | S262 D267 N268 | S262-K264 PolarHBondContact O-N 3.4Å; K264-D267 PolarHBondContact O-N 3.3Å; K264-N268 WeakPolarHBondContact O-CB 3.45Å; K264-N268 PolarHBondContact O-N 3.19Å; K264-N268 PolarHBondContact O-ND2 2.72Å |
| 265 | R | 97.8 | Very high | 97.5 | Very high | 121 Ų | 121 | 49 Ų | 49 | 46% | 0.457 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -71.9 | -37.2 | -179.3 | -170.7 | 176.6 | 169.4 | 167.3 | -4.8 | 111.8 | F261 S262 V263 R269 | F261-R265 HydrophobicContact CD1-CB 4.45Å; F261-R265 VanDerWaalsContact CD1-CD 3.4Å; F261-R265 HydrophobicContact CD1-CG 3.68Å; F261-R265 HydrophobicContact CE1-CG 4.3Å; F261-R265 VanDerWaalsContact CE1-NH2 3.29Å; F261-R265 HydrophobicContact CG-CG 4.46Å; F261-R265 VanDerWaalsContact CZ-NH2 3.25Å; S262-R265 WeakPolarHBondContact O-CA 3.28Å; S262-R265 WeakPolarHBondContact O-CB 3.43Å; S262-R265 PolarHBondContact O-N 3Å; S262-R265 WeakPolarHBondContact OG-CB 3.36Å; S262-R265 PolarHBondContact OG-N 3.29Å; V263-R265 VanDerWaalsContact C-N 3.31Å; V263-R265 PolarHBondContact O-N 3.04Å; R265-R269 WeakPolarHBondContact O-CB 3.45Å; R265-R269 WeakPolarHBondContact O-CD 3.5Å; R265-R269 VanDerWaalsContact O-CG 3.24Å; R265-R269 WeakPolarHBondContact O-CG 3.27Å; R265-R269 PolarHBondContact O-N 3.25Å |
| 266 | L | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 173.1 | -69.4 | 173.3 | 0 | 0 | 0 | 111 | Y237 L258 F261 S262 V263 R269 L270 | Y237-L266 HydrophobicContact CD1-CB 4.13Å; Y237-L266 HydrophobicContact CD1-CD1 4.13Å; Y237-L266 HydrophobicContact CE1-CB 3.67Å; Y237-L266 HydrophobicContact CE1-CD1 4.47Å; L258-L266 HydrophobicContact CD1-CD2 3.86Å; F261-L266 HydrophobicContact CB-CD2 3.78Å; F261-L266 HydrophobicContact CB-CG 3.88Å; S262-L266 PolarHBondContact O-N 3.29Å; V263-L266 PolarHBondContact O-N 3.35Å; L266-R269 PolarHBondContact O-N 2.7Å; L266-R269 VanDerWaalsContact O-N 3.17Å; L266-L270 PolarHBondContact O-N 3.05Å |
| 267 | D | 97.9 | Very high | 97.4 | Very high | 57 Ų | 57 | 52.4 Ų | 52.4 | 31% | 0.305 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.2 | -48.7 | 179.6 | -161.9 | 67 | 0 | 0 | 0 | 113.1 | Y237 R241 V263 K264 R269 L270 G271 | Y237-D267 HydrophobicContact CE2-CB 4.06Å; Y237-D267 WeakPolarHBondContact OH-CA 3.36Å; Y237-D267 VanDerWaalsContact OH-CB 3.24Å; Y237-D267 WeakPolarHBondContact OH-CB 3.16Å; Y237-D267 PolarHBondContact OH-N 3.47Å; Y237-D267 PolarHBondContact OH-OD1 2.89Å; R241-D267 IonicContact CZ-OD1 2.72Å; R241-D267 IonicContact NE-OD1 3.38Å; R241-D267 PolarHBondContact NE-OD1 3.01Å; R241-D267 IonicContact NH2-OD1 2.88Å; R241-D267 PolarHBondContact NH2-OD1 3.23Å; R241-D267 IonicContact NH2-OD2 3.19Å; V263-D267 WeakPolarHBondContact O-CB 3.42Å; V263-D267 PolarHBondContact O-N 3.45Å; K264-D267 PolarHBondContact O-N 3.3Å; D267-R269 PolarHBondContact O-N 3.04Å; D267-R269 VanDerWaalsContact O-N 3.16Å; D267-L270 PolarHBondContact O-N 2.87Å; D267-G271 PolarHBondContact O-N 3.41Å |
| 268 | N | 98.1 | Very high | 97.4 | Very high | 100 Ų | 100 | 55 Ų | 55 | 54% | 0.535 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -56.2 | -35.5 | 174.5 | -70.8 | -14.7 | 0 | 0 | 0 | 112.2 | K264 F272 | K264-N268 WeakPolarHBondContact O-CB 3.45Å; K264-N268 PolarHBondContact O-N 3.19Å; K264-N268 PolarHBondContact O-ND2 2.72Å; N268-F272 WeakPolarHBondContact O-CB 3.33Å; N268-F272 PolarHBondContact O-N 2.59Å |
| 269 | R | 97.7 | Very high | 97.3 | Very high | 27 Ų | 27 | 55.6 Ų | 55.6 | 10% | 0.102 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -77.5 | -40.7 | -179.2 | -75.3 | 175.6 | 166.8 | -100.8 | 1.3 | 112.7 | R265 L266 D267 G271 F272 F273 L295 G297 | R265-R269 WeakPolarHBondContact O-CB 3.45Å; R265-R269 WeakPolarHBondContact O-CD 3.5Å; R265-R269 VanDerWaalsContact O-CG 3.24Å; R265-R269 WeakPolarHBondContact O-CG 3.27Å; R265-R269 PolarHBondContact O-N 3.25Å; L266-R269 PolarHBondContact O-N 2.7Å; L266-R269 VanDerWaalsContact O-N 3.17Å; D267-R269 PolarHBondContact O-N 3.04Å; D267-R269 VanDerWaalsContact O-N 3.16Å; R269-G271 VanDerWaalsContact C-N 3.32Å; R269-F272 WeakPolarHBondContact O-CB 3.49Å; R269-F272 PolarHBondContact O-N 3.07Å; R269-F273 WeakPolarHBondContact O-CD2 3.47Å; R269-F273 PolarHBondContact O-N 3.43Å; R269-L295 HydrophobicContact CB-CD2 3.96Å; R269-L295 WeakPolarHBondContact CD-O 3.27Å; R269-L295 PolarHBondContact NE-O 3.22Å; R269-L295 PolarHBondContact NH1-O 3.07Å; R269-G297 VanDerWaalsContact CZ-O 3.29Å; R269-G297 PolarHBondContact NH1-O 2.88Å; R269-G297 PolarHBondContact NH2-O 3.06Å |
| 270 | L | 97.3 | Very high | 97.2 | Very high | 18 Ų | 18 | 59.7 Ų | 59.7 | 9% | 0.094 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 172.1 | -75.5 | 169.8 | 0 | 0 | 0 | 110.7 | Y237 R241 F243 L266 D267 F272 F273 Q274 V288 L295 | Y237-L270 HydrophobicContact CE1-CD1 3.99Å; Y237-L270 WeakPolarHBondContact OH-CD1 3.24Å; R241-L270 HydrophobicContact CG-CD1 4.33Å; F243-L270 HydrophobicContact CE2-CD1 4.35Å; F243-L270 HydrophobicContact CE2-CD2 4.41Å; F243-L270 HydrophobicContact CZ-CD2 4.23Å; L266-L270 PolarHBondContact O-N 3.05Å; D267-L270 PolarHBondContact O-N 2.87Å; L270-F272 VanDerWaalsContact C-N 3.35Å; L270-F272 PolarHBondContact O-N 2.66Å; L270-F273 PolarHBondContact O-N 3.27Å; L270-Q274 PolarHBondContact O-N 3.25Å; L270-V288 HydrophobicContact CD2-CG1 4.35Å; L270-V288 HydrophobicContact CD2-CG2 3.84Å; L270-L295 HydrophobicContact CD2-CD1 4.27Å; L270-L295 HydrophobicContact CD2-CD2 3.92Å; L270-L295 HydrophobicContact CG-CD2 4.06Å |
| 271 | G | 97.5 | Very high | 97.2 | Very high | 24 Ų | 24 | 60 Ų | 60 | 25% | 0.247 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | D267 R269 F273 Q274 Q275 | D267-G271 PolarHBondContact O-N 3.41Å; R269-G271 VanDerWaalsContact C-N 3.32Å; G271-F273 PolarHBondContact O-N 2.84Å; G271-Q274 PolarHBondContact O-N 3Å; G271-Q275 WeakPolarHBondContact O-CB 3.45Å; G271-Q275 VanDerWaalsContact O-CG 3.28Å; G271-Q275 WeakPolarHBondContact O-CG 3.2Å; G271-Q275 PolarHBondContact O-N 3.23Å |
| 272 | F | 98.1 | Very high | 97.2 | Very high | 22 Ų | 22 | 62.4 Ų | 62.4 | 10% | 0.096 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.9 | -51.3 | 174.3 | 168.6 | -95 | 0 | 0 | 0 | 112.3 | N268 R269 L270 Q274 Q275 Q276 L299 V302 K303 | N268-F272 WeakPolarHBondContact O-CB 3.33Å; N268-F272 PolarHBondContact O-N 2.59Å; R269-F272 WeakPolarHBondContact O-CB 3.49Å; R269-F272 PolarHBondContact O-N 3.07Å; L270-F272 VanDerWaalsContact C-N 3.35Å; L270-F272 PolarHBondContact O-N 2.66Å; F272-Q274 VanDerWaalsContact C-N 3.35Å; F272-Q274 PolarHBondContact O-N 3.19Å; F272-Q275 PolarHBondContact O-N 3.33Å; F272-Q276 HydrophobicContact CD1-CG 4.43Å; F272-Q276 HydrophobicContact CD2-CG 3.67Å; F272-Q276 HydrophobicContact CE1-CG 4.11Å; F272-Q276 HydrophobicContact CE2-CG 3.28Å; F272-Q276 HydrophobicContact CG-CG 4.23Å; F272-Q276 HydrophobicContact CZ-CB 4.45Å; F272-Q276 HydrophobicContact CZ-CG 3.55Å; F272-Q276 WeakPolarHBondContact O-CB 3.35Å; F272-Q276 VanDerWaalsContact O-CG 3.26Å; F272-Q276 WeakPolarHBondContact O-CG 3.37Å; F272-Q276 PolarHBondContact O-N 3.22Å; F272-L299 HydrophobicContact CD1-CD1 3.84Å; F272-L299 HydrophobicContact CD1-CD2 3.79Å; F272-L299 HydrophobicContact CD1-CG 4.3Å; F272-L299 HydrophobicContact CD2-CD1 4.13Å; F272-L299 HydrophobicContact CE1-CB 4.05Å; F272-L299 HydrophobicContact CE1-CD1 4.05Å; F272-L299 HydrophobicContact CE1-CD2 3.72Å; F272-L299 HydrophobicContact CE1-CG 4.14Å; F272-L299 HydrophobicContact CE2-CD1 4.32Å; F272-L299 HydrophobicContact CG-CD1 3.88Å; F272-L299 HydrophobicContact CZ-CB 3.99Å; F272-L299 HydrophobicContact CZ-CD1 4.28Å; F272-L299 HydrophobicContact CZ-CG 4.48Å; F272-V302 HydrophobicContact CE1-CG1 4.21Å; F272-K303 HydrophobicContact CE2-CD 4.41Å; F272-K303 HydrophobicContact CE2-CG 4.22Å; F272-K303 HydrophobicContact CZ-CD 4.44Å; F272-K303 HydrophobicContact CZ-CG 3.87Å |
| 273 | F | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.4 | -38.8 | -179.4 | -77.3 | -71 | 0 | 0 | 0 | 112.2 | R269 L270 G271 L277 T284 V288 L294 L295 L299 V302 L331 | R269-F273 WeakPolarHBondContact O-CD2 3.47Å; R269-F273 PolarHBondContact O-N 3.43Å; L270-F273 PolarHBondContact O-N 3.27Å; G271-F273 PolarHBondContact O-N 2.84Å; F273-L277 HydrophobicContact CB-CD1 4.42Å; F273-L277 HydrophobicContact CD1-CD1 4.24Å; F273-L277 VanDerWaalsContact O-CB 3.23Å; F273-L277 WeakPolarHBondContact O-CB 3.24Å; F273-L277 VanDerWaalsContact O-CG 3.25Å; F273-L277 WeakPolarHBondContact O-CG 3.09Å; F273-L277 PolarHBondContact O-N 2.84Å; F273-T284 HydrophobicContact CB-CG2 4.14Å; F273-V288 HydrophobicContact CD2-CG1 4.25Å; F273-V288 HydrophobicContact CG-CG1 4.41Å; F273-L294 HydrophobicContact CE1-CB 4.16Å; F273-L294 HydrophobicContact CE1-CD1 4.27Å; F273-L294 HydrophobicContact CE1-CD2 3.93Å; F273-L294 HydrophobicContact CE1-CG 4.34Å; F273-L294 HydrophobicContact CE2-CB 3.83Å; F273-L294 WeakPolarHBondContact CE2-O 3.45Å; F273-L294 HydrophobicContact CZ-CB 3.56Å; F273-L294 HydrophobicContact CZ-CD1 4.49Å; F273-L294 HydrophobicContact CZ-CD2 3.9Å; F273-L294 HydrophobicContact CZ-CG 4.17Å; F273-L294 WeakPolarHBondContact CZ-O 3.36Å; F273-L295 HydrophobicContact CD2-CD2 4.18Å; F273-L295 HydrophobicContact CE2-CD2 4.28Å; F273-L299 HydrophobicContact CE2-CD2 4.05Å; F273-L299 HydrophobicContact CZ-CD2 3.95Å; F273-V302 HydrophobicContact CD1-CG1 4.48Å; F273-V302 HydrophobicContact CE1-CG1 3.77Å; F273-V302 HydrophobicContact CE1-CG2 4.1Å; F273-V302 HydrophobicContact CZ-CG2 4.26Å; F273-L331 HydrophobicContact CE1-CD1 4.37Å |
| 274 | Q | 97.3 | Very high | 97.2 | Very high | 86 Ų | 86 | 59.4 Ų | 59.4 | 40% | 0.402 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61 | -46.5 | 176.4 | -169.5 | 174.1 | -5.4 | 0 | 0 | 111.5 | L270 G271 F272 K278 L279 T284 | L270-Q274 PolarHBondContact O-N 3.25Å; G271-Q274 PolarHBondContact O-N 3Å; F272-Q274 VanDerWaalsContact C-N 3.35Å; F272-Q274 PolarHBondContact O-N 3.19Å; Q274-K278 WeakPolarHBondContact O-CA 3.47Å; Q274-K278 PolarHBondContact O-N 3.4Å; Q274-L279 WeakPolarHBondContact CG-O 3.46Å; Q274-L279 PolarHBondContact O-N 2.84Å; Q274-T284 HydrophobicContact CB-CG2 4.06Å |
| 275 | Q | 96.6 | Very high | 97.2 | Very high | 143 Ų | 143 | 54.8 Ų | 54.8 | 67% | 0.668 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -69.2 | -47.7 | -179.4 | -71.1 | 173.4 | 0.1 | 0 | 0 | 112.5 | G271 F272 K278 | G271-Q275 WeakPolarHBondContact O-CB 3.45Å; G271-Q275 VanDerWaalsContact O-CG 3.28Å; G271-Q275 WeakPolarHBondContact O-CG 3.2Å; G271-Q275 PolarHBondContact O-N 3.23Å; F272-Q275 PolarHBondContact O-N 3.33Å; Q275-K278 WeakPolarHBondContact O-CG 3.47Å; Q275-K278 PolarHBondContact O-N 3.3Å |
| 276 | Q | 96 | Very high | 97.2 | Very high | 83 Ų | 83 | 52.5 Ų | 52.5 | 39% | 0.388 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.6 | -38.7 | -176.8 | -68.7 | -60.7 | -62.7 | 0 | 0 | 112.7 | F272 K278 L306 | F272-Q276 HydrophobicContact CD1-CG 4.43Å; F272-Q276 HydrophobicContact CD2-CG 3.67Å; F272-Q276 HydrophobicContact CE1-CG 4.11Å; F272-Q276 HydrophobicContact CE2-CG 3.28Å; F272-Q276 HydrophobicContact CG-CG 4.23Å; F272-Q276 HydrophobicContact CZ-CB 4.45Å; F272-Q276 HydrophobicContact CZ-CG 3.55Å; F272-Q276 WeakPolarHBondContact O-CB 3.35Å; F272-Q276 VanDerWaalsContact O-CG 3.26Å; F272-Q276 WeakPolarHBondContact O-CG 3.37Å; F272-Q276 PolarHBondContact O-N 3.22Å; Q276-K278 VanDerWaalsContact C-N 3.33Å; Q276-L306 HydrophobicContact CB-CD1 4.21Å |
| 277 | L | 95.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -84.5 | -12.3 | 179.2 | -56.5 | 175.3 | 0 | 0 | 0 | 112.2 | F273 L279 V287 L306 Q321 V324 L331 | F273-L277 HydrophobicContact CB-CD1 4.42Å; F273-L277 HydrophobicContact CD1-CD1 4.24Å; F273-L277 VanDerWaalsContact O-CB 3.23Å; F273-L277 WeakPolarHBondContact O-CB 3.24Å; F273-L277 VanDerWaalsContact O-CG 3.25Å; F273-L277 WeakPolarHBondContact O-CG 3.09Å; F273-L277 PolarHBondContact O-N 2.84Å; L277-L279 HydrophobicContact CB-CB 4.34Å; L277-L279 HydrophobicContact CB-CD1 3.77Å; L277-L279 HydrophobicContact CB-CG 3.68Å; L277-L279 HydrophobicContact CD1-CD1 3.89Å; L277-L279 HydrophobicContact CG-CD1 4.46Å; L277-L279 PolarHBondContact O-N 3.31Å; L277-V287 HydrophobicContact CD1-CG1 4.28Å; L277-L306 HydrophobicContact CD2-CD1 4.06Å; L277-L306 HydrophobicContact CD2-CD2 3.82Å; L277-Q321 VanDerWaalsContact O-CG 3.29Å; L277-Q321 WeakPolarHBondContact O-CG 3.25Å; L277-Q321 PolarHBondContact O-NE2 3.47Å; L277-V324 HydrophobicContact CD1-CG1 3.91Å; L277-V324 HydrophobicContact CD2-CG1 4.02Å; L277-V324 HydrophobicContact CD2-CG2 4.37Å; L277-L331 HydrophobicContact CD1-CD1 4.31Å; L277-L331 HydrophobicContact CD2-CD1 4.37Å; L277-L331 HydrophobicContact CD2-CD2 3.99Å |
| 278 | K | 96.5 | Very high | 97.2 | Very high | 139 Ų | 139 | 49.8 Ų | 49.8 | 60% | 0.604 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 36.1 | -173.8 | -57.7 | 176.2 | -174.9 | 161.7 | 0 | 112.1 | Q274 Q275 Q276 Q317 Q321 | Q274-K278 WeakPolarHBondContact O-CA 3.47Å; Q274-K278 PolarHBondContact O-N 3.4Å; Q275-K278 WeakPolarHBondContact O-CG 3.47Å; Q275-K278 PolarHBondContact O-N 3.3Å; Q276-K278 VanDerWaalsContact C-N 3.33Å; K278-Q317 HydrophobicContact CD-CG 4.27Å; K278-Q317 VanDerWaalsContact NZ-OE1 3.14Å; K278-Q321 PolarHBondContact O-NE2 3.32Å |
| 279 | L | 96.2 | Very high | 97.2 | Very high | 14 Ų | 14 | 45.8 Ų | 45.8 | 7% | 0.073 | 24% | 0.239 | C | C | . | . | trans | -91.8 | 153.2 | -179.5 | -70 | 178.3 | 0 | 0 | 0 | 110.3 | Q274 L277 N283 T284 V287 Q321 I325 | Q274-L279 WeakPolarHBondContact CG-O 3.46Å; Q274-L279 PolarHBondContact O-N 2.84Å; L277-L279 HydrophobicContact CB-CB 4.34Å; L277-L279 HydrophobicContact CB-CD1 3.77Å; L277-L279 HydrophobicContact CB-CG 3.68Å; L277-L279 HydrophobicContact CD1-CD1 3.89Å; L277-L279 HydrophobicContact CG-CD1 4.46Å; L277-L279 PolarHBondContact O-N 3.31Å; L279-N283 HydrophobicContact CB-CB 4.21Å; L279-N283 HydrophobicContact CD1-CB 4.3Å; L279-N283 HydrophobicContact CD2-CB 4.34Å; L279-T284 WeakPolarHBondContact CB-OG1 3.49Å; L279-V287 HydrophobicContact CD1-CG2 4.1Å; L279-Q321 HydrophobicContact CD2-CB 3.88Å; L279-Q321 HydrophobicContact CD2-CG 3.73Å; L279-Q321 HydrophobicContact CG-CG 4.47Å; L279-I325 HydrophobicContact CD1-CG1 4.04Å; L279-I325 HydrophobicContact CD2-CD1 3.73Å; L279-I325 HydrophobicContact CD2-CG1 4.1Å | ||
| 280 | N | 96.1 | Very high | 97.2 | Very high | 88 Ų | 88 | 49.3 Ų | 49.3 | 47% | 0.471 | 25% | 0.253 | S | S | . | . | trans | -64.2 | 163.4 | 166.6 | 70.4 | 46.2 | 0 | 0 | 0 | 110.5 | S282 N283 T284 | N280-S282 VanDerWaalsContact C-N 3.26Å; N280-S282 PolarHBondContact O-N 3.02Å; N280-S282 WeakPolarHBondContact OD1-CB 3.34Å; N280-S282 PolarHBondContact OD1-N 3.14Å; N280-N283 PolarHBondContact ND2-ND2 3.12Å; N280-N283 PolarHBondContact O-N 3.08Å; N280-N283 WeakPolarHBondContact OD1-CB 3.4Å; N280-N283 PolarHBondContact OD1-N 3.44Å; N280-T284 WeakPolarHBondContact O-CB 3.36Å; N280-T284 PolarHBondContact O-N 3.49Å; N280-T284 PolarHBondContact O-OG1 3.24Å | ||
| 281 | A | 95.8 | Very high | 97.2 | Very high | 42 Ų | 42 | 49.6 Ų | 49.6 | 35% | 0.347 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.9 | -36.2 | -177 | 0 | 0 | 0 | 0 | 0 | 112.5 | R285 | A281-R285 VanDerWaalsContact O-CG 3.3Å; A281-R285 WeakPolarHBondContact O-CG 3.48Å; A281-R285 PolarHBondContact O-N 2.94Å |
| 282 | S | 96.8 | Very high | 97.2 | Very high | 67 Ų | 67 | 48.7 Ų | 48.7 | 47% | 0.469 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.1 | -49 | -179.7 | -162.7 | 0 | 0 | 0 | 0 | 112.4 | N280 T284 R285 N286 | N280-S282 VanDerWaalsContact C-N 3.26Å; N280-S282 PolarHBondContact O-N 3.02Å; N280-S282 WeakPolarHBondContact OD1-CB 3.34Å; N280-S282 PolarHBondContact OD1-N 3.14Å; S282-T284 VanDerWaalsContact C-N 3.33Å; S282-T284 PolarHBondContact O-N 3.1Å; S282-R285 WeakPolarHBondContact O-CB 3.32Å; S282-R285 PolarHBondContact O-N 3.25Å; S282-N286 PolarHBondContact O-N 3.47Å |
| 283 | N | 97.6 | Very high | 97.1 | Very high | 51 Ų | 51 | 51.8 Ų | 51.8 | 27% | 0.273 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.2 | -37.3 | 178.1 | -72.5 | -10.5 | 0 | 0 | 0 | 111.2 | L279 N280 N286 V287 I325 | L279-N283 HydrophobicContact CB-CB 4.21Å; L279-N283 HydrophobicContact CD1-CB 4.3Å; L279-N283 HydrophobicContact CD2-CB 4.34Å; N280-N283 PolarHBondContact ND2-ND2 3.12Å; N280-N283 PolarHBondContact O-N 3.08Å; N280-N283 WeakPolarHBondContact OD1-CB 3.4Å; N280-N283 PolarHBondContact OD1-N 3.44Å; N283-N286 PolarHBondContact O-N 3.15Å; N283-V287 WeakPolarHBondContact O-CG2 3.16Å; N283-V287 PolarHBondContact O-N 3.03Å; N283-I325 HydrophobicContact CB-CD1 4.18Å; N283-I325 HydrophobicContact CB-CG1 4.32Å |
| 284 | T | 97.8 | Very high | 97 | Very high | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 173.5 | -54.8 | 0 | 0 | 0 | 0 | 110.8 | F273 Q274 L279 N280 S282 N286 V287 V288 | F273-T284 HydrophobicContact CB-CG2 4.14Å; Q274-T284 HydrophobicContact CB-CG2 4.06Å; L279-T284 WeakPolarHBondContact CB-OG1 3.49Å; N280-T284 WeakPolarHBondContact O-CB 3.36Å; N280-T284 PolarHBondContact O-N 3.49Å; N280-T284 PolarHBondContact O-OG1 3.24Å; S282-T284 VanDerWaalsContact C-N 3.33Å; S282-T284 PolarHBondContact O-N 3.1Å; T284-N286 VanDerWaalsContact C-N 3.35Å; T284-N286 PolarHBondContact O-N 3.22Å; T284-V287 PolarHBondContact O-N 2.96Å; T284-V288 WeakPolarHBondContact O-CG2 3.06Å; T284-V288 PolarHBondContact O-N 2.86Å; T284-V288 VanDerWaalsContact O-N 3.09Å |
| 285 | R | 97.8 | Very high | 97 | Very high | 61 Ų | 61 | 47.9 Ų | 47.9 | 23% | 0.23 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.4 | -44.4 | 174.7 | -72.5 | -170.8 | -50.1 | -93.9 | -0.2 | 111.9 | R241 F243 A281 S282 V287 V288 A289 | R241-R285 WeakPolarHBondContact O-CD 3.26Å; F243-R285 HydrophobicContact CE1-CB 3.77Å; F243-R285 HydrophobicContact CE1-CG 3.94Å; F243-R285 HydrophobicContact CE2-CG 4.07Å; F243-R285 HydrophobicContact CZ-CB 3.92Å; F243-R285 HydrophobicContact CZ-CG 3.62Å; A281-R285 VanDerWaalsContact O-CG 3.3Å; A281-R285 WeakPolarHBondContact O-CG 3.48Å; A281-R285 PolarHBondContact O-N 2.94Å; S282-R285 WeakPolarHBondContact O-CB 3.32Å; S282-R285 PolarHBondContact O-N 3.25Å; R285-V287 PolarHBondContact O-N 3.43Å; R285-V288 WeakPolarHBondContact O-CG2 3.4Å; R285-V288 PolarHBondContact O-N 3.08Å; R285-A289 WeakPolarHBondContact O-CB 3.4Å; R285-A289 PolarHBondContact O-N 3.43Å |
| 286 | N | 97.9 | Very high | 96.9 | Very high | 74 Ų | 74 | 42.4 Ų | 42.4 | 40% | 0.396 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.6 | -48.1 | 177.6 | -173.5 | -50.4 | 0 | 0 | 0 | 111.4 | S282 N283 T284 V288 A289 R290 | S282-N286 PolarHBondContact O-N 3.47Å; N283-N286 PolarHBondContact O-N 3.15Å; T284-N286 VanDerWaalsContact C-N 3.35Å; T284-N286 PolarHBondContact O-N 3.22Å; N286-V288 PolarHBondContact O-N 2.89Å; N286-A289 PolarHBondContact O-N 2.85Å; N286-R290 WeakPolarHBondContact O-CB 3.48Å; N286-R290 WeakPolarHBondContact O-CG 3.43Å; N286-R290 PolarHBondContact O-N 3.4Å; N286-R290 WeakPolarHBondContact OD1-CD 3.47Å |
| 287 | V | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.9 | -50 | 179.3 | 169 | 0 | 0 | 0 | 0 | 111.6 | L277 L279 N283 T284 R285 R290 L291 L294 V324 I325 P328 L331 | L277-V287 HydrophobicContact CD1-CG1 4.28Å; L279-V287 HydrophobicContact CD1-CG2 4.1Å; N283-V287 WeakPolarHBondContact O-CG2 3.16Å; N283-V287 PolarHBondContact O-N 3.03Å; T284-V287 PolarHBondContact O-N 2.96Å; R285-V287 PolarHBondContact O-N 3.43Å; V287-R290 PolarHBondContact O-N 3.23Å; V287-L291 PolarHBondContact O-N 2.8Å; V287-L294 HydrophobicContact CG1-CD1 3.94Å; V287-V324 HydrophobicContact CG1-CG1 4.08Å; V287-V324 HydrophobicContact CG2-CG1 4.18Å; V287-I325 HydrophobicContact CG2-CG1 4.36Å; V287-P328 HydrophobicContact CB-CG 4.43Å; V287-P328 HydrophobicContact CG1-CB 4.01Å; V287-P328 HydrophobicContact CG1-CG 4.08Å; V287-P328 HydrophobicContact CG2-CG 4.5Å; V287-L331 HydrophobicContact CG1-CD1 4.37Å |
| 288 | V | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -73.2 | -30.4 | -179.4 | -56.6 | 0 | 0 | 0 | 0 | 112.5 | F243 L270 F273 T284 R285 N286 L291 P292 L295 | F243-V288 HydrophobicContact CE1-CG2 3.84Å; F243-V288 HydrophobicContact CZ-CG2 3.54Å; L270-V288 HydrophobicContact CD2-CG1 4.35Å; L270-V288 HydrophobicContact CD2-CG2 3.84Å; F273-V288 HydrophobicContact CD2-CG1 4.25Å; F273-V288 HydrophobicContact CG-CG1 4.41Å; T284-V288 WeakPolarHBondContact O-CG2 3.06Å; T284-V288 PolarHBondContact O-N 2.86Å; T284-V288 VanDerWaalsContact O-N 3.09Å; R285-V288 WeakPolarHBondContact O-CG2 3.4Å; R285-V288 PolarHBondContact O-N 3.08Å; N286-V288 PolarHBondContact O-N 2.89Å; V288-L291 CarbonylContact O-C 3.58Å; V288-L291 PolarHBondContact O-N 2.94Å; V288-P292 WeakPolarHBondContact O-CA 3.26Å; V288-L295 HydrophobicContact CB-CD1 4.4Å; V288-L295 HydrophobicContact CB-CG 4.38Å; V288-L295 HydrophobicContact CG1-CD2 4.26Å |
| 289 | A | 97.9 | Very high | 96.7 | Very high | 15 Ų | 15 | 38 Ų | 38 | 12% | 0.124 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.8 | -40.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | F243 T247 M251 R254 R285 N286 | F243-A289 HydrophobicContact CE1-CB 4.24Å; T247-A289 HydrophobicContact CG2-CB 3.61Å; M251-A289 HydrophobicContact SD-CB 4.24Å; R254-A289 VanDerWaalsContact CZ-O 3.31Å; R254-A289 PolarHBondContact NH1-O 3.09Å; R254-A289 VanDerWaalsContact NH1-O 3.08Å; R254-A289 PolarHBondContact NH2-O 3.36Å; R285-A289 WeakPolarHBondContact O-CB 3.4Å; R285-A289 PolarHBondContact O-N 3.43Å; N286-A289 PolarHBondContact O-N 2.85Å |
| 290 | R | 97.6 | Very high | 96.7 | Very high | 102 Ų | 102 | 43.6 Ų | 43.6 | 39% | 0.385 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -71.6 | -29.8 | 176.8 | -72 | -179.5 | 69.6 | -155.9 | -1.2 | 112.8 | R254 N286 V287 I325 A326 P328 | R254-R290 PolarHBondContact NH1-O 2.71Å; N286-R290 WeakPolarHBondContact O-CB 3.48Å; N286-R290 WeakPolarHBondContact O-CG 3.43Å; N286-R290 PolarHBondContact O-N 3.4Å; N286-R290 WeakPolarHBondContact OD1-CD 3.47Å; V287-R290 PolarHBondContact O-N 3.23Å; R290-I325 PolarHBondContact NH1-O 3.49Å; R290-A326 VanDerWaalsContact CZ-O 3.27Å; R290-A326 PolarHBondContact NH1-O 3.17Å; R290-A326 PolarHBondContact NH2-O 2.88Å; R290-P328 HydrophobicContact CB-CG 4.09Å |
| 291 | L | 97.4 | Very high | 96.6 | Very high | 24 Ų | 24 | 41.7 Ų | 41.7 | 13% | 0.126 | 23% | 0.23 | C | C | . | . | trans | -133.9 | 74.6 | 176.3 | -168.6 | 63.1 | 0 | 0 | 0 | 112.3 | V287 V288 R293 L294 P328 K329 | V287-L291 PolarHBondContact O-N 2.8Å; V288-L291 CarbonylContact O-C 3.58Å; V288-L291 PolarHBondContact O-N 2.94Å; L291-R293 PolarHBondContact O-N 2.96Å; L291-R293 VanDerWaalsContact O-N 3.1Å; L291-L294 HydrophobicContact CB-CD1 3.99Å; L291-L294 HydrophobicContact CB-CG 4.13Å; L291-L294 HydrophobicContact CD2-CD1 4.14Å; L291-L294 HydrophobicContact CD2-CD2 4.06Å; L291-L294 HydrophobicContact CD2-CG 3.86Å; L291-L294 HydrophobicContact CG-CD1 4.29Å; L291-L294 HydrophobicContact CG-CG 3.92Å; L291-L294 VanDerWaalsContact O-CB 3.25Å; L291-L294 WeakPolarHBondContact O-CB 3.46Å; L291-L294 VanDerWaalsContact O-CG 3.24Å; L291-L294 WeakPolarHBondContact O-CG 3.46Å; L291-L294 PolarHBondContact O-N 3.1Å; L291-P328 HydrophobicContact CB-CB 3.75Å; L291-P328 HydrophobicContact CD2-CB 3.99Å; L291-K329 HydrophobicContact CD1-CG 4.4Å; L291-K329 HydrophobicContact CD2-CG 4.29Å | ||
| 292 | P | 97.5 | Very high | 96.7 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -64.9 | -21.6 | -172.5 | 24.6 | -35.2 | 0 | 0 | 0 | 114 | M251 R254 A255 V288 L294 L295 | M251-P292 HydrophobicContact CB-CB 3.9Å; M251-P292 HydrophobicContact CB-CG 4.39Å; M251-P292 HydrophobicContact CE-CB 4.1Å; M251-P292 HydrophobicContact CG-CB 3.97Å; M251-P292 HydrophobicContact CG-CG 4.45Å; R254-P292 HydrophobicContact CB-CG 3.91Å; A255-P292 HydrophobicContact CB-CB 3.75Å; A255-P292 HydrophobicContact CB-CG 3.89Å; V288-P292 WeakPolarHBondContact O-CA 3.26Å; P292-L294 PolarHBondContact O-N 3.28Å; P292-L294 VanDerWaalsContact O-N 3.12Å; P292-L295 PolarHBondContact O-N 2.87Å |
| 293 | R | 96.2 | Very high | 96.7 | Very high | 88 Ų | 88 | 41.4 Ų | 41.4 | 33% | 0.332 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -60.5 | -20 | 173.9 | -64.6 | -175.9 | -178.7 | 173.8 | 0.9 | 112.9 | D71 Y215 R254 A255 L291 L295 C296 G297 | D71-R293 IonicContact OD1-CZ 3.65Å; D71-R293 IonicContact OD1-NH1 2.61Å; D71-R293 PolarHBondContact OD1-NH1 2.98Å; D71-R293 IonicContact OD1-NH2 3.94Å; D71-R293 PolarHBondContact OD1-NH2 3.33Å; D71-R293 IonicContact OD2-NH1 3.94Å; D71-R293 PolarHBondContact OD2-NH1 3.38Å; D71-R293 VanDerWaalsContact OD2-NH1 3.13Å; Y215-R293 PolarHBondContact OH-NH2 3.4Å; Y215-R293 VanDerWaalsContact OH-NH2 3.08Å; R254-R293 PolarHBondContact O-NE 2.93Å; A255-R293 HydrophobicContact CB-CG 4.14Å; L291-R293 PolarHBondContact O-N 2.96Å; L291-R293 VanDerWaalsContact O-N 3.1Å; R293-L295 PolarHBondContact O-N 3.1Å; R293-C296 PolarHBondContact O-N 3.25Å; R293-G297 PolarHBondContact O-N 3.11Å |
| 294 | L | 96.9 | Very high | 96.7 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -55.2 | -36.4 | 170.8 | -73.2 | 176.2 | 0 | 0 | 0 | 112.3 | F273 V287 L291 P292 C296 V302 L331 T332 | F273-L294 HydrophobicContact CE1-CB 4.16Å; F273-L294 HydrophobicContact CE1-CD1 4.27Å; F273-L294 HydrophobicContact CE1-CD2 3.93Å; F273-L294 HydrophobicContact CE1-CG 4.34Å; F273-L294 HydrophobicContact CE2-CB 3.83Å; F273-L294 WeakPolarHBondContact CE2-O 3.45Å; F273-L294 HydrophobicContact CZ-CB 3.56Å; F273-L294 HydrophobicContact CZ-CD1 4.49Å; F273-L294 HydrophobicContact CZ-CD2 3.9Å; F273-L294 HydrophobicContact CZ-CG 4.17Å; F273-L294 WeakPolarHBondContact CZ-O 3.36Å; V287-L294 HydrophobicContact CG1-CD1 3.94Å; L291-L294 HydrophobicContact CB-CD1 3.99Å; L291-L294 HydrophobicContact CB-CG 4.13Å; L291-L294 HydrophobicContact CD2-CD1 4.14Å; L291-L294 HydrophobicContact CD2-CD2 4.06Å; L291-L294 HydrophobicContact CD2-CG 3.86Å; L291-L294 HydrophobicContact CG-CD1 4.29Å; L291-L294 HydrophobicContact CG-CG 3.92Å; L291-L294 VanDerWaalsContact O-CB 3.25Å; L291-L294 WeakPolarHBondContact O-CB 3.46Å; L291-L294 VanDerWaalsContact O-CG 3.24Å; L291-L294 WeakPolarHBondContact O-CG 3.46Å; L291-L294 PolarHBondContact O-N 3.1Å; P292-L294 PolarHBondContact O-N 3.28Å; P292-L294 VanDerWaalsContact O-N 3.12Å; L294-C296 VanDerWaalsContact C-N 3.29Å; L294-C296 PolarHBondContact O-N 3.36Å; L294-V302 HydrophobicContact CD2-CG2 4.22Å; L294-L331 HydrophobicContact CD1-CD1 4.04Å; L294-L331 HydrophobicContact CD2-CB 4.12Å; L294-L331 HydrophobicContact CD2-CD1 4.2Å; L294-T332 HydrophobicContact CD2-CG2 3.6Å |
| 295 | L | 97 | Very high | 96.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -76.8 | -16.9 | 178.1 | -60.6 | 177.9 | 0 | 0 | 0 | 112.8 | M251 L258 F261 R269 L270 F273 V288 P292 R293 | M251-L295 HydrophobicContact CE-CD1 3.88Å; L258-L295 HydrophobicContact CD1-CB 3.93Å; L258-L295 HydrophobicContact CD1-CD1 3.84Å; F261-L295 WeakPolarHBondContact CD1-O 3.44Å; F261-L295 WeakPolarHBondContact CE1-O 3.26Å; R269-L295 HydrophobicContact CB-CD2 3.96Å; R269-L295 WeakPolarHBondContact CD-O 3.27Å; R269-L295 PolarHBondContact NE-O 3.22Å; R269-L295 PolarHBondContact NH1-O 3.07Å; L270-L295 HydrophobicContact CD2-CD1 4.27Å; L270-L295 HydrophobicContact CD2-CD2 3.92Å; L270-L295 HydrophobicContact CG-CD2 4.06Å; F273-L295 HydrophobicContact CD2-CD2 4.18Å; F273-L295 HydrophobicContact CE2-CD2 4.28Å; V288-L295 HydrophobicContact CB-CD1 4.4Å; V288-L295 HydrophobicContact CB-CG 4.38Å; V288-L295 HydrophobicContact CG1-CD2 4.26Å; P292-L295 PolarHBondContact O-N 2.87Å; R293-L295 PolarHBondContact O-N 3.1Å |
| 296 | C | 94.4 | Very high | 96.7 | Very high | 28 Ų | 28 | 41.3 Ų | 41.3 | 19% | 0.189 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -27.2 | -175.6 | -54.3 | 0 | 0 | 0 | 0 | 113 | L258 F261 R293 L294 | L258-C296 VanDerWaalsContact CA-SG 3.53Å; F261-C296 HydrophobicContact CE2-CB 4.47Å; F261-C296 HydrophobicContact CZ-CB 4.33Å; F261-C296 VanDerWaalsContact CZ-O 3.27Å; F261-C296 WeakPolarHBondContact CZ-O 3.47Å; R293-C296 PolarHBondContact O-N 3.25Å; L294-C296 VanDerWaalsContact C-N 3.29Å; L294-C296 PolarHBondContact O-N 3.36Å |
| 297 | G | 92.4 | Very high | 96.7 | Very high | 33 Ų | 33 | 44.2 Ų | 44.2 | 34% | 0.34 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -81.5 | -179.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | R269 R293 | R269-G297 VanDerWaalsContact CZ-O 3.29Å; R269-G297 PolarHBondContact NH1-O 2.88Å; R269-G297 PolarHBondContact NH2-O 3.06Å; R293-G297 PolarHBondContact O-N 3.11Å |
| 298 | S | 94.8 | Very high | 96.6 | Very high | 63 Ų | 63 | 44.3 Ų | 44.3 | 44% | 0.441 | 22% | 0.224 | S | C | . | . | trans | -65.1 | 142.4 | 165.1 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | E300 | S298-E300 VanDerWaalsContact C-N 3.35Å; S298-E300 PolarHBondContact OG-N 3.36Å | ||
| 299 | L | 95.9 | Very high | 96.6 | Very high | 35 Ų | 35 | 44.7 Ų | 44.7 | 18% | 0.183 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -87.1 | -8.9 | 175 | -57.6 | -179.7 | 0 | 0 | 0 | 112.1 | F272 F273 V302 K303 | F272-L299 HydrophobicContact CD1-CD1 3.84Å; F272-L299 HydrophobicContact CD1-CD2 3.79Å; F272-L299 HydrophobicContact CD1-CG 4.3Å; F272-L299 HydrophobicContact CD2-CD1 4.13Å; F272-L299 HydrophobicContact CE1-CB 4.05Å; F272-L299 HydrophobicContact CE1-CD1 4.05Å; F272-L299 HydrophobicContact CE1-CD2 3.72Å; F272-L299 HydrophobicContact CE1-CG 4.14Å; F272-L299 HydrophobicContact CE2-CD1 4.32Å; F272-L299 HydrophobicContact CG-CD1 3.88Å; F272-L299 HydrophobicContact CZ-CB 3.99Å; F272-L299 HydrophobicContact CZ-CD1 4.28Å; F272-L299 HydrophobicContact CZ-CG 4.48Å; F273-L299 HydrophobicContact CE2-CD2 4.05Å; F273-L299 HydrophobicContact CZ-CD2 3.95Å; L299-V302 PolarHBondContact O-N 3.34Å; L299-K303 WeakPolarHBondContact O-CG 3.25Å; L299-K303 PolarHBondContact O-N 3.41Å; L299-K303 VanDerWaalsContact O-N 3.15Å |
| 300 | E | 95.9 | Very high | 96.6 | Very high | 132 Ų | 132 | 48.6 Ų | 48.6 | 62% | 0.617 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -64.4 | -49 | -178.5 | -60.5 | 170.2 | 164.8 | 0 | 0 | 112.5 | S298 V302 K303 E304 | S298-E300 VanDerWaalsContact C-N 3.35Å; S298-E300 PolarHBondContact OG-N 3.36Å; E300-V302 PolarHBondContact O-N 3.03Å; E300-K303 PolarHBondContact O-N 2.98Å; E300-K303 VanDerWaalsContact O-N 3.14Å; E300-E304 PolarHBondContact O-N 2.69Å |
| 301 | P | 95.5 | Very high | 96.6 | Very high | 48 Ų | 48 | 49.9 Ų | 49.9 | 31% | 0.312 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62 | -31.6 | 178.9 | -22.2 | 35.2 | 0 | 0 | 0 | 112.5 | E304 N305 L331 | P301-E304 PolarHBondContact O-N 3.47Å; P301-N305 VanDerWaalsContact O-CB 3.29Å; P301-N305 WeakPolarHBondContact O-CB 3.44Å; P301-N305 VanDerWaalsContact O-CG 3.26Å; P301-N305 PolarHBondContact O-N 3.22Å; P301-L331 CarbonylContact C-O 3.59Å |
| 302 | V | 97.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64 | -50.1 | 175.9 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | F272 F273 L294 L299 E300 E304 N305 L306 L331 T332 | F272-V302 HydrophobicContact CE1-CG1 4.21Å; F273-V302 HydrophobicContact CD1-CG1 4.48Å; F273-V302 HydrophobicContact CE1-CG1 3.77Å; F273-V302 HydrophobicContact CE1-CG2 4.1Å; F273-V302 HydrophobicContact CZ-CG2 4.26Å; L294-V302 HydrophobicContact CD2-CG2 4.22Å; L299-V302 PolarHBondContact O-N 3.34Å; E300-V302 PolarHBondContact O-N 3.03Å; V302-E304 VanDerWaalsContact C-N 3.33Å; V302-E304 PolarHBondContact O-N 3.17Å; V302-N305 PolarHBondContact O-N 3.47Å; V302-L306 HydrophobicContact CG1-CD1 4.15Å; V302-L306 WeakPolarHBondContact O-CB 3.23Å; V302-L306 VanDerWaalsContact O-CG 3.27Å; V302-L306 WeakPolarHBondContact O-CG 3.46Å; V302-L306 PolarHBondContact O-N 3.38Å; V302-L331 VanDerWaalsContact CA-O 3.26Å; V302-L331 WeakPolarHBondContact CA-O 3.44Å; V302-L331 HydrophobicContact CG1-CB 4.33Å; V302-L331 HydrophobicContact CG1-CD2 4.24Å; V302-L331 HydrophobicContact CG2-CB 4.36Å; V302-L331 PolarHBondContact N-O 3.36Å; V302-T332 HydrophobicContact CG2-CG2 4.33Å |
| 303 | K | 97.2 | Very high | 96.6 | Very high | 101 Ų | 101 | 53.8 Ų | 53.8 | 44% | 0.439 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 178.1 | -68.7 | 175.5 | 178.4 | -179.7 | 0 | 111.6 | F272 L299 E300 K307 | F272-K303 HydrophobicContact CE2-CD 4.41Å; F272-K303 HydrophobicContact CE2-CG 4.22Å; F272-K303 HydrophobicContact CZ-CD 4.44Å; F272-K303 HydrophobicContact CZ-CG 3.87Å; L299-K303 WeakPolarHBondContact O-CG 3.25Å; L299-K303 PolarHBondContact O-N 3.41Å; L299-K303 VanDerWaalsContact O-N 3.15Å; E300-K303 PolarHBondContact O-N 2.98Å; E300-K303 VanDerWaalsContact O-N 3.14Å; K303-K307 WeakPolarHBondContact O-CG 3.18Å; K303-K307 PolarHBondContact O-N 3.35Å |
| 304 | E | 97.1 | Very high | 96.7 | Very high | 94 Ų | 94 | 51.7 Ų | 51.7 | 44% | 0.439 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.7 | -52.2 | 177.7 | -174.8 | 178.6 | -177.3 | 0 | 0 | 111 | E300 P301 V302 L306 K307 V308 K335 | E300-E304 PolarHBondContact O-N 2.69Å; P301-E304 PolarHBondContact O-N 3.47Å; V302-E304 VanDerWaalsContact C-N 3.33Å; V302-E304 PolarHBondContact O-N 3.17Å; E304-L306 VanDerWaalsContact C-N 3.31Å; E304-L306 PolarHBondContact O-N 3.02Å; E304-K307 WeakPolarHBondContact O-CB 3.48Å; E304-K307 PolarHBondContact O-N 2.86Å; E304-K307 VanDerWaalsContact O-N 3.09Å; E304-V308 HydrophobicContact CG-CG2 4.4Å; E304-V308 WeakPolarHBondContact O-CG2 3.35Å; E304-V308 PolarHBondContact O-N 3.43Å; E304-K335 WeakPolarHBondContact OE1-CD 3.29Å |
| 305 | N | 97.5 | Very high | 96.8 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.4 | -34.5 | -177.6 | -74 | 2.2 | 0 | 0 | 0 | 112.7 | P301 V302 V308 C309 V330 A333 | P301-N305 VanDerWaalsContact O-CB 3.29Å; P301-N305 WeakPolarHBondContact O-CB 3.44Å; P301-N305 VanDerWaalsContact O-CG 3.26Å; P301-N305 PolarHBondContact O-N 3.22Å; V302-N305 PolarHBondContact O-N 3.47Å; N305-V308 PolarHBondContact O-N 3.04Å; N305-C309 PolarHBondContact O-N 3.14Å; N305-C309 PolarHBondContact O-SG 3.09Å; N305-V330 PolarHBondContact ND2-O 3.01Å; N305-A333 PolarHBondContact ND2-N 3.33Å; N305-A333 PolarHBondContact ND2-O 3.49Å |
| 306 | L | 97.8 | Very high | 96.8 | Very high | 19 Ų | 19 | 58.4 Ų | 58.4 | 10% | 0.099 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 173.1 | -73.1 | 171.9 | 0 | 0 | 0 | 111.6 | Q276 L277 V302 E304 C309 E310 I320 L331 | Q276-L306 HydrophobicContact CB-CD1 4.21Å; L277-L306 HydrophobicContact CD2-CD1 4.06Å; L277-L306 HydrophobicContact CD2-CD2 3.82Å; V302-L306 HydrophobicContact CG1-CD1 4.15Å; V302-L306 WeakPolarHBondContact O-CB 3.23Å; V302-L306 VanDerWaalsContact O-CG 3.27Å; V302-L306 WeakPolarHBondContact O-CG 3.46Å; V302-L306 PolarHBondContact O-N 3.38Å; E304-L306 VanDerWaalsContact C-N 3.31Å; E304-L306 PolarHBondContact O-N 3.02Å; L306-C309 PolarHBondContact O-N 3.37Å; L306-E310 WeakPolarHBondContact O-CB 3.24Å; L306-E310 PolarHBondContact O-N 2.89Å; L306-I320 HydrophobicContact CD2-CG2 3.78Å; L306-L331 HydrophobicContact CD2-CD2 3.71Å; L306-L331 HydrophobicContact CG-CD2 4.03Å |
| 307 | K | 97.5 | Very high | 96.9 | Very high | 134 Ų | 134 | 59.5 Ų | 59.5 | 58% | 0.583 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -65.6 | -38 | 175.1 | -71.2 | -178.7 | 177.9 | -170.6 | 0 | 112.5 | K303 E304 E310 I311 | K303-K307 WeakPolarHBondContact O-CG 3.18Å; K303-K307 PolarHBondContact O-N 3.35Å; E304-K307 WeakPolarHBondContact O-CB 3.48Å; E304-K307 PolarHBondContact O-N 2.86Å; E304-K307 VanDerWaalsContact O-N 3.09Å; K307-E310 PolarHBondContact O-N 3.17Å; K307-I311 HydrophobicContact CB-CD1 4.34Å; K307-I311 VanDerWaalsContact O-CB 3.3Å; K307-I311 WeakPolarHBondContact O-CB 3.44Å; K307-I311 WeakPolarHBondContact O-CG1 3.44Å; K307-I311 PolarHBondContact O-N 2.97Å |
| 308 | V | 97.8 | Very high | 97.2 | Very high | 3 Ų | 3 | 62.7 Ų | 62.7 | 2% | 0.018 | 32% | 0.318 | C | S | . | . | I | π-helix | trans | -61.3 | -47.8 | 174.6 | 170.5 | 0 | 0 | 0 | 0 | 109.9 | E304 N305 E310 E312 F313 K335 | E304-V308 HydrophobicContact CG-CG2 4.4Å; E304-V308 WeakPolarHBondContact O-CG2 3.35Å; E304-V308 PolarHBondContact O-N 3.43Å; N305-V308 PolarHBondContact O-N 3.04Å; V308-E310 VanDerWaalsContact C-N 3.33Å; V308-E310 PolarHBondContact O-N 3.41Å; V308-E312 HydrophobicContact CG1-CB 4.27Å; V308-E312 WeakPolarHBondContact O-CA 3.39Å; V308-E312 WeakPolarHBondContact O-CB 3.32Å; V308-E312 PolarHBondContact O-N 2.88Å; V308-F313 HydrophobicContact CG1-CD1 4.22Å; V308-F313 HydrophobicContact CG1-CD2 4.4Å; V308-F313 HydrophobicContact CG1-CE1 3.63Å; V308-F313 HydrophobicContact CG1-CE2 3.83Å; V308-F313 HydrophobicContact CG1-CZ 3.41Å; V308-F313 VanDerWaalsContact CG1-CZ 3.41Å; V308-F313 PolarHBondContact O-N 3.36Å; V308-K335 HydrophobicContact CG2-CD 3.87Å; V308-K335 HydrophobicContact CG2-CG 4.14Å |
| 309 | C | 97.9 | Very high | 97.3 | Very high | 7 Ų | 7 | 61 Ų | 61 | 5% | 0.047 | 30% | 0.304 | C | S | . | . | I | π-helix | trans | -61.9 | -39.3 | 177.6 | -69.6 | 0 | 0 | 0 | 0 | 113 | N305 L306 F313 G314 F315 I320 | N305-C309 PolarHBondContact O-N 3.14Å; N305-C309 PolarHBondContact O-SG 3.09Å; L306-C309 PolarHBondContact O-N 3.37Å; C309-F313 HydrophobicContact CB-CD2 4.4Å; C309-F313 WeakPolarHBondContact O-CB 3.3Å; C309-G314 PolarHBondContact O-N 2.8Å; C309-F315 HydrophobicContact CB-CD2 4.47Å; C309-F315 WeakPolarHBondContact O-CB 3.34Å; C309-F315 PolarHBondContact O-N 2.9Å; C309-I320 HydrophobicContact CB-CD1 4.01Å; C309-I320 HydrophobicContact CB-CG1 4.08Å |
| 310 | E | 97.8 | Very high | 97.4 | Very high | 98 Ų | 98 | 59.7 Ų | 59.7 | 46% | 0.458 | 30% | 0.297 | S | S | . | . | I | π-helix | trans | -77.1 | -50.6 | -178.4 | -175.7 | 173.6 | -148.5 | 0 | 0 | 112.5 | L306 K307 V308 G314 I320 | L306-E310 WeakPolarHBondContact O-CB 3.24Å; L306-E310 PolarHBondContact O-N 2.89Å; K307-E310 PolarHBondContact O-N 3.17Å; V308-E310 VanDerWaalsContact C-N 3.33Å; V308-E310 PolarHBondContact O-N 3.41Å; E310-G314 VanDerWaalsContact O-CA 3.26Å; E310-G314 WeakPolarHBondContact O-CA 3.33Å; E310-G314 PolarHBondContact O-N 3.23Å; E310-I320 HydrophobicContact CB-CD1 3.83Å |
| 311 | I | 97.6 | Very high | 97.5 | Very high | 129 Ų | 129 | 55.5 Ų | 55.5 | 66% | 0.662 | 28% | 0.277 | S | S | * | . | I | π-helix | trans | -92.3 | -49.1 | -168.8 | -55.8 | 172.9 | 0 | 0 | 0 | 111.4 | K307 | K307-I311 HydrophobicContact CB-CD1 4.34Å; K307-I311 VanDerWaalsContact O-CB 3.3Å; K307-I311 WeakPolarHBondContact O-CB 3.44Å; K307-I311 WeakPolarHBondContact O-CG1 3.44Å; K307-I311 PolarHBondContact O-N 2.97Å |
| 312 | E | 96.9 | Very high | 97.6 | Very high | 101 Ų | 101 | 57.8 Ų | 57.8 | 47% | 0.472 | 28% | 0.283 | S | S | . | . | I | π-helix | trans | -80.8 | -41.9 | -175.2 | -62.4 | -179.2 | -158.1 | 0 | 0 | 111.2 | V308 K335 | V308-E312 HydrophobicContact CG1-CB 4.27Å; V308-E312 WeakPolarHBondContact O-CA 3.39Å; V308-E312 WeakPolarHBondContact O-CB 3.32Å; V308-E312 PolarHBondContact O-N 2.88Å; E312-K335 WeakPolarHBondContact OE1-CE 3.43Å; E312-K335 IonicContact OE1-NZ 2.79Å; E312-K335 PolarHBondContact OE1-NZ 3.42Å; E312-K335 WeakPolarHBondContact OE2-CE 3.37Å; E312-K335 IonicContact OE2-NZ 2.88Å |
| 313 | F | 97.6 | Very high | 97.7 | Very high | 8 Ų | 8 | 57.9 Ų | 57.9 | 4% | 0.035 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -88.2 | -20.4 | 179 | -56.7 | -14.5 | 0 | 0 | 0 | 112.6 | V308 C309 F315 L338 T339 F342 H353 | V308-F313 HydrophobicContact CG1-CD1 4.22Å; V308-F313 HydrophobicContact CG1-CD2 4.4Å; V308-F313 HydrophobicContact CG1-CE1 3.63Å; V308-F313 HydrophobicContact CG1-CE2 3.83Å; V308-F313 HydrophobicContact CG1-CZ 3.41Å; V308-F313 VanDerWaalsContact CG1-CZ 3.41Å; V308-F313 PolarHBondContact O-N 3.36Å; C309-F313 HydrophobicContact CB-CD2 4.4Å; C309-F313 WeakPolarHBondContact O-CB 3.3Å; F313-F315 HydrophobicContact CB-CD2 3.66Å; F313-F315 HydrophobicContact CB-CE2 3.79Å; F313-F315 HydrophobicContact CD2-CD2 4.23Å; F313-F315 HydrophobicContact CD2-CE2 4.04Å; F313-F315 HydrophobicContact CG-CD2 4.48Å; F313-F315 HydrophobicContact CG-CE2 4.37Å; F313-L338 HydrophobicContact CE2-CD2 3.82Å; F313-L338 HydrophobicContact CE2-CG 3.68Å; F313-L338 HydrophobicContact CZ-CD2 4.27Å; F313-L338 HydrophobicContact CZ-CG 3.91Å; F313-T339 HydrophobicContact CE1-CG2 4.23Å; F313-F342 HydrophobicContact CB-CD1 3.97Å; F313-F342 HydrophobicContact CB-CD2 4.04Å; F313-F342 HydrophobicContact CB-CE1 3.71Å; F313-F342 HydrophobicContact CB-CE2 3.79Å; F313-F342 HydrophobicContact CB-CG 4.13Å; F313-F342 HydrophobicContact CB-CZ 3.62Å; F313-F342 HydrophobicContact CD1-CB 4.05Å; F313-F342 AromaticContact CD1-CD1 3.23Å; F313-F342 HydrophobicContact CD1-CD1 3.23Å; F313-F342 HydrophobicContact CD1-CD2 4.35Å; F313-F342 AromaticContact CD1-CE1 3.73Å; F313-F342 HydrophobicContact CD1-CE1 3.73Å; F313-F342 AromaticContact CD1-CG 3.6Å; F313-F342 HydrophobicContact CD1-CG 3.6Å; F313-F342 HydrophobicContact CD1-CZ 4.46Å; F313-F342 HydrophobicContact CD2-CB 4.2Å; F313-F342 HydrophobicContact CD2-CD1 4.37Å; F313-F342 HydrophobicContact CD2-CD2 4.06Å; F313-F342 AromaticContact CD2-CG 3.92Å; F313-F342 HydrophobicContact CD2-CG 3.92Å; F313-F342 HydrophobicContact CE1-CB 3.86Å; F313-F342 AromaticContact CE1-CD1 3.79Å; F313-F342 HydrophobicContact CE1-CD1 3.79Å; F313-F342 AromaticContact CE1-CG 3.95Å; F313-F342 HydrophobicContact CE1-CG 3.95Å; F313-F342 HydrophobicContact CE2-CB 4.02Å; F313-F342 HydrophobicContact CE2-CG 4.25Å; F313-F342 HydrophobicContact CG-CB 4.23Å; F313-F342 AromaticContact CG-CD1 3.6Å; F313-F342 HydrophobicContact CG-CD1 3.6Å; F313-F342 AromaticContact CG-CD2 3.9Å; F313-F342 HydrophobicContact CG-CD2 3.9Å; F313-F342 AromaticContact CG-CE1 3.88Å; F313-F342 HydrophobicContact CG-CE1 3.88Å; F313-F342 HydrophobicContact CG-CE2 4.17Å; F313-F342 AromaticContact CG-CG 3.6Å; F313-F342 HydrophobicContact CG-CG 3.6Å; F313-F342 HydrophobicContact CG-CZ 4.16Å; F313-F342 HydrophobicContact CZ-CB 3.85Å; F313-F342 HydrophobicContact CZ-CG 4.27Å; F313-F342 VanDerWaalsContact O-CZ 3.27Å; F313-F342 WeakPolarHBondContact O-CZ 2.96Å; F313-H353 PolarHBondContact O-CD2 3.4Å; F313-H353 PolarHBondContact O-NE2 3.43Å |
| 314 | G | 97.8 | Very high | 97.7 | Very high | 44 Ų | 44 | 53.1 Ų | 53.1 | 45% | 0.454 | 26% | 0.263 | S | S | . | . | trans | 76.3 | 18.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | C309 E310 | C309-G314 PolarHBondContact O-N 2.8Å; E310-G314 VanDerWaalsContact O-CA 3.26Å; E310-G314 WeakPolarHBondContact O-CA 3.33Å; E310-G314 PolarHBondContact O-N 3.23Å | ||
| 315 | F | 98.4 | Very high | 97.7 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | trans | -71.2 | 140.8 | 174.1 | -72 | -70.2 | 0 | 0 | 0 | 111.3 | C309 F313 E319 I320 I323 F342 H353 I356 | C309-F315 HydrophobicContact CB-CD2 4.47Å; C309-F315 WeakPolarHBondContact O-CB 3.34Å; C309-F315 PolarHBondContact O-N 2.9Å; F313-F315 HydrophobicContact CB-CD2 3.66Å; F313-F315 HydrophobicContact CB-CE2 3.79Å; F313-F315 HydrophobicContact CD2-CD2 4.23Å; F313-F315 HydrophobicContact CD2-CE2 4.04Å; F313-F315 HydrophobicContact CG-CD2 4.48Å; F313-F315 HydrophobicContact CG-CE2 4.37Å; F315-E319 HydrophobicContact CB-CB 4.33Å; F315-E319 HydrophobicContact CD1-CB 4.08Å; F315-I320 HydrophobicContact CB-CD1 4.23Å; F315-I320 HydrophobicContact CB-CG1 3.66Å; F315-I323 HydrophobicContact CD1-CD1 3.94Å; F315-I323 HydrophobicContact CD2-CD1 4.24Å; F315-I323 HydrophobicContact CE1-CD1 3.91Å; F315-I323 HydrophobicContact CE2-CD1 4.22Å; F315-I323 HydrophobicContact CG-CD1 4.12Å; F315-I323 HydrophobicContact CZ-CD1 4.06Å; F315-F342 AromaticContact CE2-CD2 3.8Å; F315-F342 HydrophobicContact CE2-CD2 3.8Å; F315-F342 AromaticContact CE2-CE2 3.56Å; F315-F342 HydrophobicContact CE2-CE2 3.56Å; F315-F342 HydrophobicContact CZ-CD2 4.04Å; F315-F342 AromaticContact CZ-CE2 3.62Å; F315-F342 HydrophobicContact CZ-CE2 3.62Å; F315-H353 HydrophobicContact CD1-CB 4.25Å; F315-H353 AromaticContact CD1-CD2 3.72Å; F315-H353 HydrophobicContact CE1-CB 3.97Å; F315-H353 AromaticContact CE1-CD2 3.69Å; F315-I356 HydrophobicContact CE1-CB 4.33Å; F315-I356 HydrophobicContact CE1-CG2 4.39Å; F315-I356 HydrophobicContact CZ-CB 4.13Å; F315-I356 HydrophobicContact CZ-CG2 3.79Å | ||
| 316 | K | 97.8 | Very high | 97.7 | Very high | 141 Ų | 141 | 52 Ų | 52 | 61% | 0.613 | 26% | 0.263 | S | S | * | . | trans | -74.1 | 157 | 172.5 | -62.3 | 175.9 | -176.6 | 174.6 | 0 | 110.8 | N318 E319 I320 | K316-N318 VanDerWaalsContact C-N 3.27Å; K316-N318 WeakPolarHBondContact CB-OD1 3.49Å; K316-N318 PolarHBondContact O-N 3.02Å; K316-E319 HydrophobicContact CB-CG 4.26Å; K316-E319 PolarHBondContact N-OE2 3.42Å; K316-E319 WeakPolarHBondContact O-CB 3.48Å; K316-E319 PolarHBondContact O-N 3.2Å; K316-I320 WeakPolarHBondContact O-CG1 3.47Å; K316-I320 PolarHBondContact O-N 3.22Å | ||
| 317 | Q | 97.1 | Very high | 97.6 | Very high | 51 Ų | 51 | 51.4 Ų | 51.4 | 24% | 0.238 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -52.5 | -41.5 | -179.5 | -179.8 | 70 | 80.1 | 0 | 0 | 113.6 | K278 I320 Q321 | K278-Q317 HydrophobicContact CD-CG 4.27Å; K278-Q317 VanDerWaalsContact NZ-OE1 3.14Å; Q317-I320 PolarHBondContact O-N 3.35Å; Q317-Q321 VanDerWaalsContact O-CG 3.24Å; Q317-Q321 WeakPolarHBondContact O-CG 3.45Å; Q317-Q321 PolarHBondContact O-N 2.88Å |
| 318 | N | 97.3 | Very high | 97.6 | Very high | 100 Ų | 100 | 45.4 Ų | 45.4 | 54% | 0.535 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.9 | -35.8 | 178.4 | 62.1 | -42.5 | 0 | 0 | 0 | 112.4 | K316 Q321 H322 | K316-N318 VanDerWaalsContact C-N 3.27Å; K316-N318 WeakPolarHBondContact CB-OD1 3.49Å; K316-N318 PolarHBondContact O-N 3.02Å; N318-Q321 WeakPolarHBondContact O-CB 3.4Å; N318-Q321 PolarHBondContact O-N 3.47Å; N318-H322 PolarHBondContact O-N 3Å |
| 319 | E | 98.1 | Very high | 97.5 | Very high | 29 Ų | 29 | 49.4 Ų | 49.4 | 14% | 0.136 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.8 | -44 | 174.9 | -63.4 | 175.1 | 142 | 0 | 0 | 110.7 | F315 K316 Q321 H322 I323 T357 | F315-E319 HydrophobicContact CB-CB 4.33Å; F315-E319 HydrophobicContact CD1-CB 4.08Å; K316-E319 HydrophobicContact CB-CG 4.26Å; K316-E319 PolarHBondContact N-OE2 3.42Å; K316-E319 WeakPolarHBondContact O-CB 3.48Å; K316-E319 PolarHBondContact O-N 3.2Å; E319-Q321 VanDerWaalsContact C-N 3.3Å; E319-Q321 PolarHBondContact O-N 3.44Å; E319-H322 WeakPolarHBondContact O-CB 3.17Å; E319-H322 PolarHBondContact O-N 2.81Å; E319-I323 WeakPolarHBondContact O-CD1 3.47Å; E319-I323 VanDerWaalsContact O-CG1 3.22Å; E319-I323 WeakPolarHBondContact O-CG1 3.24Å; E319-I323 PolarHBondContact O-N 2.99Å; E319-T357 HydrophobicContact CB-CG2 3.84Å; E319-T357 HydrophobicContact CG-CG2 4.03Å |
| 320 | I | 98.2 | Very high | 97.5 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.9 | -44.2 | 174.4 | -63.8 | 172.3 | 0 | 0 | 0 | 110.4 | L306 C309 E310 F315 K316 Q317 H322 I323 V324 | L306-I320 HydrophobicContact CD2-CG2 3.78Å; C309-I320 HydrophobicContact CB-CD1 4.01Å; C309-I320 HydrophobicContact CB-CG1 4.08Å; E310-I320 HydrophobicContact CB-CD1 3.83Å; F315-I320 HydrophobicContact CB-CD1 4.23Å; F315-I320 HydrophobicContact CB-CG1 3.66Å; K316-I320 WeakPolarHBondContact O-CG1 3.47Å; K316-I320 PolarHBondContact O-N 3.22Å; Q317-I320 PolarHBondContact O-N 3.35Å; I320-H322 VanDerWaalsContact C-N 3.35Å; I320-H322 PolarHBondContact O-N 3.31Å; I320-I323 PolarHBondContact O-N 2.93Å; I320-V324 HydrophobicContact CG2-CG2 4.14Å; I320-V324 WeakPolarHBondContact O-CB 3.37Å; I320-V324 VanDerWaalsContact O-CG2 3.24Å; I320-V324 WeakPolarHBondContact O-CG2 3.43Å; I320-V324 PolarHBondContact O-N 2.94Å |
| 321 | Q | 98 | Very high | 97.5 | Very high | 44 Ų | 44 | 45 Ų | 45 | 21% | 0.206 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.7 | -47.7 | 175.6 | -76.6 | 173 | -15.7 | 0 | 0 | 111.7 | L277 K278 L279 Q317 N318 E319 V324 I325 | L277-Q321 VanDerWaalsContact O-CG 3.29Å; L277-Q321 WeakPolarHBondContact O-CG 3.25Å; L277-Q321 PolarHBondContact O-NE2 3.47Å; K278-Q321 PolarHBondContact O-NE2 3.32Å; L279-Q321 HydrophobicContact CD2-CB 3.88Å; L279-Q321 HydrophobicContact CD2-CG 3.73Å; L279-Q321 HydrophobicContact CG-CG 4.47Å; Q317-Q321 VanDerWaalsContact O-CG 3.24Å; Q317-Q321 WeakPolarHBondContact O-CG 3.45Å; Q317-Q321 PolarHBondContact O-N 2.88Å; N318-Q321 WeakPolarHBondContact O-CB 3.4Å; N318-Q321 PolarHBondContact O-N 3.47Å; E319-Q321 VanDerWaalsContact C-N 3.3Å; E319-Q321 PolarHBondContact O-N 3.44Å; Q321-V324 PolarHBondContact O-N 3.21Å; Q321-I325 WeakPolarHBondContact O-CB 3.48Å; Q321-I325 WeakPolarHBondContact O-CD1 3.39Å; Q321-I325 WeakPolarHBondContact O-CG1 3.35Å; Q321-I325 PolarHBondContact O-N 2.89Å |
| 322 | H | 98 | Very high | 97.4 | Very high | 96 Ų | 96 | 42.2 Ų | 42.2 | 44% | 0.444 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.6 | -47.1 | 177.5 | -173.1 | -97.6 | 0 | 0 | 0 | 111.8 | N318 E319 I320 V324 I325 A326 T357 | N318-H322 PolarHBondContact O-N 3Å; E319-H322 WeakPolarHBondContact O-CB 3.17Å; E319-H322 PolarHBondContact O-N 2.81Å; I320-H322 VanDerWaalsContact C-N 3.35Å; I320-H322 PolarHBondContact O-N 3.31Å; H322-V324 PolarHBondContact O-N 3.01Å; H322-I325 PolarHBondContact O-N 3.31Å; H322-A326 WeakPolarHBondContact O-CB 3.36Å; H322-A326 PolarHBondContact O-N 3.34Å; H322-T357 HydrophobicContact CB-CG2 4Å; H322-T357 PolarHBondContact CE1-O 2.97Å; H322-T357 VanDerWaalsContact CE1-O 3.24Å; H322-T357 PolarHBondContact ND1-O 2.88Å |
| 323 | I | 98.1 | Very high | 97.3 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.015 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.8 | -46.4 | 178.3 | -66.8 | 163.1 | 0 | 0 | 0 | 110.8 | F315 E319 I320 A326 I327 V330 T357 P360 L363 | F315-I323 HydrophobicContact CD1-CD1 3.94Å; F315-I323 HydrophobicContact CD2-CD1 4.24Å; F315-I323 HydrophobicContact CE1-CD1 3.91Å; F315-I323 HydrophobicContact CE2-CD1 4.22Å; F315-I323 HydrophobicContact CG-CD1 4.12Å; F315-I323 HydrophobicContact CZ-CD1 4.06Å; E319-I323 WeakPolarHBondContact O-CD1 3.47Å; E319-I323 VanDerWaalsContact O-CG1 3.22Å; E319-I323 WeakPolarHBondContact O-CG1 3.24Å; E319-I323 PolarHBondContact O-N 2.99Å; I320-I323 PolarHBondContact O-N 2.93Å; I323-A326 PolarHBondContact O-N 3.08Å; I323-I327 PolarHBondContact O-N 2.69Å; I323-V330 HydrophobicContact CG2-CG1 4.23Å; I323-T357 HydrophobicContact CG1-CG2 4.38Å; I323-P360 HydrophobicContact CB-CB 4.32Å; I323-P360 HydrophobicContact CG1-CB 4.1Å; I323-P360 HydrophobicContact CG2-CB 4.09Å; I323-L363 HydrophobicContact CD1-CD1 4.46Å; I323-L363 HydrophobicContact CG2-CD1 4.01Å |
| 324 | V | 97.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.2 | -39.8 | -178.1 | 170.6 | 0 | 0 | 0 | 0 | 111.9 | L277 V287 I320 Q321 H322 A326 I327 P328 V330 L331 | L277-V324 HydrophobicContact CD1-CG1 3.91Å; L277-V324 HydrophobicContact CD2-CG1 4.02Å; L277-V324 HydrophobicContact CD2-CG2 4.37Å; V287-V324 HydrophobicContact CG1-CG1 4.08Å; V287-V324 HydrophobicContact CG2-CG1 4.18Å; I320-V324 HydrophobicContact CG2-CG2 4.14Å; I320-V324 WeakPolarHBondContact O-CB 3.37Å; I320-V324 VanDerWaalsContact O-CG2 3.24Å; I320-V324 WeakPolarHBondContact O-CG2 3.43Å; I320-V324 PolarHBondContact O-N 2.94Å; Q321-V324 PolarHBondContact O-N 3.21Å; H322-V324 PolarHBondContact O-N 3.01Å; V324-A326 VanDerWaalsContact C-N 3.32Å; V324-I327 CarbonylContact O-C 3.32Å; V324-I327 PolarHBondContact O-N 3.41Å; V324-P328 WeakPolarHBondContact O-CA 3.42Å; V324-P328 WeakPolarHBondContact O-CD 3.12Å; V324-P328 WeakPolarHBondContact O-CG 3.34Å; V324-P328 VanDerWaalsContact O-N 3.13Å; V324-V330 HydrophobicContact CG2-CG1 3.77Å; V324-L331 HydrophobicContact CG1-CD1 3.72Å; V324-L331 HydrophobicContact CG1-CD2 4.19Å; V324-L331 HydrophobicContact CG1-CG 4.03Å; V324-L331 HydrophobicContact CG2-CD2 3.67Å; V324-L331 HydrophobicContact CG2-CG 4.15Å |
| 325 | I | 97.5 | Very high | 97 | Very high | 45 Ų | 45 | 43.4 Ų | 43.4 | 23% | 0.231 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.8 | -45.9 | 174.2 | -69.9 | 164.5 | 0 | 0 | 0 | 109.7 | L279 N283 V287 R290 Q321 H322 | L279-I325 HydrophobicContact CD1-CG1 4.04Å; L279-I325 HydrophobicContact CD2-CD1 3.73Å; L279-I325 HydrophobicContact CD2-CG1 4.1Å; N283-I325 HydrophobicContact CB-CD1 4.18Å; N283-I325 HydrophobicContact CB-CG1 4.32Å; V287-I325 HydrophobicContact CG2-CG1 4.36Å; R290-I325 PolarHBondContact NH1-O 3.49Å; Q321-I325 WeakPolarHBondContact O-CB 3.48Å; Q321-I325 WeakPolarHBondContact O-CD1 3.39Å; Q321-I325 WeakPolarHBondContact O-CG1 3.35Å; Q321-I325 PolarHBondContact O-N 2.89Å; H322-I325 PolarHBondContact O-N 3.31Å |
| 326 | A | 96.6 | Very high | 96.9 | Very high | 27 Ų | 27 | 51.2 Ų | 51.2 | 22% | 0.223 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.8 | -40 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R290 H322 I323 V324 P360 | R290-A326 VanDerWaalsContact CZ-O 3.27Å; R290-A326 PolarHBondContact NH1-O 3.17Å; R290-A326 PolarHBondContact NH2-O 2.88Å; H322-A326 WeakPolarHBondContact O-CB 3.36Å; H322-A326 PolarHBondContact O-N 3.34Å; I323-A326 PolarHBondContact O-N 3.08Å; V324-A326 VanDerWaalsContact C-N 3.32Å; A326-P360 HydrophobicContact CB-CB 4.47Å; A326-P360 HydrophobicContact CB-CG 3.46Å; A326-P360 VanDerWaalsContact CB-CG 3.46Å |
| 327 | I | 96.3 | Very high | 96.7 | Very high | 8 Ų | 8 | 48.5 Ų | 48.5 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | trans | -143.2 | 84.4 | -171.9 | -49.6 | 178.1 | 0 | 0 | 0 | 111.1 | I323 V324 K329 V330 P360 Q361 N364 | I323-I327 PolarHBondContact O-N 2.69Å; V324-I327 CarbonylContact O-C 3.32Å; V324-I327 PolarHBondContact O-N 3.41Å; I327-K329 HydrophobicContact CG2-CB 4.22Å; I327-K329 PolarHBondContact O-N 3.34Å; I327-V330 WeakPolarHBondContact O-CG1 3.18Å; I327-V330 PolarHBondContact O-N 3.39Å; I327-P360 HydrophobicContact CD1-CB 3.7Å; I327-P360 HydrophobicContact CD1-CG 3.95Å; I327-P360 WeakPolarHBondContact CD1-O 3.34Å; I327-P360 HydrophobicContact CG1-CB 4.27Å; I327-P360 HydrophobicContact CG1-CG 4.23Å; I327-Q361 HydrophobicContact CD1-CB 4.26Å; I327-Q361 HydrophobicContact CD1-CG 4.12Å; I327-N364 HydrophobicContact CD1-CB 4.37Å; I327-N364 HydrophobicContact CG2-CB 3.92Å | ||
| 328 | P | 97.3 | Very high | 96.7 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 5% | 0.045 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -57.9 | -24 | 177.9 | -29.9 | 37.4 | 0 | 0 | 0 | 114.5 | V287 R290 L291 V324 V330 L331 | V287-P328 HydrophobicContact CB-CG 4.43Å; V287-P328 HydrophobicContact CG1-CB 4.01Å; V287-P328 HydrophobicContact CG1-CG 4.08Å; V287-P328 HydrophobicContact CG2-CG 4.5Å; R290-P328 HydrophobicContact CB-CG 4.09Å; L291-P328 HydrophobicContact CB-CB 3.75Å; L291-P328 HydrophobicContact CD2-CB 3.99Å; V324-P328 WeakPolarHBondContact O-CA 3.42Å; V324-P328 WeakPolarHBondContact O-CD 3.12Å; V324-P328 WeakPolarHBondContact O-CG 3.34Å; V324-P328 VanDerWaalsContact O-N 3.13Å; P328-V330 PolarHBondContact O-N 3.13Å; P328-V330 VanDerWaalsContact O-N 3.15Å; P328-L331 WeakPolarHBondContact O-CB 3.4Å; P328-L331 WeakPolarHBondContact O-CG 3.44Å; P328-L331 PolarHBondContact O-N 3.34Å; P328-L331 VanDerWaalsContact O-N 3.07Å |
| 329 | K | 96.1 | Very high | 96.7 | Very high | 88 Ų | 88 | 43.6 Ų | 43.6 | 38% | 0.383 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -60.7 | -22.3 | -179 | -73.7 | -170.5 | 173.7 | -172.4 | 0 | 113.6 | L291 I327 L331 T332 A333 | L291-K329 HydrophobicContact CD1-CG 4.4Å; L291-K329 HydrophobicContact CD2-CG 4.29Å; I327-K329 HydrophobicContact CG2-CB 4.22Å; I327-K329 PolarHBondContact O-N 3.34Å; K329-L331 PolarHBondContact O-N 2.97Å; K329-T332 PolarHBondContact O-N 3.35Å; K329-T332 VanDerWaalsContact O-N 3.14Å; K329-A333 PolarHBondContact O-N 3.4Å |
| 330 | V | 96.9 | Very high | 96.6 | Very high | 9 Ų | 9 | 46.1 Ų | 46.1 | 6% | 0.055 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -57.8 | -31.7 | 174.5 | 74.8 | 0 | 0 | 0 | 0 | 111.8 | N305 I323 V324 I327 P328 T332 L338 | N305-V330 PolarHBondContact ND2-O 3.01Å; I323-V330 HydrophobicContact CG2-CG1 4.23Å; V324-V330 HydrophobicContact CG2-CG1 3.77Å; I327-V330 WeakPolarHBondContact O-CG1 3.18Å; I327-V330 PolarHBondContact O-N 3.39Å; P328-V330 PolarHBondContact O-N 3.13Å; P328-V330 VanDerWaalsContact O-N 3.15Å; V330-T332 PolarHBondContact O-N 2.93Å; V330-L338 HydrophobicContact CG2-CD1 3.89Å; V330-L338 HydrophobicContact CG2-CD2 3.78Å |
| 331 | L | 97.1 | Very high | 96.6 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -68.1 | -20.7 | -179.2 | -62.3 | 178.5 | 0 | 0 | 0 | 113.7 | F273 L277 V287 L294 P301 V302 L306 V324 P328 K329 | F273-L331 HydrophobicContact CE1-CD1 4.37Å; L277-L331 HydrophobicContact CD1-CD1 4.31Å; L277-L331 HydrophobicContact CD2-CD1 4.37Å; L277-L331 HydrophobicContact CD2-CD2 3.99Å; V287-L331 HydrophobicContact CG1-CD1 4.37Å; L294-L331 HydrophobicContact CD1-CD1 4.04Å; L294-L331 HydrophobicContact CD2-CB 4.12Å; L294-L331 HydrophobicContact CD2-CD1 4.2Å; P301-L331 CarbonylContact C-O 3.59Å; V302-L331 VanDerWaalsContact CA-O 3.26Å; V302-L331 WeakPolarHBondContact CA-O 3.44Å; V302-L331 HydrophobicContact CG1-CB 4.33Å; V302-L331 HydrophobicContact CG1-CD2 4.24Å; V302-L331 HydrophobicContact CG2-CB 4.36Å; V302-L331 PolarHBondContact N-O 3.36Å; L306-L331 HydrophobicContact CD2-CD2 3.71Å; L306-L331 HydrophobicContact CG-CD2 4.03Å; V324-L331 HydrophobicContact CG1-CD1 3.72Å; V324-L331 HydrophobicContact CG1-CD2 4.19Å; V324-L331 HydrophobicContact CG1-CG 4.03Å; V324-L331 HydrophobicContact CG2-CD2 3.67Å; V324-L331 HydrophobicContact CG2-CG 4.15Å; P328-L331 WeakPolarHBondContact O-CB 3.4Å; P328-L331 WeakPolarHBondContact O-CG 3.44Å; P328-L331 PolarHBondContact O-N 3.34Å; P328-L331 VanDerWaalsContact O-N 3.07Å; K329-L331 PolarHBondContact O-N 2.97Å |
| 332 | T | 95.8 | Very high | 96.6 | Very high | 72 Ų | 72 | 44.3 Ų | 44.3 | 44% | 0.442 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -126.3 | 7.5 | -177.5 | 60.6 | 0 | 0 | 0 | 0 | 112.7 | L294 V302 K329 V330 | L294-T332 HydrophobicContact CD2-CG2 3.6Å; V302-T332 HydrophobicContact CG2-CG2 4.33Å; K329-T332 PolarHBondContact O-N 3.35Å; K329-T332 VanDerWaalsContact O-N 3.14Å; V330-T332 PolarHBondContact O-N 2.93Å |
| 333 | A | 95.1 | Very high | 96.6 | Very high | 30 Ų | 30 | 43.6 Ų | 43.6 | 25% | 0.248 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -65.7 | 152 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | N305 K329 K335 | N305-A333 PolarHBondContact ND2-N 3.33Å; N305-A333 PolarHBondContact ND2-O 3.49Å; K329-A333 PolarHBondContact O-N 3.4Å; A333-K335 PolarHBondContact O-N 3.22Å |
| 334 | S | 94.9 | Very high | 96.6 | Very high | 75 Ų | 75 | 44.3 Ų | 44.3 | 52% | 0.524 | 23% | 0.232 | S | C | . | . | trans | -62 | 126.4 | 170 | 172.4 | 0 | 0 | 0 | 0 | 109.7 | K336 K337 L338 | S334-K336 VanDerWaalsContact C-N 3.29Å; S334-K336 PolarHBondContact O-N 3.15Å; S334-K337 PolarHBondContact O-N 3.22Å; S334-K337 VanDerWaalsContact O-N 3.1Å; S334-L338 PolarHBondContact O-N 2.86Å | ||
| 335 | K | 94.5 | Very high | 96.6 | Very high | 72 Ų | 72 | 44.2 Ų | 44.2 | 31% | 0.313 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -47.7 | -51.3 | 174.8 | 177.2 | 176.1 | 179.2 | 169.2 | 0 | 111.6 | E304 V308 E312 A333 K337 L338 T339 | E304-K335 WeakPolarHBondContact OE1-CD 3.29Å; V308-K335 HydrophobicContact CG2-CD 3.87Å; V308-K335 HydrophobicContact CG2-CG 4.14Å; E312-K335 WeakPolarHBondContact OE1-CE 3.43Å; E312-K335 IonicContact OE1-NZ 2.79Å; E312-K335 PolarHBondContact OE1-NZ 3.42Å; E312-K335 WeakPolarHBondContact OE2-CE 3.37Å; E312-K335 IonicContact OE2-NZ 2.88Å; A333-K335 PolarHBondContact O-N 3.22Å; K335-K337 VanDerWaalsContact C-N 3.35Å; K335-K337 PolarHBondContact O-N 3.24Å; K335-L338 PolarHBondContact O-N 2.89Å; K335-L338 VanDerWaalsContact O-N 3.14Å; K335-T339 WeakPolarHBondContact O-CB 3.45Å; K335-T339 PolarHBondContact O-N 3.19Å; K335-T339 PolarHBondContact O-OG1 3.26Å; K335-T339 VanDerWaalsContact O-OG1 3.04Å |
| 336 | K | 95.8 | Very high | 96.7 | Very high | 169 Ų | 169 | 44.4 Ų | 44.4 | 74% | 0.735 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -53.9 | -49 | 179.6 | -177.7 | 179.5 | 178.2 | 179.1 | 0 | 112.3 | S334 Q340 | S334-K336 VanDerWaalsContact C-N 3.29Å; S334-K336 PolarHBondContact O-N 3.15Å; K336-Q340 VanDerWaalsContact O-CB 3.27Å; K336-Q340 WeakPolarHBondContact O-CB 3.49Å; K336-Q340 PolarHBondContact O-N 3.34Å |
| 337 | K | 95 | Very high | 96.7 | Very high | 84 Ų | 84 | 46.6 Ų | 46.6 | 37% | 0.365 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.1 | -45 | 179.7 | -177.2 | -174.3 | 173 | -166.9 | 0 | 110.8 | S334 K335 Q340 I341 S365 | S334-K337 PolarHBondContact O-N 3.22Å; S334-K337 VanDerWaalsContact O-N 3.1Å; K335-K337 VanDerWaalsContact C-N 3.35Å; K335-K337 PolarHBondContact O-N 3.24Å; K337-Q340 PolarHBondContact O-N 2.9Å; K337-I341 HydrophobicContact CG-CD1 4.03Å; K337-I341 WeakPolarHBondContact O-CG1 3.34Å; K337-I341 PolarHBondContact O-N 2.88Å; K337-I341 VanDerWaalsContact O-N 3.08Å; K337-S365 WeakPolarHBondContact CE-O 3.24Å; K337-S365 PolarHBondContact NZ-O 2.82Å |
| 338 | L | 96 | Very high | 96.7 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.6 | -46.7 | -176.8 | -173 | 65 | 0 | 0 | 0 | 111.4 | F313 V330 S334 K335 Q340 I341 F342 L363 | F313-L338 HydrophobicContact CE2-CD2 3.82Å; F313-L338 HydrophobicContact CE2-CG 3.68Å; F313-L338 HydrophobicContact CZ-CD2 4.27Å; F313-L338 HydrophobicContact CZ-CG 3.91Å; V330-L338 HydrophobicContact CG2-CD1 3.89Å; V330-L338 HydrophobicContact CG2-CD2 3.78Å; S334-L338 PolarHBondContact O-N 2.86Å; K335-L338 PolarHBondContact O-N 2.89Å; K335-L338 VanDerWaalsContact O-N 3.14Å; L338-Q340 PolarHBondContact O-N 3.28Å; L338-I341 PolarHBondContact O-N 3.47Å; L338-F342 PolarHBondContact O-N 2.91Å; L338-L363 HydrophobicContact CD1-CB 4.08Å; L338-L363 HydrophobicContact CD1-CD2 4.41Å |
| 339 | T | 97.1 | Very high | 96.7 | Very high | 44 Ų | 44 | 49.6 Ų | 49.6 | 27% | 0.27 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.7 | -44 | 175.5 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | F313 K335 I341 F342 D343 | F313-T339 HydrophobicContact CE1-CG2 4.23Å; K335-T339 WeakPolarHBondContact O-CB 3.45Å; K335-T339 PolarHBondContact O-N 3.19Å; K335-T339 PolarHBondContact O-OG1 3.26Å; K335-T339 VanDerWaalsContact O-OG1 3.04Å; T339-I341 VanDerWaalsContact C-N 3.32Å; T339-I341 PolarHBondContact O-N 3.1Å; T339-F342 PolarHBondContact O-N 2.78Å; T339-D343 WeakPolarHBondContact O-CB 3.42Å; T339-D343 PolarHBondContact O-N 3.25Å |
| 340 | Q | 97.4 | Very high | 96.8 | Very high | 82 Ų | 82 | 53 Ų | 53 | 38% | 0.383 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 178.2 | -173.9 | -178.8 | 26.6 | 0 | 0 | 112.4 | K336 K337 L338 F344 F367 | K336-Q340 VanDerWaalsContact O-CB 3.27Å; K336-Q340 WeakPolarHBondContact O-CB 3.49Å; K336-Q340 PolarHBondContact O-N 3.34Å; K337-Q340 PolarHBondContact O-N 2.9Å; L338-Q340 PolarHBondContact O-N 3.28Å; Q340-F344 WeakPolarHBondContact O-CB 3.48Å; Q340-F344 PolarHBondContact O-N 3.44Å; Q340-F367 HydrophobicContact CG-CD1 4.24Å; Q340-F367 HydrophobicContact CG-CD2 3.72Å; Q340-F367 HydrophobicContact CG-CE1 4.14Å; Q340-F367 HydrophobicContact CG-CE2 3.6Å; Q340-F367 HydrophobicContact CG-CG 4.04Å; Q340-F367 HydrophobicContact CG-CZ 3.82Å |
| 341 | I | 97.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.8 | -47.1 | 176.7 | -68.6 | 169.1 | 0 | 0 | 0 | 110.6 | K337 L338 T339 F344 V345 V362 L363 S365 F367 L370 | K337-I341 HydrophobicContact CG-CD1 4.03Å; K337-I341 WeakPolarHBondContact O-CG1 3.34Å; K337-I341 PolarHBondContact O-N 2.88Å; K337-I341 VanDerWaalsContact O-N 3.08Å; L338-I341 PolarHBondContact O-N 3.47Å; T339-I341 VanDerWaalsContact C-N 3.32Å; T339-I341 PolarHBondContact O-N 3.1Å; I341-F344 PolarHBondContact O-N 3.17Å; I341-V345 HydrophobicContact CG2-CG2 4.29Å; I341-V345 WeakPolarHBondContact O-CB 3.33Å; I341-V345 VanDerWaalsContact O-CG2 3.24Å; I341-V345 WeakPolarHBondContact O-CG2 3.2Å; I341-V345 PolarHBondContact O-N 3.37Å; I341-V362 WeakPolarHBondContact CG2-O 3.27Å; I341-L363 HydrophobicContact CG2-CD2 4.33Å; I341-S365 WeakPolarHBondContact CD1-O 3.41Å; I341-F367 HydrophobicContact CG1-CB 4.12Å; I341-F367 HydrophobicContact CG1-CD2 4.21Å; I341-L370 HydrophobicContact CG2-CD1 3.97Å |
| 342 | F | 98.1 | Very high | 96.8 | Very high | 11 Ų | 11 | 54.7 Ų | 54.7 | 5% | 0.048 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.1 | -48 | -179.4 | 176.4 | -95.1 | 0 | 0 | 0 | 111.9 | F313 F315 L338 T339 F344 V345 H346 H353 I356 L363 | F313-F342 HydrophobicContact CB-CD1 3.97Å; F313-F342 HydrophobicContact CB-CD2 4.04Å; F313-F342 HydrophobicContact CB-CE1 3.71Å; F313-F342 HydrophobicContact CB-CE2 3.79Å; F313-F342 HydrophobicContact CB-CG 4.13Å; F313-F342 HydrophobicContact CB-CZ 3.62Å; F313-F342 HydrophobicContact CD1-CB 4.05Å; F313-F342 AromaticContact CD1-CD1 3.23Å; F313-F342 HydrophobicContact CD1-CD1 3.23Å; F313-F342 HydrophobicContact CD1-CD2 4.35Å; F313-F342 AromaticContact CD1-CE1 3.73Å; F313-F342 HydrophobicContact CD1-CE1 3.73Å; F313-F342 AromaticContact CD1-CG 3.6Å; F313-F342 HydrophobicContact CD1-CG 3.6Å; F313-F342 HydrophobicContact CD1-CZ 4.46Å; F313-F342 HydrophobicContact CD2-CB 4.2Å; F313-F342 HydrophobicContact CD2-CD1 4.37Å; F313-F342 HydrophobicContact CD2-CD2 4.06Å; F313-F342 AromaticContact CD2-CG 3.92Å; F313-F342 HydrophobicContact CD2-CG 3.92Å; F313-F342 HydrophobicContact CE1-CB 3.86Å; F313-F342 AromaticContact CE1-CD1 3.79Å; F313-F342 HydrophobicContact CE1-CD1 3.79Å; F313-F342 AromaticContact CE1-CG 3.95Å; F313-F342 HydrophobicContact CE1-CG 3.95Å; F313-F342 HydrophobicContact CE2-CB 4.02Å; F313-F342 HydrophobicContact CE2-CG 4.25Å; F313-F342 HydrophobicContact CG-CB 4.23Å; F313-F342 AromaticContact CG-CD1 3.6Å; F313-F342 HydrophobicContact CG-CD1 3.6Å; F313-F342 AromaticContact CG-CD2 3.9Å; F313-F342 HydrophobicContact CG-CD2 3.9Å; F313-F342 AromaticContact CG-CE1 3.88Å; F313-F342 HydrophobicContact CG-CE1 3.88Å; F313-F342 HydrophobicContact CG-CE2 4.17Å; F313-F342 AromaticContact CG-CG 3.6Å; F313-F342 HydrophobicContact CG-CG 3.6Å; F313-F342 HydrophobicContact CG-CZ 4.16Å; F313-F342 HydrophobicContact CZ-CB 3.85Å; F313-F342 HydrophobicContact CZ-CG 4.27Å; F313-F342 VanDerWaalsContact O-CZ 3.27Å; F313-F342 WeakPolarHBondContact O-CZ 2.96Å; F315-F342 AromaticContact CE2-CD2 3.8Å; F315-F342 HydrophobicContact CE2-CD2 3.8Å; F315-F342 AromaticContact CE2-CE2 3.56Å; F315-F342 HydrophobicContact CE2-CE2 3.56Å; F315-F342 HydrophobicContact CZ-CD2 4.04Å; F315-F342 AromaticContact CZ-CE2 3.62Å; F315-F342 HydrophobicContact CZ-CE2 3.62Å; L338-F342 PolarHBondContact O-N 2.91Å; T339-F342 PolarHBondContact O-N 2.78Å; F342-F344 VanDerWaalsContact C-N 3.32Å; F342-F344 PolarHBondContact O-N 2.91Å; F342-V345 PolarHBondContact O-N 3.25Å; F342-H346 HydrophobicContact CE1-CB 4.06Å; F342-H346 HydrophobicContact CE2-CB 4.1Å; F342-H346 HydrophobicContact CZ-CB 3.83Å; F342-H346 AromaticContact CZ-CG 3.88Å; F342-H346 VanDerWaalsContact O-CB 3.31Å; F342-H346 WeakPolarHBondContact O-CB 3.24Å; F342-H346 PolarHBondContact O-N 3.34Å; F342-H353 AromaticContact CZ-NE2 3.75Å; F342-I356 HydrophobicContact CD2-CD1 4.26Å; F342-I356 HydrophobicContact CE2-CD1 3.99Å; F342-L363 HydrophobicContact CB-CD2 4.4Å |
| 343 | D | 98.1 | Very high | 96.9 | Very high | 81 Ų | 81 | 53.4 Ų | 53.4 | 43% | 0.433 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57.2 | -46.1 | 178.4 | -178 | 59.9 | 0 | 0 | 0 | 111.3 | T339 N347 T348 | T339-D343 WeakPolarHBondContact O-CB 3.42Å; T339-D343 PolarHBondContact O-N 3.25Å; D343-N347 WeakPolarHBondContact O-CA 3.3Å; D343-N347 WeakPolarHBondContact O-CB 3.21Å; D343-N347 PolarHBondContact O-N 2.99Å; D343-N347 PolarHBondContact OD1-ND2 2.87Å; D343-T348 PolarHBondContact O-N 3Å |
| 344 | F | 98.3 | Very high | 97 | Very high | 18 Ų | 18 | 57.5 Ų | 57.5 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -63.9 | -45.7 | 177.1 | -172.9 | -101.6 | 0 | 0 | 0 | 112.6 | Q340 I341 F342 T348 M349 F367 R371 H374 | Q340-F344 WeakPolarHBondContact O-CB 3.48Å; Q340-F344 PolarHBondContact O-N 3.44Å; I341-F344 PolarHBondContact O-N 3.17Å; F342-F344 VanDerWaalsContact C-N 3.32Å; F342-F344 PolarHBondContact O-N 2.91Å; F344-T348 HydrophobicContact CD2-CG2 4.12Å; F344-T348 HydrophobicContact CE2-CG2 3.87Å; F344-T348 CarbonylContact O-C 3.6Å; F344-T348 WeakPolarHBondContact O-CA 3.36Å; F344-T348 WeakPolarHBondContact O-CB 3.4Å; F344-T348 PolarHBondContact O-N 3.44Å; F344-T348 VanDerWaalsContact O-N 3.14Å; F344-M349 HydrophobicContact CD1-CG 4.17Å; F344-M349 HydrophobicContact CD1-SD 3.84Å; F344-M349 HydrophobicContact CE1-CG 3.97Å; F344-M349 HydrophobicContact CE1-SD 3.78Å; F344-M349 WeakPolarHBondContact O-CG 3.44Å; F344-M349 PolarHBondContact O-N 2.94Å; F344-F367 HydrophobicContact CB-CE2 3.78Å; F344-F367 HydrophobicContact CD1-CE2 4.41Å; F344-F367 HydrophobicContact CD2-CE2 4.24Å; F344-F367 HydrophobicContact CD2-CZ 4.48Å; F344-F367 AromaticContact CG-CE2 3.89Å; F344-F367 HydrophobicContact CG-CE2 3.89Å; F344-R371 HydrophobicContact CE1-CB 4.23Å; F344-R371 HydrophobicContact CE2-CB 4.36Å; F344-R371 HydrophobicContact CE2-CG 4.07Å; F344-R371 VanDerWaalsContact CZ-CA 3.49Å; F344-R371 HydrophobicContact CZ-CB 3.94Å; F344-R371 HydrophobicContact CZ-CG 3.96Å; F344-H374 HydrophobicContact CE1-CB 3.87Å; F344-H374 AromaticContact CE1-CD2 3.98Å; F344-H374 HydrophobicContact CZ-CB 3.95Å; F344-H374 AromaticContact CZ-CD2 3.48Å; F344-H374 VanDerWaalsContact CZ-CD2 3.48Å; F344-H374 WeakPolarHBondContact CZ-CD2 3.13Å |
| 345 | V | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -69 | -44.1 | -178.6 | 174.4 | 0 | 0 | 0 | 0 | 111.7 | I341 F342 M349 V351 I356 V362 L370 | I341-V345 HydrophobicContact CG2-CG2 4.29Å; I341-V345 WeakPolarHBondContact O-CB 3.33Å; I341-V345 VanDerWaalsContact O-CG2 3.24Å; I341-V345 WeakPolarHBondContact O-CG2 3.2Å; I341-V345 PolarHBondContact O-N 3.37Å; F342-V345 PolarHBondContact O-N 3.25Å; V345-M349 HydrophobicContact CB-SD 4.27Å; V345-M349 HydrophobicContact CG2-SD 3.9Å; V345-M349 WeakPolarHBondContact O-CB 3.25Å; V345-V351 HydrophobicContact CG1-CB 3.84Å; V345-V351 HydrophobicContact CG1-CG1 4.18Å; V345-V351 HydrophobicContact CG1-CG2 4.11Å; V345-V351 WeakPolarHBondContact O-CB 3.42Å; V345-V351 PolarHBondContact O-N 3.39Å; V345-V351 VanDerWaalsContact O-N 3.12Å; V345-I356 HydrophobicContact CG1-CD1 3.83Å; V345-I356 HydrophobicContact CG1-CG1 3.88Å; V345-V362 HydrophobicContact CG1-CG2 4.47Å; V345-V362 HydrophobicContact CG2-CG2 3.68Å; V345-L370 HydrophobicContact CG2-CD1 4.44Å |
| 346 | H | 98.1 | Very high | 97.3 | Very high | 49 Ų | 49 | 50.9 Ų | 50.9 | 23% | 0.227 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -81.7 | -49.2 | -176.1 | -172 | 57.7 | 0 | 0 | 0 | 112.3 | F342 K350 V351 H353 I356 | F342-H346 HydrophobicContact CE1-CB 4.06Å; F342-H346 HydrophobicContact CE2-CB 4.1Å; F342-H346 HydrophobicContact CZ-CB 3.83Å; F342-H346 AromaticContact CZ-CG 3.88Å; F342-H346 VanDerWaalsContact O-CB 3.31Å; F342-H346 WeakPolarHBondContact O-CB 3.24Å; F342-H346 PolarHBondContact O-N 3.34Å; H346-K350 VanDerWaalsContact O-CA 3.25Å; H346-K350 WeakPolarHBondContact O-CA 3.47Å; H346-K350 PolarHBondContact O-N 2.83Å; H346-V351 PolarHBondContact ND1-O 3.06Å; H346-H353 AromaticContact CE1-CE1 3.25Å; H346-H353 PolarHBondContact CE1-CE1 2.74Å; H346-H353 AromaticContact CE1-ND1 3.39Å; H346-H353 PolarHBondContact CE1-ND1 2.97Å; H346-H353 AromaticContact ND1-CE1 3.86Å; H346-H353 AromaticContact ND1-ND1 3.91Å; H346-H353 AromaticContact NE2-CE1 3.37Å; H346-H353 PolarHBondContact NE2-CE1 2.94Å; H346-H353 AromaticContact NE2-ND1 3.97Å; H346-I356 HydrophobicContact CB-CD1 4.26Å |
| 347 | N | 97.2 | Very high | 97.4 | Very high | 73 Ų | 73 | 43.5 Ų | 43.5 | 39% | 0.39 | 22% | 0.217 | S | C | . | . | I | π-helix | trans | -90.1 | -36.7 | -171.3 | -60.8 | -43.7 | 0 | 0 | 0 | 113.1 | D343 K350 | D343-N347 WeakPolarHBondContact O-CA 3.3Å; D343-N347 WeakPolarHBondContact O-CB 3.21Å; D343-N347 PolarHBondContact O-N 2.99Å; D343-N347 PolarHBondContact OD1-ND2 2.87Å; N347-K350 WeakPolarHBondContact O-CD 3.31Å; N347-K350 WeakPolarHBondContact O-CE 3.47Å; N347-K350 PolarHBondContact O-NZ 3.27Å |
| 348 | T | 97.1 | Very high | 97.5 | Very high | 67 Ų | 67 | 45.6 Ų | 45.6 | 41% | 0.411 | 23% | 0.226 | S | C | . | . | I | π-helix | trans | -84 | -57.2 | 176.1 | -49.4 | 0 | 0 | 0 | 0 | 111.1 | D343 F344 K350 | D343-T348 PolarHBondContact O-N 3Å; F344-T348 HydrophobicContact CD2-CG2 4.12Å; F344-T348 HydrophobicContact CE2-CG2 3.87Å; F344-T348 CarbonylContact O-C 3.6Å; F344-T348 WeakPolarHBondContact O-CA 3.36Å; F344-T348 WeakPolarHBondContact O-CB 3.4Å; F344-T348 PolarHBondContact O-N 3.44Å; F344-T348 VanDerWaalsContact O-N 3.14Å; T348-K350 PolarHBondContact O-N 3.5Å |
| 349 | M | 97.2 | Very high | 97.5 | Very high | 11 Ų | 11 | 47.4 Ų | 47.4 | 5% | 0.054 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -76.6 | -5.1 | -176.8 | -53.8 | 168.4 | 54 | 0 | 0 | 113.8 | F344 V345 V351 H374 Y385 L395 L398 | F344-M349 HydrophobicContact CD1-CG 4.17Å; F344-M349 HydrophobicContact CD1-SD 3.84Å; F344-M349 HydrophobicContact CE1-CG 3.97Å; F344-M349 HydrophobicContact CE1-SD 3.78Å; F344-M349 WeakPolarHBondContact O-CG 3.44Å; F344-M349 PolarHBondContact O-N 2.94Å; V345-M349 HydrophobicContact CB-SD 4.27Å; V345-M349 HydrophobicContact CG2-SD 3.9Å; V345-M349 WeakPolarHBondContact O-CB 3.25Å; M349-V351 HydrophobicContact CB-CG2 3.8Å; M349-V351 HydrophobicContact CE-CG2 4.2Å; M349-V351 PolarHBondContact O-N 3.41Å; M349-H374 HydrophobicContact CG-CB 4.28Å; M349-H374 HydrophobicContact SD-CB 4.32Å; M349-Y385 HydrophobicContact CB-CD2 4.12Å; M349-Y385 HydrophobicContact CB-CE2 3.84Å; M349-Y385 HydrophobicContact CE-CD1 4.4Å; M349-Y385 HydrophobicContact CE-CD2 4.04Å; M349-Y385 HydrophobicContact CE-CE1 3.95Å; M349-Y385 HydrophobicContact CE-CE2 3.53Å; M349-Y385 HydrophobicContact CE-CG 4.46Å; M349-Y385 VanDerWaalsContact CE-CZ 3.49Å; M349-Y385 HydrophobicContact CG-CE2 4.28Å; M349-L395 HydrophobicContact CE-CD2 4.08Å; M349-L398 HydrophobicContact CE-CD2 3.44Å; M349-L398 VanDerWaalsContact CE-CD2 3.44Å |
| 350 | K | 97.3 | Very high | 97.4 | Very high | 159 Ų | 159 | 45.7 Ų | 45.7 | 69% | 0.691 | 22% | 0.223 | S | C | * | . | trans | 57.8 | 30.7 | -179.6 | -53.4 | -55.8 | -176.9 | -170.6 | 0 | 114.2 | H346 N347 T348 | H346-K350 VanDerWaalsContact O-CA 3.25Å; H346-K350 WeakPolarHBondContact O-CA 3.47Å; H346-K350 PolarHBondContact O-N 2.83Å; N347-K350 WeakPolarHBondContact O-CD 3.31Å; N347-K350 WeakPolarHBondContact O-CE 3.47Å; N347-K350 PolarHBondContact O-NZ 3.27Å; T348-K350 PolarHBondContact O-N 3.5Å | ||
| 351 | V | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -83.8 | 124.7 | -178.4 | -179.6 | 0 | 0 | 0 | 0 | 110.2 | V345 H346 M349 L355 I356 Y385 L395 | V345-V351 HydrophobicContact CG1-CB 3.84Å; V345-V351 HydrophobicContact CG1-CG1 4.18Å; V345-V351 HydrophobicContact CG1-CG2 4.11Å; V345-V351 WeakPolarHBondContact O-CB 3.42Å; V345-V351 PolarHBondContact O-N 3.39Å; V345-V351 VanDerWaalsContact O-N 3.12Å; H346-V351 PolarHBondContact ND1-O 3.06Å; M349-V351 HydrophobicContact CB-CG2 3.8Å; M349-V351 HydrophobicContact CE-CG2 4.2Å; M349-V351 PolarHBondContact O-N 3.41Å; V351-L355 HydrophobicContact CG1-CB 3.88Å; V351-L355 HydrophobicContact CG1-CD1 4.44Å; V351-I356 HydrophobicContact CG1-CG1 3.85Å; V351-Y385 HydrophobicContact CG2-CD2 3.92Å; V351-Y385 HydrophobicContact CG2-CG 4.1Å; V351-L395 HydrophobicContact CG1-CD1 3.68Å; V351-L395 HydrophobicContact CG1-CD2 4.2Å; V351-L395 HydrophobicContact CG1-CG 4.38Å; V351-L395 HydrophobicContact CG2-CD2 4Å | ||
| 352 | P | 97.3 | Very high | 97.2 | Very high | 48 Ų | 48 | 45.3 Ų | 45.3 | 31% | 0.312 | 22% | 0.222 | S | C | . | . | trans | -73.3 | 155.1 | -179.4 | 30.6 | -37.4 | 0 | 0 | 0 | 112.9 | H354 L355 I356 | P352-H354 VanDerWaalsContact C-N 3.31Å; P352-H354 WeakPolarHBondContact CG-CE1 3.49Å; P352-H354 PolarHBondContact O-N 3.36Å; P352-L355 HydrophobicContact CG-CB 4.39Å; P352-L355 HydrophobicContact CG-CD1 3.92Å; P352-L355 HydrophobicContact CG-CG 3.97Å; P352-L355 PolarHBondContact O-N 2.84Å; P352-L355 VanDerWaalsContact O-N 3.08Å; P352-I356 PolarHBondContact O-N 3.45Å | ||
| 353 | H | 97.9 | Very high | 97.1 | Very high | 45 Ų | 45 | 45.3 Ų | 45.3 | 21% | 0.208 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -50.3 | -45.6 | -177.4 | -67.5 | 69.7 | 0 | 0 | 0 | 113.9 | F313 F315 F342 H346 L355 I356 T357 | F313-H353 PolarHBondContact O-CD2 3.4Å; F313-H353 PolarHBondContact O-NE2 3.43Å; F315-H353 HydrophobicContact CD1-CB 4.25Å; F315-H353 AromaticContact CD1-CD2 3.72Å; F315-H353 HydrophobicContact CE1-CB 3.97Å; F315-H353 AromaticContact CE1-CD2 3.69Å; F342-H353 AromaticContact CZ-NE2 3.75Å; H346-H353 AromaticContact CE1-CE1 3.25Å; H346-H353 PolarHBondContact CE1-CE1 2.74Å; H346-H353 AromaticContact CE1-ND1 3.39Å; H346-H353 PolarHBondContact CE1-ND1 2.97Å; H346-H353 AromaticContact ND1-CE1 3.86Å; H346-H353 AromaticContact ND1-ND1 3.91Å; H346-H353 AromaticContact NE2-CE1 3.37Å; H346-H353 PolarHBondContact NE2-CE1 2.94Å; H346-H353 AromaticContact NE2-ND1 3.97Å; H353-L355 PolarHBondContact O-N 2.79Å; H353-I356 CarbonylContact O-C 3.35Å; H353-I356 WeakPolarHBondContact O-CA 3.22Å; H353-I356 WeakPolarHBondContact O-CB 3.5Å; H353-I356 PolarHBondContact O-N 2.87Å; H353-T357 PolarHBondContact O-N 2.98Å; H353-T357 PolarHBondContact O-OG1 3.38Å; H353-T357 VanDerWaalsContact O-OG1 3.07Å |
| 354 | H | 97 | Very high | 96.9 | Very high | 116 Ų | 116 | 44.7 Ų | 44.7 | 54% | 0.537 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.2 | -32.6 | -176.6 | 68.4 | -92.5 | 0 | 0 | 0 | 112.7 | P352 K358 | P352-H354 VanDerWaalsContact C-N 3.31Å; P352-H354 WeakPolarHBondContact CG-CE1 3.49Å; P352-H354 PolarHBondContact O-N 3.36Å; H354-K358 WeakPolarHBondContact O-CB 3.38Å; H354-K358 PolarHBondContact O-N 3.41Å |
| 355 | L | 97.2 | Very high | 96.6 | Very high | 8 Ų | 8 | 44.5 Ų | 44.5 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -74.3 | -38.2 | 174.1 | -67.2 | -176 | 0 | 0 | 0 | 111.9 | V351 P352 H353 T357 K358 F359 Y385 P387 L395 | V351-L355 HydrophobicContact CG1-CB 3.88Å; V351-L355 HydrophobicContact CG1-CD1 4.44Å; P352-L355 HydrophobicContact CG-CB 4.39Å; P352-L355 HydrophobicContact CG-CD1 3.92Å; P352-L355 HydrophobicContact CG-CG 3.97Å; P352-L355 PolarHBondContact O-N 2.84Å; P352-L355 VanDerWaalsContact O-N 3.08Å; H353-L355 PolarHBondContact O-N 2.79Å; L355-T357 VanDerWaalsContact C-N 3.3Å; L355-T357 PolarHBondContact O-N 3.32Å; L355-K358 PolarHBondContact O-N 3.46Å; L355-F359 WeakPolarHBondContact O-CD2 3.44Å; L355-F359 PolarHBondContact O-N 3.18Å; L355-Y385 WeakPolarHBondContact CD1-O 3.47Å; L355-P387 HydrophobicContact CD1-CG 4.15Å; L355-P387 HydrophobicContact CD2-CG 3.7Å; L355-L395 HydrophobicContact CB-CD1 4.49Å |
| 356 | I | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 173.5 | -55.7 | 173.6 | 0 | 0 | 0 | 109.9 | F315 F342 V345 H346 V351 P352 H353 F359 P360 V362 L363 L395 | F315-I356 HydrophobicContact CE1-CB 4.33Å; F315-I356 HydrophobicContact CE1-CG2 4.39Å; F315-I356 HydrophobicContact CZ-CB 4.13Å; F315-I356 HydrophobicContact CZ-CG2 3.79Å; F342-I356 HydrophobicContact CD2-CD1 4.26Å; F342-I356 HydrophobicContact CE2-CD1 3.99Å; V345-I356 HydrophobicContact CG1-CD1 3.83Å; V345-I356 HydrophobicContact CG1-CG1 3.88Å; H346-I356 HydrophobicContact CB-CD1 4.26Å; V351-I356 HydrophobicContact CG1-CG1 3.85Å; P352-I356 PolarHBondContact O-N 3.45Å; H353-I356 CarbonylContact O-C 3.35Å; H353-I356 WeakPolarHBondContact O-CA 3.22Å; H353-I356 WeakPolarHBondContact O-CB 3.5Å; H353-I356 PolarHBondContact O-N 2.87Å; I356-F359 CarbonylContact O-C 3.13Å; I356-F359 PolarHBondContact O-N 3.39Å; I356-P360 VanDerWaalsContact O-CA 3.25Å; I356-P360 WeakPolarHBondContact O-CA 3.47Å; I356-P360 VanDerWaalsContact O-N 3.1Å; I356-V362 HydrophobicContact CG2-CG1 3.97Å; I356-L363 HydrophobicContact CG2-CD1 4.16Å; I356-L363 HydrophobicContact CG2-CD2 4.15Å; I356-L363 HydrophobicContact CG2-CG 4.09Å; I356-L395 HydrophobicContact CG1-CD1 4.42Å |
| 357 | T | 97.7 | Very high | 96.3 | Very high | 14 Ų | 14 | 51.4 Ų | 51.4 | 9% | 0.086 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.6 | -37.5 | 175.3 | -56.4 | 0 | 0 | 0 | 0 | 112.2 | E319 H322 I323 H353 L355 P360 | E319-T357 HydrophobicContact CB-CG2 3.84Å; E319-T357 HydrophobicContact CG-CG2 4.03Å; H322-T357 HydrophobicContact CB-CG2 4Å; H322-T357 PolarHBondContact CE1-O 2.97Å; H322-T357 VanDerWaalsContact CE1-O 3.24Å; H322-T357 PolarHBondContact ND1-O 2.88Å; I323-T357 HydrophobicContact CG1-CG2 4.38Å; H353-T357 PolarHBondContact O-N 2.98Å; H353-T357 PolarHBondContact O-OG1 3.38Å; H353-T357 VanDerWaalsContact O-OG1 3.07Å; L355-T357 VanDerWaalsContact C-N 3.3Å; L355-T357 PolarHBondContact O-N 3.32Å; T357-P360 WeakPolarHBondContact O-CD 3.45Å |
| 358 | K | 96.5 | Very high | 96.2 | Very high | 127 Ų | 127 | 52.7 Ų | 52.7 | 55% | 0.552 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -66.5 | -36.5 | 175.1 | -173.7 | 175.5 | 179.9 | 177.9 | 0 | 111.9 | H354 L355 P360 | H354-K358 WeakPolarHBondContact O-CB 3.38Å; H354-K358 PolarHBondContact O-N 3.41Å; L355-K358 PolarHBondContact O-N 3.46Å; K358-P360 VanDerWaalsContact C-CD 3.45Å; K358-P360 WeakPolarHBondContact O-CD 3.2Å |
| 359 | F | 96.6 | Very high | 96.1 | Very high | 41 Ų | 41 | 53.2 Ų | 53.2 | 18% | 0.18 | 25% | 0.25 | C | C | . | . | trans | -123.1 | 66.5 | -179.8 | -56.7 | -71.3 | 0 | 0 | 0 | 111.9 | L355 I356 Q361 V362 Y392 L395 D396 | L355-F359 WeakPolarHBondContact O-CD2 3.44Å; L355-F359 PolarHBondContact O-N 3.18Å; I356-F359 CarbonylContact O-C 3.13Å; I356-F359 PolarHBondContact O-N 3.39Å; F359-Q361 PolarHBondContact O-N 2.93Å; F359-V362 WeakPolarHBondContact O-CG1 3.33Å; F359-V362 PolarHBondContact O-N 3.46Å; F359-Y392 VanDerWaalsContact CE2-OH 3.3Å; F359-Y392 WeakPolarHBondContact CE2-OH 3.45Å; F359-L395 HydrophobicContact CB-CB 3.83Å; F359-L395 HydrophobicContact CB-CD1 4.31Å; F359-L395 HydrophobicContact CD2-CB 4.34Å; F359-L395 HydrophobicContact CG-CB 4.29Å; F359-D396 HydrophobicContact CD1-CB 3.83Å; F359-D396 HydrophobicContact CE1-CB 4.41Å | ||
| 360 | P | 96.4 | Very high | 96 | Very high | 8 Ų | 8 | 52.8 Ų | 52.8 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -65.8 | -14.7 | -172.1 | 27.6 | -33.8 | 0 | 0 | 0 | 112.5 | I323 A326 I327 I356 T357 K358 V362 L363 | I323-P360 HydrophobicContact CB-CB 4.32Å; I323-P360 HydrophobicContact CG1-CB 4.1Å; I323-P360 HydrophobicContact CG2-CB 4.09Å; A326-P360 HydrophobicContact CB-CB 4.47Å; A326-P360 HydrophobicContact CB-CG 3.46Å; A326-P360 VanDerWaalsContact CB-CG 3.46Å; I327-P360 HydrophobicContact CD1-CB 3.7Å; I327-P360 HydrophobicContact CD1-CG 3.95Å; I327-P360 WeakPolarHBondContact CD1-O 3.34Å; I327-P360 HydrophobicContact CG1-CB 4.27Å; I327-P360 HydrophobicContact CG1-CG 4.23Å; I356-P360 VanDerWaalsContact O-CA 3.25Å; I356-P360 WeakPolarHBondContact O-CA 3.47Å; I356-P360 VanDerWaalsContact O-N 3.1Å; T357-P360 WeakPolarHBondContact O-CD 3.45Å; K358-P360 VanDerWaalsContact C-CD 3.45Å; K358-P360 WeakPolarHBondContact O-CD 3.2Å; P360-V362 PolarHBondContact O-N 2.95Å; P360-V362 VanDerWaalsContact O-N 3.09Å; P360-L363 WeakPolarHBondContact O-CB 3.39Å; P360-L363 PolarHBondContact O-N 3.27Å |
| 361 | Q | 94.8 | Very high | 96 | Very high | 75 Ų | 75 | 49 Ų | 49 | 35% | 0.35 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -57.7 | -28.2 | -177.7 | -61 | -65.6 | 9 | 0 | 0 | 112.2 | I327 F359 L363 N364 S365 | I327-Q361 HydrophobicContact CD1-CB 4.26Å; I327-Q361 HydrophobicContact CD1-CG 4.12Å; F359-Q361 PolarHBondContact O-N 2.93Å; Q361-L363 PolarHBondContact O-N 2.92Å; Q361-N364 PolarHBondContact O-N 3.24Å; Q361-S365 PolarHBondContact O-N 3.09Å; Q361-S365 PolarHBondContact O-OG 2.97Å |
| 362 | V | 95.9 | Very high | 96 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -54 | -36.4 | 173.3 | 76.1 | 0 | 0 | 0 | 0 | 112.3 | I341 V345 I356 F359 P360 N364 S365 L370 L395 | I341-V362 WeakPolarHBondContact CG2-O 3.27Å; V345-V362 HydrophobicContact CG1-CG2 4.47Å; V345-V362 HydrophobicContact CG2-CG2 3.68Å; I356-V362 HydrophobicContact CG2-CG1 3.97Å; F359-V362 WeakPolarHBondContact O-CG1 3.33Å; F359-V362 PolarHBondContact O-N 3.46Å; P360-V362 PolarHBondContact O-N 2.95Å; P360-V362 VanDerWaalsContact O-N 3.09Å; V362-N364 VanDerWaalsContact C-N 3.27Å; V362-N364 PolarHBondContact O-N 3.12Å; V362-S365 WeakPolarHBondContact O-CB 3.06Å; V362-S365 PolarHBondContact O-N 3.36Å; V362-L370 HydrophobicContact CG2-CD1 3.67Å; V362-L370 HydrophobicContact CG2-CD2 3.96Å; V362-L370 HydrophobicContact CG2-CG 4.5Å; V362-L395 HydrophobicContact CB-CB 4.42Å; V362-L395 HydrophobicContact CG1-CD1 4.35Å |
| 363 | L | 95.9 | Very high | 96 | Very high | 11 Ų | 11 | 48.9 Ų | 48.9 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -72.5 | -17.7 | 179.8 | -61.4 | 177 | 0 | 0 | 0 | 113.5 | I323 L338 I341 F342 I356 P360 Q361 | I323-L363 HydrophobicContact CD1-CD1 4.46Å; I323-L363 HydrophobicContact CG2-CD1 4.01Å; L338-L363 HydrophobicContact CD1-CB 4.08Å; L338-L363 HydrophobicContact CD1-CD2 4.41Å; I341-L363 HydrophobicContact CG2-CD2 4.33Å; F342-L363 HydrophobicContact CB-CD2 4.4Å; I356-L363 HydrophobicContact CG2-CD1 4.16Å; I356-L363 HydrophobicContact CG2-CD2 4.15Å; I356-L363 HydrophobicContact CG2-CG 4.09Å; P360-L363 WeakPolarHBondContact O-CB 3.39Å; P360-L363 PolarHBondContact O-N 3.27Å; Q361-L363 PolarHBondContact O-N 2.92Å |
| 364 | N | 92.9 | Very high | 96 | Very high | 68 Ų | 68 | 47 Ų | 47 | 36% | 0.364 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -99.8 | -4.7 | 178 | -170.7 | 41.2 | 0 | 0 | 0 | 112.9 | I327 Q361 V362 | I327-N364 HydrophobicContact CD1-CB 4.37Å; I327-N364 HydrophobicContact CG2-CB 3.92Å; Q361-N364 PolarHBondContact O-N 3.24Å; V362-N364 VanDerWaalsContact C-N 3.27Å; V362-N364 PolarHBondContact O-N 3.12Å |
| 365 | S | 92.5 | Very high | 96 | Very high | 14 Ų | 14 | 43.1 Ų | 43.1 | 10% | 0.098 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -69.2 | 169.7 | -177.3 | -67.5 | 0 | 0 | 0 | 0 | 113.9 | K337 I341 Q361 V362 A399 | K337-S365 WeakPolarHBondContact CE-O 3.24Å; K337-S365 PolarHBondContact NZ-O 2.82Å; I341-S365 WeakPolarHBondContact CD1-O 3.41Å; Q361-S365 PolarHBondContact O-N 3.09Å; Q361-S365 PolarHBondContact O-OG 2.97Å; V362-S365 WeakPolarHBondContact O-CB 3.06Å; V362-S365 PolarHBondContact O-N 3.36Å; S365-A399 VanDerWaalsContact OG-CB 3.26Å; S365-A399 WeakPolarHBondContact OG-CB 3.25Å |
| 366 | K | 94.1 | Very high | 96.1 | Very high | 160 Ų | 160 | 43 Ų | 43 | 70% | 0.696 | 20% | 0.198 | S | C | * | . | trans | -78.3 | 126.3 | 167.6 | -67 | -177.6 | -179.1 | 178.8 | 0 | 108.4 | L368 R369 L370 | K366-L368 PolarHBondContact O-N 3.37Å; K366-R369 HydrophobicContact CB-CB 4.17Å; K366-R369 PolarHBondContact O-N 2.82Å; K366-L370 PolarHBondContact O-N 2.81Å | ||
| 367 | F | 95.3 | Very high | 96 | Very high | 35 Ų | 35 | 43 Ų | 43 | 15% | 0.154 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56 | -48 | -178.9 | 173.4 | -106 | 0 | 0 | 0 | 112.5 | Q340 I341 F344 R369 L370 R371 | Q340-F367 HydrophobicContact CG-CD1 4.24Å; Q340-F367 HydrophobicContact CG-CD2 3.72Å; Q340-F367 HydrophobicContact CG-CE1 4.14Å; Q340-F367 HydrophobicContact CG-CE2 3.6Å; Q340-F367 HydrophobicContact CG-CG 4.04Å; Q340-F367 HydrophobicContact CG-CZ 3.82Å; I341-F367 HydrophobicContact CG1-CB 4.12Å; I341-F367 HydrophobicContact CG1-CD2 4.21Å; F344-F367 HydrophobicContact CB-CE2 3.78Å; F344-F367 HydrophobicContact CD1-CE2 4.41Å; F344-F367 HydrophobicContact CD2-CE2 4.24Å; F344-F367 HydrophobicContact CD2-CZ 4.48Å; F344-F367 AromaticContact CG-CE2 3.89Å; F344-F367 HydrophobicContact CG-CE2 3.89Å; F367-R369 VanDerWaalsContact C-N 3.32Å; F367-R369 PolarHBondContact O-N 3.33Å; F367-L370 PolarHBondContact O-N 2.78Å; F367-L370 VanDerWaalsContact O-N 3.15Å; F367-R371 HydrophobicContact CE1-CB 4.41Å; F367-R371 HydrophobicContact CZ-CB 4.28Å; F367-R371 WeakPolarHBondContact O-CB 3.44Å; F367-R371 PolarHBondContact O-N 3.18Å |
| 368 | L | 95.3 | Very high | 96 | Very high | 99 Ų | 99 | 47.4 Ų | 47.4 | 52% | 0.518 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -56.6 | -44.5 | 179.5 | -68.8 | 177 | 0 | 0 | 0 | 112.4 | K366 L370 R371 E372 | K366-L368 PolarHBondContact O-N 3.37Å; L368-L370 PolarHBondContact O-N 2.83Å; L368-R371 PolarHBondContact O-N 2.79Å; L368-E372 WeakPolarHBondContact O-CB 3.04Å; L368-E372 VanDerWaalsContact O-CG 3.27Å; L368-E372 WeakPolarHBondContact O-CG 3.33Å; L368-E372 PolarHBondContact O-N 3.48Å |
| 369 | R | 94.8 | Very high | 96 | Very high | 79 Ų | 79 | 49.5 Ų | 49.5 | 30% | 0.298 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.7 | -47.1 | 177 | 178.4 | 175.3 | -116.1 | 167.7 | 0.1 | 111.9 | K366 F367 R373 D403 | K366-R369 HydrophobicContact CB-CB 4.17Å; K366-R369 PolarHBondContact O-N 2.82Å; F367-R369 VanDerWaalsContact C-N 3.32Å; F367-R369 PolarHBondContact O-N 3.33Å; R369-R373 WeakPolarHBondContact O-CB 3.26Å; R369-R373 WeakPolarHBondContact O-CG 3.41Å; R369-R373 PolarHBondContact O-N 2.69Å; R369-D403 IonicContact CZ-OD1 2.85Å; R369-D403 IonicContact NE-OD1 3.89Å; R369-D403 IonicContact NH2-OD1 3.54Å; R369-D403 PolarHBondContact NH2-OD1 3.03Å |
| 370 | L | 96.3 | Very high | 96 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.8 | -43.9 | 178 | -72.4 | 176.5 | 0 | 0 | 0 | 111.3 | I341 V345 V362 K366 F367 L368 H374 L398 A399 | I341-L370 HydrophobicContact CG2-CD1 3.97Å; V345-L370 HydrophobicContact CG2-CD1 4.44Å; V362-L370 HydrophobicContact CG2-CD1 3.67Å; V362-L370 HydrophobicContact CG2-CD2 3.96Å; V362-L370 HydrophobicContact CG2-CG 4.5Å; K366-L370 PolarHBondContact O-N 2.81Å; F367-L370 PolarHBondContact O-N 2.78Å; F367-L370 VanDerWaalsContact O-N 3.15Å; L368-L370 PolarHBondContact O-N 2.83Å; L370-H374 WeakPolarHBondContact O-CB 3.29Å; L370-H374 PolarHBondContact O-N 3.16Å; L370-L398 HydrophobicContact CD2-CD2 4.31Å; L370-L398 HydrophobicContact CD2-CG 4.32Å; L370-A399 HydrophobicContact CD2-CB 4.2Å |
| 371 | R | 97.1 | Very high | 96 | Very high | 79 Ų | 79 | 53.3 Ų | 53.3 | 30% | 0.298 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.8 | -55.5 | -179.9 | 179.1 | -178.4 | 167.7 | -124.4 | -3.8 | 112 | F344 F367 L368 R373 H374 L375 | F344-R371 HydrophobicContact CE1-CB 4.23Å; F344-R371 HydrophobicContact CE2-CB 4.36Å; F344-R371 HydrophobicContact CE2-CG 4.07Å; F344-R371 VanDerWaalsContact CZ-CA 3.49Å; F344-R371 HydrophobicContact CZ-CB 3.94Å; F344-R371 HydrophobicContact CZ-CG 3.96Å; F367-R371 HydrophobicContact CE1-CB 4.41Å; F367-R371 HydrophobicContact CZ-CB 4.28Å; F367-R371 WeakPolarHBondContact O-CB 3.44Å; F367-R371 PolarHBondContact O-N 3.18Å; L368-R371 PolarHBondContact O-N 2.79Å; R371-R373 VanDerWaalsContact C-N 3.32Å; R371-R373 PolarHBondContact O-N 2.88Å; R371-H374 PolarHBondContact O-N 3.44Å; R371-L375 HydrophobicContact CG-CD1 3.74Å; R371-L375 HydrophobicContact CG-CG 4.38Å; R371-L375 WeakPolarHBondContact O-CB 3.36Å; R371-L375 VanDerWaalsContact O-CG 3.24Å; R371-L375 WeakPolarHBondContact O-CG 3.47Å; R371-L375 PolarHBondContact O-N 3.33Å |
| 372 | E | 96.7 | Very high | 96 | Very high | 45 Ų | 45 | 53.2 Ų | 53.2 | 21% | 0.21 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.5 | -42.7 | -177.3 | -68.9 | 161.4 | -170.7 | 0 | 0 | 111.5 | L368 F376 F418 Q422 L425 | L368-E372 WeakPolarHBondContact O-CB 3.04Å; L368-E372 VanDerWaalsContact O-CG 3.27Å; L368-E372 WeakPolarHBondContact O-CG 3.33Å; L368-E372 PolarHBondContact O-N 3.48Å; E372-F376 VanDerWaalsContact O-CB 3.32Å; E372-F376 WeakPolarHBondContact O-CB 3.32Å; E372-F376 PolarHBondContact O-N 3.19Å; E372-F418 HydrophobicContact CB-CE2 4.46Å; E372-F418 HydrophobicContact CB-CZ 4.25Å; E372-Q422 HydrophobicContact CB-CG 4.41Å; E372-Q422 HydrophobicContact CG-CG 4.38Å; E372-Q422 PolarHBondContact OE2-NE2 3.25Å; E372-L425 HydrophobicContact CB-CD1 4.21Å; E372-L425 HydrophobicContact CG-CD1 3.81Å |
| 373 | R | 97.4 | Very high | 96 | Very high | 1 Ų | 1 | 55 Ų | 55 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.9 | -42.9 | 178.8 | -71.4 | -178 | 174.7 | -166.7 | -8.2 | 113 | R369 R371 F376 L377 L398 L401 P402 D403 F406 F418 | R369-R373 WeakPolarHBondContact O-CB 3.26Å; R369-R373 WeakPolarHBondContact O-CG 3.41Å; R369-R373 PolarHBondContact O-N 2.69Å; R371-R373 VanDerWaalsContact C-N 3.32Å; R371-R373 PolarHBondContact O-N 2.88Å; R373-F376 PolarHBondContact O-N 2.83Å; R373-L377 VanDerWaalsContact O-CG 3.32Å; R373-L377 WeakPolarHBondContact O-CG 3.32Å; R373-L377 PolarHBondContact O-N 2.96Å; R373-L398 HydrophobicContact CB-CD1 3.68Å; R373-L398 VanDerWaalsContact CD-O 3.29Å; R373-L398 WeakPolarHBondContact CD-O 3.34Å; R373-L398 PolarHBondContact NH1-O 3.48Å; R373-L401 VanDerWaalsContact CZ-O 3.26Å; R373-L401 PolarHBondContact NH1-O 3.09Å; R373-L401 PolarHBondContact NH2-O 3.17Å; R373-P402 PolarHBondContact NH2-O 2.82Å; R373-D403 IonicContact CZ-OD1 2.63Å; R373-D403 IonicContact NE-OD1 3.64Å; R373-D403 IonicContact NH2-OD1 3.8Å; R373-D403 PolarHBondContact NH2-OD1 2.94Å; R373-F406 HydrophobicContact CB-CD2 4.41Å; R373-F406 HydrophobicContact CB-CE1 4.23Å; R373-F406 HydrophobicContact CB-CE2 3.66Å; R373-F406 HydrophobicContact CB-CZ 3.56Å; R373-F406 HydrophobicContact CG-CD1 4.12Å; R373-F406 HydrophobicContact CG-CD2 4.09Å; R373-F406 HydrophobicContact CG-CE1 3.78Å; R373-F406 HydrophobicContact CG-CE2 3.75Å; R373-F406 HydrophobicContact CG-CG 4.28Å; R373-F406 HydrophobicContact CG-CZ 3.59Å; R373-F418 HydrophobicContact CG-CZ 4.1Å |
| 374 | H | 97.5 | Very high | 96 | Very high | 6 Ų | 6 | 56.9 Ų | 56.9 | 3% | 0.028 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.2 | -50.8 | 175.8 | 171.5 | 57.7 | 0 | 0 | 0 | 110.9 | F344 M349 L370 R371 F376 L377 E378 Y385 | F344-H374 HydrophobicContact CE1-CB 3.87Å; F344-H374 AromaticContact CE1-CD2 3.98Å; F344-H374 HydrophobicContact CZ-CB 3.95Å; F344-H374 AromaticContact CZ-CD2 3.48Å; F344-H374 VanDerWaalsContact CZ-CD2 3.48Å; F344-H374 WeakPolarHBondContact CZ-CD2 3.13Å; M349-H374 HydrophobicContact CG-CB 4.28Å; M349-H374 HydrophobicContact SD-CB 4.32Å; L370-H374 WeakPolarHBondContact O-CB 3.29Å; L370-H374 PolarHBondContact O-N 3.16Å; R371-H374 PolarHBondContact O-N 3.44Å; H374-F376 VanDerWaalsContact C-N 3.27Å; H374-F376 PolarHBondContact O-N 2.63Å; H374-L377 PolarHBondContact O-N 3.03Å; H374-L377 VanDerWaalsContact O-N 3.16Å; H374-E378 WeakPolarHBondContact O-CB 3.37Å; H374-E378 PolarHBondContact O-N 2.97Å; H374-Y385 AromaticContact CE1-CE2 3.87Å; H374-Y385 AromaticContact ND1-CE2 3.55Å; H374-Y385 AromaticContact ND1-CZ 3.59Å; H374-Y385 PolarHBondContact ND1-OH 3.41Å |
| 375 | L | 97.8 | Very high | 96.2 | Very high | 35 Ų | 35 | 54.5 Ų | 54.5 | 18% | 0.183 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.3 | -35.8 | -178.8 | -67.2 | 175.7 | 0 | 0 | 0 | 112 | R371 E378 Y379 F421 L425 | R371-L375 HydrophobicContact CG-CD1 3.74Å; R371-L375 HydrophobicContact CG-CG 4.38Å; R371-L375 WeakPolarHBondContact O-CB 3.36Å; R371-L375 VanDerWaalsContact O-CG 3.24Å; R371-L375 WeakPolarHBondContact O-CG 3.47Å; R371-L375 PolarHBondContact O-N 3.33Å; L375-E378 PolarHBondContact O-N 3.18Å; L375-Y379 WeakPolarHBondContact O-CB 3.48Å; L375-Y379 PolarHBondContact O-N 2.79Å; L375-F421 HydrophobicContact CB-CE1 4.02Å; L375-F421 HydrophobicContact CB-CZ 3.99Å; L375-F421 WeakPolarHBondContact O-CZ 3.42Å; L375-L425 HydrophobicContact CB-CD2 4.36Å; L375-L425 HydrophobicContact CD1-CD1 4.21Å; L375-L425 HydrophobicContact CD1-CD2 3.66Å |
| 376 | F | 97.9 | Very high | 96.3 | Very high | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68 | -43.5 | 175.4 | -173.5 | -126.5 | 0 | 0 | 0 | 112.1 | E372 R373 H374 E378 Y379 L380 F406 A411 A413 D417 F418 F421 | E372-F376 VanDerWaalsContact O-CB 3.32Å; E372-F376 WeakPolarHBondContact O-CB 3.32Å; E372-F376 PolarHBondContact O-N 3.19Å; R373-F376 PolarHBondContact O-N 2.83Å; H374-F376 VanDerWaalsContact C-N 3.27Å; H374-F376 PolarHBondContact O-N 2.63Å; F376-E378 VanDerWaalsContact C-N 3.3Å; F376-E378 PolarHBondContact O-N 2.66Å; F376-Y379 HydrophobicContact CD2-CD1 4.47Å; F376-Y379 PolarHBondContact O-N 2.95Å; F376-L380 HydrophobicContact CD1-CD1 4.03Å; F376-L380 HydrophobicContact CD2-CD1 4.46Å; F376-L380 HydrophobicContact CE1-CD1 3.72Å; F376-L380 HydrophobicContact CE2-CD1 4.17Å; F376-L380 HydrophobicContact CE2-CG 4.37Å; F376-L380 HydrophobicContact CG-CD1 4.42Å; F376-L380 HydrophobicContact CZ-CD1 3.8Å; F376-L380 HydrophobicContact CZ-CG 4.46Å; F376-L380 VanDerWaalsContact O-CG 3.31Å; F376-L380 WeakPolarHBondContact O-CG 3.4Å; F376-L380 PolarHBondContact O-N 3.38Å; F376-F406 AromaticContact CD1-CE1 3.93Å; F376-F406 HydrophobicContact CD1-CE1 3.93Å; F376-F406 HydrophobicContact CD1-CZ 4.23Å; F376-A411 HydrophobicContact CD1-CB 3.95Å; F376-A411 HydrophobicContact CE1-CB 3.63Å; F376-A413 HydrophobicContact CE1-CB 3.94Å; F376-A413 HydrophobicContact CZ-CB 3.76Å; F376-D417 HydrophobicContact CZ-CB 4.32Å; F376-F418 HydrophobicContact CB-CD2 3.89Å; F376-F418 HydrophobicContact CB-CE2 3.85Å; F376-F418 HydrophobicContact CD1-CB 4.35Å; F376-F418 AromaticContact CD1-CD2 3.4Å; F376-F418 HydrophobicContact CD1-CD2 3.4Å; F376-F418 HydrophobicContact CD1-CE2 4.05Å; F376-F418 HydrophobicContact CD1-CG 4.2Å; F376-F418 HydrophobicContact CD2-CD2 4.12Å; F376-F418 HydrophobicContact CE1-CB 3.86Å; F376-F418 AromaticContact CE1-CD2 3.81Å; F376-F418 HydrophobicContact CE1-CD2 3.81Å; F376-F418 HydrophobicContact CE1-CG 4.2Å; F376-F418 HydrophobicContact CE2-CD2 4.49Å; F376-F418 AromaticContact CG-CD2 3.55Å; F376-F418 HydrophobicContact CG-CD2 3.55Å; F376-F418 HydrophobicContact CG-CE2 4.05Å; F376-F418 HydrophobicContact CZ-CB 4.01Å; F376-F418 HydrophobicContact CZ-CD2 4.34Å; F376-F421 VanDerWaalsContact CA-CE1 3.49Å; F376-F421 HydrophobicContact CB-CD1 3.75Å; F376-F421 HydrophobicContact CB-CE1 3.7Å; F376-F421 HydrophobicContact CB-CZ 4.43Å; F376-F421 HydrophobicContact CD2-CB 3.71Å; F376-F421 AromaticContact CD2-CD1 3.57Å; F376-F421 HydrophobicContact CD2-CD1 3.57Å; F376-F421 AromaticContact CD2-CD2 3.98Å; F376-F421 HydrophobicContact CD2-CD2 3.98Å; F376-F421 HydrophobicContact CD2-CE1 4.15Å; F376-F421 AromaticContact CD2-CG 3.47Å; F376-F421 HydrophobicContact CD2-CG 3.47Å; F376-F421 VanDerWaalsContact CD2-CG 3.47Å; F376-F421 HydrophobicContact CE2-CB 3.84Å; F376-F421 HydrophobicContact CE2-CG 4.09Å; F376-F421 HydrophobicContact CG-CD1 4.06Å; F376-F421 HydrophobicContact CG-CE1 4.42Å; F376-F421 HydrophobicContact CG-CG 4.39Å |
| 377 | L | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.2 | -37 | 174.4 | -70.7 | 172.2 | 0 | 0 | 0 | 111.8 | R373 H374 L380 G381 K382 A383 I393 L398 F406 A411 | R373-L377 VanDerWaalsContact O-CG 3.32Å; R373-L377 WeakPolarHBondContact O-CG 3.32Å; R373-L377 PolarHBondContact O-N 2.96Å; H374-L377 PolarHBondContact O-N 3.03Å; H374-L377 VanDerWaalsContact O-N 3.16Å; L377-L380 CarbonylContact O-C 3.33Å; L377-L380 PolarHBondContact O-N 3.28Å; L377-G381 PolarHBondContact O-N 2.99Å; L377-G381 VanDerWaalsContact O-N 3.1Å; L377-K382 HydrophobicContact CD2-CB 4.08Å; L377-K382 PolarHBondContact O-N 2.85Å; L377-A383 HydrophobicContact CB-CB 4.13Å; L377-A383 PolarHBondContact O-N 3.25Å; L377-I393 HydrophobicContact CD1-CD1 3.66Å; L377-I393 HydrophobicContact CD2-CD1 3.92Å; L377-I393 HydrophobicContact CG-CD1 4.4Å; L377-L398 HydrophobicContact CD1-CD1 3.74Å; L377-F406 HydrophobicContact CD1-CE2 3.91Å; L377-F406 HydrophobicContact CD1-CZ 4.33Å; L377-F406 HydrophobicContact CD2-CE2 4.34Å; L377-F406 HydrophobicContact CD2-CZ 4.33Å; L377-F406 HydrophobicContact CG-CE2 4.05Å; L377-F406 HydrophobicContact CG-CZ 4Å; L377-A411 HydrophobicContact CD2-CB 4.07Å |
| 378 | E | 96.9 | Very high | 96.4 | Very high | 108 Ų | 108 | 57.1 Ų | 57.1 | 51% | 0.505 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.4 | -46 | 175.1 | -174.3 | 177 | -143 | 0 | 0 | 111 | H374 L375 F376 L380 G381 A383 | H374-E378 WeakPolarHBondContact O-CB 3.37Å; H374-E378 PolarHBondContact O-N 2.97Å; L375-E378 PolarHBondContact O-N 3.18Å; F376-E378 VanDerWaalsContact C-N 3.3Å; F376-E378 PolarHBondContact O-N 2.66Å; E378-L380 PolarHBondContact O-N 3.33Å; E378-G381 PolarHBondContact O-N 3.32Å; E378-A383 HydrophobicContact CB-CB 4.25Å |
| 379 | Y | 96.8 | Very high | 96.3 | Very high | 170 Ų | 170 | 56.2 Ų | 56.2 | 67% | 0.667 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -56.8 | -37.7 | 173.8 | 173.3 | -103.1 | 0 | 0 | 0 | 112.6 | L375 F376 G381 F421 | L375-Y379 WeakPolarHBondContact O-CB 3.48Å; L375-Y379 PolarHBondContact O-N 2.79Å; F376-Y379 HydrophobicContact CD2-CD1 4.47Å; F376-Y379 PolarHBondContact O-N 2.95Å; Y379-G381 VanDerWaalsContact C-N 3.3Å; Y379-F421 HydrophobicContact CD1-CD2 4.12Å; Y379-F421 HydrophobicContact CD1-CE2 4.17Å; Y379-F421 HydrophobicContact CD2-CE2 4.18Å; Y379-F421 HydrophobicContact CG-CD2 4.14Å; Y379-F421 AromaticContact CG-CE2 3.73Å; Y379-F421 HydrophobicContact CG-CE2 3.73Å |
| 380 | L | 96.4 | Very high | 96.2 | Very high | 59 Ų | 59 | 57.7 Ų | 57.7 | 31% | 0.309 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -4.2 | 176.7 | -64.6 | 175.4 | 0 | 0 | 0 | 113.9 | F376 L377 E378 K382 A411 A413 | F376-L380 HydrophobicContact CD1-CD1 4.03Å; F376-L380 HydrophobicContact CD2-CD1 4.46Å; F376-L380 HydrophobicContact CE1-CD1 3.72Å; F376-L380 HydrophobicContact CE2-CD1 4.17Å; F376-L380 HydrophobicContact CE2-CG 4.37Å; F376-L380 HydrophobicContact CG-CD1 4.42Å; F376-L380 HydrophobicContact CZ-CD1 3.8Å; F376-L380 HydrophobicContact CZ-CG 4.46Å; F376-L380 VanDerWaalsContact O-CG 3.31Å; F376-L380 WeakPolarHBondContact O-CG 3.4Å; F376-L380 PolarHBondContact O-N 3.38Å; L377-L380 CarbonylContact O-C 3.33Å; L377-L380 PolarHBondContact O-N 3.28Å; E378-L380 PolarHBondContact O-N 3.33Å; L380-K382 VanDerWaalsContact C-N 3.28Å; L380-K382 HydrophobicContact CB-CB 4.47Å; L380-K382 HydrophobicContact CB-CD 4.25Å; L380-K382 HydrophobicContact CB-CG 4.19Å; L380-K382 PolarHBondContact O-N 3.45Å; L380-A411 HydrophobicContact CD1-CB 3.72Å; L380-A413 HydrophobicContact CD1-CB 4.24Å |
| 381 | G | 95.7 | Very high | 96.1 | Very high | 71 Ų | 71 | 62.7 Ų | 62.7 | 73% | 0.732 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | 25 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L377 E378 Y379 | L377-G381 PolarHBondContact O-N 2.99Å; L377-G381 VanDerWaalsContact O-N 3.1Å; E378-G381 PolarHBondContact O-N 3.32Å; Y379-G381 VanDerWaalsContact C-N 3.3Å |
| 382 | K | 95.1 | Very high | 96 | Very high | 72 Ų | 72 | 62.1 Ų | 62.1 | 31% | 0.313 | 34% | 0.342 | S | S | . | . | trans | -114.1 | 5.7 | -175.1 | -65.6 | -176.3 | -178.6 | -177.6 | 0 | 114.1 | L377 L380 Q384 I393 A411 M412 | L377-K382 HydrophobicContact CD2-CB 4.08Å; L377-K382 PolarHBondContact O-N 2.85Å; L380-K382 VanDerWaalsContact C-N 3.28Å; L380-K382 HydrophobicContact CB-CB 4.47Å; L380-K382 HydrophobicContact CB-CD 4.25Å; L380-K382 HydrophobicContact CB-CG 4.19Å; L380-K382 PolarHBondContact O-N 3.45Å; K382-Q384 VanDerWaalsContact C-N 3.28Å; K382-Q384 PolarHBondContact O-N 3.12Å; K382-I393 WeakPolarHBondContact O-CD1 3.44Å; K382-A411 WeakPolarHBondContact CD-O 3.3Å; K382-A411 PolarHBondContact NZ-O 3.42Å; K382-M412 VanDerWaalsContact NZ-CB 3.32Å | ||
| 383 | A | 95.8 | Very high | 95.9 | Very high | 37 Ų | 37 | 60.3 Ų | 60.3 | 31% | 0.306 | 33% | 0.334 | S | S | . | . | trans | -72.2 | 81.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L377 E378 Y385 | L377-A383 HydrophobicContact CB-CB 4.13Å; L377-A383 PolarHBondContact O-N 3.25Å; E378-A383 HydrophobicContact CB-CB 4.25Å; A383-Y385 HydrophobicContact CB-CE2 4.26Å | ||
| 384 | Q | 96.3 | Very high | 95.8 | Very high | 52 Ų | 52 | 61.2 Ų | 61.2 | 24% | 0.243 | 34% | 0.341 | C | S | . | . | trans | -117.7 | 114.9 | 175.9 | 179 | 54.7 | -87.9 | 0 | 0 | 110.7 | K382 L389 I393 | K382-Q384 VanDerWaalsContact C-N 3.28Å; K382-Q384 PolarHBondContact O-N 3.12Å; Q384-L389 HydrophobicContact CG-CB 4.11Å; Q384-I393 PolarHBondContact O-N 3.31Å | ||
| 385 | Y | 96.5 | Very high | 95.8 | Very high | 18 Ų | 18 | 61.1 Ų | 61.1 | 7% | 0.071 | 34% | 0.34 | C | S | . | . | trans | -115.8 | 1.3 | -178 | -52 | -54.3 | 0 | 0 | 0 | 113.6 | M349 V351 L355 H374 A383 P387 Y392 I393 L395 L398 | M349-Y385 HydrophobicContact CB-CD2 4.12Å; M349-Y385 HydrophobicContact CB-CE2 3.84Å; M349-Y385 HydrophobicContact CE-CD1 4.4Å; M349-Y385 HydrophobicContact CE-CD2 4.04Å; M349-Y385 HydrophobicContact CE-CE1 3.95Å; M349-Y385 HydrophobicContact CE-CE2 3.53Å; M349-Y385 HydrophobicContact CE-CG 4.46Å; M349-Y385 VanDerWaalsContact CE-CZ 3.49Å; M349-Y385 HydrophobicContact CG-CE2 4.28Å; V351-Y385 HydrophobicContact CG2-CD2 3.92Å; V351-Y385 HydrophobicContact CG2-CG 4.1Å; L355-Y385 WeakPolarHBondContact CD1-O 3.47Å; H374-Y385 AromaticContact CE1-CE2 3.87Å; H374-Y385 AromaticContact ND1-CE2 3.55Å; H374-Y385 AromaticContact ND1-CZ 3.59Å; H374-Y385 PolarHBondContact ND1-OH 3.41Å; A383-Y385 HydrophobicContact CB-CE2 4.26Å; Y385-P387 WeakPolarHBondContact O-CD 3.37Å; Y385-Y392 VanDerWaalsContact O-CE2 3.27Å; Y385-Y392 WeakPolarHBondContact O-CE2 3.23Å; Y385-I393 HydrophobicContact CD1-CB 4.44Å; Y385-I393 HydrophobicContact CE1-CB 4.48Å; Y385-L395 HydrophobicContact CD1-CD2 4.5Å; Y385-L398 HydrophobicContact CE1-CD2 4.05Å | ||
| 386 | D | 95.8 | Very high | 95.6 | Very high | 64 Ų | 64 | 62.3 Ų | 62.3 | 34% | 0.342 | 35% | 0.347 | S | S | . | . | trans | -82 | 118.9 | 173.9 | -167.5 | -23.8 | 0 | 0 | 0 | 110.2 | D388 L389 Y392 | D386-D388 PolarHBondContact O-N 3.48Å; D386-D388 PolarHBondContact OD1-N 3.04Å; D386-L389 HydrophobicContact CB-CB 4.24Å; D386-L389 HydrophobicContact CB-CD1 3.84Å; D386-L389 HydrophobicContact CB-CG 3.99Å; D386-L389 PolarHBondContact O-N 3.39Å; D386-Y392 VanDerWaalsContact C-CD2 3.42Å; D386-Y392 WeakPolarHBondContact O-CB 3.49Å; D386-Y392 VanDerWaalsContact O-CD2 3.31Å; D386-Y392 WeakPolarHBondContact O-CD2 3.43Å | ||
| 387 | P | 94.9 | Very high | 95.4 | Very high | 50 Ų | 50 | 66.1 Ų | 66.1 | 33% | 0.325 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -22.8 | 177.9 | -20.8 | 32.1 | 0 | 0 | 0 | 114.8 | L355 Y385 L389 Y392 | L355-P387 HydrophobicContact CD1-CG 4.15Å; L355-P387 HydrophobicContact CD2-CG 3.7Å; Y385-P387 WeakPolarHBondContact O-CD 3.37Å; P387-L389 VanDerWaalsContact C-N 3.33Å; P387-Y392 HydrophobicContact CB-CD1 4.42Å; P387-Y392 HydrophobicContact CB-CD2 4.42Å; P387-Y392 HydrophobicContact CB-CE1 4.26Å; P387-Y392 HydrophobicContact CB-CE2 4.28Å; P387-Y392 HydrophobicContact CB-CG 4.49Å; P387-Y392 HydrophobicContact CG-CD2 4.38Å; P387-Y392 HydrophobicContact CG-CE1 4.48Å; P387-Y392 HydrophobicContact CG-CE2 3.87Å |
| 388 | D | 95.4 | Very high | 95.3 | Very high | 149 Ų | 149 | 66.1 Ų | 66.1 | 80% | 0.797 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -7.6 | -175.2 | -62.2 | -31.7 | 0 | 0 | 0 | 112.3 | D386 | D386-D388 PolarHBondContact O-N 3.48Å; D386-D388 PolarHBondContact OD1-N 3.04Å |
| 389 | L | 94.6 | Very high | 95.1 | Very high | 80 Ų | 80 | 61.2 Ų | 61.2 | 42% | 0.419 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -103.5 | 150.5 | -178.3 | -64.9 | -179.5 | 0 | 0 | 0 | 112.3 | Q384 D386 P387 Y392 | Q384-L389 HydrophobicContact CG-CB 4.11Å; D386-L389 HydrophobicContact CB-CB 4.24Å; D386-L389 HydrophobicContact CB-CD1 3.84Å; D386-L389 HydrophobicContact CB-CG 3.99Å; D386-L389 PolarHBondContact O-N 3.39Å; P387-L389 VanDerWaalsContact C-N 3.33Å; L389-Y392 PolarHBondContact O-N 3.03Å |
| 390 | P | 93.1 | Very high | 94.9 | Very high | 111 Ų | 111 | 56.2 Ų | 56.2 | 72% | 0.721 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 152.3 | 176 | 27.7 | -35 | 0 | 0 | 0 | 110.9 | Y392 | P390-Y392 PolarHBondContact O-N 2.81Š|
| 391 | S | 92.3 | Very high | 94.8 | Very high | 105 Ų | 105 | 55 Ų | 55 | 73% | 0.734 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 26.9 | -176.3 | -55.1 | 0 | 0 | 0 | 0 | 114.4 | I393 | S391-I393 PolarHBondContact O-N 3.23Š|
| 392 | Y | 95.6 | Very high | 94.8 | Very high | 67 Ų | 67 | 54.3 Ų | 54.3 | 26% | 0.263 | 31% | 0.305 | S | S | . | . | trans | -53.1 | 129.3 | 172.7 | 168 | -120.4 | 0 | 0 | 0 | 113.2 | F359 Y385 D386 P387 L389 P390 S394 | F359-Y392 VanDerWaalsContact CE2-OH 3.3Å; F359-Y392 WeakPolarHBondContact CE2-OH 3.45Å; Y385-Y392 VanDerWaalsContact O-CE2 3.27Å; Y385-Y392 WeakPolarHBondContact O-CE2 3.23Å; D386-Y392 VanDerWaalsContact C-CD2 3.42Å; D386-Y392 WeakPolarHBondContact O-CB 3.49Å; D386-Y392 VanDerWaalsContact O-CD2 3.31Å; D386-Y392 WeakPolarHBondContact O-CD2 3.43Å; P387-Y392 HydrophobicContact CB-CD1 4.42Å; P387-Y392 HydrophobicContact CB-CD2 4.42Å; P387-Y392 HydrophobicContact CB-CE1 4.26Å; P387-Y392 HydrophobicContact CB-CE2 4.28Å; P387-Y392 HydrophobicContact CB-CG 4.49Å; P387-Y392 HydrophobicContact CG-CD2 4.38Å; P387-Y392 HydrophobicContact CG-CE1 4.48Å; P387-Y392 HydrophobicContact CG-CE2 3.87Å; L389-Y392 PolarHBondContact O-N 3.03Å; P390-Y392 PolarHBondContact O-N 2.81Å; Y392-S394 WeakPolarHBondContact OH-CA 3.36Å; Y392-S394 WeakPolarHBondContact OH-CB 3.21Å | ||
| 393 | I | 95.6 | Very high | 94.8 | Very high | 8 Ų | 8 | 52.5 Ų | 52.5 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | trans | -112.4 | 115.6 | 173.8 | -56.5 | 178.1 | 0 | 0 | 0 | 108.7 | L377 K382 Q384 Y385 S391 L410 | L377-I393 HydrophobicContact CD1-CD1 3.66Å; L377-I393 HydrophobicContact CD2-CD1 3.92Å; L377-I393 HydrophobicContact CG-CD1 4.4Å; K382-I393 WeakPolarHBondContact O-CD1 3.44Å; Q384-I393 PolarHBondContact O-N 3.31Å; Y385-I393 HydrophobicContact CD1-CB 4.44Å; Y385-I393 HydrophobicContact CE1-CB 4.48Å; S391-I393 PolarHBondContact O-N 3.23Å; I393-L410 HydrophobicContact CD1-CB 4.36Å; I393-L410 HydrophobicContact CG1-CD2 4.21Å; I393-L410 HydrophobicContact CG2-CD1 3.88Å; I393-L410 HydrophobicContact CG2-CD2 4.04Å; I393-L410 HydrophobicContact CG2-CG 4.49Å | ||
| 394 | S | 95.4 | Very high | 94.8 | Very high | 20 Ų | 20 | 55.6 Ų | 55.6 | 14% | 0.14 | 31% | 0.307 | C | S | . | . | trans | -70.9 | 145.7 | 175.4 | 68.7 | 0 | 0 | 0 | 0 | 112.3 | Y392 D396 R397 L398 | Y392-S394 WeakPolarHBondContact OH-CA 3.36Å; Y392-S394 WeakPolarHBondContact OH-CB 3.21Å; S394-D396 PolarHBondContact O-N 3.08Å; S394-R397 PolarHBondContact O-N 3.2Å; S394-R397 VanDerWaalsContact O-N 3.17Å; S394-R397 WeakPolarHBondContact OG-CG 3.33Å; S394-L398 PolarHBondContact O-N 3.07Å; S394-L398 VanDerWaalsContact O-N 3.09Å | ||
| 395 | L | 96.1 | Very high | 94.8 | Very high | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.6 | -32.3 | 179.2 | -60.4 | 177.6 | 0 | 0 | 0 | 112.8 | M349 V351 L355 I356 F359 V362 Y385 L398 A399 | M349-L395 HydrophobicContact CE-CD2 4.08Å; V351-L395 HydrophobicContact CG1-CD1 3.68Å; V351-L395 HydrophobicContact CG1-CD2 4.2Å; V351-L395 HydrophobicContact CG1-CG 4.38Å; V351-L395 HydrophobicContact CG2-CD2 4Å; L355-L395 HydrophobicContact CB-CD1 4.49Å; I356-L395 HydrophobicContact CG1-CD1 4.42Å; F359-L395 HydrophobicContact CB-CB 3.83Å; F359-L395 HydrophobicContact CB-CD1 4.31Å; F359-L395 HydrophobicContact CD2-CB 4.34Å; F359-L395 HydrophobicContact CG-CB 4.29Å; V362-L395 HydrophobicContact CB-CB 4.42Å; V362-L395 HydrophobicContact CG1-CD1 4.35Å; Y385-L395 HydrophobicContact CD1-CD2 4.5Å; L395-L398 PolarHBondContact O-N 2.81Å; L395-A399 WeakPolarHBondContact O-CB 3.24Å; L395-A399 PolarHBondContact O-N 2.96Å |
| 396 | D | 94 | Very high | 94.9 | Very high | 61 Ų | 61 | 55.1 Ų | 55.1 | 33% | 0.326 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 175.9 | 176.3 | 63.3 | 0 | 0 | 0 | 111.4 | F359 S394 L398 A399 S400 | F359-D396 HydrophobicContact CD1-CB 3.83Å; F359-D396 HydrophobicContact CE1-CB 4.41Å; S394-D396 PolarHBondContact O-N 3.08Å; D396-L398 VanDerWaalsContact C-N 3.32Å; D396-L398 PolarHBondContact O-N 2.87Å; D396-A399 PolarHBondContact O-N 3.26Å; D396-S400 WeakPolarHBondContact O-CB 3.31Å; D396-S400 PolarHBondContact O-N 3.42Å; D396-S400 PolarHBondContact O-OG 2.92Å; D396-S400 PolarHBondContact OD1-OG 3.25Å |
| 397 | R | 94.6 | Very high | 94.9 | Very high | 84 Ų | 84 | 52.1 Ų | 52.1 | 32% | 0.317 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 176.8 | -71.1 | -176.5 | 79.6 | -166.2 | 3 | 111.2 | S394 A399 L401 E409 L410 | S394-R397 PolarHBondContact O-N 3.2Å; S394-R397 VanDerWaalsContact O-N 3.17Å; S394-R397 WeakPolarHBondContact OG-CG 3.33Å; R397-A399 VanDerWaalsContact C-N 3.31Å; R397-A399 PolarHBondContact O-N 2.92Å; R397-L401 HydrophobicContact CB-CD1 3.74Å; R397-L401 HydrophobicContact CB-CG 4.16Å; R397-L401 HydrophobicContact CG-CD1 4.17Å; R397-L401 WeakPolarHBondContact O-CB 3.2Å; R397-L401 VanDerWaalsContact O-CG 3.24Å; R397-L401 WeakPolarHBondContact O-CG 3.31Å; R397-L401 PolarHBondContact O-N 3.24Å; R397-E409 IonicContact CZ-OE2 2.7Å; R397-E409 IonicContact NH2-OE2 2.69Å; R397-E409 PolarHBondContact NH2-OE2 2.98Å; R397-L410 HydrophobicContact CB-CD1 4.11Å |
| 398 | L | 94.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 175.3 | -172.1 | 70.3 | 0 | 0 | 0 | 112.2 | M349 L370 R373 L377 Y385 S394 L395 D396 F406 | M349-L398 HydrophobicContact CE-CD2 3.44Å; M349-L398 VanDerWaalsContact CE-CD2 3.44Å; L370-L398 HydrophobicContact CD2-CD2 4.31Å; L370-L398 HydrophobicContact CD2-CG 4.32Å; R373-L398 HydrophobicContact CB-CD1 3.68Å; R373-L398 VanDerWaalsContact CD-O 3.29Å; R373-L398 WeakPolarHBondContact CD-O 3.34Å; R373-L398 PolarHBondContact NH1-O 3.48Å; L377-L398 HydrophobicContact CD1-CD1 3.74Å; Y385-L398 HydrophobicContact CE1-CD2 4.05Å; S394-L398 PolarHBondContact O-N 3.07Å; S394-L398 VanDerWaalsContact O-N 3.09Å; L395-L398 PolarHBondContact O-N 2.81Å; D396-L398 VanDerWaalsContact C-N 3.32Å; D396-L398 PolarHBondContact O-N 2.87Å; L398-F406 HydrophobicContact CD1-CE2 3.95Å |
| 399 | A | 93.3 | Very high | 94.8 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -78.5 | -40.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | S365 L370 L395 D396 R397 | S365-A399 VanDerWaalsContact OG-CB 3.26Å; S365-A399 WeakPolarHBondContact OG-CB 3.25Å; L370-A399 HydrophobicContact CD2-CB 4.2Å; L395-A399 WeakPolarHBondContact O-CB 3.24Å; L395-A399 PolarHBondContact O-N 2.96Å; D396-A399 PolarHBondContact O-N 3.26Å; R397-A399 VanDerWaalsContact C-N 3.31Å; R397-A399 PolarHBondContact O-N 2.92Å |
| 400 | S | 91.8 | Very high | 94.7 | Very high | 65 Ų | 65 | 48 Ų | 48 | 46% | 0.455 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -105.7 | -29.6 | -159.6 | -58.8 | 0 | 0 | 0 | 0 | 113.9 | D396 | D396-S400 WeakPolarHBondContact O-CB 3.31Å; D396-S400 PolarHBondContact O-N 3.42Å; D396-S400 PolarHBondContact O-OG 2.92Å; D396-S400 PolarHBondContact OD1-OG 3.25Å |
| 401 | L | 94.5 | Very high | 94.8 | Very high | 33 Ų | 33 | 42.8 Ų | 42.8 | 17% | 0.173 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -62.3 | 149.7 | -174.7 | -70.8 | 177.4 | 0 | 0 | 0 | 112.3 | R373 R397 I405 L410 | R373-L401 VanDerWaalsContact CZ-O 3.26Å; R373-L401 PolarHBondContact NH1-O 3.09Å; R373-L401 PolarHBondContact NH2-O 3.17Å; R397-L401 HydrophobicContact CB-CD1 3.74Å; R397-L401 HydrophobicContact CB-CG 4.16Å; R397-L401 HydrophobicContact CG-CD1 4.17Å; R397-L401 WeakPolarHBondContact O-CB 3.2Å; R397-L401 VanDerWaalsContact O-CG 3.24Å; R397-L401 WeakPolarHBondContact O-CG 3.31Å; R397-L401 PolarHBondContact O-N 3.24Å; L401-I405 HydrophobicContact CD1-CG2 4.23Å; L401-I405 HydrophobicContact CD2-CG2 4.11Å; L401-L410 HydrophobicContact CD1-CD1 3.83Å; L401-L410 HydrophobicContact CD1-CG 4.32Å |
| 402 | P | 95.7 | Very high | 94.8 | Very high | 56 Ų | 56 | 43.8 Ų | 43.8 | 36% | 0.364 | 23% | 0.227 | S | C | . | . | trans | -58.9 | 160 | 163 | -21.5 | 33.8 | 0 | 0 | 0 | 112.3 | R373 E404 I405 F406 | R373-P402 PolarHBondContact NH2-O 2.82Å; P402-E404 VanDerWaalsContact C-N 3.33Å; P402-E404 WeakPolarHBondContact CB-OE2 3.48Å; P402-E404 PolarHBondContact O-N 3.28Å; P402-I405 HydrophobicContact CB-CG1 4.39Å; P402-I405 HydrophobicContact CG-CD1 4.01Å; P402-I405 HydrophobicContact CG-CG1 4.34Å; P402-F406 VanDerWaalsContact O-CB 3.31Å; P402-F406 WeakPolarHBondContact O-CB 3.45Å; P402-F406 PolarHBondContact O-N 3.27Å | ||
| 403 | D | 95.7 | Very high | 94.8 | Very high | 34 Ų | 34 | 41.5 Ų | 41.5 | 18% | 0.182 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.8 | -34.6 | -174.3 | -67.1 | -3.2 | 0 | 0 | 0 | 110.9 | R369 R373 F406 C407 L415 | R369-D403 IonicContact CZ-OD1 2.85Å; R369-D403 IonicContact NE-OD1 3.89Å; R369-D403 IonicContact NH2-OD1 3.54Å; R369-D403 PolarHBondContact NH2-OD1 3.03Å; R373-D403 IonicContact CZ-OD1 2.63Å; R373-D403 IonicContact NE-OD1 3.64Å; R373-D403 IonicContact NH2-OD1 3.8Å; R373-D403 PolarHBondContact NH2-OD1 2.94Å; D403-F406 PolarHBondContact O-N 3.46Å; D403-C407 WeakPolarHBondContact O-CB 3.27Å; D403-C407 PolarHBondContact O-N 3.28Å; D403-C407 PolarHBondContact O-SG 3.08Å; D403-L415 HydrophobicContact CB-CD1 4.02Å |
| 404 | E | 95.6 | Very high | 94.9 | Very high | 102 Ų | 102 | 44.3 Ų | 44.3 | 48% | 0.477 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.6 | -52.1 | 176.4 | -57.5 | 75.6 | -166.9 | 0 | 0 | 110.9 | P402 C407 T408 L415 | P402-E404 VanDerWaalsContact C-N 3.33Å; P402-E404 WeakPolarHBondContact CB-OE2 3.48Å; P402-E404 PolarHBondContact O-N 3.28Å; E404-C407 PolarHBondContact O-N 3.03Å; E404-T408 WeakPolarHBondContact O-CG2 3.49Å; E404-T408 PolarHBondContact O-N 3.1Å; E404-T408 PolarHBondContact O-OG1 3.29Å; E404-T408 VanDerWaalsContact O-OG1 3.1Å; E404-L415 HydrophobicContact CG-CD2 4.12Å |
| 405 | I | 96.3 | Very high | 94.9 | Very high | 60 Ų | 60 | 45 Ų | 45 | 31% | 0.308 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.6 | -38.3 | -179 | -54.9 | -174.9 | 0 | 0 | 0 | 110.6 | L401 P402 C407 T408 E409 | L401-I405 HydrophobicContact CD1-CG2 4.23Å; L401-I405 HydrophobicContact CD2-CG2 4.11Å; P402-I405 HydrophobicContact CB-CG1 4.39Å; P402-I405 HydrophobicContact CG-CD1 4.01Å; P402-I405 HydrophobicContact CG-CG1 4.34Å; I405-C407 VanDerWaalsContact C-N 3.34Å; I405-C407 PolarHBondContact O-N 3.02Å; I405-T408 PolarHBondContact O-OG1 3.33Å; I405-E409 HydrophobicContact CG2-CB 4.36Å; I405-E409 HydrophobicContact CG2-CG 3.85Å; I405-E409 WeakPolarHBondContact CG2-OE2 3.41Å; I405-E409 VanDerWaalsContact O-CB 3.27Å; I405-E409 WeakPolarHBondContact O-CB 3.33Å; I405-E409 PolarHBondContact O-N 3.35Å |
| 406 | F | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -58.7 | -46.2 | 173.1 | 163.5 | -95.4 | 0 | 0 | 0 | 111.5 | R373 F376 L377 L398 P402 D403 L410 A411 F418 | R373-F406 HydrophobicContact CB-CD2 4.41Å; R373-F406 HydrophobicContact CB-CE1 4.23Å; R373-F406 HydrophobicContact CB-CE2 3.66Å; R373-F406 HydrophobicContact CB-CZ 3.56Å; R373-F406 HydrophobicContact CG-CD1 4.12Å; R373-F406 HydrophobicContact CG-CD2 4.09Å; R373-F406 HydrophobicContact CG-CE1 3.78Å; R373-F406 HydrophobicContact CG-CE2 3.75Å; R373-F406 HydrophobicContact CG-CG 4.28Å; R373-F406 HydrophobicContact CG-CZ 3.59Å; F376-F406 AromaticContact CD1-CE1 3.93Å; F376-F406 HydrophobicContact CD1-CE1 3.93Å; F376-F406 HydrophobicContact CD1-CZ 4.23Å; L377-F406 HydrophobicContact CD1-CE2 3.91Å; L377-F406 HydrophobicContact CD1-CZ 4.33Å; L377-F406 HydrophobicContact CD2-CE2 4.34Å; L377-F406 HydrophobicContact CD2-CZ 4.33Å; L377-F406 HydrophobicContact CG-CE2 4.05Å; L377-F406 HydrophobicContact CG-CZ 4Å; L398-F406 HydrophobicContact CD1-CE2 3.95Å; P402-F406 VanDerWaalsContact O-CB 3.31Å; P402-F406 WeakPolarHBondContact O-CB 3.45Å; P402-F406 PolarHBondContact O-N 3.27Å; D403-F406 PolarHBondContact O-N 3.46Å; F406-L410 HydrophobicContact CD2-CB 4.26Å; F406-L410 HydrophobicContact CD2-CD1 3.86Å; F406-L410 HydrophobicContact CE2-CD1 4.46Å; F406-L410 WeakPolarHBondContact O-CB 3.47Å; F406-L410 PolarHBondContact O-N 2.77Å; F406-L410 VanDerWaalsContact O-N 3.08Å; F406-A411 PolarHBondContact O-N 3.42Å; F406-F418 HydrophobicContact CE1-CD2 4.2Å; F406-F418 HydrophobicContact CE1-CE2 4.01Å; F406-F418 HydrophobicContact CE1-CZ 4.18Å |
| 407 | C | 96.2 | Very high | 95 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.007 | 28% | 0.276 | C | S | . | . | I | π-helix | trans | -65.6 | -47.4 | -179 | -66.5 | 0 | 0 | 0 | 0 | 111.7 | D403 E404 I405 A411 M412 A413 F418 | D403-C407 WeakPolarHBondContact O-CB 3.27Å; D403-C407 PolarHBondContact O-N 3.28Å; D403-C407 PolarHBondContact O-SG 3.08Å; E404-C407 PolarHBondContact O-N 3.03Å; I405-C407 VanDerWaalsContact C-N 3.34Å; I405-C407 PolarHBondContact O-N 3.02Å; C407-A411 CarbonylContact O-C 3.49Å; C407-M412 WeakPolarHBondContact O-CA 3.36Å; C407-M412 PolarHBondContact O-N 3.32Å; C407-A413 CarbonylContact C-O 3.54Å; C407-A413 WeakPolarHBondContact CB-O 3.47Å; C407-A413 PolarHBondContact O-N 3.46Å; C407-F418 WeakPolarHBondContact SG-CB 2.93Å |
| 408 | T | 94.6 | Very high | 95.1 | Very high | 84 Ų | 84 | 48.2 Ų | 48.2 | 52% | 0.515 | 26% | 0.261 | S | S | . | . | I | π-helix | trans | -73.8 | -45.5 | -176.2 | 56.8 | 0 | 0 | 0 | 0 | 112.8 | E404 I405 M412 | E404-T408 WeakPolarHBondContact O-CG2 3.49Å; E404-T408 PolarHBondContact O-N 3.1Å; E404-T408 PolarHBondContact O-OG1 3.29Å; E404-T408 VanDerWaalsContact O-OG1 3.1Å; I405-T408 PolarHBondContact O-OG1 3.33Å; T408-M412 WeakPolarHBondContact O-CE 3.39Å |
| 409 | E | 93.6 | Very high | 95.2 | Very high | 96 Ų | 96 | 52.8 Ų | 52.8 | 45% | 0.449 | 28% | 0.279 | S | S | . | . | I | π-helix | trans | -94.4 | -23 | -170.8 | -62.1 | -173.2 | 176.5 | 0 | 0 | 115.1 | R397 I405 M412 | R397-E409 IonicContact CZ-OE2 2.7Å; R397-E409 IonicContact NH2-OE2 2.69Å; R397-E409 PolarHBondContact NH2-OE2 2.98Å; I405-E409 HydrophobicContact CG2-CB 4.36Å; I405-E409 HydrophobicContact CG2-CG 3.85Å; I405-E409 WeakPolarHBondContact CG2-OE2 3.41Å; I405-E409 VanDerWaalsContact O-CB 3.27Å; I405-E409 WeakPolarHBondContact O-CB 3.33Å; I405-E409 PolarHBondContact O-N 3.35Å; E409-M412 WeakPolarHBondContact O-CE 3.39Å |
| 410 | L | 94 | Very high | 95.4 | Very high | 14 Ų | 14 | 57.9 Ų | 57.9 | 7% | 0.073 | 31% | 0.305 | C | S | . | . | I | π-helix | trans | -110.7 | -52.7 | -179.5 | -61.5 | 179.2 | 0 | 0 | 0 | 111.6 | I393 R397 L401 F406 | I393-L410 HydrophobicContact CD1-CB 4.36Å; I393-L410 HydrophobicContact CG1-CD2 4.21Å; I393-L410 HydrophobicContact CG2-CD1 3.88Å; I393-L410 HydrophobicContact CG2-CD2 4.04Å; I393-L410 HydrophobicContact CG2-CG 4.49Å; R397-L410 HydrophobicContact CB-CD1 4.11Å; L401-L410 HydrophobicContact CD1-CD1 3.83Å; L401-L410 HydrophobicContact CD1-CG 4.32Å; F406-L410 HydrophobicContact CD2-CB 4.26Å; F406-L410 HydrophobicContact CD2-CD1 3.86Å; F406-L410 HydrophobicContact CE2-CD1 4.46Å; F406-L410 WeakPolarHBondContact O-CB 3.47Å; F406-L410 PolarHBondContact O-N 2.77Å; F406-L410 VanDerWaalsContact O-N 3.08Å |
| 411 | A | 93.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | I | π-helix | trans | -77.6 | -21.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F376 L377 L380 K382 F406 C407 A413 | F376-A411 HydrophobicContact CD1-CB 3.95Å; F376-A411 HydrophobicContact CE1-CB 3.63Å; L377-A411 HydrophobicContact CD2-CB 4.07Å; L380-A411 HydrophobicContact CD1-CB 3.72Å; K382-A411 WeakPolarHBondContact CD-O 3.3Å; K382-A411 PolarHBondContact NZ-O 3.42Å; F406-A411 PolarHBondContact O-N 3.42Å; C407-A411 CarbonylContact O-C 3.49Å; A411-A413 HydrophobicContact CB-CB 4.13Å; A411-A413 PolarHBondContact O-N 3.49Å |
| 412 | M | 93.7 | Very high | 95.6 | Very high | 125 Ų | 125 | 56.9 Ų | 56.9 | 62% | 0.616 | 29% | 0.292 | S | S | * | . | trans | 45.9 | 48.4 | -166.8 | -46.3 | -83.6 | 127.4 | 0 | 0 | 111 | K382 C407 T408 E409 | K382-M412 VanDerWaalsContact NZ-CB 3.32Å; C407-M412 WeakPolarHBondContact O-CA 3.36Å; C407-M412 PolarHBondContact O-N 3.32Å; T408-M412 WeakPolarHBondContact O-CE 3.39Å; E409-M412 WeakPolarHBondContact O-CE 3.39Å | ||
| 413 | A | 94.9 | Very high | 95.6 | Very high | 19 Ų | 19 | 62.3 Ų | 62.3 | 16% | 0.157 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -132 | 164.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | F376 L380 C407 A411 D417 | F376-A413 HydrophobicContact CE1-CB 3.94Å; F376-A413 HydrophobicContact CZ-CB 3.76Å; L380-A413 HydrophobicContact CD1-CB 4.24Å; C407-A413 CarbonylContact C-O 3.54Å; C407-A413 WeakPolarHBondContact CB-O 3.47Å; C407-A413 PolarHBondContact O-N 3.46Å; A411-A413 HydrophobicContact CB-CB 4.13Å; A411-A413 PolarHBondContact O-N 3.49Å; A413-D417 HydrophobicContact CB-CB 4.45Å |
| 414 | T | 96.4 | Very high | 95.5 | Very high | 67 Ų | 67 | 65.6 Ų | 65.6 | 41% | 0.411 | 33% | 0.331 | S | S | . | . | trans | -77.1 | 158.1 | 173.6 | 68.5 | 0 | 0 | 0 | 0 | 110.6 | E416 D417 F418 | T414-E416 PolarHBondContact O-N 3.11Å; T414-D417 PolarHBondContact N-OD2 3.2Å; T414-D417 PolarHBondContact O-N 3.24Å; T414-D417 PolarHBondContact OG1-N 2.93Å; T414-D417 VanDerWaalsContact OG1-N 3.12Å; T414-D417 PolarHBondContact OG1-OD2 3Å; T414-F418 PolarHBondContact O-N 2.65Å | ||
| 415 | L | 96.1 | Very high | 95.2 | Very high | 36 Ų | 36 | 65.2 Ų | 65.2 | 19% | 0.188 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.8 | -35.3 | 175 | -174.7 | 66.3 | 0 | 0 | 0 | 110.6 | D403 E404 D417 F418 Y419 | D403-L415 HydrophobicContact CB-CD1 4.02Å; E404-L415 HydrophobicContact CG-CD2 4.12Å; L415-D417 VanDerWaalsContact C-N 3.35Å; L415-D417 PolarHBondContact O-N 3.1Å; L415-F418 PolarHBondContact O-N 2.86Å; L415-Y419 HydrophobicContact CD1-CE1 3.92Å; L415-Y419 HydrophobicContact CD1-CE2 4.21Å; L415-Y419 HydrophobicContact CD2-CE2 3.76Å; L415-Y419 HydrophobicContact CG-CD2 4.17Å; L415-Y419 HydrophobicContact CG-CE1 4.21Å; L415-Y419 HydrophobicContact CG-CE2 3.61Å; L415-Y419 PolarHBondContact O-N 2.86Å |
| 416 | E | 96.8 | Very high | 95.2 | Very high | 135 Ų | 135 | 65.5 Ų | 65.5 | 63% | 0.631 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.6 | -42 | 175.3 | -67.4 | 76.2 | -166.3 | 0 | 0 | 112.1 | T414 F418 Y419 L420 | T414-E416 PolarHBondContact O-N 3.11Å; E416-F418 VanDerWaalsContact C-N 3.31Å; E416-F418 PolarHBondContact O-N 3.4Å; E416-Y419 PolarHBondContact O-N 3.45Å; E416-L420 WeakPolarHBondContact O-CB 3.41Å; E416-L420 PolarHBondContact O-N 2.88Å |
| 417 | D | 95.8 | Very high | 95.1 | Very high | 78 Ų | 78 | 68.9 Ų | 68.9 | 42% | 0.417 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 176.2 | -65.3 | -41.4 | 0 | 0 | 0 | 111.2 | F376 A413 T414 L415 L420 F421 | F376-D417 HydrophobicContact CZ-CB 4.32Å; A413-D417 HydrophobicContact CB-CB 4.45Å; T414-D417 PolarHBondContact N-OD2 3.2Å; T414-D417 PolarHBondContact O-N 3.24Å; T414-D417 PolarHBondContact OG1-N 2.93Å; T414-D417 VanDerWaalsContact OG1-N 3.12Å; T414-D417 PolarHBondContact OG1-OD2 3Å; L415-D417 VanDerWaalsContact C-N 3.35Å; L415-D417 PolarHBondContact O-N 3.1Å; D417-L420 PolarHBondContact O-N 2.73Å; D417-F421 WeakPolarHBondContact O-CB 3.27Å; D417-F421 PolarHBondContact O-N 3.41Å |
| 418 | F | 97.1 | Very high | 95 | Very high | 2 Ų | 2 | 72.7 Ų | 72.7 | 1% | 0.009 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65 | -43.3 | 178.1 | -179.1 | -126.6 | 0 | 0 | 0 | 111.8 | E372 R373 F376 F406 C407 T414 L415 E416 L420 F421 Q422 | E372-F418 HydrophobicContact CB-CE2 4.46Å; E372-F418 HydrophobicContact CB-CZ 4.25Å; R373-F418 HydrophobicContact CG-CZ 4.1Å; F376-F418 HydrophobicContact CB-CD2 3.89Å; F376-F418 HydrophobicContact CB-CE2 3.85Å; F376-F418 HydrophobicContact CD1-CB 4.35Å; F376-F418 AromaticContact CD1-CD2 3.4Å; F376-F418 HydrophobicContact CD1-CD2 3.4Å; F376-F418 HydrophobicContact CD1-CE2 4.05Å; F376-F418 HydrophobicContact CD1-CG 4.2Å; F376-F418 HydrophobicContact CD2-CD2 4.12Å; F376-F418 HydrophobicContact CE1-CB 3.86Å; F376-F418 AromaticContact CE1-CD2 3.81Å; F376-F418 HydrophobicContact CE1-CD2 3.81Å; F376-F418 HydrophobicContact CE1-CG 4.2Å; F376-F418 HydrophobicContact CE2-CD2 4.49Å; F376-F418 AromaticContact CG-CD2 3.55Å; F376-F418 HydrophobicContact CG-CD2 3.55Å; F376-F418 HydrophobicContact CG-CE2 4.05Å; F376-F418 HydrophobicContact CZ-CB 4.01Å; F376-F418 HydrophobicContact CZ-CD2 4.34Å; F406-F418 HydrophobicContact CE1-CD2 4.2Å; F406-F418 HydrophobicContact CE1-CE2 4.01Å; F406-F418 HydrophobicContact CE1-CZ 4.18Å; C407-F418 WeakPolarHBondContact SG-CB 2.93Å; T414-F418 PolarHBondContact O-N 2.65Å; L415-F418 PolarHBondContact O-N 2.86Å; E416-F418 VanDerWaalsContact C-N 3.31Å; E416-F418 PolarHBondContact O-N 3.4Å; F418-L420 VanDerWaalsContact C-N 3.33Å; F418-L420 PolarHBondContact O-N 3.37Å; F418-F421 WeakPolarHBondContact O-CB 3.42Å; F418-F421 PolarHBondContact O-N 2.88Å; F418-Q422 HydrophobicContact CD2-CG 4.5Å; F418-Q422 HydrophobicContact CE1-CG 4.48Å; F418-Q422 HydrophobicContact CE2-CG 4.16Å; F418-Q422 HydrophobicContact CZ-CG 4.15Å; F418-Q422 WeakPolarHBondContact O-CG 3.46Å; F418-Q422 PolarHBondContact O-N 3.33Å |
| 419 | Y | 96.6 | Very high | 95 | Very high | 95 Ų | 95 | 72.1 Ų | 72.1 | 37% | 0.373 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.1 | -35.1 | 175.5 | -68 | -18.4 | 0 | 0 | 0 | 113 | L415 E416 Q422 K423 | L415-Y419 HydrophobicContact CD1-CE1 3.92Å; L415-Y419 HydrophobicContact CD1-CE2 4.21Å; L415-Y419 HydrophobicContact CD2-CE2 3.76Å; L415-Y419 HydrophobicContact CG-CD2 4.17Å; L415-Y419 HydrophobicContact CG-CE1 4.21Å; L415-Y419 HydrophobicContact CG-CE2 3.61Å; L415-Y419 PolarHBondContact O-N 2.86Å; E416-Y419 PolarHBondContact O-N 3.45Å; Y419-Q422 VanDerWaalsContact CD1-OE1 3.26Å; Y419-K423 WeakPolarHBondContact O-CG 3.1Å; Y419-K423 PolarHBondContact O-N 3.38Å |
| 420 | L | 96.7 | Very high | 95.1 | Very high | 113 Ų | 113 | 70.6 Ų | 70.6 | 59% | 0.592 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -66.8 | -41.6 | 174 | -173.8 | 63.5 | 0 | 0 | 0 | 110.8 | E416 D417 F418 K423 | E416-L420 WeakPolarHBondContact O-CB 3.41Å; E416-L420 PolarHBondContact O-N 2.88Å; D417-L420 PolarHBondContact O-N 2.73Å; F418-L420 VanDerWaalsContact C-N 3.33Å; F418-L420 PolarHBondContact O-N 3.37Å; L420-K423 WeakPolarHBondContact O-CB 3.31Å; L420-K423 PolarHBondContact O-N 2.69Å |
| 421 | F | 96.5 | Very high | 95.2 | Very high | 26 Ų | 26 | 74.3 Ų | 74.3 | 11% | 0.114 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63 | -43 | 174.6 | 178.4 | -97.5 | 0 | 0 | 0 | 112.3 | L375 F376 Y379 D417 F418 K423 T424 L425 | L375-F421 HydrophobicContact CB-CE1 4.02Å; L375-F421 HydrophobicContact CB-CZ 3.99Å; L375-F421 WeakPolarHBondContact O-CZ 3.42Å; F376-F421 VanDerWaalsContact CA-CE1 3.49Å; F376-F421 HydrophobicContact CB-CD1 3.75Å; F376-F421 HydrophobicContact CB-CE1 3.7Å; F376-F421 HydrophobicContact CB-CZ 4.43Å; F376-F421 HydrophobicContact CD2-CB 3.71Å; F376-F421 AromaticContact CD2-CD1 3.57Å; F376-F421 HydrophobicContact CD2-CD1 3.57Å; F376-F421 AromaticContact CD2-CD2 3.98Å; F376-F421 HydrophobicContact CD2-CD2 3.98Å; F376-F421 HydrophobicContact CD2-CE1 4.15Å; F376-F421 AromaticContact CD2-CG 3.47Å; F376-F421 HydrophobicContact CD2-CG 3.47Å; F376-F421 VanDerWaalsContact CD2-CG 3.47Å; F376-F421 HydrophobicContact CE2-CB 3.84Å; F376-F421 HydrophobicContact CE2-CG 4.09Å; F376-F421 HydrophobicContact CG-CD1 4.06Å; F376-F421 HydrophobicContact CG-CE1 4.42Å; F376-F421 HydrophobicContact CG-CG 4.39Å; Y379-F421 HydrophobicContact CD1-CD2 4.12Å; Y379-F421 HydrophobicContact CD1-CE2 4.17Å; Y379-F421 HydrophobicContact CD2-CE2 4.18Å; Y379-F421 HydrophobicContact CG-CD2 4.14Å; Y379-F421 AromaticContact CG-CE2 3.73Å; Y379-F421 HydrophobicContact CG-CE2 3.73Å; D417-F421 WeakPolarHBondContact O-CB 3.27Å; D417-F421 PolarHBondContact O-N 3.41Å; F418-F421 WeakPolarHBondContact O-CB 3.42Å; F418-F421 PolarHBondContact O-N 2.88Å; F421-K423 PolarHBondContact O-N 3.48Å; F421-K423 VanDerWaalsContact O-N 3.1Å; F421-T424 PolarHBondContact O-N 2.93Å; F421-T424 PolarHBondContact O-OG1 3.47Å; F421-L425 HydrophobicContact CD1-CD1 4.26Å; F421-L425 HydrophobicContact CD1-CG 4.45Å; F421-L425 HydrophobicContact CE1-CD1 3.82Å; F421-L425 HydrophobicContact CE1-CD2 4.01Å; F421-L425 HydrophobicContact CE1-CG 4.03Å; F421-L425 HydrophobicContact CZ-CD2 3.99Å; F421-L425 HydrophobicContact CZ-CG 4.45Å |
| 422 | Q | 94.6 | Very high | 95.3 | Very high | 50 Ų | 50 | 79.6 Ų | 79.6 | 23% | 0.234 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -57.9 | -28 | 177.3 | -77.8 | 175.6 | -37.3 | 0 | 0 | 113.2 | E372 F418 Y419 T424 | E372-Q422 HydrophobicContact CB-CG 4.41Å; E372-Q422 HydrophobicContact CG-CG 4.38Å; E372-Q422 PolarHBondContact OE2-NE2 3.25Å; F418-Q422 HydrophobicContact CD2-CG 4.5Å; F418-Q422 HydrophobicContact CE1-CG 4.48Å; F418-Q422 HydrophobicContact CE2-CG 4.16Å; F418-Q422 HydrophobicContact CZ-CG 4.15Å; F418-Q422 WeakPolarHBondContact O-CG 3.46Å; F418-Q422 PolarHBondContact O-N 3.33Å; Y419-Q422 VanDerWaalsContact CD1-OE1 3.26Å; Q422-T424 PolarHBondContact O-N 2.98Å |
| 423 | K | 95.5 | Very high | 95.5 | Very high | 170 Ų | 170 | 76.1 Ų | 76.1 | 74% | 0.739 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -10.5 | 176.2 | -67.4 | 172.9 | -177 | 176.3 | 0 | 113.8 | Y419 L420 F421 | Y419-K423 WeakPolarHBondContact O-CG 3.1Å; Y419-K423 PolarHBondContact O-N 3.38Å; L420-K423 WeakPolarHBondContact O-CB 3.31Å; L420-K423 PolarHBondContact O-N 2.69Å; F421-K423 PolarHBondContact O-N 3.48Å; F421-K423 VanDerWaalsContact O-N 3.1Å |
| 424 | T | 94.3 | Very high | 95.5 | Very high | 104 Ų | 104 | 80.8 Ų | 80.8 | 64% | 0.638 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -8.4 | 179 | 73.4 | 0 | 0 | 0 | 0 | 113.5 | F421 Q422 | F421-T424 PolarHBondContact O-N 2.93Å; F421-T424 PolarHBondContact O-OG1 3.47Å; Q422-T424 PolarHBondContact O-N 2.98Å |
| 425 | L | 89.5 | Confident | 95.4 | Very high | 94 Ų | 94 | 82.1 Ų | 82.1 | 49% | 0.492 | 40% | 0.402 | S | S | . | . | trans | -88.6 | 0 | -179.7 | -64.8 | -178.9 | 0 | 0 | 0 | 113.6 | E372 L375 F421 | E372-L425 HydrophobicContact CB-CD1 4.21Å; E372-L425 HydrophobicContact CG-CD1 3.81Å; L375-L425 HydrophobicContact CB-CD2 4.36Å; L375-L425 HydrophobicContact CD1-CD1 4.21Å; L375-L425 HydrophobicContact CD1-CD2 3.66Å; F421-L425 HydrophobicContact CD1-CD1 4.26Å; F421-L425 HydrophobicContact CD1-CG 4.45Å; F421-L425 HydrophobicContact CE1-CD1 3.82Å; F421-L425 HydrophobicContact CE1-CD2 4.01Å; F421-L425 HydrophobicContact CE1-CG 4.03Å; F421-L425 HydrophobicContact CZ-CD2 3.99Å; F421-L425 HydrophobicContact CZ-CG 4.45Å |
Retrieved 425 of 425 residues in 228.5 ms
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