| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.1 | Very low | 30.6 | Very low | 228 Ų | 228 | 174.5 Ų | 174.5 | 100% | 1.123 | 89% | 0.889 | S | S | * | * | 0 | 127 | 0 | -132.2 | 175.4 | -156.4 | 0 | 0 | 107.1 | |||||
| 2 | A | 33.5 | Very low | 30.5 | Very low | 100 Ų | 100 | 170.3 Ų | 170.3 | 83% | 0.826 | 89% | 0.887 | S | S | * | * | trans | -72.5 | 139.3 | -163.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | R4 | A2-R4 PolarHBondContact O-N 2.91Š| ||
| 3 | L | 27.8 | Very low | 30.4 | Very low | 179 Ų | 179 | 165.8 Ų | 165.8 | 94% | 0.937 | 88% | 0.878 | S | S | * | * | trans | -40.4 | 124.7 | 172.6 | -72.2 | 147.5 | 0 | 0 | 0 | 112.9 | ||||
| 4 | R | 34.3 | Very low | 30.3 | Very low | 236 Ų | 236 | 169.8 Ų | 169.8 | 89% | 0.891 | 88% | 0.875 | S | S | * | * | trans | -113.3 | 113.7 | 165.7 | -83.2 | -171 | 178.7 | 179.8 | 3.1 | 110.2 | A2 T6 | A2-R4 PolarHBondContact O-N 2.91Å; R4-T6 PolarHBondContact O-N 3.47Å | ||
| 5 | V | 30.6 | Very low | 30.1 | Very low | 141 Ų | 141 | 168 Ų | 168 | 86% | 0.855 | 88% | 0.876 | S | S | * | * | trans | -64.7 | 110.6 | 164.1 | 176.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 6 | T | 28.5 | Very low | 30 | Very low | 124 Ų | 124 | 167.1 Ų | 167.1 | 76% | 0.761 | 87% | 0.866 | S | S | * | * | trans | -77.5 | 117 | 174.8 | 40.9 | 0 | 0 | 0 | 0 | 110.5 | R4 | R4-T6 PolarHBondContact O-N 3.47Š| ||
| 7 | R | 31.8 | Very low | 30 | Very low | 238 Ų | 238 | 167.9 Ų | 167.9 | 90% | 0.898 | 87% | 0.871 | S | S | * | * | trans | -92.5 | 110.1 | 161.3 | -89.2 | -177.6 | 172.6 | 157.3 | -1.6 | 109 | ||||
| 8 | N | 27.9 | Very low | 29.8 | Very low | 158 Ų | 158 | 163.1 Ų | 163.1 | 85% | 0.845 | 87% | 0.868 | S | S | * | * | trans | -57 | 129.9 | 167 | -83.8 | -15.9 | 0 | 0 | 0 | 110.7 | ||||
| 9 | R | 30 | Very low | 29.7 | Very low | 245 Ų | 245 | 158.9 Ų | 158.9 | 93% | 0.925 | 87% | 0.868 | S | S | * | * | trans | -122.8 | 112.5 | 155.2 | -85.9 | -170 | 176.8 | -174.9 | -0.7 | 108.5 | ||||
| 10 | L | 30.1 | Very low | 29.6 | Very low | 173 Ų | 173 | 157.8 Ų | 157.8 | 91% | 0.906 | 87% | 0.866 | S | S | * | * | trans | -56.8 | 134.1 | 169.9 | -81.7 | 143.4 | 0 | 0 | 0 | 110.5 | ||||
| 11 | A | 26.2 | Very low | 29.6 | Very low | 98 Ų | 98 | 160 Ų | 160 | 81% | 0.81 | 87% | 0.867 | S | S | * | * | trans | -65.5 | 143.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 12 | S | 29.1 | Very low | 29.2 | Very low | 124 Ų | 124 | 153.7 Ų | 153.7 | 87% | 0.867 | 85% | 0.851 | S | S | * | * | trans | -143.9 | 151.7 | 157.5 | -146.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 13 | S | 29.3 | Very low | 28.8 | Very low | 111 Ų | 111 | 154.8 Ų | 154.8 | 78% | 0.776 | 85% | 0.851 | S | S | * | * | trans | -84.4 | 164 | -145.8 | 46.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 14 | R | 28.6 | Very low | 28.7 | Very low | 222 Ų | 222 | 151.1 Ų | 151.1 | 84% | 0.838 | 84% | 0.841 | S | S | * | * | trans | -44.2 | 149.4 | 167.7 | -76.6 | 172.9 | 164.4 | 175.6 | -6.4 | 115.1 | ||||
| 15 | T | 28.2 | Very low | 28.5 | Very low | 143 Ų | 143 | 146.7 Ų | 146.7 | 88% | 0.877 | 84% | 0.839 | S | S | * | * | trans | -141.3 | 131.1 | 140.8 | -32.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 16 | E | 28.5 | Very low | 28.4 | Very low | 154 Ų | 154 | 144.3 Ų | 144.3 | 72% | 0.72 | 84% | 0.835 | S | S | * | * | trans | -85.2 | 177.4 | 177.3 | -68.7 | -167.3 | 154.5 | 0 | 0 | 113.2 | ||||
| 17 | L | 29.3 | Very low | 28.9 | Very low | 181 Ų | 181 | 142.1 Ų | 142.1 | 95% | 0.948 | 84% | 0.837 | S | S | * | * | trans | 121.3 | 125.2 | 161.1 | -66.4 | 161.5 | 0 | 0 | 0 | 109.9 | ||||
| 18 | G | 26.8 | Very low | 28.9 | Very low | 80 Ų | 80 | 136.8 Ų | 136.8 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | cis | 163 | 162.6 | 6.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 19 | G | 27.6 | Very low | 29.2 | Very low | 84 Ų | 84 | 132.6 Ų | 132.6 | 87% | 0.866 | 83% | 0.827 | S | S | * | * | trans | 124.7 | 108.6 | 157.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 20 | V | 28.8 | Very low | 29.5 | Very low | 136 Ų | 136 | 129.5 Ų | 129.5 | 82% | 0.824 | 83% | 0.828 | S | S | * | * | trans | -55.7 | 141 | 175.4 | -164.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 21 | K | 29.1 | Very low | 29.8 | Very low | 205 Ų | 205 | 130.5 Ų | 130.5 | 89% | 0.891 | 83% | 0.825 | S | S | * | * | 160.1 | 147.4 | 118.3 | -87.6 | -173.1 | -179.5 | 178.1 | 0 | 114.4 | |||||
| 22 | A | 27 | Very low | 30.3 | Very low | 96 Ų | 96 | 131.7 Ų | 131.7 | 79% | 0.793 | 83% | 0.825 | S | S | * | * | trans | -91.8 | 148.8 | -172 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 23 | C | 26.1 | Very low | 30.9 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 82% | 0.824 | 83% | 0.826 | S | S | * | * | 179 | 125.8 | 123.8 | -119.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 24 | S | 25.9 | Very low | 31.1 | Very low | 102 Ų | 102 | 137.1 Ų | 137.1 | 71% | 0.713 | 83% | 0.833 | S | S | * | * | trans | 48.7 | 134.2 | 137.8 | 71 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 25 | V | 29.3 | Very low | 31.5 | Very low | 143 Ų | 143 | 130.7 Ų | 130.7 | 87% | 0.867 | 83% | 0.827 | S | S | * | * | trans | 88.6 | 135.4 | 149.4 | -156 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 26 | A | 28.7 | Very low | 32.2 | Very low | 92 Ų | 92 | 127.3 Ų | 127.3 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | 94.6 | 100.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 27 | G | 38.4 | Very low | 32.8 | Very low | 78 Ų | 78 | 122.6 Ų | 122.6 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -68 | 139.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 28 | P | 32.8 | Very low | 33.5 | Very low | 126 Ų | 126 | 123 Ų | 123 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 128.5 | 173.3 | 17.4 | -1.1 | 0 | 0 | 0 | 111.5 | ||
| 29 | G | 32.9 | Very low | 34.2 | Very low | 70 Ų | 70 | 124.1 Ų | 124.1 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 147.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K31 | G29-K31 PolarHBondContact O-N 3.03Å; G29-K31 VanDerWaalsContact O-N 3.14Å |
| 30 | L | 36.4 | Very low | 34.7 | Very low | 179 Ų | 179 | 122.4 Ų | 122.4 | 94% | 0.937 | 76% | 0.761 | S | S | * | * | trans | -66 | 108.6 | 176.5 | -68.6 | 165.5 | 0 | 0 | 0 | 109.6 | ||||
| 31 | K | 36.6 | Very low | 35.3 | Very low | 195 Ų | 195 | 124 Ų | 124 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | trans | -65.5 | 132.4 | 166.3 | -71.6 | -179.4 | 177 | 178.6 | 0 | 109.2 | G29 R33 | G29-K31 PolarHBondContact O-N 3.03Å; G29-K31 VanDerWaalsContact O-N 3.14Å; K31-R33 PolarHBondContact O-N 3.2Å | ||
| 32 | P | 37.5 | Very low | 35.7 | Very low | 123 Ų | 123 | 121.8 Ų | 121.8 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | trans | -68.1 | 133.4 | 173.7 | 25.3 | -29.8 | 0 | 0 | 0 | 110.4 | A34 | P32-A34 PolarHBondContact O-N 3.47Å; P32-A34 VanDerWaalsContact O-N 3.08Å | ||
| 33 | R | 40.5 | Very low | 36 | Very low | 239 Ų | 239 | 121.7 Ų | 121.7 | 90% | 0.902 | 76% | 0.76 | S | S | * | * | trans | -69.4 | 100.7 | 175.6 | -72.1 | -179.2 | 177.1 | 176.9 | -0.8 | 109.4 | K31 A35 | K31-R33 PolarHBondContact O-N 3.2Å; R33-A35 PolarHBondContact O-N 3.02Å | ||
| 34 | A | 33.8 | Very low | 36.2 | Very low | 110 Ų | 110 | 120.8 Ų | 120.8 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | 56.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | P32 | P32-A34 PolarHBondContact O-N 3.47Å; P32-A34 VanDerWaalsContact O-N 3.08Å |
| 35 | A | 37.2 | Very low | 36.4 | Very low | 87 Ų | 87 | 123.4 Ų | 123.4 | 72% | 0.719 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | -7.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | R33 | R33-A35 PolarHBondContact O-N 3.02Š|
| 36 | L | 42.3 | Very low | 36.4 | Very low | 71 Ų | 71 | 126.6 Ų | 126.6 | 37% | 0.372 | 77% | 0.77 | S | S | . | * | S | Bend | trans | -119.2 | 95.2 | -178.1 | -67 | 158.4 | 0 | 0 | 0 | 107.9 | Y240 | L36-Y240 HydrophobicContact CB-CE1 3.68Å; L36-Y240 WeakPolarHBondContact CB-OH 3.19Å; L36-Y240 HydrophobicContact CD1-CD1 3.89Å; L36-Y240 HydrophobicContact CD1-CE1 3.45Å; L36-Y240 VanDerWaalsContact CD1-CE1 3.45Å; L36-Y240 HydrophobicContact CD1-CE2 4.18Å; L36-Y240 HydrophobicContact CD1-CG 4.44Å; L36-Y240 HydrophobicContact CD2-CD1 4.29Å; L36-Y240 HydrophobicContact CD2-CE1 3.82Å; L36-Y240 HydrophobicContact CG-CE1 3.81Å |
| 37 | G | 42.4 | Very low | 36.3 | Very low | 55 Ų | 55 | 131.3 Ų | 131.3 | 57% | 0.567 | 78% | 0.776 | S | S | * | * | trans | -60.8 | 143.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | K184 | G37-K184 PolarHBondContact O-NZ 3.19Š| ||
| 38 | E | 43.9 | Very low | 35.8 | Very low | 189 Ų | 189 | 135 Ų | 135 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | -72.1 | 126.2 | 177.4 | -63.8 | -173.1 | 164.5 | 0 | 0 | 110.2 | ||||
| 39 | I | 41.2 | Very low | 35.7 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 53% | 0.533 | 78% | 0.778 | S | S | . | * | trans | -114.5 | 74.5 | 158.5 | -58.8 | 174.7 | 0 | 0 | 0 | 104.6 | ||||
| 40 | G | 38.7 | Very low | 35.4 | Very low | 48 Ų | 48 | 141.3 Ų | 141.3 | 50% | 0.495 | 79% | 0.785 | S | S | . | * | trans | -80.8 | 136.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110 | I42 | G40-I42 PolarHBondContact O-N 3.36Š| ||
| 41 | N | 40.1 | Very low | 34.9 | Very low | 170 Ų | 170 | 143 Ų | 143 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | -60.6 | 112.2 | 169.7 | -85.2 | -29.6 | 0 | 0 | 0 | 110.2 | ||||
| 42 | I | 38.3 | Very low | 34.3 | Very low | 159 Ų | 159 | 141 Ų | 141 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | trans | -129.9 | 123.6 | 167.8 | -63.9 | -177.8 | 0 | 0 | 0 | 111 | G40 | G40-I42 PolarHBondContact O-N 3.36Š| ||
| 43 | A | 32.8 | Very low | 33.9 | Very low | 93 Ų | 93 | 142.9 Ų | 142.9 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -63.8 | 141.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N45 | A43-N45 PolarHBondContact O-N 3.33Š| ||
| 44 | A | 30.3 | Very low | 33.2 | Very low | 103 Ų | 103 | 141.3 Ų | 141.3 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | trans | -66 | 121.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 45 | N | 30.6 | Very low | 32.9 | Very low | 157 Ų | 157 | 140.4 Ų | 140.4 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | trans | -160.7 | 119 | 139.1 | -128.3 | -5.9 | 0 | 0 | 0 | 109.5 | A43 | A43-N45 PolarHBondContact O-N 3.33Š| ||
| 46 | K | 29.3 | Very low | 32.3 | Very low | 211 Ų | 211 | 144.4 Ų | 144.4 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | trans | -168.9 | 137.6 | 149.4 | -109.1 | 166.7 | -171.4 | -177 | 0 | 113.2 | ||||
| 47 | E | 26.7 | Very low | 31.5 | Very low | 190 Ų | 190 | 147 Ų | 147 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -67.3 | 159 | 173.7 | -63 | 170.9 | 134 | 0 | 0 | 113.1 | ||||
| 48 | N | 26.9 | Very low | 30.9 | Very low | 155 Ų | 155 | 149.8 Ų | 149.8 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | trans | -72.4 | 159.9 | 176.1 | -79.4 | -36.1 | 0 | 0 | 0 | 113.2 | ||||
| 49 | P | 30.6 | Very low | 30 | Very low | 130 Ų | 130 | 150 Ų | 150 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | -143.5 | 158.8 | 104.6 | 30.2 | -11.2 | 0 | 0 | 0 | 116.8 | |||||
| 50 | K | 27.1 | Very low | 29.3 | Very low | 199 Ų | 199 | 154.5 Ų | 154.5 | 87% | 0.865 | 83% | 0.825 | S | S | * | * | trans | -71.5 | 157 | -176.6 | -60.9 | 169.2 | 175.3 | 174.3 | 0 | 114.5 | ||||
| 51 | K | 26.2 | Very low | 28.6 | Very low | 216 Ų | 216 | 159.2 Ų | 159.2 | 94% | 0.939 | 84% | 0.844 | S | S | * | * | trans | -165.5 | 144.6 | 131.2 | -110 | 171.8 | -174.3 | 179.4 | 0 | 114.7 | ||||
| 52 | N | 24.8 | Very low | 27.9 | Very low | 151 Ų | 151 | 160.4 Ų | 160.4 | 81% | 0.807 | 84% | 0.841 | S | S | * | * | trans | -72 | 167 | -177.2 | -70.9 | -32.7 | 0 | 0 | 0 | 115.1 | ||||
| 53 | I | 28.9 | Very low | 27.3 | Very low | 163 Ų | 163 | 159.2 Ų | 159.2 | 84% | 0.836 | 84% | 0.841 | S | S | * | * | 176.3 | 106.3 | 127.4 | -83.7 | 149.8 | 0 | 0 | 0 | 107.3 | |||||
| 54 | K | 26 | Very low | 26.9 | Very low | 207 Ų | 207 | 160 Ų | 160 | 90% | 0.9 | 84% | 0.837 | S | S | * | * | 65.7 | 131.4 | 99.2 | -73.8 | -167.5 | 179 | -176.8 | 0 | 117.4 | |||||
| 55 | A | 26.4 | Very low | 26.7 | Very low | 90 Ų | 90 | 163.8 Ų | 163.8 | 74% | 0.744 | 84% | 0.837 | S | S | * | * | trans | -92.5 | 163.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 56 | D | 25.6 | Very low | 26.4 | Very low | 172 Ų | 172 | 166.6 Ų | 166.6 | 92% | 0.92 | 84% | 0.841 | S | S | * | * | trans | -141.8 | 141.8 | 155.4 | -101.4 | -37.9 | 0 | 0 | 0 | 111.7 | ||||
| 57 | V | 25.5 | Very low | 26.2 | Very low | 125 Ų | 125 | 161.1 Ų | 161.1 | 76% | 0.758 | 84% | 0.835 | S | S | * | * | trans | -110.7 | 175.7 | -178.3 | 170 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 58 | V | 28.4 | Very low | 26.2 | Very low | 114 Ų | 114 | 160.2 Ų | 160.2 | 69% | 0.691 | 83% | 0.831 | S | S | * | * | trans | 113.8 | 133.3 | 155.7 | 178.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 59 | K | 26.4 | Very low | 26.1 | Very low | 192 Ų | 192 | 161.3 Ų | 161.3 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | cis | -159.6 | 160.2 | 4 | -120.7 | 161.8 | -157.6 | 170.4 | 0 | 109.7 | ||||
| 60 | K | 25.5 | Very low | 25.8 | Very low | 200 Ų | 200 | 161.2 Ų | 161.2 | 87% | 0.87 | 83% | 0.825 | S | S | * | * | trans | -77 | 155.6 | 166.1 | -70.2 | 172.5 | 172.8 | 174.2 | 0 | 112 | ||||
| 61 | T | 24.7 | Very low | 25.8 | Very low | 147 Ų | 147 | 161.8 Ų | 161.8 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | trans | -139.5 | 136.4 | 149.8 | -31.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 62 | K | 24.5 | Very low | 25.8 | Very low | 195 Ų | 195 | 160.1 Ų | 160.1 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | trans | -98.1 | 170.7 | 178.3 | -116 | -179.6 | 175.9 | -174.8 | 0 | 109.9 | ||||
| 63 | V | 25.9 | Very low | 26.1 | Very low | 133 Ų | 133 | 158 Ų | 158 | 81% | 0.806 | 82% | 0.818 | S | S | * | * | trans | 149 | 99.5 | 147.2 | 159.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 64 | T | 24 | Very low | 26 | Very low | 111 Ų | 111 | 158.7 Ų | 158.7 | 68% | 0.681 | 82% | 0.815 | S | S | * | * | 87.9 | 115.4 | 79.8 | 48.6 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 65 | E | 26.5 | Very low | 26 | Very low | 182 Ų | 182 | 157 Ų | 157 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | 45.9 | 131.8 | 134.8 | -66.9 | -179.9 | 168.6 | 0 | 0 | 123.2 | ||||
| 66 | K | 24.8 | Very low | 26 | Very low | 216 Ų | 216 | 159.7 Ų | 159.7 | 94% | 0.939 | 81% | 0.812 | S | S | * | * | -165.4 | 144.5 | 115.5 | -105.7 | 175.2 | -176.6 | -177.2 | 0 | 112.4 | |||||
| 67 | A | 25.1 | Very low | 26.2 | Very low | 95 Ų | 95 | 156.2 Ų | 156.2 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -110.7 | 155.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 68 | E | 26.7 | Very low | 26.4 | Very low | 172 Ų | 172 | 156.9 Ų | 156.9 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -168.5 | 113.6 | 148.6 | -108.6 | -178.6 | 158.8 | 0 | 0 | 109.3 | ||||
| 69 | K | 25 | Very low | 26.5 | Very low | 178 Ų | 178 | 159.4 Ų | 159.4 | 77% | 0.774 | 82% | 0.819 | S | S | * | * | 85 | 102.4 | 90.1 | -81 | -171.4 | -174.7 | 168.9 | 0 | 116.4 | |||||
| 70 | T | 23.6 | Very low | 26.7 | Very low | 127 Ų | 127 | 154.7 Ų | 154.7 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | 38.9 | 129.9 | 127.8 | 14.7 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 71 | K | 27.3 | Very low | 27 | Very low | 211 Ų | 211 | 151.6 Ų | 151.6 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | trans | -159.7 | 118.9 | 132.7 | -103.1 | 171.4 | -169.7 | -177.3 | 0 | 111.5 | ||||
| 72 | Q | 27.1 | Very low | 27.2 | Very low | 182 Ų | 182 | 153.1 Ų | 153.1 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | -112.1 | 157.5 | 152.6 | -103.8 | -172.1 | 10.4 | 0 | 0 | 105.6 | ||||
| 73 | P | 31.4 | Very low | 27.8 | Very low | 106 Ų | 106 | 149.3 Ų | 149.3 | 69% | 0.688 | 81% | 0.806 | S | S | * | * | -162 | 171 | 83.2 | 41.6 | -19.3 | 0 | 0 | 0 | 119.8 | |||||
| 74 | K | 26.1 | Very low | 28.3 | Very low | 177 Ų | 177 | 149.3 Ų | 149.3 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | trans | 92.7 | 113.6 | 152.4 | -50.4 | -166.8 | -179.1 | -179.9 | 0 | 118.1 | ||||
| 75 | Q | 25.7 | Very low | 28.8 | Very low | 173 Ų | 173 | 149.7 Ų | 149.7 | 81% | 0.808 | 81% | 0.81 | S | S | * | * | 67 | 129.8 | 68.6 | -80 | -176.6 | -11.4 | 0 | 0 | 112.1 | |||||
| 76 | N | 26.7 | Very low | 29.2 | Very low | 146 Ų | 146 | 149.9 Ų | 149.9 | 78% | 0.781 | 81% | 0.811 | S | S | * | * | cis | -147.3 | 177.5 | 26.6 | -72.6 | -44.2 | 0 | 0 | 0 | 108.2 | ||||
| 77 | A | 29.8 | Very low | 29.7 | Very low | 98 Ų | 98 | 145.9 Ų | 145.9 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | cis | -167.4 | 162.3 | 36.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 78 | V | 28.6 | Very low | 30 | Very low | 140 Ų | 140 | 149.8 Ų | 149.8 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | trans | -92.9 | 132.1 | 179.8 | 178.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 79 | I | 31.9 | Very low | 30.4 | Very low | 167 Ų | 167 | 147.9 Ų | 147.9 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | -147.4 | 124.1 | 154 | -58.7 | -175.2 | 0 | 0 | 0 | 111.6 | ||||
| 80 | A | 29.6 | Very low | 31 | Very low | 92 Ų | 92 | 147.4 Ų | 147.4 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | trans | 58.9 | 134.1 | 147.9 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 81 | V | 31.4 | Very low | 31.7 | Very low | 136 Ų | 136 | 147.1 Ų | 147.1 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -109.8 | 152.2 | 172.2 | -176.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 82 | E | 30.6 | Very low | 32.2 | Very low | 178 Ų | 178 | 145.8 Ų | 145.8 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | 99.7 | 148.5 | 163.3 | -60.6 | -162.6 | 166.2 | 0 | 0 | 118.4 | ||||
| 83 | P | 36 | Very low | 32.9 | Very low | 116 Ų | 116 | 143.1 Ų | 143.1 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | cis | -125.5 | 171 | -10.3 | 27.9 | -6.1 | 0 | 0 | 0 | 114.7 | ||||
| 84 | V | 35.9 | Very low | 33.6 | Very low | 133 Ų | 133 | 142.6 Ų | 142.6 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 135.3 | 173.8 | 178 | 0 | 0 | 0 | 0 | 111.8 | ||
| 85 | P | 36.1 | Very low | 34.3 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 133.5 | 161.6 | 4.9 | 11.6 | 0 | 0 | 0 | 111.1 | ||
| 86 | E | 33.2 | Very low | 35.4 | Very low | 187 Ų | 187 | 137.1 Ų | 137.1 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 137.2 | 179 | -74.5 | 163.4 | 131.2 | 0 | 0 | 114.3 | Q88 | E86-Q88 PolarHBondContact O-N 2.98Š|
| 87 | V | 35.1 | Very low | 36.2 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -66.4 | 110.7 | 165.8 | 175.1 | 0 | 0 | 0 | 0 | 108.5 | V89 | V87-V89 PolarHBondContact O-N 3.11Š| ||
| 88 | Q | 32.7 | Very low | 37 | Very low | 178 Ų | 178 | 137.6 Ų | 137.6 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -73.8 | 106.6 | 164.1 | -72.6 | -177 | -6.9 | 0 | 0 | 108.8 | E86 Q90 | E86-Q88 PolarHBondContact O-N 2.98Å; Q88-Q90 PolarHBondContact O-N 3.45Å | ||
| 89 | V | 35.5 | Very low | 38.4 | Very low | 131 Ų | 131 | 138.8 Ų | 138.8 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | -67.1 | 108.9 | 169.4 | 178.3 | 0 | 0 | 0 | 0 | 107.9 | V87 | V87-V89 PolarHBondContact O-N 3.11Š| ||
| 90 | Q | 36.1 | Very low | 39.3 | Very low | 168 Ų | 168 | 139.5 Ų | 139.5 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 142.2 | 165.8 | -68.3 | -170.9 | 4.8 | 0 | 0 | 109.3 | Q88 | Q88-Q90 PolarHBondContact O-N 3.45Š|
| 91 | P | 38.5 | Very low | 40.4 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 138.1 | 178.6 | -14.5 | 27.5 | 0 | 0 | 0 | 111 | ||
| 92 | E | 39.2 | Very low | 41.4 | Very low | 183 Ų | 183 | 137.9 Ų | 137.9 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 135.3 | 171.4 | -69.7 | -178.4 | 147.4 | 0 | 0 | 111 | A94 | E92-A94 PolarHBondContact O-N 3.49Š|
| 93 | P | 40.3 | Very low | 42.6 | Very low | 126 Ų | 126 | 133 Ų | 133 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 128 | 167.4 | 26.3 | -29.5 | 0 | 0 | 0 | 108.7 | S95 | P93-S95 PolarHBondContact O-N 3.29Š|
| 94 | A | 46.5 | Very low | 43.4 | Very low | 95 Ų | 95 | 131 Ų | 131 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 134.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | E92 | E92-A94 PolarHBondContact O-N 3.49Š|
| 95 | S | 41 | Very low | 44.3 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 134.7 | 172 | -87.1 | 0 | 0 | 0 | 0 | 110.6 | P93 T97 | P93-S95 PolarHBondContact O-N 3.29Å; S95-T97 PolarHBondContact O-N 2.84Å |
| 96 | P | 48.4 | Very low | 45.4 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 132.1 | 173 | 25.9 | -30.6 | 0 | 0 | 0 | 108.8 | ||
| 97 | T | 44.7 | Very low | 46.7 | Very low | 128 Ų | 128 | 125.7 Ų | 125.7 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 147.3 | 175 | 38 | 0 | 0 | 0 | 0 | 111.4 | S95 M99 | S95-T97 PolarHBondContact O-N 2.84Å; T97-M99 PolarHBondContact O-N 3.15Å |
| 98 | P | 45.1 | Very low | 47.8 | Very low | 127 Ų | 127 | 124.2 Ų | 124.2 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 124 | -177.1 | -11.8 | 25.3 | 0 | 0 | 0 | 109.9 | ||
| 99 | M | 58.4 | Low | 48.8 | Very low | 164 Ų | 164 | 117.7 Ų | 117.7 | 81% | 0.808 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 129.6 | 167.8 | -170.6 | 165.2 | 72 | 0 | 0 | 108 | T97 T101 | T97-M99 PolarHBondContact O-N 3.15Å; M99-T101 PolarHBondContact O-N 3.49Å |
| 100 | E | 50 | Low | 49.9 | Very low | 183 Ų | 183 | 115.6 Ų | 115.6 | 86% | 0.855 | 70% | 0.696 | S | S | * | * | trans | -65.1 | 103.2 | 179.5 | -69.1 | -156.4 | 159.2 | 0 | 0 | 110.7 | S102 | E100-S102 VanDerWaalsContact C-N 3.31Å; E100-S102 PolarHBondContact O-N 3.3Å | ||
| 101 | T | 52.8 | Low | 51 | Low | 77 Ų | 77 | 113 Ų | 113 | 47% | 0.472 | 68% | 0.684 | S | S | . | * | trans | -93.4 | 59.4 | 170.9 | 49.4 | 0 | 0 | 0 | 0 | 110 | M99 G103 L109 | M99-T101 PolarHBondContact O-N 3.49Å; T101-G103 PolarHBondContact O-N 3.09Å; T101-L109 HydrophobicContact CG2-CD2 4.07Å | ||
| 102 | S | 52.3 | Low | 51.9 | Low | 117 Ų | 117 | 109.5 Ų | 109.5 | 82% | 0.818 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 33.8 | -177 | -174.2 | 0 | 0 | 0 | 0 | 114.4 | E100 | E100-S102 VanDerWaalsContact C-N 3.31Å; E100-S102 PolarHBondContact O-N 3.3Å |
| 103 | G | 56.8 | Low | 52.7 | Low | 75 Ų | 75 | 107.4 Ų | 107.4 | 77% | 0.773 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -166.1 | 6.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | T101 | T101-G103 PolarHBondContact O-N 3.09Š|
| 104 | C | 51.8 | Low | 53.7 | Low | 73 Ų | 73 | 104.3 Ų | 104.3 | 49% | 0.493 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -108.9 | 133.5 | 174.5 | -68.4 | 0 | 0 | 0 | 0 | 110.1 | L109 | C104-L109 HydrophobicContact CB-CD1 4.16Å; C104-L109 HydrophobicContact CB-CD2 3.9Å; C104-L109 HydrophobicContact CB-CG 3.73Å |
| 105 | E | 56.8 | Low | 54.3 | Low | 132 Ų | 132 | 103.1 Ų | 103.1 | 62% | 0.617 | 62% | 0.616 | S | S | * | * | trans | -59.8 | 144.5 | 172.9 | -73.7 | -68.7 | 146.3 | 0 | 0 | 110 | T107 D108 L109 | E105-T107 PolarHBondContact O-N 3.35Å; E105-D108 PolarHBondContact O-N 2.87Å; E105-L109 PolarHBondContact O-N 2.81Å | ||
| 106 | P | 59.2 | Low | 55.2 | Low | 93 Ų | 93 | 102.3 Ų | 102.3 | 60% | 0.604 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -55.5 | -30.4 | -173.7 | -26.2 | 33.7 | 0 | 0 | 0 | 114.5 | C110 | P106-C110 PolarHBondContact O-N 3.08Å; P106-C110 PolarHBondContact O-SG 2.89Å |
| 107 | T | 60.2 | Low | 55.7 | Low | 102 Ų | 102 | 101.8 Ų | 101.8 | 63% | 0.626 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.1 | -37 | 176.3 | 40.6 | 0 | 0 | 0 | 0 | 113.1 | E105 C110 Q111 | E105-T107 PolarHBondContact O-N 3.35Å; T107-C110 PolarHBondContact O-N 3.03Å; T107-Q111 WeakPolarHBondContact O-CB 3.47Å; T107-Q111 PolarHBondContact O-N 3.44Å |
| 108 | D | 57.1 | Low | 56.4 | Low | 100 Ų | 100 | 99.9 Ų | 99.9 | 54% | 0.535 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -73.8 | -33.1 | -178.4 | -64.8 | -20.7 | 0 | 0 | 0 | 111 | E105 A112 | E105-D108 PolarHBondContact O-N 2.87Å; D108-A112 VanDerWaalsContact O-CB 3.27Å; D108-A112 WeakPolarHBondContact O-CB 3.29Å; D108-A112 PolarHBondContact O-N 3.33Å |
| 109 | L | 54.1 | Low | 57.1 | Low | 42 Ų | 42 | 98.9 Ų | 98.9 | 22% | 0.22 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -67.1 | -49 | 172.6 | -70.3 | 169.4 | 0 | 0 | 0 | 111 | T101 C104 E105 Q111 A112 F113 | T101-L109 HydrophobicContact CG2-CD2 4.07Å; C104-L109 HydrophobicContact CB-CD1 4.16Å; C104-L109 HydrophobicContact CB-CD2 3.9Å; C104-L109 HydrophobicContact CB-CG 3.73Å; E105-L109 PolarHBondContact O-N 2.81Å; L109-Q111 VanDerWaalsContact C-N 3.28Å; L109-Q111 PolarHBondContact O-N 3.09Å; L109-A112 PolarHBondContact O-N 2.89Å; L109-F113 HydrophobicContact CB-CD2 4.48Å; L109-F113 HydrophobicContact CB-CE2 4.45Å; L109-F113 WeakPolarHBondContact O-CD2 3.27Å; L109-F113 PolarHBondContact O-N 3.02Å |
| 110 | C | 58.9 | Low | 57.2 | Low | 86 Ų | 86 | 96.8 Ų | 96.8 | 58% | 0.581 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -58.4 | -41 | 176.8 | -73.4 | 0 | 0 | 0 | 0 | 112.2 | P106 T107 S114 | P106-C110 PolarHBondContact O-N 3.08Å; P106-C110 PolarHBondContact O-SG 2.89Å; T107-C110 PolarHBondContact O-N 3.03Å; C110-S114 WeakPolarHBondContact O-CB 3.23Å; C110-S114 PolarHBondContact O-N 3.31Å; C110-S114 PolarHBondContact O-OG 3.31Å |
| 111 | Q | 59.8 | Low | 58.1 | Low | 113 Ų | 113 | 91.9 Ų | 91.9 | 53% | 0.528 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.2 | -46.3 | 175.7 | -167.8 | 64.1 | 43.4 | 0 | 0 | 111.5 | T107 L109 F113 S114 D115 | T107-Q111 WeakPolarHBondContact O-CB 3.47Å; T107-Q111 PolarHBondContact O-N 3.44Å; L109-Q111 VanDerWaalsContact C-N 3.28Å; L109-Q111 PolarHBondContact O-N 3.09Å; Q111-F113 PolarHBondContact O-N 3.36Å; Q111-S114 PolarHBondContact O-N 3.01Å; Q111-D115 PolarHBondContact NE2-OD1 3.08Å; Q111-D115 WeakPolarHBondContact O-CB 3.15Å; Q111-D115 PolarHBondContact O-N 3.27Å |
| 112 | A | 57.6 | Low | 59.6 | Low | 49 Ų | 49 | 89.2 Ų | 89.2 | 41% | 0.405 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62 | -39.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D108 L109 V116 | D108-A112 VanDerWaalsContact O-CB 3.27Å; D108-A112 WeakPolarHBondContact O-CB 3.29Å; D108-A112 PolarHBondContact O-N 3.33Å; L109-A112 PolarHBondContact O-N 2.89Å; A112-V116 WeakPolarHBondContact O-CB 3.49Å; A112-V116 WeakPolarHBondContact O-CG2 3.37Å; A112-V116 PolarHBondContact O-N 2.92Å |
| 113 | F | 55 | Low | 61.2 | Low | 138 Ų | 138 | 89 Ų | 89 | 61% | 0.605 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.7 | -40 | 174.3 | -78.5 | -69.9 | 0 | 0 | 0 | 112.2 | L109 Q111 I117 | L109-F113 HydrophobicContact CB-CD2 4.48Å; L109-F113 HydrophobicContact CB-CE2 4.45Å; L109-F113 WeakPolarHBondContact O-CD2 3.27Å; L109-F113 PolarHBondContact O-N 3.02Å; Q111-F113 PolarHBondContact O-N 3.36Å; F113-I117 WeakPolarHBondContact O-CD1 3.45Å; F113-I117 VanDerWaalsContact O-CG1 3.26Å; F113-I117 WeakPolarHBondContact O-CG1 3.23Å; F113-I117 PolarHBondContact O-N 3.28Å |
| 114 | S | 61.5 | Low | 62.7 | Low | 61 Ų | 61 | 89.3 Ų | 89.3 | 43% | 0.427 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 174.2 | -75.8 | 0 | 0 | 0 | 0 | 112.5 | C110 Q111 I117 L118 | C110-S114 WeakPolarHBondContact O-CB 3.23Å; C110-S114 PolarHBondContact O-N 3.31Å; C110-S114 PolarHBondContact O-OG 3.31Å; Q111-S114 PolarHBondContact O-N 3.01Å; S114-I117 PolarHBondContact O-N 2.93Å; S114-L118 WeakPolarHBondContact O-CB 3.31Å; S114-L118 VanDerWaalsContact O-CG 3.24Å; S114-L118 WeakPolarHBondContact O-CG 3.38Å; S114-L118 PolarHBondContact O-N 2.89Å |
| 115 | D | 59.4 | Low | 64.6 | Low | 71 Ų | 71 | 86.4 Ų | 86.4 | 38% | 0.38 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 178 | -66.6 | -15.1 | 0 | 0 | 0 | 110.8 | Q111 L118 D119 | Q111-D115 PolarHBondContact NE2-OD1 3.08Å; Q111-D115 WeakPolarHBondContact O-CB 3.15Å; Q111-D115 PolarHBondContact O-N 3.27Å; D115-L118 PolarHBondContact O-N 3.37Å; D115-D119 VanDerWaalsContact O-CB 3.29Å; D115-D119 WeakPolarHBondContact O-CB 3.41Å; D115-D119 PolarHBondContact O-N 3Å |
| 116 | V | 59.2 | Low | 66.2 | Low | 94 Ų | 94 | 80.6 Ų | 80.6 | 57% | 0.57 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65 | -41.2 | 175.9 | 169.9 | 0 | 0 | 0 | 0 | 112.2 | A112 D119 T120 | A112-V116 WeakPolarHBondContact O-CB 3.49Å; A112-V116 WeakPolarHBondContact O-CG2 3.37Å; A112-V116 PolarHBondContact O-N 2.92Å; V116-D119 PolarHBondContact O-N 3.14Å; V116-T120 PolarHBondContact O-N 3.11Å; V116-T120 PolarHBondContact O-OG1 2.95Å |
| 117 | I | 60 | Low | 67.6 | Low | 113 Ų | 113 | 79.1 Ų | 79.1 | 58% | 0.579 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -68.1 | -40.3 | 177.4 | -68.8 | 167.3 | 0 | 0 | 0 | 111 | F113 S114 T120 A121 | F113-I117 WeakPolarHBondContact O-CD1 3.45Å; F113-I117 VanDerWaalsContact O-CG1 3.26Å; F113-I117 WeakPolarHBondContact O-CG1 3.23Å; F113-I117 PolarHBondContact O-N 3.28Å; S114-I117 PolarHBondContact O-N 2.93Å; I117-T120 WeakPolarHBondContact CA-OG1 3.48Å; I117-T120 PolarHBondContact O-N 3.35Å; I117-T120 PolarHBondContact O-OG1 3.32Å; I117-A121 WeakPolarHBondContact O-CB 3.09Å; I117-A121 PolarHBondContact O-N 2.86Å; I117-A121 VanDerWaalsContact O-N 3.07Å |
| 118 | L | 59.2 | Low | 68.9 | Low | 88 Ų | 88 | 81.8 Ų | 81.8 | 46% | 0.461 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.2 | -43.5 | 175.4 | -73.4 | 169.6 | 0 | 0 | 0 | 111 | S114 D115 T120 A121 I122 | S114-L118 WeakPolarHBondContact O-CB 3.31Å; S114-L118 VanDerWaalsContact O-CG 3.24Å; S114-L118 WeakPolarHBondContact O-CG 3.38Å; S114-L118 PolarHBondContact O-N 2.89Å; D115-L118 PolarHBondContact O-N 3.37Å; L118-T120 VanDerWaalsContact C-N 3.26Å; L118-T120 PolarHBondContact O-N 3.46Å; L118-A121 PolarHBondContact O-N 3.32Å; L118-A121 VanDerWaalsContact O-N 3.09Å; L118-I122 HydrophobicContact CB-CD1 3.99Å; L118-I122 HydrophobicContact CD2-CD1 4.39Å; L118-I122 VanDerWaalsContact O-CB 3.27Å; L118-I122 WeakPolarHBondContact O-CB 3.4Å; L118-I122 WeakPolarHBondContact O-CD1 3.41Å; L118-I122 WeakPolarHBondContact O-CG1 3.41Å; L118-I122 PolarHBondContact O-N 3.29Å |
| 119 | D | 58.3 | Low | 70.6 | Confident | 105 Ų | 105 | 78.3 Ų | 78.3 | 56% | 0.561 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -66.8 | -25 | 177.2 | -80.5 | -6.2 | 0 | 0 | 0 | 112.9 | D115 V116 H336 | D115-D119 VanDerWaalsContact O-CB 3.29Å; D115-D119 WeakPolarHBondContact O-CB 3.41Å; D115-D119 PolarHBondContact O-N 3Å; V116-D119 PolarHBondContact O-N 3.14Å; D119-H336 IonicContact OD1-CE1 2.71Å |
| 120 | T | 60.5 | Low | 72.1 | Confident | 121 Ų | 121 | 84.9 Ų | 84.9 | 74% | 0.742 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -81.2 | -25.5 | 170.8 | 15.8 | 0 | 0 | 0 | 0 | 113.4 | V116 I117 L118 | V116-T120 PolarHBondContact O-N 3.11Å; V116-T120 PolarHBondContact O-OG1 2.95Å; I117-T120 WeakPolarHBondContact CA-OG1 3.48Å; I117-T120 PolarHBondContact O-N 3.35Å; I117-T120 PolarHBondContact O-OG1 3.32Å; L118-T120 VanDerWaalsContact C-N 3.26Å; L118-T120 PolarHBondContact O-N 3.46Å |
| 121 | A | 70.3 | Confident | 73.6 | Confident | 80 Ų | 80 | 87.8 Ų | 87.8 | 66% | 0.661 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -89.9 | -25.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I117 L118 | I117-A121 WeakPolarHBondContact O-CB 3.09Å; I117-A121 PolarHBondContact O-N 2.86Å; I117-A121 VanDerWaalsContact O-N 3.07Å; L118-A121 PolarHBondContact O-N 3.32Å; L118-A121 VanDerWaalsContact O-N 3.09Å |
| 122 | I | 83.3 | Confident | 75 | Confident | 21 Ų | 21 | 85.7 Ų | 85.7 | 11% | 0.108 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -91.6 | 119.8 | -176.6 | -64.1 | 164.5 | 0 | 0 | 0 | 109 | L118 D124 T333 H336 Y337 | L118-I122 HydrophobicContact CB-CD1 3.99Å; L118-I122 HydrophobicContact CD2-CD1 4.39Å; L118-I122 VanDerWaalsContact O-CB 3.27Å; L118-I122 WeakPolarHBondContact O-CB 3.4Å; L118-I122 WeakPolarHBondContact O-CD1 3.41Å; L118-I122 WeakPolarHBondContact O-CG1 3.41Å; L118-I122 PolarHBondContact O-N 3.29Å; I122-D124 PolarHBondContact O-N 3.11Å; I122-T333 HydrophobicContact CG2-CG2 4.2Å; I122-H336 HydrophobicContact CD1-CB 3.67Å; I122-H336 VanDerWaalsContact CD1-ND1 3.33Å; I122-H336 WeakPolarHBondContact CD1-ND1 3.41Å; I122-H336 HydrophobicContact CG2-CB 4.39Å; I122-Y337 HydrophobicContact CG2-CE2 4.1Å |
| 123 | R | 86.9 | Confident | 76.5 | Confident | 112 Ų | 112 | 88.6 Ų | 88.6 | 42% | 0.423 | 48% | 0.483 | S | S | . | . | trans | -60.8 | 129.4 | 176.1 | -179.5 | -177.4 | 66.1 | 111.1 | -7.5 | 110.5 | V125 I281 E283 Y337 | R123-V125 PolarHBondContact O-N 3.1Å; R123-V125 VanDerWaalsContact O-N 3.14Å; R123-I281 PolarHBondContact NH2-O 3.41Å; R123-E283 IonicContact CZ-OE1 3.78Å; R123-E283 VanDerWaalsContact CZ-OE1 3.3Å; R123-E283 IonicContact NH1-OE1 3.1Å; R123-E283 PolarHBondContact NH1-OE1 3.46Å; R123-E283 IonicContact NH2-OE1 3.31Å; R123-E283 PolarHBondContact NH2-OE1 3.46Å; R123-Y337 PolarHBondContact O-OH 3.33Å | ||
| 124 | D | 88.6 | Confident | 78 | Confident | 81 Ų | 81 | 89.9 Ų | 89.9 | 43% | 0.433 | 49% | 0.494 | S | S | . | . | trans | -70.7 | 107.2 | 168.3 | -171.4 | -2.4 | 0 | 0 | 0 | 110.2 | I122 D126 A127 Y337 | I122-D124 PolarHBondContact O-N 3.11Å; D124-D126 PolarHBondContact O-N 3.07Å; D124-D126 PolarHBondContact OD1-N 3.5Å; D124-A127 HydrophobicContact CB-CB 4.16Å; D124-Y337 PolarHBondContact OD1-OH 2.85Å | ||
| 125 | V | 90 | Very high | 79.2 | Confident | 13 Ų | 13 | 90.1 Ų | 90.1 | 8% | 0.079 | 49% | 0.49 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -8.3 | -177.4 | -54.1 | 0 | 0 | 0 | 0 | 113.6 | R123 I281 T333 Y337 | R123-V125 PolarHBondContact O-N 3.1Å; R123-V125 VanDerWaalsContact O-N 3.14Å; V125-I281 HydrophobicContact CG1-CB 4.42Å; V125-I281 HydrophobicContact CG1-CG1 4.31Å; V125-I281 HydrophobicContact CG1-CG2 4.22Å; V125-I281 HydrophobicContact CG2-CG1 4.03Å; V125-T333 HydrophobicContact CG1-CG2 4.09Å; V125-Y337 HydrophobicContact CB-CE2 4.39Å; V125-Y337 HydrophobicContact CG1-CD2 4.29Å; V125-Y337 HydrophobicContact CG1-CE2 3.69Å; V125-Y337 HydrophobicContact CG2-CD2 4.43Å; V125-Y337 HydrophobicContact CG2-CE1 3.96Å; V125-Y337 HydrophobicContact CG2-CE2 3.9Å; V125-Y337 PolarHBondContact N-OH 3.45Å |
| 126 | D | 91 | Very high | 80.6 | Confident | 10 Ų | 10 | 89.3 Ų | 89.3 | 5% | 0.053 | 49% | 0.489 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 3 | -176.8 | -58.5 | -61.5 | 0 | 0 | 0 | 113.4 | D124 D128 D129 V140 R277 K280 | D124-D126 PolarHBondContact O-N 3.07Å; D124-D126 PolarHBondContact OD1-N 3.5Å; D126-D128 VanDerWaalsContact C-N 3.28Å; D126-D128 PolarHBondContact O-N 3.32Å; D126-D129 WeakPolarHBondContact CA-OD2 3.36Å; D126-D129 PolarHBondContact O-N 3.42Å; D126-V140 HydrophobicContact CB-CG1 4.43Å; D126-V140 WeakPolarHBondContact OD2-CG1 3.37Å; D126-R277 IonicContact OD1-CZ 3.24Å; D126-R277 IonicContact OD1-NH1 3.64Å; D126-R277 PolarHBondContact OD1-NH1 2.72Å; D126-R277 IonicContact OD1-NH2 2.58Å; D126-R277 IonicContact OD2-CZ 3.44Å; D126-R277 VanDerWaalsContact OD2-CZ 3.25Å; D126-R277 IonicContact OD2-NH1 3.2Å; D126-R277 PolarHBondContact OD2-NH1 3.15Å; D126-R277 IonicContact OD2-NH2 3.44Å; D126-R277 PolarHBondContact OD2-NH2 2.86Å; D126-K280 IonicContact OD1-NZ 2.76Å; D126-K280 PolarHBondContact OD1-NZ 2.91Å |
| 127 | A | 88.7 | Confident | 82.1 | Confident | 62 Ų | 62 | 86.1 Ų | 86.1 | 51% | 0.512 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -57.8 | -38.1 | -174 | 0 | 0 | 0 | 0 | 0 | 113.4 | D124 | D124-A127 HydrophobicContact CB-CB 4.16Š|
| 128 | D | 88.4 | Confident | 83.5 | Confident | 158 Ų | 158 | 87.1 Ų | 87.1 | 85% | 0.845 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -91 | 4.6 | -175 | -63.1 | -42 | 0 | 0 | 0 | 113.9 | D126 | D126-D128 VanDerWaalsContact C-N 3.28Å; D126-D128 PolarHBondContact O-N 3.32Å |
| 129 | D | 91.4 | Very high | 85.1 | Confident | 26 Ų | 26 | 89.1 Ų | 89.1 | 14% | 0.139 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -96.2 | -0.7 | -170.6 | -65.5 | -47.4 | 0 | 0 | 0 | 114.9 | D126 D131 N132 L135 K280 | D126-D129 WeakPolarHBondContact CA-OD2 3.36Å; D126-D129 PolarHBondContact O-N 3.42Å; D129-D131 PolarHBondContact O-N 3.46Å; D129-N132 PolarHBondContact O-N 3.44Å; D129-L135 HydrophobicContact CB-CB 4.13Å; D129-L135 HydrophobicContact CB-CD1 3.79Å; D129-L135 VanDerWaalsContact CG-CD1 3.45Å; D129-L135 WeakPolarHBondContact OD1-CD1 3.41Å; D129-K280 VanDerWaalsContact OD2-CE 3.24Å; D129-K280 WeakPolarHBondContact OD2-CE 3.48Å; D129-K280 IonicContact OD2-NZ 2.72Å; D129-K280 PolarHBondContact OD2-NZ 3Å |
| 130 | Y | 86.9 | Confident | 86.8 | Confident | 180 Ų | 180 | 84.7 Ų | 84.7 | 71% | 0.706 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -38.7 | -176.8 | -176.6 | -97.1 | 0 | 0 | 0 | 112.9 | N132 | Y130-N132 PolarHBondContact O-N 2.96Š|
| 131 | D | 89.6 | Confident | 88.3 | Confident | 147 Ų | 147 | 85.8 Ų | 85.8 | 79% | 0.786 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -3.3 | -178.3 | -69 | -30.2 | 0 | 0 | 0 | 114 | D129 P133 | D129-D131 PolarHBondContact O-N 3.46Å; D131-P133 VanDerWaalsContact O-CD 3.29Å; D131-P133 WeakPolarHBondContact O-CD 3.46Å |
| 132 | N | 89.5 | Confident | 89.5 | Confident | 70 Ų | 70 | 86.7 Ų | 86.7 | 37% | 0.374 | 44% | 0.44 | S | S | . | . | trans | -113.4 | 94.8 | -180 | -170.2 | -8.7 | 0 | 0 | 0 | 111.6 | D129 Y130 M134 L135 | D129-N132 PolarHBondContact O-N 3.44Å; Y130-N132 PolarHBondContact O-N 2.96Å; N132-M134 PolarHBondContact O-N 3.49Å; N132-M134 VanDerWaalsContact OD1-CB 3.31Å; N132-M134 WeakPolarHBondContact OD1-CB 3.44Å; N132-M134 PolarHBondContact OD1-N 2.91Å; N132-M134 VanDerWaalsContact OD1-N 3.11Å; N132-L135 HydrophobicContact CB-CD1 3.94Å; N132-L135 HydrophobicContact CB-CG 4.07Å; N132-L135 PolarHBondContact O-N 3.33Å | ||
| 133 | P | 88.6 | Confident | 90.1 | Very high | 109 Ų | 109 | 89.1 Ų | 89.1 | 71% | 0.708 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -20.7 | 178.4 | -26.3 | 33.5 | 0 | 0 | 0 | 114.4 | D131 L135 C136 | D131-P133 VanDerWaalsContact O-CD 3.29Å; D131-P133 WeakPolarHBondContact O-CD 3.46Å; P133-L135 VanDerWaalsContact C-N 3.26Å; P133-L135 PolarHBondContact O-N 2.93Å; P133-C136 PolarHBondContact O-SG 3.47Å; P133-C136 VanDerWaalsContact O-SG 3.36Å |
| 134 | M | 86.6 | Confident | 90.5 | Very high | 166 Ų | 166 | 86.3 Ų | 86.3 | 82% | 0.818 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -13.7 | 178.9 | -61.2 | -70.8 | 162.3 | 0 | 0 | 113.5 | N132 | N132-M134 PolarHBondContact O-N 3.49Å; N132-M134 VanDerWaalsContact OD1-CB 3.31Å; N132-M134 WeakPolarHBondContact OD1-CB 3.44Å; N132-M134 PolarHBondContact OD1-N 2.91Å; N132-M134 VanDerWaalsContact OD1-N 3.11Å |
| 135 | L | 87.3 | Confident | 90.8 | Very high | 66 Ų | 66 | 89.8 Ų | 89.8 | 35% | 0.346 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -16.1 | 178.8 | -61.9 | -179.2 | 0 | 0 | 0 | 112.6 | D129 N132 P133 S137 | D129-L135 HydrophobicContact CB-CB 4.13Å; D129-L135 HydrophobicContact CB-CD1 3.79Å; D129-L135 VanDerWaalsContact CG-CD1 3.45Å; D129-L135 WeakPolarHBondContact OD1-CD1 3.41Å; N132-L135 HydrophobicContact CB-CD1 3.94Å; N132-L135 HydrophobicContact CB-CG 4.07Å; N132-L135 PolarHBondContact O-N 3.33Å; P133-L135 VanDerWaalsContact C-N 3.26Å; P133-L135 PolarHBondContact O-N 2.93Å; L135-S137 PolarHBondContact O-N 2.95Å |
| 136 | C | 88.1 | Confident | 91.2 | Very high | 53 Ų | 53 | 95.6 Ų | 95.6 | 36% | 0.358 | 48% | 0.475 | S | S | . | . | trans | 46.7 | 45.8 | 177.4 | -55 | 0 | 0 | 0 | 0 | 112.4 | P133 E138 Y139 V140 I143 | P133-C136 PolarHBondContact O-SG 3.47Å; P133-C136 VanDerWaalsContact O-SG 3.36Å; C136-E138 PolarHBondContact O-N 3.37Å; C136-Y139 PolarHBondContact O-N 3.1Å; C136-V140 PolarHBondContact O-N 3.28Å; C136-I143 HydrophobicContact CB-CD1 4.32Å | ||
| 137 | S | 90.1 | Very high | 91.4 | Very high | 27 Ų | 27 | 95.9 Ų | 95.9 | 19% | 0.189 | 48% | 0.477 | C | S | . | . | G | 310 helix | trans | -56.7 | -36 | -173.2 | 52.7 | 0 | 0 | 0 | 0 | 112.7 | L135 Y139 V140 | L135-S137 PolarHBondContact O-N 2.95Å; S137-Y139 VanDerWaalsContact C-N 3.28Å; S137-Y139 PolarHBondContact O-N 3.14Å; S137-V140 VanDerWaalsContact O-CG1 3.27Å; S137-V140 WeakPolarHBondContact O-CG1 3.39Å; S137-V140 PolarHBondContact O-N 3.09Å |
| 138 | E | 90.8 | Very high | 91.8 | Very high | 135 Ų | 135 | 95.1 Ų | 95.1 | 63% | 0.631 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -58.5 | -32.5 | 174.7 | 54.9 | 178.4 | -168.7 | 0 | 0 | 114.2 | C136 | C136-E138 PolarHBondContact O-N 3.37Š|
| 139 | Y | 93.4 | Very high | 92.2 | Very high | 130 Ų | 130 | 92.7 Ų | 92.7 | 51% | 0.51 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -108.4 | -1.6 | -178.2 | -62.8 | -65.3 | 0 | 0 | 0 | 113.3 | C136 S137 K141 D142 I143 | C136-Y139 PolarHBondContact O-N 3.1Å; S137-Y139 VanDerWaalsContact C-N 3.28Å; S137-Y139 PolarHBondContact O-N 3.14Å; Y139-K141 VanDerWaalsContact C-N 3.28Å; Y139-K141 PolarHBondContact O-N 2.98Å; Y139-D142 PolarHBondContact O-N 2.95Å; Y139-D142 VanDerWaalsContact O-N 3.08Å; Y139-I143 WeakPolarHBondContact O-CB 3.37Å; Y139-I143 VanDerWaalsContact O-CG1 3.26Å; Y139-I143 WeakPolarHBondContact O-CG1 3.26Å; Y139-I143 PolarHBondContact O-N 3.25Å |
| 140 | V | 93.6 | Very high | 92.4 | Very high | 11 Ų | 11 | 92 Ų | 92 | 7% | 0.067 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -59.5 | -40.9 | -168.6 | 74.7 | 0 | 0 | 0 | 0 | 111.7 | D126 C136 S137 I143 Y144 | D126-V140 HydrophobicContact CB-CG1 4.43Å; D126-V140 WeakPolarHBondContact OD2-CG1 3.37Å; C136-V140 PolarHBondContact O-N 3.28Å; S137-V140 VanDerWaalsContact O-CG1 3.27Å; S137-V140 WeakPolarHBondContact O-CG1 3.39Å; S137-V140 PolarHBondContact O-N 3.09Å; V140-I143 PolarHBondContact O-N 2.99Å; V140-Y144 HydrophobicContact CG2-CD2 3.85Å; V140-Y144 HydrophobicContact CG2-CE2 3.8Å; V140-Y144 VanDerWaalsContact O-CD2 3.26Å; V140-Y144 WeakPolarHBondContact O-CD2 3.36Å; V140-Y144 PolarHBondContact O-N 2.97Å |
| 141 | K | 91.8 | Very high | 92.9 | Very high | 145 Ų | 145 | 83.8 Ų | 83.8 | 63% | 0.63 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.6 | -46.1 | 177.1 | -65.9 | -177.7 | -179.7 | -179.9 | 0 | 111.3 | Y139 Y144 K145 | Y139-K141 VanDerWaalsContact C-N 3.28Å; Y139-K141 PolarHBondContact O-N 2.98Å; K141-Y144 PolarHBondContact O-N 3.01Å; K141-K145 WeakPolarHBondContact O-CB 3.26Å; K141-K145 PolarHBondContact O-N 3.07Å |
| 142 | D | 95.6 | Very high | 93.1 | Very high | 98 Ų | 98 | 81.8 Ų | 81.8 | 52% | 0.524 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.5 | -41 | 178.9 | -64.3 | -36.5 | 0 | 0 | 0 | 112.4 | Y139 K145 Y146 | Y139-D142 PolarHBondContact O-N 2.95Å; Y139-D142 VanDerWaalsContact O-N 3.08Å; D142-K145 PolarHBondContact O-N 2.98Å; D142-Y146 WeakPolarHBondContact O-CB 3.44Å; D142-Y146 PolarHBondContact O-N 3.03Å |
| 143 | I | 95.6 | Very high | 93.4 | Very high | 73 Ų | 73 | 84.2 Ų | 84.2 | 37% | 0.374 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.6 | -51.7 | 176.6 | -69.8 | 164.7 | 0 | 0 | 0 | 109.6 | C136 Y139 V140 K145 Y146 L147 | C136-I143 HydrophobicContact CB-CD1 4.32Å; Y139-I143 WeakPolarHBondContact O-CB 3.37Å; Y139-I143 VanDerWaalsContact O-CG1 3.26Å; Y139-I143 WeakPolarHBondContact O-CG1 3.26Å; Y139-I143 PolarHBondContact O-N 3.25Å; V140-I143 PolarHBondContact O-N 2.99Å; I143-K145 VanDerWaalsContact C-N 3.35Å; I143-K145 PolarHBondContact O-N 2.6Å; I143-Y146 PolarHBondContact O-N 3.39Å; I143-L147 HydrophobicContact CG2-CD1 3.94Å; I143-L147 HydrophobicContact CG2-CG 4.3Å; I143-L147 VanDerWaalsContact O-CG 3.26Å; I143-L147 WeakPolarHBondContact O-CG 3.45Å; I143-L147 PolarHBondContact O-N 3.38Å |
| 144 | Y | 95.2 | Very high | 93.7 | Very high | 52 Ų | 52 | 79.6 Ų | 79.6 | 20% | 0.204 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67.9 | -35.2 | -179.2 | -80.6 | -78.3 | 0 | 0 | 0 | 112 | V140 K141 L147 R148 Q273 F274 R277 | V140-Y144 HydrophobicContact CG2-CD2 3.85Å; V140-Y144 HydrophobicContact CG2-CE2 3.8Å; V140-Y144 VanDerWaalsContact O-CD2 3.26Å; V140-Y144 WeakPolarHBondContact O-CD2 3.36Å; V140-Y144 PolarHBondContact O-N 2.97Å; K141-Y144 PolarHBondContact O-N 3.01Å; Y144-L147 HydrophobicContact CD1-CD1 4.32Å; Y144-L147 HydrophobicContact CE1-CD1 4.34Å; Y144-L147 PolarHBondContact O-N 3.03Å; Y144-R148 VanDerWaalsContact O-CG 3.23Å; Y144-R148 WeakPolarHBondContact O-CG 3.36Å; Y144-R148 PolarHBondContact O-N 3.4Å; Y144-Q273 PolarHBondContact OH-O 3.32Å; Y144-F274 AromaticContact CD1-CD1 3.88Å; Y144-F274 HydrophobicContact CD1-CD1 3.88Å; Y144-F274 AromaticContact CD1-CE1 3.87Å; Y144-F274 HydrophobicContact CD1-CE1 3.87Å; Y144-F274 AromaticContact CE1-CD1 3.95Å; Y144-F274 HydrophobicContact CE1-CD1 3.95Å; Y144-F274 HydrophobicContact CE1-CE1 4.3Å; Y144-R277 HydrophobicContact CD1-CG 4.29Å; Y144-R277 HydrophobicContact CD2-CG 4.31Å; Y144-R277 HydrophobicContact CE1-CB 3.64Å; Y144-R277 HydrophobicContact CE1-CG 3.84Å; Y144-R277 HydrophobicContact CE2-CB 4.19Å; Y144-R277 HydrophobicContact CE2-CG 3.9Å; Y144-R277 VanDerWaalsContact CZ-CB 3.49Å; Y144-R277 WeakPolarHBondContact OH-CB 3.15Å |
| 145 | K | 95.7 | Very high | 94 | Very high | 155 Ų | 155 | 74.8 Ų | 74.8 | 67% | 0.674 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -59.3 | -46.5 | 171.3 | -177.7 | 176.6 | 178.1 | -179.7 | 0 | 111.8 | K141 D142 I143 R148 Q149 | K141-K145 WeakPolarHBondContact O-CB 3.26Å; K141-K145 PolarHBondContact O-N 3.07Å; D142-K145 PolarHBondContact O-N 2.98Å; I143-K145 VanDerWaalsContact C-N 3.35Å; I143-K145 PolarHBondContact O-N 2.6Å; K145-R148 PolarHBondContact O-N 3.38Å; K145-Q149 PolarHBondContact O-N 3.44Å; K145-Q149 VanDerWaalsContact O-N 3.12Å |
| 146 | Y | 96.8 | Very high | 94.4 | Very high | 134 Ų | 134 | 71.7 Ų | 71.7 | 53% | 0.525 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 176.6 | 172.6 | -116.4 | 0 | 0 | 0 | 112.5 | D142 I143 R148 Q149 L150 | D142-Y146 WeakPolarHBondContact O-CB 3.44Å; D142-Y146 PolarHBondContact O-N 3.03Å; I143-Y146 PolarHBondContact O-N 3.39Å; Y146-R148 VanDerWaalsContact C-N 3.28Å; Y146-R148 PolarHBondContact O-N 2.99Å; Y146-Q149 WeakPolarHBondContact O-CB 3.47Å; Y146-Q149 PolarHBondContact O-N 3.41Å; Y146-Q149 VanDerWaalsContact O-N 3.16Å; Y146-L150 HydrophobicContact CD1-CD1 3.96Å; Y146-L150 HydrophobicContact CD2-CD1 4.48Å; Y146-L150 HydrophobicContact CD2-CG 4.23Å; Y146-L150 HydrophobicContact CE1-CD1 3.32Å; Y146-L150 HydrophobicContact CE1-CG 4.08Å; Y146-L150 HydrophobicContact CE2-CD1 3.91Å; Y146-L150 HydrophobicContact CE2-CD2 4.06Å; Y146-L150 HydrophobicContact CE2-CG 3.73Å; Y146-L150 PolarHBondContact O-N 3.25Å; Y146-L150 WeakPolarHBondContact OH-CD1 3.4Å |
| 147 | L | 96.9 | Very high | 94.7 | Very high | 17 Ų | 17 | 74.7 Ų | 74.7 | 9% | 0.089 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.3 | -36.1 | 176.4 | -68 | 176.2 | 0 | 0 | 0 | 111.7 | I143 Y144 L150 E151 P269 F274 | I143-L147 HydrophobicContact CG2-CD1 3.94Å; I143-L147 HydrophobicContact CG2-CG 4.3Å; I143-L147 VanDerWaalsContact O-CG 3.26Å; I143-L147 WeakPolarHBondContact O-CG 3.45Å; I143-L147 PolarHBondContact O-N 3.38Å; Y144-L147 HydrophobicContact CD1-CD1 4.32Å; Y144-L147 HydrophobicContact CE1-CD1 4.34Å; Y144-L147 PolarHBondContact O-N 3.03Å; L147-L150 PolarHBondContact O-N 3.04Å; L147-E151 PolarHBondContact O-N 3.01Å; L147-P269 HydrophobicContact CB-CB 4.29Å; L147-P269 HydrophobicContact CB-CG 4.24Å; L147-P269 HydrophobicContact CD2-CB 4.05Å; L147-P269 HydrophobicContact CD2-CG 3.99Å; L147-P269 WeakPolarHBondContact O-CG 3.38Å; L147-F274 HydrophobicContact CB-CE1 4.26Å; L147-F274 HydrophobicContact CB-CZ 3.79Å |
| 148 | R | 96.2 | Very high | 95 | Very high | 46 Ų | 46 | 76.9 Ų | 76.9 | 17% | 0.174 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.3 | -40 | 173.7 | -68.5 | -64.4 | -177.1 | 145 | 5.3 | 112.6 | Y144 K145 Y146 E151 V152 F274 S311 M338 Y340 | Y144-R148 VanDerWaalsContact O-CG 3.23Å; Y144-R148 WeakPolarHBondContact O-CG 3.36Å; Y144-R148 PolarHBondContact O-N 3.4Å; K145-R148 PolarHBondContact O-N 3.38Å; Y146-R148 VanDerWaalsContact C-N 3.28Å; Y146-R148 PolarHBondContact O-N 2.99Å; R148-E151 WeakPolarHBondContact CD-OE1 3.37Å; R148-E151 IonicContact NE-OE1 2.6Å; R148-E151 IonicContact NH1-OE1 3.29Å; R148-E151 WeakPolarHBondContact O-CG 3.26Å; R148-V152 WeakPolarHBondContact O-CG2 3.35Å; R148-F274 HydrophobicContact CG-CE1 4.45Å; R148-S311 PolarHBondContact NH1-OG 3.21Å; R148-M338 PolarHBondContact NH2-O 3.06Å; R148-Y340 VanDerWaalsContact NH1-CZ 3.31Å; R148-Y340 PolarHBondContact NH1-OH 3.4Å; R148-Y340 VanDerWaalsContact NH1-OH 3.12Å |
| 149 | Q | 96.4 | Very high | 95.2 | Very high | 107 Ų | 107 | 75 Ų | 75 | 50% | 0.5 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 174.7 | -179.1 | -179.7 | -11.1 | 0 | 0 | 110.9 | K145 Y146 E151 V152 E153 | K145-Q149 PolarHBondContact O-N 3.44Å; K145-Q149 VanDerWaalsContact O-N 3.12Å; Y146-Q149 WeakPolarHBondContact O-CB 3.47Å; Y146-Q149 PolarHBondContact O-N 3.41Å; Y146-Q149 VanDerWaalsContact O-N 3.16Å; Q149-E151 VanDerWaalsContact C-N 3.35Å; Q149-E151 PolarHBondContact O-N 3.41Å; Q149-V152 PolarHBondContact O-N 2.95Å; Q149-E153 HydrophobicContact CG-CG 4.49Å; Q149-E153 WeakPolarHBondContact CG-OE1 3.45Å; Q149-E153 PolarHBondContact NE2-OE1 3.23Å; Q149-E153 PolarHBondContact O-N 3.24Å; Q149-E153 VanDerWaalsContact O-N 3.08Å |
| 150 | L | 96.4 | Very high | 95.3 | Very high | 12 Ų | 12 | 69.8 Ų | 69.8 | 6% | 0.063 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.3 | -35.4 | -178.8 | -79.4 | -179.1 | 0 | 0 | 0 | 113.9 | Y146 L147 V152 E153 Q154 P269 | Y146-L150 HydrophobicContact CD1-CD1 3.96Å; Y146-L150 HydrophobicContact CD2-CD1 4.48Å; Y146-L150 HydrophobicContact CD2-CG 4.23Å; Y146-L150 HydrophobicContact CE1-CD1 3.32Å; Y146-L150 HydrophobicContact CE1-CG 4.08Å; Y146-L150 HydrophobicContact CE2-CD1 3.91Å; Y146-L150 HydrophobicContact CE2-CD2 4.06Å; Y146-L150 HydrophobicContact CE2-CG 3.73Å; Y146-L150 PolarHBondContact O-N 3.25Å; Y146-L150 WeakPolarHBondContact OH-CD1 3.4Å; L147-L150 PolarHBondContact O-N 3.04Å; L150-V152 PolarHBondContact O-N 2.82Å; L150-E153 PolarHBondContact O-N 3.37Å; L150-Q154 WeakPolarHBondContact O-CB 3.5Å; L150-Q154 PolarHBondContact O-N 3.08Å; L150-P269 HydrophobicContact CB-CG 3.53Å; L150-P269 HydrophobicContact CD1-CG 4.35Å |
| 151 | E | 95.9 | Very high | 95.5 | Very high | 7 Ų | 7 | 69.7 Ų | 69.7 | 3% | 0.033 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.6 | -27.9 | 179 | 64.4 | 176 | -180 | 0 | 0 | 112.6 | L147 R148 Q149 N155 P269 P309 P310 S311 | L147-E151 PolarHBondContact O-N 3.01Å; R148-E151 WeakPolarHBondContact CD-OE1 3.37Å; R148-E151 IonicContact NE-OE1 2.6Å; R148-E151 IonicContact NH1-OE1 3.29Å; R148-E151 WeakPolarHBondContact O-CG 3.26Å; Q149-E151 VanDerWaalsContact C-N 3.35Å; Q149-E151 PolarHBondContact O-N 3.41Å; E151-N155 PolarHBondContact O-N 2.93Å; E151-P269 HydrophobicContact CB-CB 4.41Å; E151-P269 HydrophobicContact CB-CG 4.1Å; E151-P309 HydrophobicContact CG-CB 4.4Å; E151-P310 HydrophobicContact CB-CG 4.34Å; E151-P310 WeakPolarHBondContact OE2-CD 3.15Å; E151-S311 WeakPolarHBondContact OE1-CB 3.26Å; E151-S311 PolarHBondContact OE1-OG 3.11Å; E151-S311 VanDerWaalsContact OE2-CB 3.22Å; E151-S311 WeakPolarHBondContact OE2-CB 3.36Å; E151-S311 PolarHBondContact OE2-N 3.01Å; E151-S311 PolarHBondContact OE2-OG 2.95Å |
| 152 | V | 95.1 | Very high | 95.6 | Very high | 104 Ų | 104 | 70.4 Ų | 70.4 | 63% | 0.63 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -75.2 | -47.2 | 173.2 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | R148 Q149 L150 Q154 N155 | R148-V152 WeakPolarHBondContact O-CG2 3.35Å; Q149-V152 PolarHBondContact O-N 2.95Å; L150-V152 PolarHBondContact O-N 2.82Å; V152-Q154 VanDerWaalsContact C-N 3.26Å; V152-Q154 PolarHBondContact O-N 3.2Å; V152-N155 WeakPolarHBondContact O-CB 3.28Å; V152-N155 PolarHBondContact O-N 3.4Å |
| 153 | E | 94.9 | Very high | 95.4 | Very high | 121 Ų | 121 | 69.9 Ų | 69.9 | 57% | 0.565 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.3 | -35.2 | 179.1 | -70.7 | 177.5 | -173.6 | 0 | 0 | 112.7 | Q149 L150 | Q149-E153 HydrophobicContact CG-CG 4.49Å; Q149-E153 WeakPolarHBondContact CG-OE1 3.45Å; Q149-E153 PolarHBondContact NE2-OE1 3.23Å; Q149-E153 PolarHBondContact O-N 3.24Å; Q149-E153 VanDerWaalsContact O-N 3.08Å; L150-E153 PolarHBondContact O-N 3.37Å |
| 154 | Q | 94.4 | Very high | 95.3 | Very high | 13 Ų | 13 | 68.3 Ų | 68.3 | 6% | 0.061 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 35.5 | -177.5 | -57 | -175 | 13.6 | 0 | 0 | 112.1 | L150 V152 R268 | L150-Q154 WeakPolarHBondContact O-CB 3.5Å; L150-Q154 PolarHBondContact O-N 3.08Å; V152-Q154 VanDerWaalsContact C-N 3.26Å; V152-Q154 PolarHBondContact O-N 3.2Å; Q154-R268 HydrophobicContact CB-CB 4.41Å; Q154-R268 HydrophobicContact CB-CG 4.13Å; Q154-R268 PolarHBondContact O-NE 2.93Å; Q154-R268 VanDerWaalsContact O-NE 3.16Å |
| 155 | N | 93.3 | Very high | 95.3 | Very high | 64 Ų | 64 | 70.5 Ų | 70.5 | 34% | 0.342 | 36% | 0.361 | S | S | . | . | trans | -71.7 | 156.6 | 178.4 | -163.1 | 19.5 | 0 | 0 | 0 | 112.4 | E151 V152 H307 | E151-N155 PolarHBondContact O-N 2.93Å; V152-N155 WeakPolarHBondContact O-CB 3.28Å; V152-N155 PolarHBondContact O-N 3.4Å; N155-H307 PolarHBondContact OD1-O 3.38Å | ||
| 156 | V | 95.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | trans | -105 | 130.9 | 175.4 | 178 | 0 | 0 | 0 | 0 | 109 | Y160 D200 R201 Q204 I306 H307 | V156-Y160 HydrophobicContact CG1-CD1 3.61Å; V156-Y160 HydrophobicContact CG1-CE1 3.73Å; V156-D200 HydrophobicContact CG1-CB 4.02Å; V156-D200 HydrophobicContact CG2-CB 3.84Å; V156-R201 HydrophobicContact CG2-CG 3.89Å; V156-Q204 VanDerWaalsContact CA-OE1 3.32Å; V156-I306 HydrophobicContact CG1-CB 4.28Å; V156-I306 HydrophobicContact CG1-CD1 4.03Å; V156-I306 HydrophobicContact CG1-CG1 4.28Å; V156-H307 WeakPolarHBondContact O-CA 3.48Å | ||
| 157 | K | 95.1 | Very high | 95.4 | Very high | 116 Ų | 116 | 59.7 Ų | 59.7 | 50% | 0.504 | 32% | 0.322 | S | S | . | . | trans | -67 | 139.1 | 179.7 | -64 | 168.4 | -171.5 | 154 | 0 | 110.5 | D205 | K157-D205 IonicContact NZ-OD1 3.58Å; K157-D205 PolarHBondContact NZ-OD1 3.16Å | ||
| 158 | P | 95.7 | Very high | 95.4 | Very high | 74 Ų | 74 | 61.6 Ų | 61.6 | 48% | 0.481 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 146 | 169.3 | 27.9 | -33.8 | 0 | 0 | 0 | 109.6 | Y160 H307 | P158-Y160 VanDerWaalsContact C-N 3.25Å; P158-Y160 PolarHBondContact O-N 2.71Å; P158-Y160 VanDerWaalsContact O-N 3.15Å; P158-H307 HydrophobicContact CB-CB 3.87Å; P158-H307 HydrophobicContact CG-CB 4.43Å |
| 159 | N | 94.8 | Very high | 95.4 | Very high | 96 Ų | 96 | 63.4 Ų | 63.4 | 51% | 0.513 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 26.3 | 174.3 | -59.4 | -43.8 | 0 | 0 | 0 | 116 | L161 Q162 Y303 | N159-L161 PolarHBondContact O-N 3.49Å; N159-L161 VanDerWaalsContact O-N 3.09Å; N159-Q162 HydrophobicContact CB-CB 4.48Å; N159-Q162 WeakPolarHBondContact O-CB 3.42Å; N159-Q162 PolarHBondContact O-N 3.44Å; N159-Y303 WeakPolarHBondContact CA-OH 3.43Å; N159-Y303 PolarHBondContact O-OH 2.83Å |
| 160 | Y | 96.3 | Very high | 95.5 | Very high | 19 Ų | 19 | 61.2 Ų | 61.2 | 8% | 0.075 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -23.5 | -177.6 | 75.6 | -103 | 0 | 0 | 0 | 115.8 | V156 P158 Q162 Q164 D200 L203 Q204 Y303 I306 | V156-Y160 HydrophobicContact CG1-CD1 3.61Å; V156-Y160 HydrophobicContact CG1-CE1 3.73Å; P158-Y160 VanDerWaalsContact C-N 3.25Å; P158-Y160 PolarHBondContact O-N 2.71Å; P158-Y160 VanDerWaalsContact O-N 3.15Å; Y160-Q162 VanDerWaalsContact C-N 3.3Å; Y160-Q164 PolarHBondContact O-NE2 3Å; Y160-D200 HydrophobicContact CE1-CB 4.22Å; Y160-D200 PolarHBondContact OH-OD1 3.16Å; Y160-L203 HydrophobicContact CD2-CB 4.29Å; Y160-L203 HydrophobicContact CE2-CB 3.48Å; Y160-L203 VanDerWaalsContact CE2-CB 3.48Å; Y160-Q204 HydrophobicContact CD1-CB 4.17Å; Y160-Q204 VanDerWaalsContact CD2-CA 3.49Å; Y160-Q204 HydrophobicContact CD2-CB 3.84Å; Y160-Q204 HydrophobicContact CG-CB 3.61Å; Y160-Y303 HydrophobicContact CD1-CE2 4.19Å; Y160-Y303 AromaticContact CE1-CE2 3.86Å; Y160-Y303 HydrophobicContact CE1-CE2 3.86Å; Y160-Y303 PolarHBondContact N-OH 2.9Å; Y160-I306 HydrophobicContact CD1-CD1 3.4Å; Y160-I306 VanDerWaalsContact CD1-CD1 3.4Å; Y160-I306 HydrophobicContact CE1-CD1 3.33Å |
| 161 | L | 96.4 | Very high | 95.6 | Very high | 10 Ų | 10 | 60.8 Ų | 60.8 | 5% | 0.052 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -3.2 | 174.2 | -65.1 | 176.9 | 0 | 0 | 0 | 113.7 | N159 G163 Q164 V166 R171 Y303 | N159-L161 PolarHBondContact O-N 3.49Å; N159-L161 VanDerWaalsContact O-N 3.09Å; L161-G163 PolarHBondContact O-N 2.58Å; L161-Q164 WeakPolarHBondContact O-CB 3.33Å; L161-Q164 PolarHBondContact O-N 3.17Å; L161-V166 HydrophobicContact CD1-CG1 4.29Å; L161-V166 HydrophobicContact CD2-CB 4.13Å; L161-V166 HydrophobicContact CD2-CG1 3.96Å; L161-R171 HydrophobicContact CD1-CB 4.23Å; L161-Y303 HydrophobicContact CB-CE2 4.1Å; L161-Y303 VanDerWaalsContact CB-OH 3.31Å; L161-Y303 WeakPolarHBondContact CB-OH 3.17Å; L161-Y303 HydrophobicContact CD1-CD2 3.99Å; L161-Y303 HydrophobicContact CD1-CE2 3.55Å; L161-Y303 HydrophobicContact CG-CE2 3.74Å; L161-Y303 PolarHBondContact N-OH 2.98Å |
| 162 | Q | 94.4 | Very high | 95.7 | Very high | 160 Ų | 160 | 60.8 Ų | 60.8 | 75% | 0.748 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 123.1 | 179.2 | -173.3 | 173.6 | 3.9 | 0 | 0 | 110.2 | N159 Y160 Q164 | N159-Q162 HydrophobicContact CB-CB 4.48Å; N159-Q162 WeakPolarHBondContact O-CB 3.42Å; N159-Q162 PolarHBondContact O-N 3.44Å; Y160-Q162 VanDerWaalsContact C-N 3.3Å; Q162-Q164 VanDerWaalsContact C-N 3.29Å; Q162-Q164 PolarHBondContact O-N 3.1Å |
| 163 | G | 91.3 | Very high | 95.8 | Very high | 87 Ų | 87 | 60.1 Ų | 60.1 | 90% | 0.897 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | 1.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L161 | L161-G163 PolarHBondContact O-N 2.58Š|
| 164 | Q | 94.3 | Very high | 96 | Very high | 39 Ų | 39 | 54.9 Ų | 54.9 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -87.8 | 159.9 | 173.3 | -57.1 | -163.5 | 16.2 | 0 | 0 | 111.9 | Y160 L161 Q162 V166 L203 | Y160-Q164 PolarHBondContact O-NE2 3Å; L161-Q164 WeakPolarHBondContact O-CB 3.33Å; L161-Q164 PolarHBondContact O-N 3.17Å; Q162-Q164 VanDerWaalsContact C-N 3.29Å; Q162-Q164 PolarHBondContact O-N 3.1Å; Q164-V166 VanDerWaalsContact C-N 3.29Å; Q164-L203 PolarHBondContact NE2-O 3.46Å; Q164-L203 VanDerWaalsContact NE2-O 3.08Å |
| 165 | E | 95.1 | Very high | 96.2 | Very high | 99 Ų | 99 | 54.2 Ų | 54.2 | 46% | 0.463 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -66.8 | -33.5 | 173.4 | -165.5 | -169.3 | 178.5 | 0 | 0 | 111.6 | T167 P209 K210 | E165-T167 PolarHBondContact O-N 3.21Å; E165-P209 VanDerWaalsContact OE2-CA 3.23Å; E165-P209 WeakPolarHBondContact OE2-CA 3.48Å; E165-K210 HydrophobicContact CG-CB 4.38Å; E165-K210 WeakPolarHBondContact OE1-CD 3.36Å; E165-K210 VanDerWaalsContact OE1-CE 3.23Å; E165-K210 WeakPolarHBondContact OE1-CE 3.13Å; E165-K210 VanDerWaalsContact OE1-CG 3.29Å; E165-K210 WeakPolarHBondContact OE1-CG 3.31Å; E165-K210 IonicContact OE1-NZ 2.71Å; E165-K210 PolarHBondContact OE2-N 3.49Å |
| 166 | V | 97 | Very high | 96.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -76.1 | 121.2 | 176.6 | 173.7 | 0 | 0 | 0 | 0 | 109.5 | L161 Q164 M170 V208 L213 | L161-V166 HydrophobicContact CD1-CG1 4.29Å; L161-V166 HydrophobicContact CD2-CB 4.13Å; L161-V166 HydrophobicContact CD2-CG1 3.96Å; Q164-V166 VanDerWaalsContact C-N 3.29Å; V166-M170 HydrophobicContact CG1-CB 4.32Å; V166-V208 HydrophobicContact CG2-CG2 4.11Å; V166-L213 HydrophobicContact CG1-CD1 4.04Å; V166-L213 HydrophobicContact CG1-CD2 3.76Å; V166-L213 HydrophobicContact CG2-CB 4.43Å; V166-L213 HydrophobicContact CG2-CD1 4.3Å; V166-L213 HydrophobicContact CG2-CD2 4.26Å |
| 167 | T | 97.3 | Very high | 96.6 | Very high | 62 Ų | 62 | 54.4 Ų | 54.4 | 38% | 0.38 | 30% | 0.301 | S | S | . | . | trans | -93 | 161.9 | 178 | 69.9 | 0 | 0 | 0 | 0 | 112.2 | E165 N169 M170 R171 | E165-T167 PolarHBondContact O-N 3.21Å; T167-N169 PolarHBondContact O-N 3.22Å; T167-M170 HydrophobicContact CG2-CE 4.49Å; T167-M170 WeakPolarHBondContact O-CB 3.24Å; T167-M170 PolarHBondContact O-N 3.4Å; T167-M170 WeakPolarHBondContact OG1-CG 3.38Å; T167-M170 PolarHBondContact OG1-N 3.32Å; T167-R171 PolarHBondContact O-N 2.99Å | ||
| 168 | S | 96.6 | Very high | 96.7 | Very high | 56 Ų | 56 | 48.9 Ų | 48.9 | 39% | 0.392 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -54.3 | -37.8 | 172.8 | 56.4 | 0 | 0 | 0 | 0 | 112.8 | R171 A172 Y303 | S168-R171 WeakPolarHBondContact O-CB 3.43Å; S168-R171 PolarHBondContact O-N 2.87Å; S168-A172 PolarHBondContact O-N 2.85Å; S168-Y303 VanDerWaalsContact CB-CD1 3.44Å |
| 169 | N | 96.8 | Very high | 96.9 | Very high | 85 Ų | 85 | 45.4 Ų | 45.4 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -69.8 | -36.7 | 176.1 | -174.7 | 58.2 | 0 | 0 | 0 | 112.4 | T167 R171 A172 I173 H366 | T167-N169 PolarHBondContact O-N 3.22Å; N169-R171 VanDerWaalsContact C-N 3.33Å; N169-A172 PolarHBondContact O-N 3.05Å; N169-I173 VanDerWaalsContact O-CG1 3.28Å; N169-I173 WeakPolarHBondContact O-CG1 3.28Å; N169-I173 PolarHBondContact O-N 3.45Å; N169-H366 PolarHBondContact OD1-NE2 2.92Å |
| 170 | M | 97.9 | Very high | 97 | Very high | 61 Ų | 61 | 44.2 Ų | 44.2 | 30% | 0.3 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.8 | -40.1 | 173.9 | -69.6 | 176.7 | -174.8 | 0 | 0 | 111.5 | V166 T167 I173 L174 K210 L213 | V166-M170 HydrophobicContact CG1-CB 4.32Å; T167-M170 HydrophobicContact CG2-CE 4.49Å; T167-M170 WeakPolarHBondContact O-CB 3.24Å; T167-M170 PolarHBondContact O-N 3.4Å; T167-M170 WeakPolarHBondContact OG1-CG 3.38Å; T167-M170 PolarHBondContact OG1-N 3.32Å; M170-I173 PolarHBondContact O-N 3.27Å; M170-L174 PolarHBondContact O-N 3.47Å; M170-K210 HydrophobicContact CE-CD 4.49Å; M170-K210 HydrophobicContact SD-CB 4.14Å; M170-L213 HydrophobicContact CB-CD2 3.77Å |
| 171 | R | 98.1 | Very high | 97.1 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 1% | 0.011 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.8 | -49 | 171.2 | -179.9 | -169.3 | 174.4 | -77.9 | -3.8 | 111 | L161 T167 S168 N169 I173 L174 I175 D200 M300 | L161-R171 HydrophobicContact CD1-CB 4.23Å; T167-R171 PolarHBondContact O-N 2.99Å; S168-R171 WeakPolarHBondContact O-CB 3.43Å; S168-R171 PolarHBondContact O-N 2.87Å; N169-R171 VanDerWaalsContact C-N 3.33Å; R171-I173 VanDerWaalsContact C-N 3.33Å; R171-I173 PolarHBondContact O-N 3.35Å; R171-L174 WeakPolarHBondContact O-CB 3.29Å; R171-L174 PolarHBondContact O-N 3.13Å; R171-L174 VanDerWaalsContact O-N 3.11Å; R171-I175 HydrophobicContact CG-CG1 4.3Å; R171-I175 WeakPolarHBondContact O-CG1 3.33Å; R171-I175 PolarHBondContact O-N 2.72Å; R171-D200 IonicContact CZ-OD1 2.65Å; R171-D200 VanDerWaalsContact CZ-OD1 3.31Å; R171-D200 IonicContact CZ-OD2 3.79Å; R171-D200 IonicContact NE-OD1 3.25Å; R171-D200 PolarHBondContact NE-OD1 2.87Å; R171-D200 IonicContact NE-OD2 3.14Å; R171-D200 VanDerWaalsContact NH2-CG 3.31Å; R171-D200 IonicContact NH2-OD1 2.98Å; R171-D200 PolarHBondContact NH2-OD1 3.12Å; R171-D200 VanDerWaalsContact NH2-OD1 3.1Å; R171-D200 IonicContact NH2-OD2 2.74Å; R171-D200 PolarHBondContact NH2-OD2 2.88Å; R171-M300 PolarHBondContact NH1-O 2.92Å; R171-M300 PolarHBondContact NH2-O 2.64Å |
| 172 | A | 97.9 | Very high | 97.2 | Very high | 7 Ų | 7 | 43.1 Ų | 43.1 | 6% | 0.058 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59 | -41.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S168 N169 I175 D176 V301 H366 | S168-A172 PolarHBondContact O-N 2.85Å; N169-A172 PolarHBondContact O-N 3.05Å; A172-I175 PolarHBondContact O-N 3.1Å; A172-D176 WeakPolarHBondContact O-CB 3.38Å; A172-D176 PolarHBondContact O-N 2.99Å; A172-V301 HydrophobicContact CB-CG1 3.71Å; A172-H366 WeakPolarHBondContact CB-NE2 3.31Å |
| 173 | I | 98.4 | Very high | 97.3 | Very high | 89 Ų | 89 | 39.3 Ų | 39.3 | 46% | 0.456 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60 | -45.8 | 173.7 | -67.7 | 165.3 | 0 | 0 | 0 | 110.9 | N169 M170 R171 W177 | N169-I173 VanDerWaalsContact O-CG1 3.28Å; N169-I173 WeakPolarHBondContact O-CG1 3.28Å; N169-I173 PolarHBondContact O-N 3.45Å; M170-I173 PolarHBondContact O-N 3.27Å; R171-I173 VanDerWaalsContact C-N 3.33Å; R171-I173 PolarHBondContact O-N 3.35Å; I173-W177 WeakPolarHBondContact O-CB 3.28Å; I173-W177 PolarHBondContact O-N 3.49Å; I173-W177 VanDerWaalsContact O-N 3.08Å |
| 174 | L | 98.6 | Very high | 97.6 | Very high | 11 Ų | 11 | 38.6 Ų | 38.6 | 6% | 0.058 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.7 | -49.8 | 178.1 | 178.2 | 69.8 | 0 | 0 | 0 | 111.3 | M170 R171 W177 L178 I199 L213 | M170-L174 PolarHBondContact O-N 3.47Å; R171-L174 WeakPolarHBondContact O-CB 3.29Å; R171-L174 PolarHBondContact O-N 3.13Å; R171-L174 VanDerWaalsContact O-N 3.11Å; L174-W177 HydrophobicContact CD1-CE3 4.14Å; L174-W177 HydrophobicContact CD1-CZ3 4.41Å; L174-W177 PolarHBondContact O-N 3.23Å; L174-L178 HydrophobicContact CD1-CD1 4.29Å; L174-L178 HydrophobicContact CD1-CG 4.36Å; L174-L178 HydrophobicContact CD2-CD1 4.38Å; L174-L178 HydrophobicContact CG-CD1 3.94Å; L174-L178 HydrophobicContact CG-CG 4.38Å; L174-L178 WeakPolarHBondContact O-CB 3.48Å; L174-L178 WeakPolarHBondContact O-CG 3.46Å; L174-L178 PolarHBondContact O-N 3.26Å; L174-I199 HydrophobicContact CD2-CD1 4.12Å; L174-L213 HydrophobicContact CD2-CD1 3.86Å; L174-L213 HydrophobicContact CD2-CG 3.96Å |
| 175 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.9 | -42.3 | -177.5 | -60.6 | -43.5 | 0 | 0 | 0 | 111 | R171 A172 W177 L178 V179 M192 V196 I199 M300 V301 | R171-I175 HydrophobicContact CG-CG1 4.3Å; R171-I175 WeakPolarHBondContact O-CG1 3.33Å; R171-I175 PolarHBondContact O-N 2.72Å; A172-I175 PolarHBondContact O-N 3.1Å; I175-W177 VanDerWaalsContact C-N 3.33Å; I175-W177 PolarHBondContact O-N 2.71Å; I175-L178 HydrophobicContact CD1-CD1 4.17Å; I175-L178 PolarHBondContact O-N 3.2Å; I175-V179 WeakPolarHBondContact O-CG2 3.24Å; I175-V179 PolarHBondContact O-N 2.89Å; I175-M192 HydrophobicContact CG2-CE 3.95Å; I175-V196 HydrophobicContact CD1-CG2 4.01Å; I175-V196 HydrophobicContact CG2-CG2 4.11Å; I175-I199 HydrophobicContact CD1-CD1 3.77Å; I175-M300 HydrophobicContact CG2-CB 4.08Å; I175-V301 HydrophobicContact CG2-CG2 4.17Å |
| 176 | D | 98.5 | Very high | 97.8 | Very high | 17 Ų | 17 | 44.9 Ų | 44.9 | 9% | 0.091 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.6 | -44.9 | 175.9 | -174.2 | 86.3 | 0 | 0 | 0 | 111.8 | A172 V179 Q180 H366 M367 A368 | A172-D176 WeakPolarHBondContact O-CB 3.38Å; A172-D176 PolarHBondContact O-N 2.99Å; D176-V179 WeakPolarHBondContact O-CB 3.27Å; D176-V179 PolarHBondContact O-N 3.12Å; D176-Q180 PolarHBondContact O-N 2.86Å; D176-Q180 PolarHBondContact OD2-NE2 3.18Å; D176-H366 HydrophobicContact CB-CB 4.1Å; D176-H366 VanDerWaalsContact OD1-CA 3.27Å; D176-H366 WeakPolarHBondContact OD1-CA 3.41Å; D176-M367 PolarHBondContact OD1-N 3.47Å; D176-A368 WeakPolarHBondContact O-CB 3.47Å; D176-A368 WeakPolarHBondContact OD1-CB 3.49Å; D176-A368 PolarHBondContact OD1-N 3.2Å |
| 177 | W | 98.5 | Very high | 97.9 | Very high | 52 Ų | 52 | 45.7 Ų | 45.7 | 20% | 0.197 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.3 | -42.5 | 174.9 | 174 | 76.9 | 0 | 0 | 0 | 112.3 | I173 L174 I175 V179 Q180 V181 Q214 V218 V241 T242 | I173-W177 WeakPolarHBondContact O-CB 3.28Å; I173-W177 PolarHBondContact O-N 3.49Å; I173-W177 VanDerWaalsContact O-N 3.08Å; L174-W177 HydrophobicContact CD1-CE3 4.14Å; L174-W177 HydrophobicContact CD1-CZ3 4.41Å; L174-W177 PolarHBondContact O-N 3.23Å; I175-W177 VanDerWaalsContact C-N 3.33Å; I175-W177 PolarHBondContact O-N 2.71Å; W177-V179 VanDerWaalsContact C-N 3.27Å; W177-V179 PolarHBondContact O-N 2.87Å; W177-Q180 WeakPolarHBondContact O-CA 3.43Å; W177-Q180 VanDerWaalsContact O-CB 3.28Å; W177-Q180 WeakPolarHBondContact O-CB 3.33Å; W177-Q180 PolarHBondContact O-N 3.09Å; W177-V181 HydrophobicContact CD2-CG2 4Å; W177-V181 HydrophobicContact CE3-CG2 4.22Å; W177-V181 HydrophobicContact CH2-CG2 3.87Å; W177-V181 HydrophobicContact CZ2-CG2 3.62Å; W177-V181 HydrophobicContact CZ3-CG2 4.17Å; W177-V181 PolarHBondContact O-N 3.29Å; W177-Q214 HydrophobicContact CH2-CG 4.11Å; W177-Q214 HydrophobicContact CZ3-CG 3.96Å; W177-V218 HydrophobicContact CH2-CG1 3.38Å; W177-V218 HydrophobicContact CZ3-CG1 3.62Å; W177-V241 HydrophobicContact CH2-CG1 4.27Å; W177-V241 HydrophobicContact CZ2-CG1 4.38Å; W177-V241 HydrophobicContact CZ2-CG2 4.4Å; W177-T242 HydrophobicContact CH2-CG2 4.17Å |
| 178 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.4 | -32.4 | 176.7 | -74.7 | 173.7 | 0 | 0 | 0 | 112.4 | L174 I175 Q180 V181 N182 M192 T195 I199 M221 | L174-L178 HydrophobicContact CD1-CD1 4.29Å; L174-L178 HydrophobicContact CD1-CG 4.36Å; L174-L178 HydrophobicContact CD2-CD1 4.38Å; L174-L178 HydrophobicContact CG-CD1 3.94Å; L174-L178 HydrophobicContact CG-CG 4.38Å; L174-L178 WeakPolarHBondContact O-CB 3.48Å; L174-L178 WeakPolarHBondContact O-CG 3.46Å; L174-L178 PolarHBondContact O-N 3.26Å; I175-L178 HydrophobicContact CD1-CD1 4.17Å; I175-L178 PolarHBondContact O-N 3.2Å; L178-Q180 PolarHBondContact O-N 3.27Å; L178-V181 PolarHBondContact O-N 3.4Å; L178-N182 WeakPolarHBondContact O-CB 3.34Å; L178-N182 PolarHBondContact O-N 3.11Å; L178-M192 HydrophobicContact CB-CE 3.87Å; L178-M192 HydrophobicContact CB-SD 4.42Å; L178-T195 HydrophobicContact CD1-CG2 3.98Å; L178-I199 HydrophobicContact CD1-CD1 3.55Å; L178-M221 HydrophobicContact CB-CE 3.81Å; L178-M221 HydrophobicContact CD2-CB 4.49Å; L178-M221 HydrophobicContact CD2-CE 3.82Å; L178-M221 HydrophobicContact CD2-SD 4.25Å; L178-M221 HydrophobicContact CG-CE 4.31Å; L178-M221 WeakPolarHBondContact O-CE 3.41Å |
| 179 | V | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.8 | -38.2 | 171 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | I175 D176 W177 N182 L183 M192 M300 A368 V369 K372 | I175-V179 WeakPolarHBondContact O-CG2 3.24Å; I175-V179 PolarHBondContact O-N 2.89Å; D176-V179 WeakPolarHBondContact O-CB 3.27Å; D176-V179 PolarHBondContact O-N 3.12Å; W177-V179 VanDerWaalsContact C-N 3.27Å; W177-V179 PolarHBondContact O-N 2.87Å; V179-N182 PolarHBondContact O-N 3.35Å; V179-L183 HydrophobicContact CG1-CD1 4.49Å; V179-L183 VanDerWaalsContact O-CG 3.31Å; V179-L183 WeakPolarHBondContact O-CG 3.39Å; V179-L183 PolarHBondContact O-N 3.18Å; V179-L183 VanDerWaalsContact O-N 3.09Å; V179-M192 HydrophobicContact CG2-CE 3.67Å; V179-M192 HydrophobicContact CG2-SD 4.24Å; V179-M300 HydrophobicContact CG2-CE 4.28Å; V179-A368 HydrophobicContact CB-CB 4Å; V179-A368 HydrophobicContact CG1-CB 3.88Å; V179-V369 HydrophobicContact CG1-CG2 4.26Å; V179-V369 HydrophobicContact CG2-CG2 3.98Å; V179-K372 HydrophobicContact CG1-CD 4.49Å |
| 180 | Q | 98.2 | Very high | 98 | Very high | 72 Ų | 72 | 41.8 Ų | 41.8 | 34% | 0.336 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -68.5 | -39.8 | 175.9 | -54.6 | 175.1 | 41.1 | 0 | 0 | 111.6 | D176 W177 L178 L183 K184 A368 | D176-Q180 PolarHBondContact O-N 2.86Å; D176-Q180 PolarHBondContact OD2-NE2 3.18Å; W177-Q180 WeakPolarHBondContact O-CA 3.43Å; W177-Q180 VanDerWaalsContact O-CB 3.28Å; W177-Q180 WeakPolarHBondContact O-CB 3.33Å; W177-Q180 PolarHBondContact O-N 3.09Å; L178-Q180 PolarHBondContact O-N 3.27Å; Q180-L183 PolarHBondContact O-N 3.38Å; Q180-K184 WeakPolarHBondContact O-CB 3.49Å; Q180-K184 PolarHBondContact O-N 2.9Å; Q180-A368 HydrophobicContact CG-CB 3.81Å |
| 181 | V | 98.3 | Very high | 98 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.2 | -45.9 | 174.1 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | W177 L178 L183 K184 F185 M221 V241 | W177-V181 HydrophobicContact CD2-CG2 4Å; W177-V181 HydrophobicContact CE3-CG2 4.22Å; W177-V181 HydrophobicContact CH2-CG2 3.87Å; W177-V181 HydrophobicContact CZ2-CG2 3.62Å; W177-V181 HydrophobicContact CZ3-CG2 4.17Å; W177-V181 PolarHBondContact O-N 3.29Å; L178-V181 PolarHBondContact O-N 3.4Å; V181-L183 VanDerWaalsContact C-N 3.29Å; V181-L183 PolarHBondContact O-N 2.94Å; V181-K184 PolarHBondContact O-N 3.33Å; V181-K184 VanDerWaalsContact O-N 3.09Å; V181-F185 HydrophobicContact CG1-CD2 3.69Å; V181-F185 HydrophobicContact CG1-CE2 3.6Å; V181-F185 HydrophobicContact CG1-CZ 4.43Å; V181-F185 PolarHBondContact O-N 2.88Å; V181-M221 HydrophobicContact CB-SD 4.15Å; V181-M221 HydrophobicContact CG1-SD 3.66Å; V181-V241 HydrophobicContact CG1-CG1 4.16Å; V181-V241 HydrophobicContact CG1-CG2 4.09Å; V181-V241 HydrophobicContact CG2-CG1 4.47Å; V181-V241 HydrophobicContact CG2-CG2 3.82Å |
| 182 | N | 98.3 | Very high | 98 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -54.8 | -44.2 | 175.3 | 173.7 | -92.4 | 0 | 0 | 0 | 111.5 | L178 V179 R186 L187 L188 M192 M221 | L178-N182 WeakPolarHBondContact O-CB 3.34Å; L178-N182 PolarHBondContact O-N 3.11Å; V179-N182 PolarHBondContact O-N 3.35Å; N182-R186 WeakPolarHBondContact O-CA 3.35Å; N182-R186 PolarHBondContact O-N 3.16Å; N182-L187 WeakPolarHBondContact ND2-CB 3.43Å; N182-L187 PolarHBondContact O-N 2.96Å; N182-L188 PolarHBondContact ND2-O 2.81Å; N182-L188 VanDerWaalsContact ND2-O 3.11Å; N182-M192 HydrophobicContact CB-SD 3.95Å; N182-M221 HydrophobicContact CB-CE 4.16Å |
| 183 | L | 97.1 | Very high | 98 | Very high | 79 Ų | 79 | 38.9 Ų | 38.9 | 41% | 0.414 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -66.8 | -40.5 | 175.8 | -69.1 | 172.7 | 0 | 0 | 0 | 113 | V179 Q180 V181 R186 K372 | V179-L183 HydrophobicContact CG1-CD1 4.49Å; V179-L183 VanDerWaalsContact O-CG 3.31Å; V179-L183 WeakPolarHBondContact O-CG 3.39Å; V179-L183 PolarHBondContact O-N 3.18Å; V179-L183 VanDerWaalsContact O-N 3.09Å; Q180-L183 PolarHBondContact O-N 3.38Å; V181-L183 VanDerWaalsContact C-N 3.29Å; V181-L183 PolarHBondContact O-N 2.94Å; L183-R186 PolarHBondContact O-N 3.09Å; L183-K372 HydrophobicContact CD1-CB 4.1Å; L183-K372 HydrophobicContact CD1-CD 4.42Å; L183-K372 HydrophobicContact CD1-CG 4.31Å; L183-K372 HydrophobicContact CD2-CD 3.94Å; L183-K372 HydrophobicContact CD2-CG 3.99Å; L183-K372 HydrophobicContact CG-CD 4.48Å |
| 184 | K | 96.7 | Very high | 98 | Very high | 73 Ų | 73 | 35 Ų | 35 | 32% | 0.317 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 179.6 | -173.6 | 168.1 | -174 | 161.4 | 0 | 111.5 | G37 Q180 V181 R186 | G37-K184 PolarHBondContact O-NZ 3.19Å; Q180-K184 WeakPolarHBondContact O-CB 3.49Å; Q180-K184 PolarHBondContact O-N 2.9Å; V181-K184 PolarHBondContact O-N 3.33Å; V181-K184 VanDerWaalsContact O-N 3.09Å; K184-R186 VanDerWaalsContact C-N 3.31Å |
| 185 | F | 97.3 | Very high | 98 | Very high | 44 Ų | 44 | 34.4 Ų | 34.4 | 19% | 0.193 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -81.6 | -8.1 | 176.6 | -66.6 | -25.6 | 0 | 0 | 0 | 113.9 | V181 L187 P233 D237 F238 V241 | V181-F185 HydrophobicContact CG1-CD2 3.69Å; V181-F185 HydrophobicContact CG1-CE2 3.6Å; V181-F185 HydrophobicContact CG1-CZ 4.43Å; V181-F185 PolarHBondContact O-N 2.88Å; F185-L187 HydrophobicContact CB-CD1 4.14Å; F185-L187 HydrophobicContact CB-CD2 3.99Å; F185-L187 HydrophobicContact CB-CG 3.69Å; F185-L187 HydrophobicContact CD2-CD1 4.36Å; F185-L187 PolarHBondContact O-N 3.41Å; F185-P233 HydrophobicContact CB-CG 4.21Å; F185-P233 HydrophobicContact CD2-CG 4.02Å; F185-P233 HydrophobicContact CG-CG 4.09Å; F185-D237 HydrophobicContact CE1-CB 4.21Å; F185-D237 HydrophobicContact CZ-CB 3.95Å; F185-F238 HydrophobicContact CD2-CE1 4.33Å; F185-F238 HydrophobicContact CD2-CZ 4.31Å; F185-F238 HydrophobicContact CE2-CD1 4.14Å; F185-F238 AromaticContact CE2-CE1 3.91Å; F185-F238 HydrophobicContact CE2-CE1 3.91Å; F185-F238 HydrophobicContact CE2-CZ 4.14Å; F185-V241 HydrophobicContact CE2-CG1 4.38Å; F185-V241 HydrophobicContact CZ-CB 4.02Å; F185-V241 HydrophobicContact CZ-CG1 4.27Å; F185-V241 HydrophobicContact CZ-CG2 4.42Å |
| 186 | R | 97.3 | Very high | 98 | Very high | 225 Ų | 225 | 34.9 Ų | 34.9 | 85% | 0.849 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 36.8 | -178.7 | -52.3 | 177.4 | 179 | 179.9 | 0.6 | 112.8 | N182 L183 K184 | N182-R186 WeakPolarHBondContact O-CA 3.35Å; N182-R186 PolarHBondContact O-N 3.16Å; L183-R186 PolarHBondContact O-N 3.09Å; K184-R186 VanDerWaalsContact C-N 3.31Å |
| 187 | L | 98.2 | Very high | 98 | Very high | 18 Ų | 18 | 34.4 Ų | 34.4 | 9% | 0.094 | 15% | 0.154 | C | C | . | . | trans | -68.6 | 160.2 | 179.1 | -57.9 | 175.6 | 0 | 0 | 0 | 111 | N182 F185 T191 M221 E229 P233 | N182-L187 WeakPolarHBondContact ND2-CB 3.43Å; N182-L187 PolarHBondContact O-N 2.96Å; F185-L187 HydrophobicContact CB-CD1 4.14Å; F185-L187 HydrophobicContact CB-CD2 3.99Å; F185-L187 HydrophobicContact CB-CG 3.69Å; F185-L187 HydrophobicContact CD2-CD1 4.36Å; F185-L187 PolarHBondContact O-N 3.41Å; L187-T191 HydrophobicContact CB-CG2 4.29Å; L187-T191 HydrophobicContact CD1-CG2 4.08Å; L187-M221 HydrophobicContact CD1-CG 3.98Å; L187-M221 HydrophobicContact CD1-SD 3.83Å; L187-E229 WeakPolarHBondContact CA-OE1 3.45Å; L187-E229 WeakPolarHBondContact CB-OE1 3.36Å; L187-E229 HydrophobicContact CD2-CG 3.93Å; L187-P233 HydrophobicContact CD2-CG 3.91Å | ||
| 188 | L | 97.9 | Very high | 98 | Very high | 67 Ų | 67 | 32 Ų | 32 | 35% | 0.351 | 15% | 0.145 | S | C | . | . | trans | -62 | 160.4 | 172.8 | -65 | 173.6 | 0 | 0 | 0 | 111.3 | N182 E190 E229 | N182-L188 PolarHBondContact ND2-O 2.81Å; N182-L188 VanDerWaalsContact ND2-O 3.11Å; L188-E190 VanDerWaalsContact C-N 3.31Å; L188-E190 HydrophobicContact CB-CB 4.46Å; L188-E229 WeakPolarHBondContact CB-OE1 3.43Å; L188-E229 PolarHBondContact N-OE1 3.41Å | ||
| 189 | Q | 97.4 | Very high | 98 | Very high | 24 Ų | 24 | 32 Ų | 32 | 11% | 0.112 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -72.3 | -34.5 | 175.9 | -173.8 | 57.3 | 43.6 | 0 | 0 | 110.8 | T191 M192 Y193 L272 E297 | Q189-T191 VanDerWaalsContact C-N 3.31Å; Q189-T191 PolarHBondContact O-N 3.43Å; Q189-M192 WeakPolarHBondContact O-CB 3.45Å; Q189-M192 PolarHBondContact O-N 3.47Å; Q189-M192 VanDerWaalsContact O-N 3.15Å; Q189-Y193 HydrophobicContact CG-CD2 3.85Å; Q189-Y193 HydrophobicContact CG-CE2 3.53Å; Q189-Y193 VanDerWaalsContact O-CD2 3.31Å; Q189-Y193 WeakPolarHBondContact O-CD2 3.46Å; Q189-Y193 PolarHBondContact O-N 3.28Å; Q189-Y193 VanDerWaalsContact O-N 3.11Å; Q189-L272 HydrophobicContact CB-CD2 3.91Å; Q189-L272 HydrophobicContact CG-CD2 3.95Å; Q189-E297 VanDerWaalsContact CD-CD 3.43Å; Q189-E297 PolarHBondContact NE2-OE1 3.35Å; Q189-E297 PolarHBondContact OE1-OE1 2.81Å |
| 190 | E | 97.6 | Very high | 97.9 | Very high | 29 Ų | 29 | 32.5 Ų | 32.5 | 14% | 0.136 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -53.7 | -48.7 | 173.3 | -69.8 | 85.4 | 164.5 | 0 | 0 | 110.9 | L188 M192 Y193 M194 E228 L270 L272 R276 | L188-E190 VanDerWaalsContact C-N 3.31Å; L188-E190 HydrophobicContact CB-CB 4.46Å; E190-M192 VanDerWaalsContact C-N 3.28Å; E190-M192 PolarHBondContact O-N 3.2Å; E190-Y193 PolarHBondContact O-N 3.08Å; E190-Y193 VanDerWaalsContact O-N 3.14Å; E190-M194 WeakPolarHBondContact O-CB 3.34Å; E190-M194 PolarHBondContact O-N 3.48Å; E190-E228 HydrophobicContact CB-CG 4.33Å; E190-L270 HydrophobicContact CB-CD1 3.66Å; E190-L270 HydrophobicContact CG-CD1 3.87Å; E190-L272 HydrophobicContact CG-CD2 4.2Å; E190-R276 IonicContact OE1-CZ 2.64Å; E190-R276 IonicContact OE1-NH1 3.38Å; E190-R276 PolarHBondContact OE1-NH1 2.86Å; E190-R276 IonicContact OE1-NH2 2.55Å; E190-R276 PolarHBondContact OE1-NH2 3.12Å |
| 191 | T | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55.2 | -41.2 | 175.9 | -49.9 | 0 | 0 | 0 | 0 | 112.2 | L187 Q189 T195 A224 E228 E229 | L187-T191 HydrophobicContact CB-CG2 4.29Å; L187-T191 HydrophobicContact CD1-CG2 4.08Å; Q189-T191 VanDerWaalsContact C-N 3.31Å; Q189-T191 PolarHBondContact O-N 3.43Å; T191-T195 WeakPolarHBondContact O-CB 3.46Å; T191-T195 PolarHBondContact O-N 3.37Å; T191-T195 PolarHBondContact O-OG1 3.35Å; T191-A224 HydrophobicContact CG2-CB 3.95Å; T191-A224 WeakPolarHBondContact O-CB 3.47Å; T191-E228 WeakPolarHBondContact OG1-CB 3.45Å; T191-E229 WeakPolarHBondContact CB-OE1 3.44Å; T191-E229 PolarHBondContact OG1-OE1 3.43Å |
| 192 | M | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.7 | -46.6 | 177 | -171.9 | 65.8 | -153.7 | 0 | 0 | 112.1 | I175 L178 V179 N182 Q189 E190 M194 T195 V196 M221 M300 | I175-M192 HydrophobicContact CG2-CE 3.95Å; L178-M192 HydrophobicContact CB-CE 3.87Å; L178-M192 HydrophobicContact CB-SD 4.42Å; V179-M192 HydrophobicContact CG2-CE 3.67Å; V179-M192 HydrophobicContact CG2-SD 4.24Å; N182-M192 HydrophobicContact CB-SD 3.95Å; Q189-M192 WeakPolarHBondContact O-CB 3.45Å; Q189-M192 PolarHBondContact O-N 3.47Å; Q189-M192 VanDerWaalsContact O-N 3.15Å; E190-M192 VanDerWaalsContact C-N 3.28Å; E190-M192 PolarHBondContact O-N 3.2Å; M192-M194 VanDerWaalsContact C-N 3.33Å; M192-M194 PolarHBondContact O-N 3.18Å; M192-T195 WeakPolarHBondContact O-CB 3.48Å; M192-T195 PolarHBondContact O-N 2.92Å; M192-V196 HydrophobicContact CE-CG2 3.88Å; M192-V196 WeakPolarHBondContact O-CG2 3.13Å; M192-V196 PolarHBondContact O-N 3.05Å; M192-V196 VanDerWaalsContact O-N 3.12Å; M192-M221 HydrophobicContact SD-CE 3.79Å; M192-M300 HydrophobicContact CG-CE 3.93Å; M192-M300 HydrophobicContact CG-SD 3.9Å |
| 193 | Y | 98.1 | Very high | 97.9 | Very high | 10 Ų | 10 | 29.6 Ų | 29.6 | 4% | 0.039 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.9 | -40.1 | 178.1 | -77.7 | -67 | 0 | 0 | 0 | 111.8 | Q189 E190 V196 G197 P271 L272 L296 E297 M300 | Q189-Y193 HydrophobicContact CG-CD2 3.85Å; Q189-Y193 HydrophobicContact CG-CE2 3.53Å; Q189-Y193 VanDerWaalsContact O-CD2 3.31Å; Q189-Y193 WeakPolarHBondContact O-CD2 3.46Å; Q189-Y193 PolarHBondContact O-N 3.28Å; Q189-Y193 VanDerWaalsContact O-N 3.11Å; E190-Y193 PolarHBondContact O-N 3.08Å; E190-Y193 VanDerWaalsContact O-N 3.14Å; Y193-V196 PolarHBondContact O-N 3.46Å; Y193-G197 PolarHBondContact O-N 3.02Å; Y193-P271 HydrophobicContact CD1-CG 4Å; Y193-P271 HydrophobicContact CE1-CB 4.45Å; Y193-P271 HydrophobicContact CE1-CG 4.19Å; Y193-L272 HydrophobicContact CD2-CB 4.23Å; Y193-L272 HydrophobicContact CE2-CB 4.15Å; Y193-L296 HydrophobicContact CE1-CG 4.38Å; Y193-L296 VanDerWaalsContact OH-CG 3.29Å; Y193-L296 WeakPolarHBondContact OH-CG 3.19Å; Y193-E297 HydrophobicContact CE2-CG 4.46Å; Y193-E297 WeakPolarHBondContact OH-CG 3.38Å; Y193-E297 PolarHBondContact OH-N 3.48Å; Y193-M300 HydrophobicContact CD1-CG 3.92Å; Y193-M300 HydrophobicContact CD1-SD 3.57Å; Y193-M300 VanDerWaalsContact CD1-SD 3.57Å; Y193-M300 HydrophobicContact CE1-CG 3.64Å; Y193-M300 HydrophobicContact CE1-SD 3.54Å; Y193-M300 VanDerWaalsContact CE1-SD 3.54Å; Y193-M300 HydrophobicContact CG-SD 4.25Å |
| 194 | M | 98.3 | Very high | 97.8 | Very high | 7 Ų | 7 | 27.2 Ų | 27.2 | 3% | 0.034 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.6 | -42.1 | 174.9 | -178.1 | 171.6 | -68.5 | 0 | 0 | 111.5 | E190 M192 V196 G197 I198 A224 Y227 E228 L270 | E190-M194 WeakPolarHBondContact O-CB 3.34Å; E190-M194 PolarHBondContact O-N 3.48Å; M192-M194 VanDerWaalsContact C-N 3.33Å; M192-M194 PolarHBondContact O-N 3.18Å; M194-V196 VanDerWaalsContact C-N 3.34Å; M194-V196 PolarHBondContact O-N 2.95Å; M194-G197 PolarHBondContact O-N 3.18Å; M194-I198 HydrophobicContact CG-CD1 3.83Å; M194-I198 HydrophobicContact CG-CG1 4.3Å; M194-I198 VanDerWaalsContact O-CG1 3.31Å; M194-I198 WeakPolarHBondContact O-CG1 3.22Å; M194-I198 PolarHBondContact O-N 3.32Å; M194-A224 HydrophobicContact CB-CB 3.93Å; M194-A224 HydrophobicContact CG-CB 3.78Å; M194-A224 HydrophobicContact SD-CB 4.06Å; M194-Y227 HydrophobicContact CE-CD1 3.44Å; M194-Y227 VanDerWaalsContact CE-CD1 3.44Å; M194-Y227 HydrophobicContact CE-CE1 3.73Å; M194-Y227 HydrophobicContact CE-CG 4.18Å; M194-Y227 HydrophobicContact SD-CD1 3.73Å; M194-Y227 HydrophobicContact SD-CG 3.89Å; M194-E228 HydrophobicContact CE-CG 3.85Å; M194-E228 WeakPolarHBondContact CE-OE1 3.45Å; M194-E228 HydrophobicContact SD-CG 4.01Å; M194-L270 HydrophobicContact CB-CD2 4.16Å |
| 195 | T | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -54.3 | -50.9 | 175.1 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | L178 T191 M192 G197 I198 I199 A220 M221 A224 | L178-T195 HydrophobicContact CD1-CG2 3.98Å; T191-T195 WeakPolarHBondContact O-CB 3.46Å; T191-T195 PolarHBondContact O-N 3.37Å; T191-T195 PolarHBondContact O-OG1 3.35Å; M192-T195 WeakPolarHBondContact O-CB 3.48Å; M192-T195 PolarHBondContact O-N 2.92Å; T195-G197 PolarHBondContact O-N 3.12Å; T195-I198 PolarHBondContact O-N 2.92Å; T195-I199 HydrophobicContact CG2-CD1 3.84Å; T195-I199 VanDerWaalsContact O-CG1 3.28Å; T195-I199 WeakPolarHBondContact O-CG1 3.1Å; T195-I199 PolarHBondContact O-N 3.16Å; T195-A220 HydrophobicContact CG2-CB 4.22Å; T195-M221 HydrophobicContact CG2-CB 3.76Å; T195-M221 HydrophobicContact CG2-CE 4.18Å; T195-M221 HydrophobicContact CG2-CG 4.46Å; T195-M221 WeakPolarHBondContact OG1-CA 3.23Å; T195-A224 WeakPolarHBondContact OG1-CB 3.18Å |
| 196 | V | 98.3 | Very high | 97.7 | Very high | 10 Ų | 10 | 29.1 Ų | 29.1 | 6% | 0.061 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 179.3 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | I175 M192 Y193 M194 I198 I199 D200 M300 | I175-V196 HydrophobicContact CD1-CG2 4.01Å; I175-V196 HydrophobicContact CG2-CG2 4.11Å; M192-V196 HydrophobicContact CE-CG2 3.88Å; M192-V196 WeakPolarHBondContact O-CG2 3.13Å; M192-V196 PolarHBondContact O-N 3.05Å; M192-V196 VanDerWaalsContact O-N 3.12Å; Y193-V196 PolarHBondContact O-N 3.46Å; M194-V196 VanDerWaalsContact C-N 3.34Å; M194-V196 PolarHBondContact O-N 2.95Å; V196-I198 VanDerWaalsContact C-N 3.33Å; V196-I198 PolarHBondContact O-N 3.43Å; V196-I199 PolarHBondContact O-N 3.48Å; V196-D200 PolarHBondContact O-N 3.37Å; V196-M300 HydrophobicContact CG2-CB 4.24Å; V196-M300 HydrophobicContact CG2-CG 4.37Å; V196-M300 HydrophobicContact CG2-SD 4.04Å |
| 197 | G | 97.4 | Very high | 97.6 | Very high | 6 Ų | 6 | 22.4 Ų | 22.4 | 6% | 0.062 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61 | -38.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y193 M194 T195 R201 | Y193-G197 PolarHBondContact O-N 3.02Å; M194-G197 PolarHBondContact O-N 3.18Å; T195-G197 PolarHBondContact O-N 3.12Å; G197-R201 WeakPolarHBondContact O-CB 3.46Å; G197-R201 WeakPolarHBondContact O-CG 3.45Å; G197-R201 PolarHBondContact O-N 2.79Å; G197-R201 VanDerWaalsContact O-N 3.15Å |
| 198 | I | 98.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.015 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.9 | -46.9 | 174.5 | -70.4 | 169.5 | 0 | 0 | 0 | 110.3 | M194 T195 V196 D200 F202 A220 L223 A224 I258 L262 L266 | M194-I198 HydrophobicContact CG-CD1 3.83Å; M194-I198 HydrophobicContact CG-CG1 4.3Å; M194-I198 VanDerWaalsContact O-CG1 3.31Å; M194-I198 WeakPolarHBondContact O-CG1 3.22Å; M194-I198 PolarHBondContact O-N 3.32Å; T195-I198 PolarHBondContact O-N 2.92Å; V196-I198 VanDerWaalsContact C-N 3.33Å; V196-I198 PolarHBondContact O-N 3.43Å; I198-D200 PolarHBondContact O-N 2.97Å; I198-F202 WeakPolarHBondContact O-CB 3.5Å; I198-F202 PolarHBondContact O-N 2.58Å; I198-A220 HydrophobicContact CB-CB 4.09Å; I198-A220 HydrophobicContact CG2-CB 3.58Å; I198-L223 HydrophobicContact CD1-CB 4.19Å; I198-A224 HydrophobicContact CD1-CB 4.27Å; I198-I258 HydrophobicContact CG2-CG2 3.62Å; I198-L262 HydrophobicContact CB-CD1 4.38Å; I198-L262 HydrophobicContact CG1-CD1 4.35Å; I198-L262 HydrophobicContact CG2-CD1 3.89Å; I198-L266 HydrophobicContact CD1-CD2 4.01Å; I198-L266 HydrophobicContact CG1-CD2 4.08Å |
| 199 | I | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.7 | -51.3 | 179.5 | -70.1 | 165.9 | 0 | 0 | 0 | 110.4 | L174 I175 L178 T195 V196 F202 L203 A220 | L174-I199 HydrophobicContact CD2-CD1 4.12Å; I175-I199 HydrophobicContact CD1-CD1 3.77Å; L178-I199 HydrophobicContact CD1-CD1 3.55Å; T195-I199 HydrophobicContact CG2-CD1 3.84Å; T195-I199 VanDerWaalsContact O-CG1 3.28Å; T195-I199 WeakPolarHBondContact O-CG1 3.1Å; T195-I199 PolarHBondContact O-N 3.16Å; V196-I199 PolarHBondContact O-N 3.48Å; I199-F202 PolarHBondContact O-N 2.96Å; I199-L203 HydrophobicContact CG2-CD1 3.6Å; I199-L203 HydrophobicContact CG2-CG 4.28Å; I199-L203 WeakPolarHBondContact O-CB 3.32Å; I199-L203 VanDerWaalsContact O-CG 3.26Å; I199-L203 WeakPolarHBondContact O-CG 3.35Å; I199-L203 PolarHBondContact O-N 3.07Å; I199-A220 HydrophobicContact CD1-CB 4.26Å; I199-A220 HydrophobicContact CG1-CB 3.58Å |
| 200 | D | 97.9 | Very high | 97.2 | Very high | 9 Ų | 9 | 25.5 Ų | 25.5 | 5% | 0.048 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.4 | -43.9 | -174 | -66.7 | -22.1 | 0 | 0 | 0 | 111.9 | V156 Y160 R171 V196 I198 F202 L203 Q204 | V156-D200 HydrophobicContact CG1-CB 4.02Å; V156-D200 HydrophobicContact CG2-CB 3.84Å; Y160-D200 HydrophobicContact CE1-CB 4.22Å; Y160-D200 PolarHBondContact OH-OD1 3.16Å; R171-D200 IonicContact CZ-OD1 2.65Å; R171-D200 VanDerWaalsContact CZ-OD1 3.31Å; R171-D200 IonicContact CZ-OD2 3.79Å; R171-D200 IonicContact NE-OD1 3.25Å; R171-D200 PolarHBondContact NE-OD1 2.87Å; R171-D200 IonicContact NE-OD2 3.14Å; R171-D200 VanDerWaalsContact NH2-CG 3.31Å; R171-D200 IonicContact NH2-OD1 2.98Å; R171-D200 PolarHBondContact NH2-OD1 3.12Å; R171-D200 VanDerWaalsContact NH2-OD1 3.1Å; R171-D200 IonicContact NH2-OD2 2.74Å; R171-D200 PolarHBondContact NH2-OD2 2.88Å; V196-D200 PolarHBondContact O-N 3.37Å; I198-D200 PolarHBondContact O-N 2.97Å; D200-F202 VanDerWaalsContact C-N 3.31Å; D200-F202 PolarHBondContact O-N 3.05Å; D200-L203 PolarHBondContact O-N 3.44Å; D200-Q204 WeakPolarHBondContact O-CG 3.44Å; D200-Q204 PolarHBondContact O-N 3.48Å; D200-Q204 VanDerWaalsContact O-N 3.09Å |
| 201 | R | 97.6 | Very high | 97.1 | Very high | 18 Ų | 18 | 32.1 Ų | 32.1 | 7% | 0.068 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.1 | -31.1 | 176.6 | -73.7 | 179.3 | 58.8 | -141.1 | -3.3 | 113.1 | V156 G197 Q204 L262 Q265 | V156-R201 HydrophobicContact CG2-CG 3.89Å; G197-R201 WeakPolarHBondContact O-CB 3.46Å; G197-R201 WeakPolarHBondContact O-CG 3.45Å; G197-R201 PolarHBondContact O-N 2.79Å; G197-R201 VanDerWaalsContact O-N 3.15Å; R201-Q204 VanDerWaalsContact O-CG 3.26Å; R201-Q204 WeakPolarHBondContact O-CG 3.1Å; R201-L262 HydrophobicContact CB-CD2 3.62Å; R201-Q265 PolarHBondContact NH1-O 2.89Å; R201-Q265 PolarHBondContact NH2-O 2.94Å |
| 202 | F | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -72.2 | -50.1 | 175.1 | 174.6 | -103.8 | 0 | 0 | 0 | 110.9 | I198 I199 D200 Q204 D205 H206 V208 V216 M254 T257 I258 V261 | I198-F202 WeakPolarHBondContact O-CB 3.5Å; I198-F202 PolarHBondContact O-N 2.58Å; I199-F202 PolarHBondContact O-N 2.96Å; D200-F202 VanDerWaalsContact C-N 3.31Å; D200-F202 PolarHBondContact O-N 3.05Å; F202-Q204 VanDerWaalsContact C-N 3.31Å; F202-Q204 PolarHBondContact O-N 2.92Å; F202-D205 PolarHBondContact O-N 3.16Å; F202-H206 HydrophobicContact CD2-CB 4.17Å; F202-H206 HydrophobicContact CE1-CB 4.37Å; F202-H206 HydrophobicContact CE2-CB 3.79Å; F202-H206 AromaticContact CE2-CG 3.8Å; F202-H206 HydrophobicContact CZ-CB 3.91Å; F202-H206 AromaticContact CZ-CG 3.63Å; F202-H206 AromaticContact CZ-ND1 3.57Å; F202-H206 WeakPolarHBondContact O-CB 3.31Å; F202-H206 PolarHBondContact O-N 3.27Å; F202-V208 HydrophobicContact CE1-CG1 3.79Å; F202-V208 HydrophobicContact CZ-CG1 4.29Å; F202-V216 HydrophobicContact CD1-CG1 3.63Å; F202-V216 HydrophobicContact CD1-CG2 4.27Å; F202-V216 HydrophobicContact CE1-CG1 3.93Å; F202-V216 HydrophobicContact CE1-CG2 3.69Å; F202-M254 HydrophobicContact CE1-SD 4.43Å; F202-M254 HydrophobicContact CZ-SD 4.14Å; F202-T257 HydrophobicContact CE2-CG2 4.15Å; F202-T257 HydrophobicContact CZ-CG2 4.32Å; F202-I258 HydrophobicContact CD1-CG1 4.32Å; F202-I258 HydrophobicContact CD2-CB 4.19Å; F202-I258 HydrophobicContact CD2-CG1 3.76Å; F202-I258 HydrophobicContact CD2-CG2 4.42Å; F202-I258 HydrophobicContact CE1-CG1 4.37Å; F202-I258 HydrophobicContact CE2-CB 4.41Å; F202-I258 HydrophobicContact CE2-CG1 3.81Å; F202-I258 HydrophobicContact CG-CG1 4.02Å; F202-I258 HydrophobicContact CZ-CG1 4.12Å; F202-V261 HydrophobicContact CD2-CB 3.87Å; F202-V261 HydrophobicContact CD2-CG1 3.86Å; F202-V261 HydrophobicContact CD2-CG2 4.17Å; F202-V261 HydrophobicContact CE2-CB 4.06Å; F202-V261 HydrophobicContact CE2-CG1 4.34Å; F202-V261 HydrophobicContact CE2-CG2 3.84Å |
| 203 | L | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.5 | -25 | -174.7 | -68.1 | 176.7 | 0 | 0 | 0 | 113.9 | Y160 Q164 I199 D200 D205 V208 L213 V216 | Y160-L203 HydrophobicContact CD2-CB 4.29Å; Y160-L203 HydrophobicContact CE2-CB 3.48Å; Y160-L203 VanDerWaalsContact CE2-CB 3.48Å; Q164-L203 PolarHBondContact NE2-O 3.46Å; Q164-L203 VanDerWaalsContact NE2-O 3.08Å; I199-L203 HydrophobicContact CG2-CD1 3.6Å; I199-L203 HydrophobicContact CG2-CG 4.28Å; I199-L203 WeakPolarHBondContact O-CB 3.32Å; I199-L203 VanDerWaalsContact O-CG 3.26Å; I199-L203 WeakPolarHBondContact O-CG 3.35Å; I199-L203 PolarHBondContact O-N 3.07Å; D200-L203 PolarHBondContact O-N 3.44Å; L203-D205 VanDerWaalsContact C-N 3.3Å; L203-D205 PolarHBondContact O-N 3.38Å; L203-V208 HydrophobicContact CD2-CB 4.5Å; L203-V208 HydrophobicContact CD2-CG1 4.31Å; L203-V208 HydrophobicContact CD2-CG2 3.49Å; L203-V208 VanDerWaalsContact CD2-CG2 3.49Å; L203-L213 HydrophobicContact CD1-CD1 3.98Å; L203-V216 HydrophobicContact CD2-CG1 4.49Å |
| 204 | Q | 96.3 | Very high | 97 | Very high | 29 Ų | 29 | 38.9 Ų | 38.9 | 14% | 0.136 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.2 | -29 | 176.4 | 67.8 | 172.3 | 10.4 | 0 | 0 | 113.5 | V156 Y160 D200 R201 F202 | V156-Q204 VanDerWaalsContact CA-OE1 3.32Å; Y160-Q204 HydrophobicContact CD1-CB 4.17Å; Y160-Q204 VanDerWaalsContact CD2-CA 3.49Å; Y160-Q204 HydrophobicContact CD2-CB 3.84Å; Y160-Q204 HydrophobicContact CG-CB 3.61Å; D200-Q204 WeakPolarHBondContact O-CG 3.44Å; D200-Q204 PolarHBondContact O-N 3.48Å; D200-Q204 VanDerWaalsContact O-N 3.09Å; R201-Q204 VanDerWaalsContact O-CG 3.26Å; R201-Q204 WeakPolarHBondContact O-CG 3.1Å; F202-Q204 VanDerWaalsContact C-N 3.31Å; F202-Q204 PolarHBondContact O-N 2.92Å |
| 205 | D | 95.4 | Very high | 97 | Very high | 92 Ų | 92 | 39.1 Ų | 39.1 | 49% | 0.492 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -114.1 | -9.3 | -176.6 | -61.6 | -42.2 | 0 | 0 | 0 | 112.2 | K157 F202 L203 V261 | K157-D205 IonicContact NZ-OD1 3.58Å; K157-D205 PolarHBondContact NZ-OD1 3.16Å; F202-D205 PolarHBondContact O-N 3.16Å; L203-D205 VanDerWaalsContact C-N 3.3Å; L203-D205 PolarHBondContact O-N 3.38Å; D205-V261 HydrophobicContact CB-CG1 4.45Å |
| 206 | H | 96.3 | Very high | 97 | Very high | 64 Ų | 64 | 39.1 Ų | 39.1 | 30% | 0.296 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -136.5 | 90.9 | 177.8 | -169.5 | -64.4 | 0 | 0 | 0 | 111.5 | F202 V261 | F202-H206 HydrophobicContact CD2-CB 4.17Å; F202-H206 HydrophobicContact CE1-CB 4.37Å; F202-H206 HydrophobicContact CE2-CB 3.79Å; F202-H206 AromaticContact CE2-CG 3.8Å; F202-H206 HydrophobicContact CZ-CB 3.91Å; F202-H206 AromaticContact CZ-CG 3.63Å; F202-H206 AromaticContact CZ-ND1 3.57Å; F202-H206 WeakPolarHBondContact O-CB 3.31Å; F202-H206 PolarHBondContact O-N 3.27Å; H206-V261 HydrophobicContact CB-CG1 4.24Å; H206-V261 HydrophobicContact CB-CG2 4.18Å |
| 207 | P | 93.8 | Very high | 97 | Very high | 85 Ų | 85 | 38.6 Ų | 38.6 | 55% | 0.552 | 19% | 0.194 | S | C | * | . | trans | -58.4 | 140.1 | 173.2 | -22.9 | 33.8 | 0 | 0 | 0 | 111.4 | ||||
| 208 | V | 95 | Very high | 97.1 | Very high | 7 Ų | 7 | 38.3 Ų | 38.3 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | trans | -128.9 | 150.8 | 178.2 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | V166 F202 L203 V216 | V166-V208 HydrophobicContact CG2-CG2 4.11Å; F202-V208 HydrophobicContact CE1-CG1 3.79Å; F202-V208 HydrophobicContact CZ-CG1 4.29Å; L203-V208 HydrophobicContact CD2-CB 4.5Å; L203-V208 HydrophobicContact CD2-CG1 4.31Å; L203-V208 HydrophobicContact CD2-CG2 3.49Å; L203-V208 VanDerWaalsContact CD2-CG2 3.49Å; V208-V216 HydrophobicContact CG1-CG2 4.14Å; V208-V216 HydrophobicContact CG2-CG2 4.36Å | ||
| 209 | P | 95.9 | Very high | 97.1 | Very high | 59 Ų | 59 | 38.2 Ų | 38.2 | 38% | 0.383 | 19% | 0.19 | S | C | . | . | trans | -62.9 | 148.4 | 169.7 | -19.8 | 31.8 | 0 | 0 | 0 | 111.3 | E165 K211 Q212 | E165-P209 VanDerWaalsContact OE2-CA 3.23Å; E165-P209 WeakPolarHBondContact OE2-CA 3.48Å; P209-K211 PolarHBondContact O-N 3.16Å; P209-Q212 PolarHBondContact O-N 3.01Å | ||
| 210 | K | 94.9 | Very high | 97.1 | Very high | 107 Ų | 107 | 38.2 Ų | 38.2 | 47% | 0.465 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -53.9 | -32.7 | 179.3 | 70.8 | -173.8 | 168.5 | -161.9 | 0 | 113.7 | E165 M170 Q212 L213 | E165-K210 HydrophobicContact CG-CB 4.38Å; E165-K210 WeakPolarHBondContact OE1-CD 3.36Å; E165-K210 VanDerWaalsContact OE1-CE 3.23Å; E165-K210 WeakPolarHBondContact OE1-CE 3.13Å; E165-K210 VanDerWaalsContact OE1-CG 3.29Å; E165-K210 WeakPolarHBondContact OE1-CG 3.31Å; E165-K210 IonicContact OE1-NZ 2.71Å; E165-K210 PolarHBondContact OE2-N 3.49Å; M170-K210 HydrophobicContact CE-CD 4.49Å; M170-K210 HydrophobicContact SD-CB 4.14Å; K210-Q212 PolarHBondContact O-N 3.31Å; K210-L213 WeakPolarHBondContact O-CB 3.36Å; K210-L213 PolarHBondContact O-N 3.19Å |
| 211 | K | 95.2 | Very high | 97.2 | Very high | 168 Ų | 168 | 37.8 Ų | 37.8 | 73% | 0.73 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -68.1 | -19.2 | 179.7 | -64.5 | -175 | -179.2 | 179.8 | 0 | 113.2 | P209 Y246 | P209-K211 PolarHBondContact O-N 3.16Å; K211-Y246 PolarHBondContact O-OH 3.48Å |
| 212 | Q | 96.7 | Very high | 97.2 | Very high | 81 Ų | 81 | 37.8 Ų | 37.8 | 38% | 0.379 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -100.2 | -6.4 | 179.6 | -64.7 | -176.6 | 0.2 | 0 | 0 | 112.6 | P209 K210 Q214 L215 V216 | P209-Q212 PolarHBondContact O-N 3.01Å; K210-Q212 PolarHBondContact O-N 3.31Å; Q212-Q214 VanDerWaalsContact C-N 3.32Å; Q212-Q214 PolarHBondContact O-N 3.4Å; Q212-L215 WeakPolarHBondContact O-CB 3.49Å; Q212-L215 PolarHBondContact O-N 3.39Å; Q212-L215 VanDerWaalsContact O-N 3.07Å; Q212-V216 PolarHBondContact O-N 3.23Å |
| 213 | L | 98.1 | Very high | 97.3 | Very high | 12 Ų | 12 | 38.1 Ų | 38.1 | 6% | 0.063 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.7 | -40.8 | -175.9 | -178.9 | 60.6 | 0 | 0 | 0 | 112.6 | V166 M170 L174 L203 K210 V216 G217 | V166-L213 HydrophobicContact CG1-CD1 4.04Å; V166-L213 HydrophobicContact CG1-CD2 3.76Å; V166-L213 HydrophobicContact CG2-CB 4.43Å; V166-L213 HydrophobicContact CG2-CD1 4.3Å; V166-L213 HydrophobicContact CG2-CD2 4.26Å; M170-L213 HydrophobicContact CB-CD2 3.77Å; L174-L213 HydrophobicContact CD2-CD1 3.86Å; L174-L213 HydrophobicContact CD2-CG 3.96Å; L203-L213 HydrophobicContact CD1-CD1 3.98Å; K210-L213 WeakPolarHBondContact O-CB 3.36Å; K210-L213 PolarHBondContact O-N 3.19Å; L213-V216 PolarHBondContact O-N 2.71Å; L213-G217 PolarHBondContact O-N 3.21Å |
| 214 | Q | 98.4 | Very high | 97.3 | Very high | 59 Ų | 59 | 38.1 Ų | 38.1 | 28% | 0.276 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -67.6 | -37.3 | 176.5 | -170.6 | -173.3 | 34.2 | 0 | 0 | 111.9 | W177 Q212 G217 V218 T242 Y246 | W177-Q214 HydrophobicContact CH2-CG 4.11Å; W177-Q214 HydrophobicContact CZ3-CG 3.96Å; Q212-Q214 VanDerWaalsContact C-N 3.32Å; Q212-Q214 PolarHBondContact O-N 3.4Å; Q214-G217 PolarHBondContact O-N 3.35Å; Q214-V218 WeakPolarHBondContact O-CG2 3.36Å; Q214-V218 PolarHBondContact O-N 3.44Å; Q214-T242 HydrophobicContact CG-CG2 4.43Å; Q214-Y246 HydrophobicContact CB-CE2 4.02Å; Q214-Y246 HydrophobicContact CG-CE2 4.12Å |
| 215 | L | 98.6 | Very high | 97.4 | Very high | 12 Ų | 12 | 36.7 Ų | 36.7 | 6% | 0.063 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.8 | -44.8 | 174.4 | 177.8 | 59.8 | 0 | 0 | 0 | 111 | Q212 G217 V218 T219 Y246 Q250 I251 M254 | Q212-L215 WeakPolarHBondContact O-CB 3.49Å; Q212-L215 PolarHBondContact O-N 3.39Å; Q212-L215 VanDerWaalsContact O-N 3.07Å; L215-G217 VanDerWaalsContact C-N 3.33Å; L215-G217 PolarHBondContact O-N 2.88Å; L215-V218 WeakPolarHBondContact O-CG2 3.39Å; L215-T219 VanDerWaalsContact O-CB 3.24Å; L215-T219 WeakPolarHBondContact O-CB 3.35Å; L215-T219 PolarHBondContact O-N 3.11Å; L215-T219 PolarHBondContact O-OG1 3.12Å; L215-Y246 HydrophobicContact CB-CD1 3.92Å; L215-Y246 HydrophobicContact CB-CD2 4.23Å; L215-Y246 HydrophobicContact CB-CE1 3.76Å; L215-Y246 HydrophobicContact CB-CE2 4.1Å; L215-Y246 HydrophobicContact CB-CG 4.16Å; L215-Y246 HydrophobicContact CD1-CD1 4.1Å; L215-Y246 HydrophobicContact CD1-CD2 4.28Å; L215-Y246 HydrophobicContact CD1-CG 3.83Å; L215-Y246 HydrophobicContact CD2-CD1 4.13Å; L215-Y246 HydrophobicContact CD2-CE1 4.47Å; L215-Y246 HydrophobicContact CG-CD1 4.27Å; L215-Y246 HydrophobicContact CG-CG 4.43Å; L215-Q250 HydrophobicContact CD1-CB 4.45Å; L215-Q250 HydrophobicContact CD2-CB 4.27Å; L215-I251 HydrophobicContact CD1-CG1 3.8Å; L215-M254 HydrophobicContact CD1-CB 4.37Å; L215-M254 HydrophobicContact CD2-CB 4.2Å; L215-M254 HydrophobicContact CD2-CE 3.9Å; L215-M254 HydrophobicContact CG-CB 4.01Å; L215-M254 HydrophobicContact CG-CE 4.12Å; L215-M254 HydrophobicContact CG-CG 4.1Å |
| 216 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.1 | -47.8 | 172.9 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | F202 L203 V208 Q212 L213 T219 A220 M254 I258 | F202-V216 HydrophobicContact CD1-CG1 3.63Å; F202-V216 HydrophobicContact CD1-CG2 4.27Å; F202-V216 HydrophobicContact CE1-CG1 3.93Å; F202-V216 HydrophobicContact CE1-CG2 3.69Å; L203-V216 HydrophobicContact CD2-CG1 4.49Å; V208-V216 HydrophobicContact CG1-CG2 4.14Å; V208-V216 HydrophobicContact CG2-CG2 4.36Å; Q212-V216 PolarHBondContact O-N 3.23Å; L213-V216 PolarHBondContact O-N 2.71Å; V216-T219 PolarHBondContact O-N 3.11Å; V216-A220 VanDerWaalsContact O-CB 3.29Å; V216-A220 WeakPolarHBondContact O-CB 3.48Å; V216-A220 PolarHBondContact O-N 2.68Å; V216-M254 HydrophobicContact CG2-CE 3.87Å; V216-M254 HydrophobicContact CG2-SD 3.85Å; V216-I258 HydrophobicContact CG1-CD1 4.45Å |
| 217 | G | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.7 | -49.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L213 Q214 L215 T219 A220 M221 | L213-G217 PolarHBondContact O-N 3.21Å; Q214-G217 PolarHBondContact O-N 3.35Å; L215-G217 VanDerWaalsContact C-N 3.33Å; L215-G217 PolarHBondContact O-N 2.88Å; G217-T219 VanDerWaalsContact C-N 3.33Å; G217-T219 PolarHBondContact O-N 2.95Å; G217-A220 PolarHBondContact O-N 2.92Å; G217-M221 PolarHBondContact O-N 3.26Å |
| 218 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.3 | -34.4 | 178.2 | -65.2 | 0 | 0 | 0 | 0 | 112.7 | W177 Q214 L215 M221 F222 F238 V241 T242 | W177-V218 HydrophobicContact CH2-CG1 3.38Å; W177-V218 HydrophobicContact CZ3-CG1 3.62Å; Q214-V218 WeakPolarHBondContact O-CG2 3.36Å; Q214-V218 PolarHBondContact O-N 3.44Å; L215-V218 WeakPolarHBondContact O-CG2 3.39Å; V218-M221 PolarHBondContact O-N 2.87Å; V218-F222 WeakPolarHBondContact O-CB 3.43Å; V218-F222 PolarHBondContact O-N 2.87Å; V218-F238 HydrophobicContact CB-CD1 4.15Å; V218-V241 HydrophobicContact CG1-CG1 4.34Å; V218-T242 HydrophobicContact CB-CG2 4.26Å; V218-T242 HydrophobicContact CG1-CG2 3.46Å; V218-T242 VanDerWaalsContact CG1-CG2 3.46Å; V218-T242 HydrophobicContact CG2-CG2 3.97Å |
| 219 | T | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.4 | -39.6 | 178.2 | -53.2 | 0 | 0 | 0 | 0 | 111.2 | L215 V216 G217 M221 F222 L223 I251 M254 E255 I258 | L215-T219 VanDerWaalsContact O-CB 3.24Å; L215-T219 WeakPolarHBondContact O-CB 3.35Å; L215-T219 PolarHBondContact O-N 3.11Å; L215-T219 PolarHBondContact O-OG1 3.12Å; V216-T219 PolarHBondContact O-N 3.11Å; G217-T219 VanDerWaalsContact C-N 3.33Å; G217-T219 PolarHBondContact O-N 2.95Å; T219-M221 VanDerWaalsContact C-N 3.32Å; T219-M221 PolarHBondContact O-N 3.04Å; T219-F222 WeakPolarHBondContact O-CB 3.4Å; T219-F222 PolarHBondContact O-N 3.39Å; T219-L223 PolarHBondContact O-N 3.41Å; T219-I251 HydrophobicContact CG2-CG2 4.33Å; T219-I251 WeakPolarHBondContact CG2-O 3.44Å; T219-M254 HydrophobicContact CG2-CB 4.01Å; T219-M254 HydrophobicContact CG2-CG 3.91Å; T219-E255 VanDerWaalsContact CG2-CA 3.41Å; T219-E255 HydrophobicContact CG2-CB 3.67Å; T219-E255 VanDerWaalsContact CG2-N 3.32Å; T219-I258 HydrophobicContact CG2-CD1 3.87Å |
| 220 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.5 | -40.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T195 I198 I199 V216 G217 L223 A224 | T195-A220 HydrophobicContact CG2-CB 4.22Å; I198-A220 HydrophobicContact CB-CB 4.09Å; I198-A220 HydrophobicContact CG2-CB 3.58Å; I199-A220 HydrophobicContact CD1-CB 4.26Å; I199-A220 HydrophobicContact CG1-CB 3.58Å; V216-A220 VanDerWaalsContact O-CB 3.29Å; V216-A220 WeakPolarHBondContact O-CB 3.48Å; V216-A220 PolarHBondContact O-N 2.68Å; G217-A220 PolarHBondContact O-N 2.92Å; A220-L223 PolarHBondContact O-N 3.07Å; A220-A224 WeakPolarHBondContact O-CB 3.42Å; A220-A224 PolarHBondContact O-N 3.41Å |
| 221 | M | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69 | -36.2 | 175.5 | -172 | 172.8 | -80 | 0 | 0 | 112.5 | L178 V181 N182 L187 M192 T195 G217 V218 T219 A224 S225 F238 | L178-M221 HydrophobicContact CB-CE 3.81Å; L178-M221 HydrophobicContact CD2-CB 4.49Å; L178-M221 HydrophobicContact CD2-CE 3.82Å; L178-M221 HydrophobicContact CD2-SD 4.25Å; L178-M221 HydrophobicContact CG-CE 4.31Å; L178-M221 WeakPolarHBondContact O-CE 3.41Å; V181-M221 HydrophobicContact CB-SD 4.15Å; V181-M221 HydrophobicContact CG1-SD 3.66Å; N182-M221 HydrophobicContact CB-CE 4.16Å; L187-M221 HydrophobicContact CD1-CG 3.98Å; L187-M221 HydrophobicContact CD1-SD 3.83Å; M192-M221 HydrophobicContact SD-CE 3.79Å; T195-M221 HydrophobicContact CG2-CB 3.76Å; T195-M221 HydrophobicContact CG2-CE 4.18Å; T195-M221 HydrophobicContact CG2-CG 4.46Å; T195-M221 WeakPolarHBondContact OG1-CA 3.23Å; G217-M221 PolarHBondContact O-N 3.26Å; V218-M221 PolarHBondContact O-N 2.87Å; T219-M221 VanDerWaalsContact C-N 3.32Å; T219-M221 PolarHBondContact O-N 3.04Å; M221-A224 PolarHBondContact O-N 3.18Å; M221-S225 VanDerWaalsContact O-CB 3.3Å; M221-S225 WeakPolarHBondContact O-CB 3.3Å; M221-S225 PolarHBondContact O-N 3.47Å; M221-S225 PolarHBondContact O-OG 3.43Å; M221-F238 HydrophobicContact CB-CE1 3.83Å; M221-F238 HydrophobicContact CB-CZ 4.45Å; M221-F238 HydrophobicContact CG-CE1 3.7Å; M221-F238 HydrophobicContact CG-CZ 4.07Å; M221-F238 HydrophobicContact SD-CE1 4.06Å |
| 222 | F | 98.8 | Very high | 98.3 | Very high | 19 Ų | 19 | 42.7 Ų | 42.7 | 8% | 0.083 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62 | -46.2 | 173.1 | 177.2 | -121.9 | 0 | 0 | 0 | 111.4 | V218 T219 S225 K226 I235 F238 I251 E255 | V218-F222 WeakPolarHBondContact O-CB 3.43Å; V218-F222 PolarHBondContact O-N 2.87Å; T219-F222 WeakPolarHBondContact O-CB 3.4Å; T219-F222 PolarHBondContact O-N 3.39Å; F222-S225 PolarHBondContact O-N 2.67Å; F222-K226 HydrophobicContact CE1-CD 4.16Å; F222-K226 HydrophobicContact CE2-CD 4.13Å; F222-K226 HydrophobicContact CE2-CG 4.2Å; F222-K226 HydrophobicContact CZ-CD 3.81Å; F222-K226 HydrophobicContact CZ-CG 4.39Å; F222-K226 WeakPolarHBondContact O-CG 3.43Å; F222-K226 PolarHBondContact O-N 2.85Å; F222-I235 HydrophobicContact CE1-CB 4.46Å; F222-I235 HydrophobicContact CE1-CD1 4.31Å; F222-I235 HydrophobicContact CE1-CG1 4.36Å; F222-I235 HydrophobicContact CE2-CB 4.18Å; F222-I235 HydrophobicContact CZ-CB 3.94Å; F222-I235 HydrophobicContact CZ-CG1 4.33Å; F222-F238 HydrophobicContact CB-CD1 4.36Å; F222-F238 HydrophobicContact CB-CD2 3.86Å; F222-F238 HydrophobicContact CB-CE1 4.37Å; F222-F238 HydrophobicContact CB-CE2 3.87Å; F222-F238 HydrophobicContact CB-CG 4.1Å; F222-F238 HydrophobicContact CB-CZ 4.13Å; F222-F238 AromaticContact CD2-CD2 3.54Å; F222-F238 HydrophobicContact CD2-CD2 3.54Å; F222-F238 AromaticContact CD2-CE2 3.56Å; F222-F238 HydrophobicContact CD2-CE2 3.56Å; F222-F238 HydrophobicContact CD2-CG 4.5Å; F222-F238 HydrophobicContact CE2-CD2 4.46Å; F222-F238 HydrophobicContact CG-CD2 4.05Å; F222-F238 HydrophobicContact CG-CE2 4.19Å; F222-I251 HydrophobicContact CD1-CG2 4.32Å; F222-E255 WeakPolarHBondContact CD1-OE1 3.36Å; F222-E255 VanDerWaalsContact CE1-OE1 3.24Å; F222-E255 WeakPolarHBondContact CE1-OE1 3.49Å |
| 223 | L | 98.8 | Very high | 98.3 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.3 | -50.2 | 174.1 | -81.8 | 172.2 | 0 | 0 | 0 | 112.2 | I198 T219 A220 S225 K226 Y227 E255 I258 L259 | I198-L223 HydrophobicContact CD1-CB 4.19Å; T219-L223 PolarHBondContact O-N 3.41Å; A220-L223 PolarHBondContact O-N 3.07Å; L223-S225 VanDerWaalsContact C-N 3.28Å; L223-S225 PolarHBondContact O-N 3.37Å; L223-K226 PolarHBondContact O-N 3.12Å; L223-Y227 PolarHBondContact O-N 3.08Å; L223-Y227 VanDerWaalsContact O-N 3.16Å; L223-E255 HydrophobicContact CD2-CG 3.9Å; L223-E255 WeakPolarHBondContact CD2-OE1 3.29Å; L223-E255 HydrophobicContact CG-CG 4.26Å; L223-I258 HydrophobicContact CD1-CB 3.99Å; L223-I258 HydrophobicContact CD1-CD1 4.5Å; L223-I258 HydrophobicContact CD1-CG2 3.61Å; L223-L259 HydrophobicContact CD1-CD2 4.35Å; L223-L259 HydrophobicContact CD1-CG 4.26Å; L223-L259 HydrophobicContact CD2-CD1 4.05Å; L223-L259 HydrophobicContact CD2-CD2 3.8Å; L223-L259 HydrophobicContact CD2-CG 3.95Å |
| 224 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.9 | -40.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T191 M194 T195 I198 A220 M221 Y227 E228 | T191-A224 HydrophobicContact CG2-CB 3.95Å; T191-A224 WeakPolarHBondContact O-CB 3.47Å; M194-A224 HydrophobicContact CB-CB 3.93Å; M194-A224 HydrophobicContact CG-CB 3.78Å; M194-A224 HydrophobicContact SD-CB 4.06Å; T195-A224 WeakPolarHBondContact OG1-CB 3.18Å; I198-A224 HydrophobicContact CD1-CB 4.27Å; A220-A224 WeakPolarHBondContact O-CB 3.42Å; A220-A224 PolarHBondContact O-N 3.41Å; M221-A224 PolarHBondContact O-N 3.18Å; A224-Y227 PolarHBondContact O-N 2.87Å; A224-Y227 VanDerWaalsContact O-N 3.15Å; A224-E228 PolarHBondContact O-N 3.28Å |
| 225 | S | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.1 | -44.2 | 178.9 | -57.7 | 0 | 0 | 0 | 0 | 111 | M221 F222 L223 Y227 E228 E229 | M221-S225 VanDerWaalsContact O-CB 3.3Å; M221-S225 WeakPolarHBondContact O-CB 3.3Å; M221-S225 PolarHBondContact O-N 3.47Å; M221-S225 PolarHBondContact O-OG 3.43Å; F222-S225 PolarHBondContact O-N 2.67Å; L223-S225 VanDerWaalsContact C-N 3.28Å; L223-S225 PolarHBondContact O-N 3.37Å; S225-Y227 PolarHBondContact O-N 3.13Å; S225-E228 PolarHBondContact O-N 3.38Å; S225-E229 WeakPolarHBondContact O-CB 3.5Å; S225-E229 WeakPolarHBondContact O-CG 3.44Å; S225-E229 PolarHBondContact O-N 3.44Å |
| 226 | K | 98.4 | Very high | 98.3 | Very high | 95 Ų | 95 | 46.4 Ų | 46.4 | 41% | 0.413 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.6 | -25 | 175.7 | -72.8 | -167.3 | -63.9 | 173 | 0 | 113.6 | F222 L223 P232 E255 | F222-K226 HydrophobicContact CE1-CD 4.16Å; F222-K226 HydrophobicContact CE2-CD 4.13Å; F222-K226 HydrophobicContact CE2-CG 4.2Å; F222-K226 HydrophobicContact CZ-CD 3.81Å; F222-K226 HydrophobicContact CZ-CG 4.39Å; F222-K226 WeakPolarHBondContact O-CG 3.43Å; F222-K226 PolarHBondContact O-N 2.85Å; L223-K226 PolarHBondContact O-N 3.12Å; K226-P232 HydrophobicContact CG-CB 4.37Å; K226-P232 HydrophobicContact CG-CG 4.37Å; K226-E255 WeakPolarHBondContact CE-OE1 3.21Å; K226-E255 VanDerWaalsContact NZ-CD 3.31Å; K226-E255 IonicContact NZ-OE1 2.73Å; K226-E255 PolarHBondContact NZ-OE1 2.94Å; K226-E255 IonicContact NZ-OE2 3.99Å; K226-E255 PolarHBondContact NZ-OE2 3.15Å |
| 227 | Y | 98.1 | Very high | 98.3 | Very high | 131 Ų | 131 | 49.1 Ų | 49.1 | 51% | 0.514 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -85.8 | -43.2 | -179.3 | -166.2 | -83.4 | 0 | 0 | 0 | 112.4 | M194 L223 A224 S225 L266 | M194-Y227 HydrophobicContact CE-CD1 3.44Å; M194-Y227 VanDerWaalsContact CE-CD1 3.44Å; M194-Y227 HydrophobicContact CE-CE1 3.73Å; M194-Y227 HydrophobicContact CE-CG 4.18Å; M194-Y227 HydrophobicContact SD-CD1 3.73Å; M194-Y227 HydrophobicContact SD-CG 3.89Å; L223-Y227 PolarHBondContact O-N 3.08Å; L223-Y227 VanDerWaalsContact O-N 3.16Å; A224-Y227 PolarHBondContact O-N 2.87Å; A224-Y227 VanDerWaalsContact O-N 3.15Å; S225-Y227 PolarHBondContact O-N 3.13Å; Y227-L266 HydrophobicContact CD2-CB 4.25Å; Y227-L266 HydrophobicContact CD2-CD1 4.23Å; Y227-L266 HydrophobicContact CE2-CB 4.26Å |
| 228 | E | 97.6 | Very high | 98.2 | Very high | 58 Ų | 58 | 49.1 Ų | 49.1 | 27% | 0.271 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -102.2 | -28.3 | -170.8 | -70.6 | -66.9 | 160.6 | 0 | 0 | 114.5 | E190 T191 M194 A224 S225 | E190-E228 HydrophobicContact CB-CG 4.33Å; T191-E228 WeakPolarHBondContact OG1-CB 3.45Å; M194-E228 HydrophobicContact CE-CG 3.85Å; M194-E228 WeakPolarHBondContact CE-OE1 3.45Å; M194-E228 HydrophobicContact SD-CG 4.01Å; A224-E228 PolarHBondContact O-N 3.28Å; S225-E228 PolarHBondContact O-N 3.38Å |
| 229 | E | 98.1 | Very high | 98.2 | Very high | 34 Ų | 34 | 49.6 Ų | 49.6 | 16% | 0.159 | 24% | 0.237 | C | C | . | . | trans | -87.1 | 137.8 | -173.7 | -57.1 | -67.7 | 159.5 | 0 | 0 | 111.9 | L187 L188 T191 S225 Y231 P232 | L187-E229 WeakPolarHBondContact CA-OE1 3.45Å; L187-E229 WeakPolarHBondContact CB-OE1 3.36Å; L187-E229 HydrophobicContact CD2-CG 3.93Å; L188-E229 WeakPolarHBondContact CB-OE1 3.43Å; L188-E229 PolarHBondContact N-OE1 3.41Å; T191-E229 WeakPolarHBondContact CB-OE1 3.44Å; T191-E229 PolarHBondContact OG1-OE1 3.43Å; S225-E229 WeakPolarHBondContact O-CB 3.5Å; S225-E229 WeakPolarHBondContact O-CG 3.44Å; S225-E229 PolarHBondContact O-N 3.44Å; E229-Y231 PolarHBondContact O-N 2.62Å; E229-P232 HydrophobicContact CB-CB 4.27Å | ||
| 230 | M | 97.6 | Very high | 98.1 | Very high | 152 Ų | 152 | 53.3 Ų | 53.3 | 75% | 0.749 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -62.7 | -35.1 | 169.1 | -172 | -178.7 | -171.6 | 0 | 0 | 111.6 | ||
| 231 | Y | 97.3 | Very high | 98.1 | Very high | 183 Ų | 183 | 54.1 Ų | 54.1 | 72% | 0.718 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -135.1 | 83.4 | 179.7 | -56.3 | -70.8 | 0 | 0 | 0 | 109.3 | E229 | E229-Y231 PolarHBondContact O-N 2.62Š|
| 232 | P | 97.8 | Very high | 97.9 | Very high | 54 Ų | 54 | 54.3 Ų | 54.3 | 35% | 0.351 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 149 | 180 | 27.5 | -34.5 | 0 | 0 | 0 | 111.7 | K226 E229 | K226-P232 HydrophobicContact CG-CB 4.37Å; K226-P232 HydrophobicContact CG-CG 4.37Å; E229-P232 HydrophobicContact CB-CB 4.27Å |
| 233 | P | 98.2 | Very high | 97.7 | Very high | 18 Ų | 18 | 58.9 Ų | 58.9 | 12% | 0.117 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 153.4 | 170.2 | -18.7 | 30.5 | 0 | 0 | 0 | 111.9 | F185 L187 D237 F238 | F185-P233 HydrophobicContact CB-CG 4.21Å; F185-P233 HydrophobicContact CD2-CG 4.02Å; F185-P233 HydrophobicContact CG-CG 4.09Å; L187-P233 HydrophobicContact CD2-CG 3.91Å; P233-D237 HydrophobicContact CB-CB 4.07Å; P233-F238 HydrophobicContact CB-CD2 4.43Å; P233-F238 HydrophobicContact CB-CE2 3.83Å; P233-F238 HydrophobicContact CB-CZ 4.49Å; P233-F238 HydrophobicContact CG-CE2 4.13Å; P233-F238 HydrophobicContact CG-CZ 4.36Å |
| 234 | E | 98 | Very high | 97.5 | Very high | 134 Ų | 134 | 67.9 Ų | 67.9 | 63% | 0.626 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -73.7 | 158.2 | 178.8 | -67.3 | -175.6 | -176.8 | 0 | 0 | 111.2 | S236 D237 F238 | E234-S236 WeakPolarHBondContact CB-OG 3.41Å; E234-S236 PolarHBondContact O-N 2.96Å; E234-S236 VanDerWaalsContact O-N 3.12Å; E234-S236 PolarHBondContact OE2-OG 3.41Å; E234-D237 PolarHBondContact N-OD2 2.9Å; E234-D237 WeakPolarHBondContact O-CB 3.27Å; E234-D237 PolarHBondContact O-N 3.26Å; E234-F238 PolarHBondContact O-N 2.9Å |
| 235 | I | 98.4 | Very high | 97.3 | Very high | 40 Ų | 40 | 70.7 Ų | 70.7 | 21% | 0.205 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.8 | -29.5 | 175.9 | -166.9 | 170.4 | 0 | 0 | 0 | 112.5 | F222 D237 F238 A239 T248 I251 R252 | F222-I235 HydrophobicContact CE1-CB 4.46Å; F222-I235 HydrophobicContact CE1-CD1 4.31Å; F222-I235 HydrophobicContact CE1-CG1 4.36Å; F222-I235 HydrophobicContact CE2-CB 4.18Å; F222-I235 HydrophobicContact CZ-CB 3.94Å; F222-I235 HydrophobicContact CZ-CG1 4.33Å; I235-D237 VanDerWaalsContact C-N 3.34Å; I235-F238 PolarHBondContact O-N 2.88Å; I235-A239 PolarHBondContact O-N 3.34Å; I235-A239 VanDerWaalsContact O-N 3.08Å; I235-T248 WeakPolarHBondContact CD1-O 3.28Å; I235-T248 HydrophobicContact CG1-CG2 4.23Å; I235-T248 HydrophobicContact CG2-CG2 4.02Å; I235-I251 HydrophobicContact CD1-CB 4.12Å; I235-I251 HydrophobicContact CD1-CG2 3.95Å; I235-I251 HydrophobicContact CG1-CB 4.16Å; I235-I251 HydrophobicContact CG1-CD1 4.47Å; I235-I251 HydrophobicContact CG1-CG2 3.84Å; I235-R252 HydrophobicContact CD1-CB 4.39Å |
| 236 | S | 98.1 | Very high | 97.3 | Very high | 51 Ų | 51 | 72.1 Ų | 72.1 | 36% | 0.357 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.3 | -34.5 | 175.5 | 53.7 | 0 | 0 | 0 | 0 | 112.3 | E234 A239 Y240 | E234-S236 WeakPolarHBondContact CB-OG 3.41Å; E234-S236 PolarHBondContact O-N 2.96Å; E234-S236 VanDerWaalsContact O-N 3.12Å; E234-S236 PolarHBondContact OE2-OG 3.41Å; S236-A239 PolarHBondContact O-N 3.08Å; S236-Y240 WeakPolarHBondContact O-CB 3.49Å; S236-Y240 PolarHBondContact O-N 3.25Å |
| 237 | D | 98.1 | Very high | 97.3 | Very high | 57 Ų | 57 | 71.1 Ų | 71.1 | 31% | 0.305 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68 | -39.3 | 176.8 | -62.9 | -44.6 | 0 | 0 | 0 | 111.1 | F185 P233 E234 I235 Y240 V241 | F185-D237 HydrophobicContact CE1-CB 4.21Å; F185-D237 HydrophobicContact CZ-CB 3.95Å; P233-D237 HydrophobicContact CB-CB 4.07Å; E234-D237 PolarHBondContact N-OD2 2.9Å; E234-D237 WeakPolarHBondContact O-CB 3.27Å; E234-D237 PolarHBondContact O-N 3.26Å; I235-D237 VanDerWaalsContact C-N 3.34Å; D237-Y240 WeakPolarHBondContact O-CB 3.31Å; D237-Y240 PolarHBondContact O-N 2.85Å; D237-V241 PolarHBondContact O-N 3.19Å |
| 238 | F | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.9 | -37.4 | 174.8 | -75.4 | -79.9 | 0 | 0 | 0 | 112.5 | F185 V218 M221 F222 P233 E234 I235 Y240 V241 I251 | F185-F238 HydrophobicContact CD2-CE1 4.33Å; F185-F238 HydrophobicContact CD2-CZ 4.31Å; F185-F238 HydrophobicContact CE2-CD1 4.14Å; F185-F238 AromaticContact CE2-CE1 3.91Å; F185-F238 HydrophobicContact CE2-CE1 3.91Å; F185-F238 HydrophobicContact CE2-CZ 4.14Å; V218-F238 HydrophobicContact CB-CD1 4.15Å; M221-F238 HydrophobicContact CB-CE1 3.83Å; M221-F238 HydrophobicContact CB-CZ 4.45Å; M221-F238 HydrophobicContact CG-CE1 3.7Å; M221-F238 HydrophobicContact CG-CZ 4.07Å; M221-F238 HydrophobicContact SD-CE1 4.06Å; F222-F238 HydrophobicContact CB-CD1 4.36Å; F222-F238 HydrophobicContact CB-CD2 3.86Å; F222-F238 HydrophobicContact CB-CE1 4.37Å; F222-F238 HydrophobicContact CB-CE2 3.87Å; F222-F238 HydrophobicContact CB-CG 4.1Å; F222-F238 HydrophobicContact CB-CZ 4.13Å; F222-F238 AromaticContact CD2-CD2 3.54Å; F222-F238 HydrophobicContact CD2-CD2 3.54Å; F222-F238 AromaticContact CD2-CE2 3.56Å; F222-F238 HydrophobicContact CD2-CE2 3.56Å; F222-F238 HydrophobicContact CD2-CG 4.5Å; F222-F238 HydrophobicContact CE2-CD2 4.46Å; F222-F238 HydrophobicContact CG-CD2 4.05Å; F222-F238 HydrophobicContact CG-CE2 4.19Å; P233-F238 HydrophobicContact CB-CD2 4.43Å; P233-F238 HydrophobicContact CB-CE2 3.83Å; P233-F238 HydrophobicContact CB-CZ 4.49Å; P233-F238 HydrophobicContact CG-CE2 4.13Å; P233-F238 HydrophobicContact CG-CZ 4.36Å; E234-F238 PolarHBondContact O-N 2.9Å; I235-F238 PolarHBondContact O-N 2.88Å; F238-Y240 VanDerWaalsContact C-N 3.32Å; F238-V241 WeakPolarHBondContact O-CG1 3.29Å; F238-I251 HydrophobicContact CB-CD1 4.16Å |
| 239 | A | 97.8 | Very high | 97.3 | Very high | 10 Ų | 10 | 66.9 Ų | 66.9 | 8% | 0.083 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.5 | -43 | 170 | 0 | 0 | 0 | 0 | 0 | 110.9 | I235 S236 T242 R244 T248 I251 | I235-A239 PolarHBondContact O-N 3.34Å; I235-A239 VanDerWaalsContact O-N 3.08Å; S236-A239 PolarHBondContact O-N 3.08Å; A239-T242 PolarHBondContact O-N 3.36Å; A239-T242 PolarHBondContact O-OG1 3.28Å; A239-R244 WeakPolarHBondContact O-CA 3.43Å; A239-R244 PolarHBondContact O-N 3.38Å; A239-R244 VanDerWaalsContact O-N 3.09Å; A239-T248 HydrophobicContact CB-CG2 4.05Å; A239-I251 HydrophobicContact CB-CD1 3.97Å |
| 240 | Y | 97.4 | Very high | 97.4 | Very high | 77 Ų | 77 | 69.1 Ų | 69.1 | 30% | 0.302 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 179.1 | 177.7 | -89.3 | 0 | 0 | 0 | 112.8 | L36 S236 D237 F238 T242 D243 | L36-Y240 HydrophobicContact CB-CE1 3.68Å; L36-Y240 WeakPolarHBondContact CB-OH 3.19Å; L36-Y240 HydrophobicContact CD1-CD1 3.89Å; L36-Y240 HydrophobicContact CD1-CE1 3.45Å; L36-Y240 VanDerWaalsContact CD1-CE1 3.45Å; L36-Y240 HydrophobicContact CD1-CE2 4.18Å; L36-Y240 HydrophobicContact CD1-CG 4.44Å; L36-Y240 HydrophobicContact CD2-CD1 4.29Å; L36-Y240 HydrophobicContact CD2-CE1 3.82Å; L36-Y240 HydrophobicContact CG-CE1 3.81Å; S236-Y240 WeakPolarHBondContact O-CB 3.49Å; S236-Y240 PolarHBondContact O-N 3.25Å; D237-Y240 WeakPolarHBondContact O-CB 3.31Å; D237-Y240 PolarHBondContact O-N 2.85Å; F238-Y240 VanDerWaalsContact C-N 3.32Å; Y240-T242 PolarHBondContact O-N 3.34Å; Y240-D243 WeakPolarHBondContact O-CA 3.4Å; Y240-D243 PolarHBondContact O-N 3.2Å |
| 241 | V | 97.2 | Very high | 97.4 | Very high | 17 Ų | 17 | 61.9 Ų | 61.9 | 10% | 0.103 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.6 | -18.1 | -176.9 | 80.5 | 0 | 0 | 0 | 0 | 113.3 | W177 V181 F185 V218 D237 F238 D243 | W177-V241 HydrophobicContact CH2-CG1 4.27Å; W177-V241 HydrophobicContact CZ2-CG1 4.38Å; W177-V241 HydrophobicContact CZ2-CG2 4.4Å; V181-V241 HydrophobicContact CG1-CG1 4.16Å; V181-V241 HydrophobicContact CG1-CG2 4.09Å; V181-V241 HydrophobicContact CG2-CG1 4.47Å; V181-V241 HydrophobicContact CG2-CG2 3.82Å; F185-V241 HydrophobicContact CE2-CG1 4.38Å; F185-V241 HydrophobicContact CZ-CB 4.02Å; F185-V241 HydrophobicContact CZ-CG1 4.27Å; F185-V241 HydrophobicContact CZ-CG2 4.42Å; V218-V241 HydrophobicContact CG1-CG1 4.34Å; D237-V241 PolarHBondContact O-N 3.19Å; F238-V241 WeakPolarHBondContact O-CG1 3.29Å; V241-D243 PolarHBondContact O-N 3.3Å |
| 242 | T | 95.3 | Very high | 97.5 | Very high | 5 Ų | 5 | 59.8 Ų | 59.8 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 16.6 | 170.6 | 66.9 | 0 | 0 | 0 | 0 | 113.7 | W177 Q214 V218 A239 Y240 R244 A245 Y246 | W177-T242 HydrophobicContact CH2-CG2 4.17Å; Q214-T242 HydrophobicContact CG-CG2 4.43Å; V218-T242 HydrophobicContact CB-CG2 4.26Å; V218-T242 HydrophobicContact CG1-CG2 3.46Å; V218-T242 VanDerWaalsContact CG1-CG2 3.46Å; V218-T242 HydrophobicContact CG2-CG2 3.97Å; A239-T242 PolarHBondContact O-N 3.36Å; A239-T242 PolarHBondContact O-OG1 3.28Å; Y240-T242 PolarHBondContact O-N 3.34Å; T242-R244 PolarHBondContact O-N 2.95Å; T242-R244 VanDerWaalsContact O-N 3.16Å; T242-A245 WeakPolarHBondContact O-CB 3.42Å; T242-A245 PolarHBondContact O-N 3.32Å; T242-Y246 HydrophobicContact CG2-CD2 3.88Å; T242-Y246 HydrophobicContact CG2-CE2 4.24Å |
| 243 | D | 95.1 | Very high | 97.5 | Very high | 115 Ų | 115 | 62.1 Ų | 62.1 | 62% | 0.615 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 34.5 | -169.6 | -63.9 | -30.6 | 0 | 0 | 0 | 112.3 | Y240 V241 A245 | Y240-D243 WeakPolarHBondContact O-CA 3.4Å; Y240-D243 PolarHBondContact O-N 3.2Å; V241-D243 PolarHBondContact O-N 3.3Å; D243-A245 PolarHBondContact O-N 3.33Å |
| 244 | R | 93.1 | Very high | 97.5 | Very high | 195 Ų | 195 | 62 Ų | 62 | 74% | 0.736 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 26 | -175.1 | -53.3 | 177.5 | 179.4 | -115.9 | -0.4 | 113.9 | A239 T242 Y246 | A239-R244 WeakPolarHBondContact O-CA 3.43Å; A239-R244 PolarHBondContact O-N 3.38Å; A239-R244 VanDerWaalsContact O-N 3.09Å; T242-R244 PolarHBondContact O-N 2.95Å; T242-R244 VanDerWaalsContact O-N 3.16Å; R244-Y246 PolarHBondContact O-N 2.93Å |
| 245 | A | 96.1 | Very high | 97.6 | Very high | 58 Ų | 58 | 56.6 Ų | 56.6 | 48% | 0.479 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -58.8 | -26.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T242 D243 | T242-A245 WeakPolarHBondContact O-CB 3.42Å; T242-A245 PolarHBondContact O-N 3.32Å; D243-A245 PolarHBondContact O-N 3.33Å |
| 246 | Y | 97.6 | Very high | 97.6 | Very high | 31 Ų | 31 | 58.3 Ų | 58.3 | 12% | 0.122 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -126.3 | 145.4 | 175.4 | -46.8 | -75.6 | 0 | 0 | 0 | 112 | K211 Q214 L215 T242 R244 | K211-Y246 PolarHBondContact O-OH 3.48Å; Q214-Y246 HydrophobicContact CB-CE2 4.02Å; Q214-Y246 HydrophobicContact CG-CE2 4.12Å; L215-Y246 HydrophobicContact CB-CD1 3.92Å; L215-Y246 HydrophobicContact CB-CD2 4.23Å; L215-Y246 HydrophobicContact CB-CE1 3.76Å; L215-Y246 HydrophobicContact CB-CE2 4.1Å; L215-Y246 HydrophobicContact CB-CG 4.16Å; L215-Y246 HydrophobicContact CD1-CD1 4.1Å; L215-Y246 HydrophobicContact CD1-CD2 4.28Å; L215-Y246 HydrophobicContact CD1-CG 3.83Å; L215-Y246 HydrophobicContact CD2-CD1 4.13Å; L215-Y246 HydrophobicContact CD2-CE1 4.47Å; L215-Y246 HydrophobicContact CG-CD1 4.27Å; L215-Y246 HydrophobicContact CG-CG 4.43Å; T242-Y246 HydrophobicContact CG2-CD2 3.88Å; T242-Y246 HydrophobicContact CG2-CE2 4.24Å; R244-Y246 PolarHBondContact O-N 2.93Å |
| 247 | T | 98.3 | Very high | 97.6 | Very high | 74 Ų | 74 | 57.7 Ų | 57.7 | 45% | 0.454 | 29% | 0.294 | S | S | . | . | trans | -82.6 | 158.5 | 173.4 | 63.6 | 0 | 0 | 0 | 0 | 111.2 | A249 Q250 I251 | T247-A249 PolarHBondContact O-N 3.43Å; T247-Q250 PolarHBondContact O-N 3.05Å; T247-Q250 VanDerWaalsContact O-N 3.14Å; T247-Q250 WeakPolarHBondContact OG1-CG 3.48Å; T247-Q250 PolarHBondContact OG1-N 2.95Å; T247-Q250 PolarHBondContact OG1-OE1 3.18Å; T247-I251 PolarHBondContact O-N 3.35Å; T247-I251 VanDerWaalsContact O-N 3.1Å | ||
| 248 | T | 98.3 | Very high | 97.6 | Very high | 52 Ų | 52 | 55 Ų | 55 | 32% | 0.319 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.9 | -24.4 | 174.1 | 56.6 | 0 | 0 | 0 | 0 | 112.7 | I235 A239 R252 | I235-T248 WeakPolarHBondContact CD1-O 3.28Å; I235-T248 HydrophobicContact CG1-CG2 4.23Å; I235-T248 HydrophobicContact CG2-CG2 4.02Å; A239-T248 HydrophobicContact CB-CG2 4.05Å; T248-R252 WeakPolarHBondContact O-CB 3.22Å; T248-R252 PolarHBondContact O-N 3.3Å; T248-R252 VanDerWaalsContact O-N 3.13Å |
| 249 | A | 98.4 | Very high | 97.6 | Very high | 48 Ų | 48 | 55.9 Ų | 55.9 | 40% | 0.397 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.2 | -48.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | T247 I251 R252 D253 | T247-A249 PolarHBondContact O-N 3.43Å; A249-I251 VanDerWaalsContact C-N 3.32Å; A249-I251 PolarHBondContact O-N 3.31Å; A249-R252 WeakPolarHBondContact O-CB 3.47Å; A249-R252 PolarHBondContact O-N 3.2Å; A249-R252 VanDerWaalsContact O-N 3.09Å; A249-D253 PolarHBondContact O-N 3.17Å |
| 250 | Q | 98.4 | Very high | 97.7 | Very high | 80 Ų | 80 | 62.8 Ų | 62.8 | 37% | 0.374 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.5 | -38.6 | 176.9 | -71.5 | 167.2 | -61.3 | 0 | 0 | 112.6 | L215 T247 R252 D253 M254 | L215-Q250 HydrophobicContact CD1-CB 4.45Å; L215-Q250 HydrophobicContact CD2-CB 4.27Å; T247-Q250 PolarHBondContact O-N 3.05Å; T247-Q250 VanDerWaalsContact O-N 3.14Å; T247-Q250 WeakPolarHBondContact OG1-CG 3.48Å; T247-Q250 PolarHBondContact OG1-N 2.95Å; T247-Q250 PolarHBondContact OG1-OE1 3.18Å; Q250-R252 VanDerWaalsContact C-N 3.32Å; Q250-D253 PolarHBondContact O-N 3.49Å; Q250-M254 WeakPolarHBondContact O-CB 3.44Å; Q250-M254 PolarHBondContact O-N 3.47Å |
| 251 | I | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 175.1 | -64.5 | 171.6 | 0 | 0 | 0 | 110.4 | L215 T219 F222 I235 F238 A239 T247 A249 M254 E255 | L215-I251 HydrophobicContact CD1-CG1 3.8Å; T219-I251 HydrophobicContact CG2-CG2 4.33Å; T219-I251 WeakPolarHBondContact CG2-O 3.44Å; F222-I251 HydrophobicContact CD1-CG2 4.32Å; I235-I251 HydrophobicContact CD1-CB 4.12Å; I235-I251 HydrophobicContact CD1-CG2 3.95Å; I235-I251 HydrophobicContact CG1-CB 4.16Å; I235-I251 HydrophobicContact CG1-CD1 4.47Å; I235-I251 HydrophobicContact CG1-CG2 3.84Å; F238-I251 HydrophobicContact CB-CD1 4.16Å; A239-I251 HydrophobicContact CB-CD1 3.97Å; T247-I251 PolarHBondContact O-N 3.35Å; T247-I251 VanDerWaalsContact O-N 3.1Å; A249-I251 VanDerWaalsContact C-N 3.32Å; A249-I251 PolarHBondContact O-N 3.31Å; I251-M254 PolarHBondContact O-N 2.93Å; I251-E255 VanDerWaalsContact O-CB 3.28Å; I251-E255 WeakPolarHBondContact O-CB 3.43Å; I251-E255 PolarHBondContact O-N 3.13Å |
| 252 | R | 98.6 | Very high | 97.7 | Very high | 139 Ų | 139 | 60.7 Ų | 60.7 | 53% | 0.525 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.4 | -40 | 177.5 | -165.5 | -172.4 | -41.5 | -145.4 | 1.2 | 112.7 | I235 T248 A249 Q250 E255 M256 | I235-R252 HydrophobicContact CD1-CB 4.39Å; T248-R252 WeakPolarHBondContact O-CB 3.22Å; T248-R252 PolarHBondContact O-N 3.3Å; T248-R252 VanDerWaalsContact O-N 3.13Å; A249-R252 WeakPolarHBondContact O-CB 3.47Å; A249-R252 PolarHBondContact O-N 3.2Å; A249-R252 VanDerWaalsContact O-N 3.09Å; Q250-R252 VanDerWaalsContact C-N 3.32Å; R252-E255 WeakPolarHBondContact O-CB 3.44Å; R252-E255 PolarHBondContact O-N 2.87Å; R252-M256 WeakPolarHBondContact O-CG 3.27Å; R252-M256 PolarHBondContact O-N 3.34Å; R252-M256 VanDerWaalsContact O-N 3.07Å |
| 253 | D | 98.5 | Very high | 97.8 | Very high | 103 Ų | 103 | 68.1 Ų | 68.1 | 55% | 0.551 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -67.3 | -42.6 | 177.4 | -66.9 | -22.9 | 0 | 0 | 0 | 111.2 | A249 Q250 E255 M256 T257 | A249-D253 PolarHBondContact O-N 3.17Å; Q250-D253 PolarHBondContact O-N 3.49Å; D253-E255 VanDerWaalsContact C-N 3.32Å; D253-E255 PolarHBondContact O-N 3.46Å; D253-M256 PolarHBondContact O-N 3.31Å; D253-T257 PolarHBondContact O-N 3.43Å; D253-T257 VanDerWaalsContact O-N 3.1Å; D253-T257 PolarHBondContact O-OG1 2.93Å |
| 254 | M | 98.6 | Very high | 97.9 | Very high | 16 Ų | 16 | 69 Ų | 69 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 173.5 | -175.9 | 58.2 | 69.8 | 0 | 0 | 111.2 | F202 L215 V216 T219 Q250 I251 M256 T257 I258 | F202-M254 HydrophobicContact CE1-SD 4.43Å; F202-M254 HydrophobicContact CZ-SD 4.14Å; L215-M254 HydrophobicContact CD1-CB 4.37Å; L215-M254 HydrophobicContact CD2-CB 4.2Å; L215-M254 HydrophobicContact CD2-CE 3.9Å; L215-M254 HydrophobicContact CG-CB 4.01Å; L215-M254 HydrophobicContact CG-CE 4.12Å; L215-M254 HydrophobicContact CG-CG 4.1Å; V216-M254 HydrophobicContact CG2-CE 3.87Å; V216-M254 HydrophobicContact CG2-SD 3.85Å; T219-M254 HydrophobicContact CG2-CB 4.01Å; T219-M254 HydrophobicContact CG2-CG 3.91Å; Q250-M254 WeakPolarHBondContact O-CB 3.44Å; Q250-M254 PolarHBondContact O-N 3.47Å; I251-M254 PolarHBondContact O-N 2.93Å; M254-M256 PolarHBondContact O-N 2.98Å; M254-T257 WeakPolarHBondContact O-CB 3.32Å; M254-T257 PolarHBondContact O-N 3.12Å; M254-T257 VanDerWaalsContact O-N 3.11Å; M254-I258 HydrophobicContact CG-CD1 3.9Å; M254-I258 HydrophobicContact CG-CG1 4.29Å; M254-I258 WeakPolarHBondContact O-CG1 3.31Å; M254-I258 PolarHBondContact O-N 3.38Å; M254-I258 HydrophobicContact SD-CD1 4.31Å; M254-I258 HydrophobicContact SD-CG1 4.18Å |
| 255 | E | 98.7 | Very high | 98.1 | Very high | 20 Ų | 20 | 64.6 Ų | 64.6 | 9% | 0.093 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.2 | -49.5 | 178.5 | 164.3 | 169.6 | -101.5 | 0 | 0 | 110.7 | T219 F222 L223 K226 I251 R252 D253 T257 I258 L259 | T219-E255 VanDerWaalsContact CG2-CA 3.41Å; T219-E255 HydrophobicContact CG2-CB 3.67Å; T219-E255 VanDerWaalsContact CG2-N 3.32Å; F222-E255 WeakPolarHBondContact CD1-OE1 3.36Å; F222-E255 VanDerWaalsContact CE1-OE1 3.24Å; F222-E255 WeakPolarHBondContact CE1-OE1 3.49Å; L223-E255 HydrophobicContact CD2-CG 3.9Å; L223-E255 WeakPolarHBondContact CD2-OE1 3.29Å; L223-E255 HydrophobicContact CG-CG 4.26Å; K226-E255 WeakPolarHBondContact CE-OE1 3.21Å; K226-E255 VanDerWaalsContact NZ-CD 3.31Å; K226-E255 IonicContact NZ-OE1 2.73Å; K226-E255 PolarHBondContact NZ-OE1 2.94Å; K226-E255 IonicContact NZ-OE2 3.99Å; K226-E255 PolarHBondContact NZ-OE2 3.15Å; I251-E255 VanDerWaalsContact O-CB 3.28Å; I251-E255 WeakPolarHBondContact O-CB 3.43Å; I251-E255 PolarHBondContact O-N 3.13Å; R252-E255 WeakPolarHBondContact O-CB 3.44Å; R252-E255 PolarHBondContact O-N 2.87Å; D253-E255 VanDerWaalsContact C-N 3.32Å; D253-E255 PolarHBondContact O-N 3.46Å; E255-T257 PolarHBondContact O-N 3.07Å; E255-I258 PolarHBondContact O-N 3.27Å; E255-L259 HydrophobicContact CG-CD1 3.9Å; E255-L259 WeakPolarHBondContact O-CB 3.39Å; E255-L259 WeakPolarHBondContact O-CG 3.45Å; E255-L259 PolarHBondContact O-N 2.84Å |
| 256 | M | 98.4 | Very high | 98.1 | Very high | 76 Ų | 76 | 62.7 Ų | 62.7 | 37% | 0.374 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.7 | -34.4 | 177.1 | -70 | -59.8 | -63.3 | 0 | 0 | 112.1 | R252 D253 M254 R260 | R252-M256 WeakPolarHBondContact O-CG 3.27Å; R252-M256 PolarHBondContact O-N 3.34Å; R252-M256 VanDerWaalsContact O-N 3.07Å; D253-M256 PolarHBondContact O-N 3.31Å; M254-M256 PolarHBondContact O-N 2.98Å; M256-R260 WeakPolarHBondContact O-CB 3.06Å; M256-R260 VanDerWaalsContact O-CG 3.27Å; M256-R260 WeakPolarHBondContact O-CG 3.45Å; M256-R260 PolarHBondContact O-N 2.82Å; M256-R260 VanDerWaalsContact O-N 3.11Å; M256-R260 PolarHBondContact O-NE 3.36Å |
| 257 | T | 98.6 | Very high | 97.7 | Very high | 39 Ų | 39 | 62.5 Ų | 62.5 | 24% | 0.239 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.2 | -48.9 | 177.6 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | F202 D253 M254 E255 L259 R260 V261 | F202-T257 HydrophobicContact CE2-CG2 4.15Å; F202-T257 HydrophobicContact CZ-CG2 4.32Å; D253-T257 PolarHBondContact O-N 3.43Å; D253-T257 VanDerWaalsContact O-N 3.1Å; D253-T257 PolarHBondContact O-OG1 2.93Å; M254-T257 WeakPolarHBondContact O-CB 3.32Å; M254-T257 PolarHBondContact O-N 3.12Å; M254-T257 VanDerWaalsContact O-N 3.11Å; E255-T257 PolarHBondContact O-N 3.07Å; T257-L259 PolarHBondContact O-N 2.97Å; T257-R260 PolarHBondContact O-N 2.78Å; T257-V261 WeakPolarHBondContact O-CG2 3.27Å; T257-V261 PolarHBondContact O-N 2.84Å |
| 258 | I | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59 | -48 | 177.1 | -67.4 | 171.5 | 0 | 0 | 0 | 110.4 | I198 F202 V216 T219 L223 M254 E255 R260 V261 L262 | I198-I258 HydrophobicContact CG2-CG2 3.62Å; F202-I258 HydrophobicContact CD1-CG1 4.32Å; F202-I258 HydrophobicContact CD2-CB 4.19Å; F202-I258 HydrophobicContact CD2-CG1 3.76Å; F202-I258 HydrophobicContact CD2-CG2 4.42Å; F202-I258 HydrophobicContact CE1-CG1 4.37Å; F202-I258 HydrophobicContact CE2-CB 4.41Å; F202-I258 HydrophobicContact CE2-CG1 3.81Å; F202-I258 HydrophobicContact CG-CG1 4.02Å; F202-I258 HydrophobicContact CZ-CG1 4.12Å; V216-I258 HydrophobicContact CG1-CD1 4.45Å; T219-I258 HydrophobicContact CG2-CD1 3.87Å; L223-I258 HydrophobicContact CD1-CB 3.99Å; L223-I258 HydrophobicContact CD1-CD1 4.5Å; L223-I258 HydrophobicContact CD1-CG2 3.61Å; M254-I258 HydrophobicContact CG-CD1 3.9Å; M254-I258 HydrophobicContact CG-CG1 4.29Å; M254-I258 WeakPolarHBondContact O-CG1 3.31Å; M254-I258 PolarHBondContact O-N 3.38Å; M254-I258 HydrophobicContact SD-CD1 4.31Å; M254-I258 HydrophobicContact SD-CG1 4.18Å; E255-I258 PolarHBondContact O-N 3.27Å; I258-R260 VanDerWaalsContact C-N 3.32Å; I258-R260 PolarHBondContact O-N 2.89Å; I258-V261 PolarHBondContact O-N 3.39Å; I258-L262 HydrophobicContact CG2-CD1 3.83Å; I258-L262 HydrophobicContact CG2-CG 4.31Å; I258-L262 WeakPolarHBondContact O-CB 3.41Å; I258-L262 WeakPolarHBondContact O-CG 3.26Å; I258-L262 PolarHBondContact O-N 3.17Å |
| 259 | L | 98.6 | Very high | 97 | Very high | 18 Ų | 18 | 58.2 Ų | 58.2 | 9% | 0.094 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.4 | -40.1 | 179.9 | -73.4 | 171.8 | 0 | 0 | 0 | 112.7 | L223 E255 T257 K263 F264 L266 | L223-L259 HydrophobicContact CD1-CD2 4.35Å; L223-L259 HydrophobicContact CD1-CG 4.26Å; L223-L259 HydrophobicContact CD2-CD1 4.05Å; L223-L259 HydrophobicContact CD2-CD2 3.8Å; L223-L259 HydrophobicContact CD2-CG 3.95Å; E255-L259 HydrophobicContact CG-CD1 3.9Å; E255-L259 WeakPolarHBondContact O-CB 3.39Å; E255-L259 WeakPolarHBondContact O-CG 3.45Å; E255-L259 PolarHBondContact O-N 2.84Å; T257-L259 PolarHBondContact O-N 2.97Å; L259-K263 WeakPolarHBondContact O-CA 3.34Å; L259-K263 PolarHBondContact O-N 2.96Å; L259-F264 HydrophobicContact CB-CD1 4.2Å; L259-F264 HydrophobicContact CB-CE1 3.9Å; L259-F264 HydrophobicContact CB-CE2 4.31Å; L259-F264 HydrophobicContact CB-CZ 3.95Å; L259-F264 HydrophobicContact CD1-CD1 4.42Å; L259-F264 HydrophobicContact CD1-CE1 3.85Å; L259-F264 HydrophobicContact CD1-CZ 4.44Å; L259-F264 HydrophobicContact CD2-CD1 3.9Å; L259-F264 HydrophobicContact CD2-CE1 4.18Å; L259-F264 HydrophobicContact CG-CD1 4.41Å; L259-F264 HydrophobicContact CG-CE1 4.2Å; L259-F264 PolarHBondContact O-N 2.98Å; L259-L266 HydrophobicContact CD2-CD1 4.13Å; L259-L266 HydrophobicContact CD2-CD2 4.49Å |
| 260 | R | 98.3 | Very high | 96.8 | Very high | 155 Ų | 155 | 56.3 Ų | 56.3 | 59% | 0.585 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -67.8 | -46.4 | 176.9 | -76.1 | -177.6 | -127.1 | 139.3 | -3.1 | 112.2 | M256 T257 I258 L262 K263 | M256-R260 WeakPolarHBondContact O-CB 3.06Å; M256-R260 VanDerWaalsContact O-CG 3.27Å; M256-R260 WeakPolarHBondContact O-CG 3.45Å; M256-R260 PolarHBondContact O-N 2.82Å; M256-R260 VanDerWaalsContact O-N 3.11Å; M256-R260 PolarHBondContact O-NE 3.36Å; T257-R260 PolarHBondContact O-N 2.78Å; I258-R260 VanDerWaalsContact C-N 3.32Å; I258-R260 PolarHBondContact O-N 2.89Å; R260-L262 VanDerWaalsContact C-N 3.32Å; R260-L262 PolarHBondContact O-N 3.12Å; R260-K263 PolarHBondContact O-N 3.21Å; R260-K263 VanDerWaalsContact O-N 3.11Å |
| 261 | V | 98.1 | Very high | 96.7 | Very high | 44 Ų | 44 | 53.1 Ų | 53.1 | 27% | 0.267 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 178.5 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | F202 D205 H206 T257 I258 K263 | F202-V261 HydrophobicContact CD2-CB 3.87Å; F202-V261 HydrophobicContact CD2-CG1 3.86Å; F202-V261 HydrophobicContact CD2-CG2 4.17Å; F202-V261 HydrophobicContact CE2-CB 4.06Å; F202-V261 HydrophobicContact CE2-CG1 4.34Å; F202-V261 HydrophobicContact CE2-CG2 3.84Å; D205-V261 HydrophobicContact CB-CG1 4.45Å; H206-V261 HydrophobicContact CB-CG1 4.24Å; H206-V261 HydrophobicContact CB-CG2 4.18Å; T257-V261 WeakPolarHBondContact O-CG2 3.27Å; T257-V261 PolarHBondContact O-N 2.84Å; I258-V261 PolarHBondContact O-N 3.39Å; V261-K263 PolarHBondContact O-N 3.15Å |
| 262 | L | 97.8 | Very high | 96.6 | Very high | 7 Ų | 7 | 53.2 Ų | 53.2 | 4% | 0.037 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 1.2 | 178.3 | -60.1 | -174.6 | 0 | 0 | 0 | 113.9 | I198 R201 I258 R260 F264 Q265 L266 | I198-L262 HydrophobicContact CB-CD1 4.38Å; I198-L262 HydrophobicContact CG1-CD1 4.35Å; I198-L262 HydrophobicContact CG2-CD1 3.89Å; R201-L262 HydrophobicContact CB-CD2 3.62Å; I258-L262 HydrophobicContact CG2-CD1 3.83Å; I258-L262 HydrophobicContact CG2-CG 4.31Å; I258-L262 WeakPolarHBondContact O-CB 3.41Å; I258-L262 WeakPolarHBondContact O-CG 3.26Å; I258-L262 PolarHBondContact O-N 3.17Å; R260-L262 VanDerWaalsContact C-N 3.32Å; R260-L262 PolarHBondContact O-N 3.12Å; L262-F264 PolarHBondContact O-N 3.46Å; L262-F264 VanDerWaalsContact O-N 3.14Å; L262-Q265 WeakPolarHBondContact O-CB 3.35Å; L262-Q265 PolarHBondContact O-N 3.36Å; L262-L266 HydrophobicContact CD1-CD2 4.01Å |
| 263 | K | 97.6 | Very high | 96.4 | Very high | 160 Ų | 160 | 49.6 Ų | 49.6 | 70% | 0.696 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 37.8 | -177.5 | -54.3 | 177.6 | -175.9 | 174.2 | 0 | 112.9 | L259 R260 V261 Q265 | L259-K263 WeakPolarHBondContact O-CA 3.34Å; L259-K263 PolarHBondContact O-N 2.96Å; R260-K263 PolarHBondContact O-N 3.21Å; R260-K263 VanDerWaalsContact O-N 3.11Å; V261-K263 PolarHBondContact O-N 3.15Å; K263-Q265 PolarHBondContact O-N 3.3Å; K263-Q265 VanDerWaalsContact O-N 3.08Å |
| 264 | F | 97.6 | Very high | 96.4 | Very high | 134 Ų | 134 | 44.7 Ų | 44.7 | 59% | 0.588 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 13.1 | -175.6 | -63.8 | -101.1 | 0 | 0 | 0 | 115.3 | L259 L262 L266 | L259-F264 HydrophobicContact CB-CD1 4.2Å; L259-F264 HydrophobicContact CB-CE1 3.9Å; L259-F264 HydrophobicContact CB-CE2 4.31Å; L259-F264 HydrophobicContact CB-CZ 3.95Å; L259-F264 HydrophobicContact CD1-CD1 4.42Å; L259-F264 HydrophobicContact CD1-CE1 3.85Å; L259-F264 HydrophobicContact CD1-CZ 4.44Å; L259-F264 HydrophobicContact CD2-CD1 3.9Å; L259-F264 HydrophobicContact CD2-CE1 4.18Å; L259-F264 HydrophobicContact CG-CD1 4.41Å; L259-F264 HydrophobicContact CG-CE1 4.2Å; L259-F264 PolarHBondContact O-N 2.98Å; L262-F264 PolarHBondContact O-N 3.46Å; L262-F264 VanDerWaalsContact O-N 3.14Å; F264-L266 PolarHBondContact O-N 3.21Å; F264-L266 VanDerWaalsContact O-N 3.16Å |
| 265 | Q | 96.3 | Very high | 96.4 | Very high | 102 Ų | 102 | 43.9 Ų | 43.9 | 48% | 0.477 | 21% | 0.209 | S | C | . | . | trans | -85.7 | 85.8 | 178.4 | -63.4 | 174.4 | -10.2 | 0 | 0 | 110 | R201 L262 K263 | R201-Q265 PolarHBondContact NH1-O 2.89Å; R201-Q265 PolarHBondContact NH2-O 2.94Å; L262-Q265 WeakPolarHBondContact O-CB 3.35Å; L262-Q265 PolarHBondContact O-N 3.36Å; K263-Q265 PolarHBondContact O-N 3.3Å; K263-Q265 VanDerWaalsContact O-N 3.08Å | ||
| 266 | L | 95.1 | Very high | 96.3 | Very high | 18 Ų | 18 | 47.7 Ų | 47.7 | 9% | 0.094 | 22% | 0.223 | C | C | . | . | trans | -95.8 | -12.6 | -179.7 | -58.1 | -178.4 | 0 | 0 | 0 | 114 | I198 Y227 L259 L262 F264 R268 | I198-L266 HydrophobicContact CD1-CD2 4.01Å; I198-L266 HydrophobicContact CG1-CD2 4.08Å; Y227-L266 HydrophobicContact CD2-CB 4.25Å; Y227-L266 HydrophobicContact CD2-CD1 4.23Å; Y227-L266 HydrophobicContact CE2-CB 4.26Å; L259-L266 HydrophobicContact CD2-CD1 4.13Å; L259-L266 HydrophobicContact CD2-CD2 4.49Å; L262-L266 HydrophobicContact CD1-CD2 4.01Å; F264-L266 PolarHBondContact O-N 3.21Å; F264-L266 VanDerWaalsContact O-N 3.16Å; L266-R268 PolarHBondContact O-N 3.36Å | ||
| 267 | G | 89.3 | Confident | 96.1 | Very high | 28 Ų | 28 | 44.7 Ų | 44.7 | 29% | 0.289 | 21% | 0.207 | S | C | . | . | trans | -75.1 | 38 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 268 | R | 89.9 | Confident | 96.1 | Very high | 35 Ų | 35 | 42.8 Ų | 42.8 | 13% | 0.132 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 131.3 | 176.6 | -172.9 | 176.8 | -179.6 | -104.4 | 6.1 | 109.3 | Q154 L266 L270 | Q154-R268 HydrophobicContact CB-CB 4.41Å; Q154-R268 HydrophobicContact CB-CG 4.13Å; Q154-R268 PolarHBondContact O-NE 2.93Å; Q154-R268 VanDerWaalsContact O-NE 3.16Å; L266-R268 PolarHBondContact O-N 3.36Å; R268-L270 PolarHBondContact O-N 3.41Å |
| 269 | P | 93.3 | Very high | 96 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -54.6 | 137.2 | 175.5 | -26.6 | 33.6 | 0 | 0 | 0 | 111.9 | L147 L150 E151 F274 P310 | L147-P269 HydrophobicContact CB-CB 4.29Å; L147-P269 HydrophobicContact CB-CG 4.24Å; L147-P269 HydrophobicContact CD2-CB 4.05Å; L147-P269 HydrophobicContact CD2-CG 3.99Å; L147-P269 WeakPolarHBondContact O-CG 3.38Å; L150-P269 HydrophobicContact CB-CG 3.53Å; L150-P269 HydrophobicContact CD1-CG 4.35Å; E151-P269 HydrophobicContact CB-CB 4.41Å; E151-P269 HydrophobicContact CB-CG 4.1Å; P269-F274 HydrophobicContact CB-CE2 3.8Å; P269-F274 HydrophobicContact CB-CZ 4.25Å; P269-P310 WeakPolarHBondContact O-CG 3.49Å |
| 270 | L | 94.6 | Very high | 95.8 | Very high | 7 Ų | 7 | 45.6 Ų | 45.6 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -96.2 | 136.6 | -176.5 | -56.2 | 179.9 | 0 | 0 | 0 | 109.8 | E190 M194 R268 L272 Q273 | E190-L270 HydrophobicContact CB-CD1 3.66Å; E190-L270 HydrophobicContact CG-CD1 3.87Å; M194-L270 HydrophobicContact CB-CD2 4.16Å; R268-L270 PolarHBondContact O-N 3.41Å; L270-L272 PolarHBondContact O-N 2.82Å; L270-Q273 HydrophobicContact CB-CG 4.37Å; L270-Q273 WeakPolarHBondContact O-CB 3.45Å; L270-Q273 PolarHBondContact O-N 3.2Å |
| 271 | P | 96.4 | Very high | 95.6 | Very high | 13 Ų | 13 | 38.3 Ų | 38.3 | 8% | 0.084 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -54.8 | -31.2 | 178.1 | -23.2 | 30.4 | 0 | 0 | 0 | 112.8 | Y193 Q273 F274 L275 L296 P310 A314 | Y193-P271 HydrophobicContact CD1-CG 4Å; Y193-P271 HydrophobicContact CE1-CB 4.45Å; Y193-P271 HydrophobicContact CE1-CG 4.19Å; P271-Q273 VanDerWaalsContact C-N 3.28Å; P271-Q273 PolarHBondContact O-N 3.26Å; P271-F274 PolarHBondContact O-N 2.85Å; P271-L275 PolarHBondContact O-N 2.99Å; P271-L296 HydrophobicContact CB-CD1 3.8Å; P271-L296 HydrophobicContact CB-CD2 3.86Å; P271-L296 HydrophobicContact CB-CG 4.07Å; P271-P310 HydrophobicContact CB-CB 4.27Å; P271-P310 HydrophobicContact CG-CB 3.82Å; P271-P310 HydrophobicContact CG-CG 4.5Å; P271-A314 VanDerWaalsContact O-CB 3.3Å; P271-A314 WeakPolarHBondContact O-CB 3.26Å |
| 272 | L | 95.4 | Very high | 95.4 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.2 | -30.7 | 178.6 | -168.3 | 62.7 | 0 | 0 | 0 | 113.7 | Q189 E190 Y193 L270 R276 K293 | Q189-L272 HydrophobicContact CB-CD2 3.91Å; Q189-L272 HydrophobicContact CG-CD2 3.95Å; E190-L272 HydrophobicContact CG-CD2 4.2Å; Y193-L272 HydrophobicContact CD2-CB 4.23Å; Y193-L272 HydrophobicContact CE2-CB 4.15Å; L270-L272 PolarHBondContact O-N 2.82Å; L272-R276 VanDerWaalsContact O-CG 3.27Å; L272-R276 WeakPolarHBondContact O-CG 3.3Å; L272-R276 PolarHBondContact O-N 3.46Å; L272-K293 HydrophobicContact CD1-CD 4.44Å; L272-K293 HydrophobicContact CD1-CG 4.25Å |
| 273 | Q | 95.2 | Very high | 95.3 | Very high | 62 Ų | 62 | 44.8 Ų | 44.8 | 29% | 0.29 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.3 | -41.6 | 177.9 | -68.5 | 168.3 | -31.8 | 0 | 0 | 111.3 | Y144 L270 P271 R277 | Y144-Q273 PolarHBondContact OH-O 3.32Å; L270-Q273 HydrophobicContact CB-CG 4.37Å; L270-Q273 WeakPolarHBondContact O-CB 3.45Å; L270-Q273 PolarHBondContact O-N 3.2Å; P271-Q273 VanDerWaalsContact C-N 3.28Å; P271-Q273 PolarHBondContact O-N 3.26Å; Q273-R277 PolarHBondContact O-N 3.38Å |
| 274 | F | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.5 | -37.7 | 174.4 | -64.6 | -72.7 | 0 | 0 | 0 | 111.9 | Y144 L147 R148 P269 P271 R276 R277 A278 P310 A314 M338 | Y144-F274 AromaticContact CD1-CD1 3.88Å; Y144-F274 HydrophobicContact CD1-CD1 3.88Å; Y144-F274 AromaticContact CD1-CE1 3.87Å; Y144-F274 HydrophobicContact CD1-CE1 3.87Å; Y144-F274 AromaticContact CE1-CD1 3.95Å; Y144-F274 HydrophobicContact CE1-CD1 3.95Å; Y144-F274 HydrophobicContact CE1-CE1 4.3Å; L147-F274 HydrophobicContact CB-CE1 4.26Å; L147-F274 HydrophobicContact CB-CZ 3.79Å; R148-F274 HydrophobicContact CG-CE1 4.45Å; P269-F274 HydrophobicContact CB-CE2 3.8Å; P269-F274 HydrophobicContact CB-CZ 4.25Å; P271-F274 PolarHBondContact O-N 2.85Å; F274-R276 VanDerWaalsContact C-N 3.34Å; F274-R276 PolarHBondContact O-N 3.47Å; F274-R277 WeakPolarHBondContact O-CB 3.22Å; F274-R277 PolarHBondContact O-N 2.79Å; F274-A278 PolarHBondContact O-N 3.28Å; F274-P310 HydrophobicContact CD2-CB 4.14Å; F274-P310 HydrophobicContact CE2-CB 4.07Å; F274-A314 HydrophobicContact CB-CB 3.62Å; F274-M338 HydrophobicContact CB-CE 4.2Å |
| 275 | L | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.6 | -41.1 | 176.3 | 178.2 | 59.6 | 0 | 0 | 0 | 111.7 | P271 R277 A278 S279 A292 K293 L296 A314 L318 | P271-L275 PolarHBondContact O-N 2.99Å; L275-R277 VanDerWaalsContact C-N 3.31Å; L275-R277 PolarHBondContact O-N 3.18Å; L275-A278 PolarHBondContact O-N 2.96Å; L275-S279 VanDerWaalsContact O-CB 3.26Å; L275-S279 WeakPolarHBondContact O-CB 3.03Å; L275-S279 PolarHBondContact O-N 3.35Å; L275-S279 PolarHBondContact O-OG 2.95Å; L275-A292 HydrophobicContact CD1-CB 3.67Å; L275-A292 HydrophobicContact CD2-CB 4.17Å; L275-K293 HydrophobicContact CD2-CB 4.31Å; L275-K293 HydrophobicContact CD2-CG 3.55Å; L275-L296 HydrophobicContact CB-CD2 4.03Å; L275-L296 HydrophobicContact CD2-CD2 3.75Å; L275-L296 HydrophobicContact CG-CD2 4.49Å; L275-A314 HydrophobicContact CB-CB 4.11Å; L275-L318 HydrophobicContact CD1-CB 3.98Å |
| 276 | R | 96.2 | Very high | 95.1 | Very high | 99 Ų | 99 | 33.7 Ų | 33.7 | 37% | 0.374 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60.6 | -41 | 174.7 | -75.2 | 167.8 | 178.6 | 153.5 | 1.7 | 111.8 | E190 L272 F274 S279 K280 | E190-R276 IonicContact OE1-CZ 2.64Å; E190-R276 IonicContact OE1-NH1 3.38Å; E190-R276 PolarHBondContact OE1-NH1 2.86Å; E190-R276 IonicContact OE1-NH2 2.55Å; E190-R276 PolarHBondContact OE1-NH2 3.12Å; L272-R276 VanDerWaalsContact O-CG 3.27Å; L272-R276 WeakPolarHBondContact O-CG 3.3Å; L272-R276 PolarHBondContact O-N 3.46Å; F274-R276 VanDerWaalsContact C-N 3.34Å; F274-R276 PolarHBondContact O-N 3.47Å; R276-S279 PolarHBondContact O-N 3.02Å; R276-K280 PolarHBondContact O-N 3.24Å; R276-K280 VanDerWaalsContact O-N 3.1Å |
| 277 | R | 96 | Very high | 95.2 | Very high | 13 Ų | 13 | 37.3 Ų | 37.3 | 5% | 0.049 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.2 | -54.7 | 175.3 | -171.1 | 49.1 | -175.5 | -179.3 | 7.3 | 111.5 | D126 Y144 Q273 F274 L275 S279 K280 I281 M338 | D126-R277 IonicContact OD1-CZ 3.24Å; D126-R277 IonicContact OD1-NH1 3.64Å; D126-R277 PolarHBondContact OD1-NH1 2.72Å; D126-R277 IonicContact OD1-NH2 2.58Å; D126-R277 IonicContact OD2-CZ 3.44Å; D126-R277 VanDerWaalsContact OD2-CZ 3.25Å; D126-R277 IonicContact OD2-NH1 3.2Å; D126-R277 PolarHBondContact OD2-NH1 3.15Å; D126-R277 IonicContact OD2-NH2 3.44Å; D126-R277 PolarHBondContact OD2-NH2 2.86Å; Y144-R277 HydrophobicContact CD1-CG 4.29Å; Y144-R277 HydrophobicContact CD2-CG 4.31Å; Y144-R277 HydrophobicContact CE1-CB 3.64Å; Y144-R277 HydrophobicContact CE1-CG 3.84Å; Y144-R277 HydrophobicContact CE2-CB 4.19Å; Y144-R277 HydrophobicContact CE2-CG 3.9Å; Y144-R277 VanDerWaalsContact CZ-CB 3.49Å; Y144-R277 WeakPolarHBondContact OH-CB 3.15Å; Q273-R277 PolarHBondContact O-N 3.38Å; F274-R277 WeakPolarHBondContact O-CB 3.22Å; F274-R277 PolarHBondContact O-N 2.79Å; L275-R277 VanDerWaalsContact C-N 3.31Å; L275-R277 PolarHBondContact O-N 3.18Å; R277-S279 VanDerWaalsContact C-N 3.27Å; R277-S279 PolarHBondContact O-N 2.92Å; R277-K280 WeakPolarHBondContact O-CB 3.14Å; R277-K280 PolarHBondContact O-N 3.15Å; R277-K280 VanDerWaalsContact O-N 3.1Å; R277-I281 HydrophobicContact CG-CD1 3.73Å; R277-I281 WeakPolarHBondContact O-CD1 3.44Å; R277-I281 WeakPolarHBondContact O-CG1 3.45Å; R277-I281 PolarHBondContact O-N 3.08Å; R277-M338 HydrophobicContact CB-SD 4.35Å; R277-M338 HydrophobicContact CG-SD 4.08Å |
| 278 | A | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.1 | -39.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F274 L275 K280 I281 Y282 L318 L334 M338 | F274-A278 PolarHBondContact O-N 3.28Å; L275-A278 PolarHBondContact O-N 2.96Å; A278-K280 VanDerWaalsContact C-N 3.32Å; A278-K280 PolarHBondContact O-N 2.91Å; A278-I281 PolarHBondContact O-N 3.42Å; A278-Y282 PolarHBondContact O-N 2.97Å; A278-Y282 VanDerWaalsContact O-N 3.1Å; A278-L318 HydrophobicContact CB-CD2 3.45Å; A278-L318 VanDerWaalsContact CB-CD2 3.45Å; A278-L334 HydrophobicContact CB-CD2 4.17Å; A278-M338 HydrophobicContact CB-CE 3.91Å; A278-M338 HydrophobicContact CB-CG 4.33Å; A278-M338 HydrophobicContact CB-SD 3.93Å |
| 279 | S | 96.8 | Very high | 96 | Very high | 12 Ų | 12 | 37.7 Ų | 37.7 | 8% | 0.084 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.3 | -37.2 | 176.6 | -61.7 | 0 | 0 | 0 | 0 | 113 | L275 R276 R277 E283 V284 H289 | L275-S279 VanDerWaalsContact O-CB 3.26Å; L275-S279 WeakPolarHBondContact O-CB 3.03Å; L275-S279 PolarHBondContact O-N 3.35Å; L275-S279 PolarHBondContact O-OG 2.95Å; R276-S279 PolarHBondContact O-N 3.02Å; R277-S279 VanDerWaalsContact C-N 3.27Å; R277-S279 PolarHBondContact O-N 2.92Å; S279-E283 PolarHBondContact O-N 3.02Å; S279-E283 VanDerWaalsContact O-N 3.1Å; S279-V284 VanDerWaalsContact CB-CG2 3.42Å; S279-V284 PolarHBondContact O-N 3.5Å; S279-V284 VanDerWaalsContact O-N 3.08Å; S279-H289 WeakPolarHBondContact CB-ND1 3.46Å; S279-H289 PolarHBondContact OG-CE1 2.93Å; S279-H289 PolarHBondContact OG-ND1 3.46Å |
| 280 | K | 94.3 | Very high | 96.3 | Very high | 64 Ų | 64 | 38.3 Ų | 38.3 | 28% | 0.278 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -69.9 | -47.1 | 175.6 | -177.1 | -173 | 174 | -167 | 0 | 111.2 | D126 D129 R276 R277 A278 Y282 E283 | D126-K280 IonicContact OD1-NZ 2.76Å; D126-K280 PolarHBondContact OD1-NZ 2.91Å; D129-K280 VanDerWaalsContact OD2-CE 3.24Å; D129-K280 WeakPolarHBondContact OD2-CE 3.48Å; D129-K280 IonicContact OD2-NZ 2.72Å; D129-K280 PolarHBondContact OD2-NZ 3Å; R276-K280 PolarHBondContact O-N 3.24Å; R276-K280 VanDerWaalsContact O-N 3.1Å; R277-K280 WeakPolarHBondContact O-CB 3.14Å; R277-K280 PolarHBondContact O-N 3.15Å; R277-K280 VanDerWaalsContact O-N 3.1Å; A278-K280 VanDerWaalsContact C-N 3.32Å; A278-K280 PolarHBondContact O-N 2.91Å; K280-Y282 VanDerWaalsContact C-N 3.3Å; K280-Y282 PolarHBondContact O-N 3.26Å; K280-E283 PolarHBondContact O-N 3.17Å; K280-E283 VanDerWaalsContact O-N 3.14Å |
| 281 | I | 94.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56 | -45.9 | -179.3 | -69 | 154.2 | 0 | 0 | 0 | 111.4 | R123 V125 R277 A278 T333 L334 Y337 M338 | R123-I281 PolarHBondContact NH2-O 3.41Å; V125-I281 HydrophobicContact CG1-CB 4.42Å; V125-I281 HydrophobicContact CG1-CG1 4.31Å; V125-I281 HydrophobicContact CG1-CG2 4.22Å; V125-I281 HydrophobicContact CG2-CG1 4.03Å; R277-I281 HydrophobicContact CG-CD1 3.73Å; R277-I281 WeakPolarHBondContact O-CD1 3.44Å; R277-I281 WeakPolarHBondContact O-CG1 3.45Å; R277-I281 PolarHBondContact O-N 3.08Å; A278-I281 PolarHBondContact O-N 3.42Å; I281-T333 HydrophobicContact CG2-CG2 3.84Å; I281-L334 HydrophobicContact CB-CD2 4.07Å; I281-L334 HydrophobicContact CG2-CD2 3.82Å; I281-L334 HydrophobicContact CG2-CG 4.09Å; I281-Y337 HydrophobicContact CD1-CD2 4.37Å; I281-Y337 HydrophobicContact CD1-CG 3.94Å; I281-Y337 HydrophobicContact CG1-CD2 4.24Å; I281-Y337 HydrophobicContact CG1-CG 4.21Å; I281-Y337 HydrophobicContact CG2-CD2 4.22Å; I281-M338 HydrophobicContact CD1-CG 4.25Å; I281-M338 HydrophobicContact CD1-SD 3.89Å |
| 282 | Y | 95.1 | Very high | 96.5 | Very high | 53 Ų | 53 | 37.4 Ų | 37.4 | 21% | 0.208 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -3.2 | -177.8 | -164.7 | -92.8 | 0 | 0 | 0 | 113.7 | A278 K280 V284 L322 A327 G328 E329 L334 | A278-Y282 PolarHBondContact O-N 2.97Å; A278-Y282 VanDerWaalsContact O-N 3.1Å; K280-Y282 VanDerWaalsContact C-N 3.3Å; K280-Y282 PolarHBondContact O-N 3.26Å; Y282-V284 HydrophobicContact CD1-CG1 3.66Å; Y282-V284 HydrophobicContact CG-CG1 4.27Å; Y282-V284 PolarHBondContact O-N 3.11Å; Y282-L322 HydrophobicContact CD1-CD1 3.92Å; Y282-L322 HydrophobicContact CD1-CD2 3.84Å; Y282-L322 HydrophobicContact CD2-CD1 4.26Å; Y282-L322 HydrophobicContact CE1-CD1 3.67Å; Y282-L322 HydrophobicContact CE1-CD2 3.42Å; Y282-L322 VanDerWaalsContact CE1-CD2 3.42Å; Y282-L322 HydrophobicContact CE1-CG 4.19Å; Y282-L322 HydrophobicContact CE2-CD1 4.01Å; Y282-L322 HydrophobicContact CG-CD1 4.2Å; Y282-A327 PolarHBondContact OH-O 3.44Å; Y282-G328 WeakPolarHBondContact OH-CA 3.5Å; Y282-E329 VanDerWaalsContact CE2-O 3.31Å; Y282-E329 WeakPolarHBondContact CE2-O 3.19Å; Y282-L334 HydrophobicContact CD2-CD1 3.3Å; Y282-L334 HydrophobicContact CD2-CG 4.02Å; Y282-L334 HydrophobicContact CE2-CD1 4.04Å; Y282-L334 HydrophobicContact CG-CD1 3.88Å |
| 283 | E | 94.5 | Very high | 96.7 | Very high | 135 Ų | 135 | 39.3 Ų | 39.3 | 63% | 0.631 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 46 | 179.6 | -58.2 | 179.8 | 173.3 | 0 | 0 | 113.5 | R123 S279 K280 | R123-E283 IonicContact CZ-OE1 3.78Å; R123-E283 VanDerWaalsContact CZ-OE1 3.3Å; R123-E283 IonicContact NH1-OE1 3.1Å; R123-E283 PolarHBondContact NH1-OE1 3.46Å; R123-E283 IonicContact NH2-OE1 3.31Å; R123-E283 PolarHBondContact NH2-OE1 3.46Å; S279-E283 PolarHBondContact O-N 3.02Å; S279-E283 VanDerWaalsContact O-N 3.1Å; K280-E283 PolarHBondContact O-N 3.17Å; K280-E283 VanDerWaalsContact O-N 3.14Å |
| 284 | V | 94.9 | Very high | 96.8 | Very high | 24 Ų | 24 | 36.4 Ų | 36.4 | 15% | 0.145 | 18% | 0.182 | C | C | . | . | trans | -68.6 | 150.2 | -173.1 | -55.6 | 0 | 0 | 0 | 0 | 112.6 | S279 Y282 Q288 H289 L318 L322 | S279-V284 VanDerWaalsContact CB-CG2 3.42Å; S279-V284 PolarHBondContact O-N 3.5Å; S279-V284 VanDerWaalsContact O-N 3.08Å; Y282-V284 HydrophobicContact CD1-CG1 3.66Å; Y282-V284 HydrophobicContact CG-CG1 4.27Å; Y282-V284 PolarHBondContact O-N 3.11Å; V284-Q288 HydrophobicContact CB-CB 3.98Å; V284-Q288 VanDerWaalsContact CB-OE1 3.31Å; V284-H289 HydrophobicContact CG2-CB 3.9Å; V284-L318 HydrophobicContact CG1-CD1 3.83Å; V284-L318 HydrophobicContact CG1-CD2 4.39Å; V284-L322 HydrophobicContact CG1-CD2 4.46Å | ||
| 285 | T | 97 | Very high | 96.9 | Very high | 69 Ų | 69 | 36.4 Ų | 36.4 | 42% | 0.423 | 18% | 0.182 | S | C | . | . | trans | -70.6 | 162.4 | 172 | 72.8 | 0 | 0 | 0 | 0 | 111.8 | E287 Q288 H289 | T285-E287 PolarHBondContact O-N 3.14Å; T285-Q288 PolarHBondContact O-N 3.15Å; T285-Q288 WeakPolarHBondContact OG1-CG 3.41Å; T285-Q288 PolarHBondContact OG1-N 3.47Å; T285-H289 PolarHBondContact O-N 2.96Å | ||
| 286 | A | 96.4 | Very high | 96.9 | Very high | 70 Ų | 70 | 36.4 Ų | 36.4 | 58% | 0.579 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -57.5 | -36.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T290 M379 | A286-T290 VanDerWaalsContact O-CB 3.23Å; A286-T290 WeakPolarHBondContact O-CB 3.3Å; A286-T290 PolarHBondContact O-N 2.93Å; A286-T290 PolarHBondContact O-OG1 3.28Å; A286-M379 WeakPolarHBondContact O-CE 3.31Å |
| 287 | E | 97.1 | Very high | 96.9 | Very high | 94 Ų | 94 | 31.7 Ų | 31.7 | 44% | 0.439 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64.1 | -51.2 | 177.4 | -177 | 174.9 | -154.3 | 0 | 0 | 111.1 | T285 H289 T290 L291 L325 I381 | T285-E287 PolarHBondContact O-N 3.14Å; E287-H289 PolarHBondContact O-N 2.96Å; E287-T290 PolarHBondContact O-N 2.91Å; E287-L291 WeakPolarHBondContact O-CB 3.37Å; E287-L291 PolarHBondContact O-N 3.48Å; E287-L325 HydrophobicContact CG-CD1 4.28Å; E287-I381 HydrophobicContact CG-CD1 3.81Å |
| 288 | Q | 97.7 | Very high | 97 | Very high | 29 Ų | 29 | 31.5 Ų | 31.5 | 14% | 0.136 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.2 | -46.4 | 177.1 | -69 | 159.7 | 1.7 | 0 | 0 | 111.4 | V284 T285 T290 L291 A292 L325 A327 | V284-Q288 HydrophobicContact CB-CB 3.98Å; V284-Q288 VanDerWaalsContact CB-OE1 3.31Å; T285-Q288 PolarHBondContact O-N 3.15Å; T285-Q288 WeakPolarHBondContact OG1-CG 3.41Å; T285-Q288 PolarHBondContact OG1-N 3.47Å; Q288-T290 VanDerWaalsContact C-N 3.34Å; Q288-T290 PolarHBondContact O-N 3.47Å; Q288-L291 PolarHBondContact O-N 2.63Å; Q288-A292 WeakPolarHBondContact O-CB 3.26Å; Q288-A292 PolarHBondContact O-N 3.44Å; Q288-L325 HydrophobicContact CB-CD1 4.27Å; Q288-L325 HydrophobicContact CG-CD1 3.68Å; Q288-A327 HydrophobicContact CG-CB 4.32Å |
| 289 | H | 97.9 | Very high | 97.1 | Very high | 42 Ų | 42 | 32.2 Ų | 32.2 | 19% | 0.194 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.4 | -42.5 | 177.2 | -174.2 | 69.3 | 0 | 0 | 0 | 112 | S279 V284 T285 E287 A292 K293 | S279-H289 WeakPolarHBondContact CB-ND1 3.46Å; S279-H289 PolarHBondContact OG-CE1 2.93Å; S279-H289 PolarHBondContact OG-ND1 3.46Å; V284-H289 HydrophobicContact CG2-CB 3.9Å; T285-H289 PolarHBondContact O-N 2.96Å; E287-H289 PolarHBondContact O-N 2.96Å; H289-A292 PolarHBondContact O-N 3.3Å; H289-K293 WeakPolarHBondContact NE2-CD 3.48Å; H289-K293 WeakPolarHBondContact O-CG 3.26Å; H289-K293 PolarHBondContact O-N 3.22Å |
| 290 | T | 98.2 | Very high | 97.1 | Very high | 14 Ų | 14 | 32 Ų | 32 | 9% | 0.086 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.4 | -36 | -179.8 | -62.4 | 0 | 0 | 0 | 0 | 112.1 | A286 E287 Q288 K293 Y294 Y373 M379 I381 | A286-T290 VanDerWaalsContact O-CB 3.23Å; A286-T290 WeakPolarHBondContact O-CB 3.3Å; A286-T290 PolarHBondContact O-N 2.93Å; A286-T290 PolarHBondContact O-OG1 3.28Å; E287-T290 PolarHBondContact O-N 2.91Å; Q288-T290 VanDerWaalsContact C-N 3.34Å; Q288-T290 PolarHBondContact O-N 3.47Å; T290-K293 PolarHBondContact O-N 3.43Å; T290-Y294 PolarHBondContact O-N 3.36Å; T290-Y373 HydrophobicContact CG2-CD1 4.48Å; T290-Y373 HydrophobicContact CG2-CE1 4.43Å; T290-M379 HydrophobicContact CG2-CE 3.47Å; T290-M379 VanDerWaalsContact CG2-CE 3.47Å; T290-M379 WeakPolarHBondContact OG1-CE 3.35Å; T290-I381 HydrophobicContact CG2-CB 4.07Å; T290-I381 HydrophobicContact CG2-CG1 4.39Å; T290-I381 HydrophobicContact CG2-CG2 3.87Å |
| 291 | L | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.2 | -48.7 | 171.8 | 177.3 | 58.8 | 0 | 0 | 0 | 110.8 | E287 Q288 K293 Y294 L295 A321 I324 L325 I381 I384 L387 | E287-L291 WeakPolarHBondContact O-CB 3.37Å; E287-L291 PolarHBondContact O-N 3.48Å; Q288-L291 PolarHBondContact O-N 2.63Å; L291-K293 VanDerWaalsContact C-N 3.26Å; L291-K293 PolarHBondContact O-N 3.2Å; L291-Y294 HydrophobicContact CD1-CD1 4.2Å; L291-Y294 WeakPolarHBondContact O-CB 3.38Å; L291-Y294 PolarHBondContact O-N 2.86Å; L291-L295 HydrophobicContact CD1-CD1 4.4Å; L291-L295 HydrophobicContact CD1-CG 4.19Å; L291-L295 HydrophobicContact CG-CD1 4.22Å; L291-L295 HydrophobicContact CG-CG 4.44Å; L291-L295 WeakPolarHBondContact O-CG 3.29Å; L291-L295 PolarHBondContact O-N 3.24Å; L291-A321 HydrophobicContact CB-CB 4.22Å; L291-A321 HydrophobicContact CD2-CB 3.91Å; L291-A321 HydrophobicContact CG-CB 3.86Å; L291-I324 HydrophobicContact CD2-CB 4.2Å; L291-I324 HydrophobicContact CD2-CG2 3.95Å; L291-L325 HydrophobicContact CB-CD1 4.4Å; L291-L325 HydrophobicContact CD2-CD1 3.63Å; L291-L325 HydrophobicContact CD2-CD2 4.06Å; L291-L325 HydrophobicContact CD2-CG 3.58Å; L291-I381 HydrophobicContact CB-CD1 4.13Å; L291-I381 HydrophobicContact CB-CG1 3.74Å; L291-I381 HydrophobicContact CD1-CG1 4.05Å; L291-I381 HydrophobicContact CG-CG1 4.47Å; L291-I384 HydrophobicContact CD1-CD1 4.2Å; L291-I384 HydrophobicContact CD2-CD1 4.15Å; L291-L387 HydrophobicContact CD1-CD2 4.04Å |
| 292 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.6 | -39.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L275 Q288 H289 L295 L296 L318 A321 | L275-A292 HydrophobicContact CD1-CB 3.67Å; L275-A292 HydrophobicContact CD2-CB 4.17Å; Q288-A292 WeakPolarHBondContact O-CB 3.26Å; Q288-A292 PolarHBondContact O-N 3.44Å; H289-A292 PolarHBondContact O-N 3.3Å; A292-L295 PolarHBondContact O-N 3.33Å; A292-L296 VanDerWaalsContact O-CB 3.24Å; A292-L296 WeakPolarHBondContact O-CB 3.24Å; A292-L296 PolarHBondContact O-N 2.98Å; A292-L318 HydrophobicContact CB-CB 4.42Å; A292-L318 HydrophobicContact CB-CD1 4.07Å; A292-A321 HydrophobicContact CB-CB 3.9Å |
| 293 | K | 98.3 | Very high | 97.4 | Very high | 44 Ų | 44 | 29.3 Ų | 29.3 | 19% | 0.191 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 173.1 | -76.8 | 178.5 | 61.8 | -175.7 | 0 | 113.3 | L272 L275 H289 T290 L291 L296 E297 Y373 | L272-K293 HydrophobicContact CD1-CD 4.44Å; L272-K293 HydrophobicContact CD1-CG 4.25Å; L275-K293 HydrophobicContact CD2-CB 4.31Å; L275-K293 HydrophobicContact CD2-CG 3.55Å; H289-K293 WeakPolarHBondContact NE2-CD 3.48Å; H289-K293 WeakPolarHBondContact O-CG 3.26Å; H289-K293 PolarHBondContact O-N 3.22Å; T290-K293 PolarHBondContact O-N 3.43Å; L291-K293 VanDerWaalsContact C-N 3.26Å; L291-K293 PolarHBondContact O-N 3.2Å; K293-L296 PolarHBondContact O-N 3.32Å; K293-E297 PolarHBondContact O-N 3.33Å; K293-Y373 HydrophobicContact CB-CE1 4.29Å |
| 294 | Y | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.7 | -49.9 | 175.5 | 167.3 | -121.7 | 0 | 0 | 0 | 111 | T290 L291 L296 E297 L298 V369 K370 Y373 I381 A382 L387 | T290-Y294 PolarHBondContact O-N 3.36Å; L291-Y294 HydrophobicContact CD1-CD1 4.2Å; L291-Y294 WeakPolarHBondContact O-CB 3.38Å; L291-Y294 PolarHBondContact O-N 2.86Å; Y294-L296 VanDerWaalsContact C-N 3.3Å; Y294-L296 PolarHBondContact O-N 3.4Å; Y294-E297 PolarHBondContact O-N 3.33Å; Y294-L298 HydrophobicContact CD2-CG 4.38Å; Y294-L298 HydrophobicContact CE1-CD1 4.03Å; Y294-L298 HydrophobicContact CE2-CD1 4.01Å; Y294-L298 HydrophobicContact CE2-CD2 3.91Å; Y294-L298 HydrophobicContact CE2-CG 3.92Å; Y294-L298 PolarHBondContact O-N 2.95Å; Y294-L298 VanDerWaalsContact O-N 3.16Å; Y294-V369 HydrophobicContact CD2-CG1 4.14Å; Y294-V369 HydrophobicContact CE2-CG1 4.2Å; Y294-K370 HydrophobicContact CE2-CB 4.47Å; Y294-Y373 HydrophobicContact CD2-CD1 4.3Å; Y294-Y373 AromaticContact CD2-CD2 3.69Å; Y294-Y373 HydrophobicContact CD2-CD2 3.69Å; Y294-Y373 HydrophobicContact CD2-CE2 4.46Å; Y294-Y373 AromaticContact CD2-CG 3.59Å; Y294-Y373 HydrophobicContact CD2-CG 3.59Å; Y294-Y373 HydrophobicContact CG-CD1 4.31Å; Y294-Y373 HydrophobicContact CG-CD2 4.44Å; Y294-Y373 HydrophobicContact CG-CG 4.04Å; Y294-I381 HydrophobicContact CG-CG2 4.33Å; Y294-A382 HydrophobicContact CD1-CB 4.45Å; Y294-A382 HydrophobicContact CD2-CB 4.22Å; Y294-A382 HydrophobicContact CE1-CB 4.03Å; Y294-A382 HydrophobicContact CE2-CB 3.77Å; Y294-L387 HydrophobicContact CD1-CD1 4.4Å; Y294-L387 HydrophobicContact CE1-CD1 3.84Å; Y294-L387 HydrophobicContact CE1-CD2 4.39Å |
| 295 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.3 | -43.6 | 178 | -66.3 | 179.4 | 0 | 0 | 0 | 111.5 | L291 A292 L298 T299 A317 L320 A321 I324 I352 V356 L387 | L291-L295 HydrophobicContact CD1-CD1 4.4Å; L291-L295 HydrophobicContact CD1-CG 4.19Å; L291-L295 HydrophobicContact CG-CD1 4.22Å; L291-L295 HydrophobicContact CG-CG 4.44Å; L291-L295 WeakPolarHBondContact O-CG 3.29Å; L291-L295 PolarHBondContact O-N 3.24Å; A292-L295 PolarHBondContact O-N 3.33Å; L295-L298 PolarHBondContact O-N 3.16Å; L295-T299 WeakPolarHBondContact O-CG2 3.38Å; L295-A317 HydrophobicContact CB-CB 4.19Å; L295-A317 WeakPolarHBondContact CD1-O 3.33Å; L295-L320 HydrophobicContact CD1-CB 4.11Å; L295-L320 HydrophobicContact CD1-CD2 4.08Å; L295-L320 HydrophobicContact CD1-CG 3.97Å; L295-L320 HydrophobicContact CD2-CD2 4.5Å; L295-A321 HydrophobicContact CD1-CB 4.1Å; L295-I324 HydrophobicContact CD1-CD1 4.27Å; L295-I352 HydrophobicContact CB-CG2 3.81Å; L295-I352 HydrophobicContact CD2-CG2 3.95Å; L295-I352 HydrophobicContact CG-CG2 4.32Å; L295-V356 HydrophobicContact CD2-CG2 3.39Å; L295-L387 HydrophobicContact CD2-CD2 4.34Å |
| 296 | L | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.6 | -42.4 | 177.3 | -168.4 | 58.7 | 0 | 0 | 0 | 112.1 | Y193 P271 L275 A292 K293 Y294 L298 T299 V313 A317 | Y193-L296 HydrophobicContact CE1-CG 4.38Å; Y193-L296 VanDerWaalsContact OH-CG 3.29Å; Y193-L296 WeakPolarHBondContact OH-CG 3.19Å; P271-L296 HydrophobicContact CB-CD1 3.8Å; P271-L296 HydrophobicContact CB-CD2 3.86Å; P271-L296 HydrophobicContact CB-CG 4.07Å; L275-L296 HydrophobicContact CB-CD2 4.03Å; L275-L296 HydrophobicContact CD2-CD2 3.75Å; L275-L296 HydrophobicContact CG-CD2 4.49Å; A292-L296 VanDerWaalsContact O-CB 3.24Å; A292-L296 WeakPolarHBondContact O-CB 3.24Å; A292-L296 PolarHBondContact O-N 2.98Å; K293-L296 PolarHBondContact O-N 3.32Å; Y294-L296 VanDerWaalsContact C-N 3.3Å; Y294-L296 PolarHBondContact O-N 3.4Å; L296-L298 VanDerWaalsContact C-N 3.33Å; L296-L298 PolarHBondContact O-N 2.73Å; L296-T299 WeakPolarHBondContact O-CB 3.37Å; L296-T299 PolarHBondContact O-N 3.09Å; L296-T299 PolarHBondContact O-OG1 3.43Å; L296-V313 HydrophobicContact CD1-CB 4.14Å; L296-V313 HydrophobicContact CD1-CG1 3.54Å; L296-A317 HydrophobicContact CB-CB 4.06Å; L296-A317 HydrophobicContact CD1-CB 4.2Å |
| 297 | E | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -69 | -28.8 | 179.3 | -81.3 | -167.8 | -131.8 | 0 | 0 | 113.5 | Q189 Y193 K293 Y294 T299 M300 V369 K372 Y373 | Q189-E297 VanDerWaalsContact CD-CD 3.43Å; Q189-E297 PolarHBondContact NE2-OE1 3.35Å; Q189-E297 PolarHBondContact OE1-OE1 2.81Å; Y193-E297 HydrophobicContact CE2-CG 4.46Å; Y193-E297 WeakPolarHBondContact OH-CG 3.38Å; Y193-E297 PolarHBondContact OH-N 3.48Å; K293-E297 PolarHBondContact O-N 3.33Å; Y294-E297 PolarHBondContact O-N 3.33Å; E297-T299 PolarHBondContact O-N 3.44Å; E297-M300 HydrophobicContact CB-CE 3.88Å; E297-M300 HydrophobicContact CG-CE 3.81Å; E297-M300 WeakPolarHBondContact O-CB 3.31Å; E297-M300 WeakPolarHBondContact O-CE 3.47Å; E297-M300 PolarHBondContact O-N 3.27Å; E297-V369 HydrophobicContact CB-CG1 3.67Å; E297-K372 IonicContact OE1-NZ 3.3Å; E297-K372 PolarHBondContact OE1-NZ 3.09Å; E297-K372 IonicContact OE2-NZ 2.91Å; E297-K372 PolarHBondContact OE2-NZ 3.18Å; E297-Y373 HydrophobicContact CB-CE2 4.23Å; E297-Y373 VanDerWaalsContact CD-CE2 3.43Å; E297-Y373 HydrophobicContact CG-CE2 4.23Å; E297-Y373 VanDerWaalsContact OE1-CE2 3.24Å; E297-Y373 WeakPolarHBondContact OE1-CE2 3.46Å; E297-Y373 VanDerWaalsContact OE1-CZ 3.27Å; E297-Y373 PolarHBondContact OE1-OH 2.95Å |
| 298 | L | 98 | Very high | 97.3 | Very high | 10 Ų | 10 | 19.9 Ų | 19.9 | 5% | 0.052 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.5 | -29.9 | 173.8 | -70.2 | 178.5 | 0 | 0 | 0 | 112.1 | Y294 L295 L296 M300 V301 N355 V356 V359 V369 | Y294-L298 HydrophobicContact CD2-CG 4.38Å; Y294-L298 HydrophobicContact CE1-CD1 4.03Å; Y294-L298 HydrophobicContact CE2-CD1 4.01Å; Y294-L298 HydrophobicContact CE2-CD2 3.91Å; Y294-L298 HydrophobicContact CE2-CG 3.92Å; Y294-L298 PolarHBondContact O-N 2.95Å; Y294-L298 VanDerWaalsContact O-N 3.16Å; L295-L298 PolarHBondContact O-N 3.16Å; L296-L298 VanDerWaalsContact C-N 3.33Å; L296-L298 PolarHBondContact O-N 2.73Å; L298-M300 VanDerWaalsContact C-N 3.26Å; L298-M300 PolarHBondContact O-N 3.36Å; L298-V301 PolarHBondContact O-N 3.36Å; L298-N355 HydrophobicContact CB-CB 4.36Å; L298-V356 HydrophobicContact CD1-CG2 3.83Å; L298-V359 HydrophobicContact CD2-CG2 4.22Å; L298-V369 HydrophobicContact CD2-CB 4.07Å; L298-V369 HydrophobicContact CD2-CG1 3.84Å; L298-V369 HydrophobicContact CG-CG1 4.3Å |
| 299 | T | 97.6 | Very high | 97.2 | Very high | 15 Ų | 15 | 20.1 Ų | 20.1 | 9% | 0.092 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.6 | -25 | -179 | 73.5 | 0 | 0 | 0 | 0 | 113.1 | L295 L296 E297 V301 D302 M305 V313 I352 | L295-T299 WeakPolarHBondContact O-CG2 3.38Å; L296-T299 WeakPolarHBondContact O-CB 3.37Å; L296-T299 PolarHBondContact O-N 3.09Å; L296-T299 PolarHBondContact O-OG1 3.43Å; E297-T299 PolarHBondContact O-N 3.44Å; T299-V301 PolarHBondContact O-N 3.24Å; T299-D302 PolarHBondContact O-N 3.37Å; T299-M305 HydrophobicContact CG2-CE 3.72Å; T299-M305 HydrophobicContact CG2-SD 3.75Å; T299-V313 HydrophobicContact CG2-CG1 3.65Å; T299-I352 HydrophobicContact CG2-CD1 4.25Å; T299-I352 HydrophobicContact CG2-CG1 3.76Å |
| 300 | M | 97.2 | Very high | 97.2 | Very high | 8 Ų | 8 | 18.1 Ų | 18.1 | 4% | 0.039 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -33.2 | 179.3 | -64.8 | -171.3 | -63.1 | 0 | 0 | 112 | R171 I175 V179 M192 Y193 V196 E297 L298 | R171-M300 PolarHBondContact NH1-O 2.92Å; R171-M300 PolarHBondContact NH2-O 2.64Å; I175-M300 HydrophobicContact CG2-CB 4.08Å; V179-M300 HydrophobicContact CG2-CE 4.28Å; M192-M300 HydrophobicContact CG-CE 3.93Å; M192-M300 HydrophobicContact CG-SD 3.9Å; Y193-M300 HydrophobicContact CD1-CG 3.92Å; Y193-M300 HydrophobicContact CD1-SD 3.57Å; Y193-M300 VanDerWaalsContact CD1-SD 3.57Å; Y193-M300 HydrophobicContact CE1-CG 3.64Å; Y193-M300 HydrophobicContact CE1-SD 3.54Å; Y193-M300 VanDerWaalsContact CE1-SD 3.54Å; Y193-M300 HydrophobicContact CG-SD 4.25Å; V196-M300 HydrophobicContact CG2-CB 4.24Å; V196-M300 HydrophobicContact CG2-CG 4.37Å; V196-M300 HydrophobicContact CG2-SD 4.04Å; E297-M300 HydrophobicContact CB-CE 3.88Å; E297-M300 HydrophobicContact CG-CE 3.81Å; E297-M300 WeakPolarHBondContact O-CB 3.31Å; E297-M300 WeakPolarHBondContact O-CE 3.47Å; E297-M300 PolarHBondContact O-N 3.27Å; L298-M300 VanDerWaalsContact C-N 3.26Å; L298-M300 PolarHBondContact O-N 3.36Å |
| 301 | V | 96.6 | Very high | 97.2 | Very high | 20 Ų | 20 | 17.5 Ų | 17.5 | 12% | 0.121 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -29.1 | -177.3 | -174.8 | 0 | 0 | 0 | 0 | 111.5 | A172 I175 L298 T299 Y303 H366 V369 | A172-V301 HydrophobicContact CB-CG1 3.71Å; I175-V301 HydrophobicContact CG2-CG2 4.17Å; L298-V301 PolarHBondContact O-N 3.36Å; T299-V301 PolarHBondContact O-N 3.24Å; V301-Y303 PolarHBondContact O-N 3.45Å; V301-H366 HydrophobicContact CG1-CB 3.92Å; V301-V369 HydrophobicContact CG2-CG2 4.49Å |
| 302 | D | 96.1 | Very high | 97.1 | Very high | 14 Ų | 14 | 19 Ų | 19 | 8% | 0.075 | 9% | 0.094 | C | C | . | . | trans | -80 | 112.1 | -175.7 | -168.6 | -1.1 | 0 | 0 | 0 | 111.9 | T299 E304 M305 K354 N355 | T299-D302 PolarHBondContact O-N 3.37Å; D302-E304 VanDerWaalsContact C-N 3.27Å; D302-E304 PolarHBondContact O-N 3.2Å; D302-E304 PolarHBondContact OD1-N 3.01Å; D302-M305 HydrophobicContact CB-CB 4.4Å; D302-M305 HydrophobicContact CB-CG 4.1Å; D302-M305 HydrophobicContact CB-SD 4.27Å; D302-M305 PolarHBondContact O-N 2.82Å; D302-K354 IonicContact OD1-NZ 2.67Å; D302-K354 WeakPolarHBondContact OD2-CE 3.4Å; D302-K354 IonicContact OD2-NZ 3.71Å; D302-K354 PolarHBondContact OD2-NZ 2.98Å; D302-N355 VanDerWaalsContact CB-ND2 3.27Å; D302-N355 WeakPolarHBondContact CB-ND2 3.5Å; D302-N355 PolarHBondContact OD2-ND2 3.01Å; D302-N355 PolarHBondContact OD2-OD1 3.31Å; D302-N355 VanDerWaalsContact OD2-OD1 3.12Å | ||
| 303 | Y | 96.8 | Very high | 97.1 | Very high | 27 Ų | 27 | 19.4 Ų | 19.4 | 11% | 0.106 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -66.6 | -27.6 | 178.8 | 178.3 | -107.3 | 0 | 0 | 0 | 113.1 | N159 Y160 L161 S168 V301 M305 I306 | N159-Y303 WeakPolarHBondContact CA-OH 3.43Å; N159-Y303 PolarHBondContact O-OH 2.83Å; Y160-Y303 HydrophobicContact CD1-CE2 4.19Å; Y160-Y303 AromaticContact CE1-CE2 3.86Å; Y160-Y303 HydrophobicContact CE1-CE2 3.86Å; Y160-Y303 PolarHBondContact N-OH 2.9Å; L161-Y303 HydrophobicContact CB-CE2 4.1Å; L161-Y303 VanDerWaalsContact CB-OH 3.31Å; L161-Y303 WeakPolarHBondContact CB-OH 3.17Å; L161-Y303 HydrophobicContact CD1-CD2 3.99Å; L161-Y303 HydrophobicContact CD1-CE2 3.55Å; L161-Y303 HydrophobicContact CG-CE2 3.74Å; L161-Y303 PolarHBondContact N-OH 2.98Å; S168-Y303 VanDerWaalsContact CB-CD1 3.44Å; V301-Y303 PolarHBondContact O-N 3.45Å; Y303-M305 PolarHBondContact O-N 3.34Å; Y303-I306 HydrophobicContact CD2-CD1 3.77Å; Y303-I306 HydrophobicContact CD2-CG2 4.3Å; Y303-I306 HydrophobicContact CE2-CD1 3.44Å; Y303-I306 VanDerWaalsContact CE2-CD1 3.44Å; Y303-I306 VanDerWaalsContact O-CG1 3.26Å; Y303-I306 WeakPolarHBondContact O-CG1 3.29Å |
| 304 | E | 95.1 | Very high | 97.1 | Very high | 85 Ų | 85 | 17.3 Ų | 17.3 | 40% | 0.397 | 9% | 0.087 | S | C | . | . | G | 310 helix | trans | -67 | -22.4 | 178.5 | -68 | 167.4 | -139.9 | 0 | 0 | 111.7 | D302 H307 H351 K354 | D302-E304 VanDerWaalsContact C-N 3.27Å; D302-E304 PolarHBondContact O-N 3.2Å; D302-E304 PolarHBondContact OD1-N 3.01Å; E304-H307 PolarHBondContact O-CE1 3.08Å; E304-H307 PolarHBondContact O-ND1 2.82Å; E304-H351 IonicContact OE2-CE1 3.68Å; E304-H351 PolarHBondContact OE2-CE1 3.39Å; E304-H351 IonicContact OE2-ND1 3.71Å; E304-H351 PolarHBondContact OE2-ND1 2.91Å; E304-K354 IonicContact OE1-NZ 2.82Å; E304-K354 PolarHBondContact OE1-NZ 3.07Å; E304-K354 IonicContact OE2-NZ 2.87Å; E304-K354 PolarHBondContact OE2-NZ 3.38Å |
| 305 | M | 95.9 | Very high | 97.1 | Very high | 6 Ų | 6 | 17.3 Ų | 17.3 | 3% | 0.03 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -95.1 | -4.8 | -172.9 | -65 | -169.7 | 76.6 | 0 | 0 | 115.1 | T299 D302 Y303 H307 F308 V313 V348 H351 I352 | T299-M305 HydrophobicContact CG2-CE 3.72Å; T299-M305 HydrophobicContact CG2-SD 3.75Å; D302-M305 HydrophobicContact CB-CB 4.4Å; D302-M305 HydrophobicContact CB-CG 4.1Å; D302-M305 HydrophobicContact CB-SD 4.27Å; D302-M305 PolarHBondContact O-N 2.82Å; Y303-M305 PolarHBondContact O-N 3.34Å; M305-H307 PolarHBondContact O-N 3.44Å; M305-H307 VanDerWaalsContact O-N 3.1Å; M305-F308 HydrophobicContact CB-CD2 4.05Å; M305-F308 HydrophobicContact CE-CD2 4.4Å; M305-F308 HydrophobicContact CG-CD2 4.33Å; M305-F308 HydrophobicContact CG-CE2 4.39Å; M305-F308 WeakPolarHBondContact O-CD2 3.19Å; M305-F308 PolarHBondContact O-N 3.22Å; M305-F308 VanDerWaalsContact O-N 3.17Å; M305-V313 HydrophobicContact CE-CG1 4.36Å; M305-V348 HydrophobicContact CE-CG1 3.63Å; M305-H351 HydrophobicContact CE-CB 3.92Å; M305-H351 HydrophobicContact CG-CB 3.83Å; M305-H351 HydrophobicContact SD-CB 3.7Å; M305-I352 HydrophobicContact CE-CD1 4.34Å; M305-I352 HydrophobicContact CE-CG1 3.61Å; M305-I352 HydrophobicContact SD-CG1 4.28Å |
| 306 | I | 95.1 | Very high | 97.1 | Very high | 14 Ų | 14 | 17.3 Ų | 17.3 | 7% | 0.072 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -27.2 | -171.6 | 60.6 | 177.8 | 0 | 0 | 0 | 114.7 | V156 Y160 Y303 | V156-I306 HydrophobicContact CG1-CB 4.28Å; V156-I306 HydrophobicContact CG1-CD1 4.03Å; V156-I306 HydrophobicContact CG1-CG1 4.28Å; Y160-I306 HydrophobicContact CD1-CD1 3.4Å; Y160-I306 VanDerWaalsContact CD1-CD1 3.4Å; Y160-I306 HydrophobicContact CE1-CD1 3.33Å; Y303-I306 HydrophobicContact CD2-CD1 3.77Å; Y303-I306 HydrophobicContact CD2-CG2 4.3Å; Y303-I306 HydrophobicContact CE2-CD1 3.44Å; Y303-I306 VanDerWaalsContact CE2-CD1 3.44Å; Y303-I306 VanDerWaalsContact O-CG1 3.26Å; Y303-I306 WeakPolarHBondContact O-CG1 3.29Å |
| 307 | H | 95.4 | Very high | 97.1 | Very high | 59 Ų | 59 | 17.3 Ų | 17.3 | 27% | 0.273 | 9% | 0.087 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -12.6 | -172.9 | 68 | -81.2 | 0 | 0 | 0 | 112.3 | N155 V156 P158 E304 M305 | N155-H307 PolarHBondContact OD1-O 3.38Å; V156-H307 WeakPolarHBondContact O-CA 3.48Å; P158-H307 HydrophobicContact CB-CB 3.87Å; P158-H307 HydrophobicContact CG-CB 4.43Å; E304-H307 PolarHBondContact O-CE1 3.08Å; E304-H307 PolarHBondContact O-ND1 2.82Å; M305-H307 PolarHBondContact O-N 3.44Å; M305-H307 VanDerWaalsContact O-N 3.1Å |
| 308 | F | 96.6 | Very high | 97.1 | Very high | 31 Ų | 31 | 17.3 Ų | 17.3 | 14% | 0.136 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -71.3 | 135 | 175.3 | -67.9 | -62.6 | 0 | 0 | 0 | 109.9 | M305 M312 V313 V348 | M305-F308 HydrophobicContact CB-CD2 4.05Å; M305-F308 HydrophobicContact CE-CD2 4.4Å; M305-F308 HydrophobicContact CG-CD2 4.33Å; M305-F308 HydrophobicContact CG-CE2 4.39Å; M305-F308 WeakPolarHBondContact O-CD2 3.19Å; M305-F308 PolarHBondContact O-N 3.22Å; M305-F308 VanDerWaalsContact O-N 3.17Å; F308-M312 HydrophobicContact CD1-SD 4.01Å; F308-V313 HydrophobicContact CB-CG2 3.54Å; F308-V348 HydrophobicContact CD1-CG2 3.65Å; F308-V348 HydrophobicContact CD2-CG2 4.23Å; F308-V348 HydrophobicContact CE1-CG2 3.68Å; F308-V348 HydrophobicContact CE2-CG2 4.26Å; F308-V348 HydrophobicContact CG-CG2 3.95Å; F308-V348 HydrophobicContact CZ-CG2 4Å |
| 309 | P | 96.6 | Very high | 97.1 | Very high | 33 Ų | 33 | 17.1 Ų | 17.1 | 21% | 0.214 | 9% | 0.086 | C | C | . | . | trans | -58.2 | 138.7 | 175.5 | -24.3 | 33.6 | 0 | 0 | 0 | 111.5 | E151 S311 M312 V313 | E151-P309 HydrophobicContact CG-CB 4.4Å; P309-S311 PolarHBondContact O-N 3.47Å; P309-S311 VanDerWaalsContact O-N 3.07Å; P309-M312 HydrophobicContact CB-CB 4.47Å; P309-M312 PolarHBondContact O-N 3.33Å; P309-V313 WeakPolarHBondContact O-CG2 3.29Å; P309-V313 PolarHBondContact O-N 3.31Å; P309-V313 VanDerWaalsContact O-N 3.11Å | ||
| 310 | P | 97.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.006 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -44.4 | -40.2 | 174.5 | -33 | 37.3 | 0 | 0 | 0 | 114.4 | E151 P269 P271 F274 A314 | E151-P310 HydrophobicContact CB-CG 4.34Å; E151-P310 WeakPolarHBondContact OE2-CD 3.15Å; P269-P310 WeakPolarHBondContact O-CG 3.49Å; P271-P310 HydrophobicContact CB-CB 4.27Å; P271-P310 HydrophobicContact CG-CB 3.82Å; P271-P310 HydrophobicContact CG-CG 4.5Å; F274-P310 HydrophobicContact CD2-CB 4.14Å; F274-P310 HydrophobicContact CE2-CB 4.07Å; P310-A314 WeakPolarHBondContact O-CB 3.45Å; P310-A314 PolarHBondContact O-N 3.37Å |
| 311 | S | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.6 | -43.8 | 177.5 | 63.5 | 0 | 0 | 0 | 0 | 113.7 | R148 E151 P309 A314 S315 Y340 | R148-S311 PolarHBondContact NH1-OG 3.21Å; E151-S311 WeakPolarHBondContact OE1-CB 3.26Å; E151-S311 PolarHBondContact OE1-OG 3.11Å; E151-S311 VanDerWaalsContact OE2-CB 3.22Å; E151-S311 WeakPolarHBondContact OE2-CB 3.36Å; E151-S311 PolarHBondContact OE2-N 3.01Å; E151-S311 PolarHBondContact OE2-OG 2.95Å; P309-S311 PolarHBondContact O-N 3.47Å; P309-S311 VanDerWaalsContact O-N 3.07Å; S311-A314 PolarHBondContact O-N 3.48Å; S311-S315 PolarHBondContact O-N 3.33Å; S311-S315 PolarHBondContact O-OG 3.21Å; S311-Y340 PolarHBondContact OG-OH 2.82Å |
| 312 | M | 97.8 | Very high | 97.2 | Very high | 33 Ų | 33 | 15.1 Ų | 15.1 | 16% | 0.163 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -67.6 | -43.2 | 179.8 | -171.4 | 179.2 | -94.3 | 0 | 0 | 110.6 | F308 P309 A314 S315 A316 Y340 L345 V348 | F308-M312 HydrophobicContact CD1-SD 4.01Å; P309-M312 HydrophobicContact CB-CB 4.47Å; P309-M312 PolarHBondContact O-N 3.33Å; M312-A314 VanDerWaalsContact C-N 3.31Å; M312-A314 PolarHBondContact O-N 2.93Å; M312-S315 PolarHBondContact O-N 3.42Å; M312-A316 VanDerWaalsContact O-CB 3.31Å; M312-A316 WeakPolarHBondContact O-CB 3.24Å; M312-A316 PolarHBondContact O-N 3.42Å; M312-Y340 VanDerWaalsContact CA-CE2 3.5Å; M312-Y340 HydrophobicContact CB-CE1 4.26Å; M312-Y340 HydrophobicContact CB-CE2 3.9Å; M312-Y340 HydrophobicContact CE-CD1 3.8Å; M312-Y340 HydrophobicContact CE-CE1 3.38Å; M312-Y340 HydrophobicContact CG-CE1 4.28Å; M312-Y340 HydrophobicContact CG-CE2 4.43Å; M312-L345 HydrophobicContact CG-CD2 4.06Å; M312-V348 HydrophobicContact CG-CG2 3.91Å; M312-V348 HydrophobicContact SD-CG2 3.65Å |
| 313 | V | 97.9 | Very high | 97.2 | Very high | 7 Ų | 7 | 18.5 Ų | 18.5 | 4% | 0.042 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.7 | -40.7 | 177.4 | -170.7 | 0 | 0 | 0 | 0 | 111 | L296 T299 M305 F308 P309 A317 V348 | L296-V313 HydrophobicContact CD1-CB 4.14Å; L296-V313 HydrophobicContact CD1-CG1 3.54Å; T299-V313 HydrophobicContact CG2-CG1 3.65Å; M305-V313 HydrophobicContact CE-CG1 4.36Å; F308-V313 HydrophobicContact CB-CG2 3.54Å; P309-V313 WeakPolarHBondContact O-CG2 3.29Å; P309-V313 PolarHBondContact O-N 3.31Å; P309-V313 VanDerWaalsContact O-N 3.11Å; V313-A317 VanDerWaalsContact O-CB 3.26Å; V313-A317 WeakPolarHBondContact O-CB 3.48Å; V313-A317 PolarHBondContact O-N 3.31Å; V313-V348 HydrophobicContact CG2-CG1 4.47Å |
| 314 | A | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.4 | -45.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | P271 F274 L275 P310 S311 M312 A317 L318 | P271-A314 VanDerWaalsContact O-CB 3.3Å; P271-A314 WeakPolarHBondContact O-CB 3.26Å; F274-A314 HydrophobicContact CB-CB 3.62Å; L275-A314 HydrophobicContact CB-CB 4.11Å; P310-A314 WeakPolarHBondContact O-CB 3.45Å; P310-A314 PolarHBondContact O-N 3.37Å; S311-A314 PolarHBondContact O-N 3.48Å; M312-A314 VanDerWaalsContact C-N 3.31Å; M312-A314 PolarHBondContact O-N 2.93Å; A314-A317 PolarHBondContact O-N 2.99Å; A314-L318 PolarHBondContact O-N 2.83Å; A314-L318 VanDerWaalsContact O-N 3.08Å |
| 315 | S | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.3 | -46.5 | 176.5 | -66.9 | 0 | 0 | 0 | 0 | 112 | S311 M312 A317 L318 A319 W330 M338 | S311-S315 PolarHBondContact O-N 3.33Å; S311-S315 PolarHBondContact O-OG 3.21Å; M312-S315 PolarHBondContact O-N 3.42Å; S315-A317 PolarHBondContact O-N 2.74Å; S315-L318 PolarHBondContact O-N 2.97Å; S315-A319 WeakPolarHBondContact O-CB 3.37Å; S315-A319 PolarHBondContact O-N 3.43Å; S315-W330 VanDerWaalsContact CB-CH2 3.5Å; S315-M338 WeakPolarHBondContact OG-CE 3.24Å |
| 316 | A | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.5 | -39.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | M312 L318 A319 L320 L345 V348 M349 I352 | M312-A316 VanDerWaalsContact O-CB 3.31Å; M312-A316 WeakPolarHBondContact O-CB 3.24Å; M312-A316 PolarHBondContact O-N 3.42Å; A316-L318 VanDerWaalsContact C-N 3.33Å; A316-L318 PolarHBondContact O-N 3.47Å; A316-A319 PolarHBondContact O-N 3.22Å; A316-L320 VanDerWaalsContact O-CB 3.26Å; A316-L320 WeakPolarHBondContact O-CB 3.26Å; A316-L320 PolarHBondContact O-N 3.45Å; A316-L345 HydrophobicContact CB-CB 4.34Å; A316-L345 HydrophobicContact CB-CD2 4.27Å; A316-V348 HydrophobicContact CB-CB 3.66Å; A316-V348 HydrophobicContact CB-CG1 3.51Å; A316-M349 HydrophobicContact CB-CG 3.88Å; A316-I352 HydrophobicContact CB-CD1 4.06Å |
| 317 | A | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63 | -40 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L295 L296 V313 A314 S315 A321 I352 | L295-A317 HydrophobicContact CB-CB 4.19Å; L295-A317 WeakPolarHBondContact CD1-O 3.33Å; L296-A317 HydrophobicContact CB-CB 4.06Å; L296-A317 HydrophobicContact CD1-CB 4.2Å; V313-A317 VanDerWaalsContact O-CB 3.26Å; V313-A317 WeakPolarHBondContact O-CB 3.48Å; V313-A317 PolarHBondContact O-N 3.31Å; A314-A317 PolarHBondContact O-N 2.99Å; S315-A317 PolarHBondContact O-N 2.74Å; A317-A321 WeakPolarHBondContact O-CB 3.43Å; A317-A321 PolarHBondContact O-N 2.65Å; A317-I352 HydrophobicContact CB-CD1 4.08Å |
| 318 | L | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -69.9 | -48.5 | 175.2 | -178.6 | 62.3 | 0 | 0 | 0 | 111.9 | L275 A278 V284 A292 A314 S315 A316 L320 A321 L322 L334 | L275-L318 HydrophobicContact CD1-CB 3.98Å; A278-L318 HydrophobicContact CB-CD2 3.45Å; A278-L318 VanDerWaalsContact CB-CD2 3.45Å; V284-L318 HydrophobicContact CG1-CD1 3.83Å; V284-L318 HydrophobicContact CG1-CD2 4.39Å; A292-L318 HydrophobicContact CB-CB 4.42Å; A292-L318 HydrophobicContact CB-CD1 4.07Å; A314-L318 PolarHBondContact O-N 2.83Å; A314-L318 VanDerWaalsContact O-N 3.08Å; S315-L318 PolarHBondContact O-N 2.97Å; A316-L318 VanDerWaalsContact C-N 3.33Å; A316-L318 PolarHBondContact O-N 3.47Å; L318-L320 PolarHBondContact O-N 2.9Å; L318-A321 WeakPolarHBondContact O-CA 3.39Å; L318-A321 WeakPolarHBondContact O-CB 3.34Å; L318-A321 PolarHBondContact O-N 3.39Å; L318-L322 HydrophobicContact CD1-CG 4.4Å; L318-L322 HydrophobicContact CG-CD1 4.4Å; L318-L322 HydrophobicContact CG-CG 4.47Å; L318-L322 WeakPolarHBondContact O-CG 3.4Å; L318-L322 PolarHBondContact O-N 3.1Å; L318-L334 HydrophobicContact CD2-CD2 4.45Å |
| 319 | A | 98.1 | Very high | 96.7 | Very high | 6 Ų | 6 | 27 Ų | 27 | 5% | 0.05 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.1 | -41.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S315 A316 L322 K323 W330 L345 M349 | S315-A319 WeakPolarHBondContact O-CB 3.37Å; S315-A319 PolarHBondContact O-N 3.43Å; A316-A319 PolarHBondContact O-N 3.22Å; A319-L322 PolarHBondContact O-N 3.05Å; A319-K323 PolarHBondContact O-N 2.7Å; A319-K323 VanDerWaalsContact O-N 3.11Å; A319-W330 HydrophobicContact CB-CE3 3.76Å; A319-W330 HydrophobicContact CB-CZ3 4.3Å; A319-L345 HydrophobicContact CB-CD1 4.06Å; A319-M349 HydrophobicContact CB-CE 4.37Å; A319-M349 HydrophobicContact CB-SD 3.78Å |
| 320 | L | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67 | -40.7 | 174.6 | -176.5 | 57.5 | 0 | 0 | 0 | 112.3 | L295 A316 L318 L322 K323 I324 M349 I352 A353 L395 | L295-L320 HydrophobicContact CD1-CB 4.11Å; L295-L320 HydrophobicContact CD1-CD2 4.08Å; L295-L320 HydrophobicContact CD1-CG 3.97Å; L295-L320 HydrophobicContact CD2-CD2 4.5Å; A316-L320 VanDerWaalsContact O-CB 3.26Å; A316-L320 WeakPolarHBondContact O-CB 3.26Å; A316-L320 PolarHBondContact O-N 3.45Å; L318-L320 PolarHBondContact O-N 2.9Å; L320-L322 VanDerWaalsContact C-N 3.32Å; L320-L322 PolarHBondContact O-N 2.76Å; L320-K323 PolarHBondContact O-N 3.46Å; L320-I324 HydrophobicContact CD1-CD1 3.91Å; L320-I324 HydrophobicContact CD1-CG1 4.03Å; L320-I324 HydrophobicContact CD2-CD1 4.35Å; L320-I324 HydrophobicContact CG-CD1 3.7Å; L320-I324 HydrophobicContact CG-CG1 4.27Å; L320-I324 WeakPolarHBondContact O-CB 3.21Å; L320-I324 VanDerWaalsContact O-CG1 3.23Å; L320-I324 WeakPolarHBondContact O-CG1 3.19Å; L320-I324 PolarHBondContact O-N 3.29Å; L320-M349 HydrophobicContact CB-CE 3.93Å; L320-M349 HydrophobicContact CB-CG 4.22Å; L320-M349 HydrophobicContact CD1-CE 4.03Å; L320-I352 HydrophobicContact CD2-CB 3.88Å; L320-I352 HydrophobicContact CD2-CG2 3.57Å; L320-A353 HydrophobicContact CD2-CB 4.34Å; L320-L395 HydrophobicContact CD1-CD1 3.56Å |
| 321 | A | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | L291 A292 L295 A317 L318 I324 L325 | L291-A321 HydrophobicContact CB-CB 4.22Å; L291-A321 HydrophobicContact CD2-CB 3.91Å; L291-A321 HydrophobicContact CG-CB 3.86Å; A292-A321 HydrophobicContact CB-CB 3.9Å; L295-A321 HydrophobicContact CD1-CB 4.1Å; A317-A321 WeakPolarHBondContact O-CB 3.43Å; A317-A321 PolarHBondContact O-N 2.65Å; L318-A321 WeakPolarHBondContact O-CA 3.39Å; L318-A321 WeakPolarHBondContact O-CB 3.34Å; L318-A321 PolarHBondContact O-N 3.39Å; A321-I324 PolarHBondContact O-N 2.93Å; A321-L325 WeakPolarHBondContact O-CB 3.26Å; A321-L325 WeakPolarHBondContact O-CG 3.27Å; A321-L325 PolarHBondContact O-N 3.11Å; A321-L325 VanDerWaalsContact O-N 3.1Å |
| 322 | L | 97.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62 | -46.8 | 175.9 | -65.5 | 177.2 | 0 | 0 | 0 | 111.5 | Y282 V284 L318 A319 L320 I324 L325 D326 A327 | Y282-L322 HydrophobicContact CD1-CD1 3.92Å; Y282-L322 HydrophobicContact CD1-CD2 3.84Å; Y282-L322 HydrophobicContact CD2-CD1 4.26Å; Y282-L322 HydrophobicContact CE1-CD1 3.67Å; Y282-L322 HydrophobicContact CE1-CD2 3.42Å; Y282-L322 VanDerWaalsContact CE1-CD2 3.42Å; Y282-L322 HydrophobicContact CE1-CG 4.19Å; Y282-L322 HydrophobicContact CE2-CD1 4.01Å; Y282-L322 HydrophobicContact CG-CD1 4.2Å; V284-L322 HydrophobicContact CG1-CD2 4.46Å; L318-L322 HydrophobicContact CD1-CG 4.4Å; L318-L322 HydrophobicContact CG-CD1 4.4Å; L318-L322 HydrophobicContact CG-CG 4.47Å; L318-L322 WeakPolarHBondContact O-CG 3.4Å; L318-L322 PolarHBondContact O-N 3.1Å; A319-L322 PolarHBondContact O-N 3.05Å; L320-L322 VanDerWaalsContact C-N 3.32Å; L320-L322 PolarHBondContact O-N 2.76Å; L322-I324 PolarHBondContact O-N 3.01Å; L322-L325 PolarHBondContact O-N 3.11Å; L322-D326 PolarHBondContact O-N 3.06Å; L322-A327 HydrophobicContact CD2-CB 3.91Å; L322-A327 PolarHBondContact O-N 3.41Å |
| 323 | K | 96.4 | Very high | 95.9 | Very high | 85 Ų | 85 | 33.7 Ų | 33.7 | 37% | 0.37 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.9 | -37.8 | 176.4 | -72.7 | -167 | -177.2 | -75.4 | 0 | 113.4 | A319 L320 L325 M349 V391 | A319-K323 PolarHBondContact O-N 2.7Å; A319-K323 VanDerWaalsContact O-N 3.11Å; L320-K323 PolarHBondContact O-N 3.46Å; K323-L325 VanDerWaalsContact C-N 3.34Å; K323-M349 HydrophobicContact CD-CE 3.78Å; K323-M349 HydrophobicContact CG-CE 4.5Å; K323-V391 HydrophobicContact CB-CG1 4.45Å |
| 324 | I | 97.1 | Very high | 95.7 | Very high | 10 Ų | 10 | 33.3 Ų | 33.3 | 5% | 0.051 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.2 | -36 | 179.6 | -72.6 | 170.7 | 0 | 0 | 0 | 111.5 | L291 L295 L320 A321 L322 Q386 L387 V392 | L291-I324 HydrophobicContact CD2-CB 4.2Å; L291-I324 HydrophobicContact CD2-CG2 3.95Å; L295-I324 HydrophobicContact CD1-CD1 4.27Å; L320-I324 HydrophobicContact CD1-CD1 3.91Å; L320-I324 HydrophobicContact CD1-CG1 4.03Å; L320-I324 HydrophobicContact CD2-CD1 4.35Å; L320-I324 HydrophobicContact CG-CD1 3.7Å; L320-I324 HydrophobicContact CG-CG1 4.27Å; L320-I324 WeakPolarHBondContact O-CB 3.21Å; L320-I324 VanDerWaalsContact O-CG1 3.23Å; L320-I324 WeakPolarHBondContact O-CG1 3.19Å; L320-I324 PolarHBondContact O-N 3.29Å; A321-I324 PolarHBondContact O-N 2.93Å; L322-I324 PolarHBondContact O-N 3.01Å; I324-Q386 HydrophobicContact CG2-CB 3.59Å; I324-L387 HydrophobicContact CD1-CD2 4.12Å; I324-V392 HydrophobicContact CD1-CG2 3.67Å; I324-V392 HydrophobicContact CG1-CG2 3.7Å |
| 325 | L | 96.6 | Very high | 95.6 | Very high | 35 Ų | 35 | 37.4 Ų | 37.4 | 18% | 0.183 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 3.7 | -177.7 | -64.8 | 176.1 | 0 | 0 | 0 | 113.6 | E287 Q288 L291 A321 L322 K323 A327 I384 | E287-L325 HydrophobicContact CG-CD1 4.28Å; Q288-L325 HydrophobicContact CB-CD1 4.27Å; Q288-L325 HydrophobicContact CG-CD1 3.68Å; L291-L325 HydrophobicContact CB-CD1 4.4Å; L291-L325 HydrophobicContact CD2-CD1 3.63Å; L291-L325 HydrophobicContact CD2-CD2 4.06Å; L291-L325 HydrophobicContact CD2-CG 3.58Å; A321-L325 WeakPolarHBondContact O-CB 3.26Å; A321-L325 WeakPolarHBondContact O-CG 3.27Å; A321-L325 PolarHBondContact O-N 3.11Å; A321-L325 VanDerWaalsContact O-N 3.1Å; L322-L325 PolarHBondContact O-N 3.11Å; K323-L325 VanDerWaalsContact C-N 3.34Å; L325-A327 HydrophobicContact CB-CB 4.29Å; L325-A327 PolarHBondContact O-N 2.89Å; L325-I384 HydrophobicContact CD2-CD1 3.98Å |
| 326 | D | 94.4 | Very high | 95.3 | Very high | 154 Ų | 154 | 41 Ų | 41 | 82% | 0.824 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 43.1 | -175.1 | -161.4 | 31.6 | 0 | 0 | 0 | 112.3 | L322 | L322-D326 PolarHBondContact O-N 3.06Š|
| 327 | A | 92.9 | Very high | 95.1 | Very high | 26 Ų | 26 | 42.8 Ų | 42.8 | 22% | 0.215 | 23% | 0.227 | C | C | . | . | trans | -102.1 | 20.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y282 Q288 L322 L325 | Y282-A327 PolarHBondContact OH-O 3.44Å; Q288-A327 HydrophobicContact CG-CB 4.32Å; L322-A327 HydrophobicContact CD2-CB 3.91Å; L322-A327 PolarHBondContact O-N 3.41Å; L325-A327 HydrophobicContact CB-CB 4.29Å; L325-A327 PolarHBondContact O-N 2.89Å | ||
| 328 | G | 91.4 | Very high | 95 | Very high | 36 Ų | 36 | 42.8 Ų | 42.8 | 37% | 0.371 | 23% | 0.227 | S | C | . | . | trans | 100 | -170.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y282 | Y282-G328 WeakPolarHBondContact OH-CA 3.5Š| ||
| 329 | E | 91.1 | Very high | 94.8 | Very high | 141 Ų | 141 | 48.5 Ų | 48.5 | 66% | 0.659 | 26% | 0.258 | S | S | * | . | trans | -115.2 | 172 | -170.3 | -58.3 | -157.6 | 132.4 | 0 | 0 | 112.5 | Y282 D331 | Y282-E329 VanDerWaalsContact CE2-O 3.31Å; Y282-E329 WeakPolarHBondContact CE2-O 3.19Å; E329-D331 PolarHBondContact O-N 3.45Å; E329-D331 VanDerWaalsContact O-N 3.1Å | ||
| 330 | W | 94.9 | Very high | 94.7 | Very high | 29 Ų | 29 | 49.7 Ų | 49.7 | 11% | 0.11 | 26% | 0.261 | C | S | . | . | trans | -72.7 | 100.3 | 173 | -173.2 | -94.4 | 0 | 0 | 0 | 109.4 | S315 A319 L334 M338 Y340 A342 L345 | S315-W330 VanDerWaalsContact CB-CH2 3.5Å; A319-W330 HydrophobicContact CB-CE3 3.76Å; A319-W330 HydrophobicContact CB-CZ3 4.3Å; W330-L334 HydrophobicContact CD2-CB 3.9Å; W330-L334 HydrophobicContact CD2-CD1 4.05Å; W330-L334 HydrophobicContact CE3-CB 4.13Å; W330-L334 HydrophobicContact CE3-CD1 3.6Å; W330-L334 HydrophobicContact CE3-CG 4.35Å; W330-L334 HydrophobicContact CH2-CB 4.01Å; W330-L334 HydrophobicContact CH2-CD1 4.46Å; W330-L334 HydrophobicContact CH2-CD2 4.05Å; W330-L334 HydrophobicContact CH2-CG 4.43Å; W330-L334 HydrophobicContact CZ2-CB 3.8Å; W330-L334 HydrophobicContact CZ3-CB 4.17Å; W330-L334 HydrophobicContact CZ3-CD1 3.82Å; W330-L334 HydrophobicContact CZ3-CD2 4.04Å; W330-L334 HydrophobicContact CZ3-CG 4.27Å; W330-M338 HydrophobicContact CH2-CB 3.95Å; W330-M338 HydrophobicContact CH2-CG 3.88Å; W330-M338 HydrophobicContact CZ2-CB 3.74Å; W330-M338 HydrophobicContact CZ2-CG 4.09Å; W330-Y340 PolarHBondContact NE1-O 3.34Å; W330-A342 HydrophobicContact CB-CB 4.13Å; W330-A342 HydrophobicContact CG-CB 4.47Å; W330-L345 HydrophobicContact CD2-CD1 3.83Å; W330-L345 HydrophobicContact CE3-CD1 3.99Å; W330-L345 HydrophobicContact CG-CD1 4.43Å; W330-L345 HydrophobicContact CH2-CD1 4.11Å; W330-L345 HydrophobicContact CZ2-CD1 3.91Å; W330-L345 HydrophobicContact CZ3-CD1 4.14Å | ||
| 331 | D | 92.4 | Very high | 94.7 | Very high | 55 Ų | 55 | 52.4 Ų | 52.4 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | trans | -81.8 | 171.9 | -171.4 | 78.8 | -26.3 | 0 | 0 | 0 | 113.5 | E329 T333 L334 Q335 | E329-D331 PolarHBondContact O-N 3.45Å; E329-D331 VanDerWaalsContact O-N 3.1Å; D331-T333 PolarHBondContact O-N 2.84Å; D331-T333 VanDerWaalsContact OD2-CB 3.24Å; D331-T333 WeakPolarHBondContact OD2-CB 3.39Å; D331-T333 PolarHBondContact OD2-OG1 2.51Å; D331-L334 PolarHBondContact O-N 2.98Å; D331-L334 WeakPolarHBondContact OD1-CB 3.38Å; D331-L334 WeakPolarHBondContact OD1-CG 3.41Å; D331-L334 PolarHBondContact OD1-N 3.06Å; D331-Q335 PolarHBondContact O-N 3.38Å | ||
| 332 | V | 92.3 | Very high | 94.5 | Very high | 105 Ų | 105 | 54.5 Ų | 54.5 | 64% | 0.636 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62.8 | -31.4 | 179.4 | -65 | 0 | 0 | 0 | 0 | 112.4 | Q335 H336 | V332-Q335 PolarHBondContact O-N 2.92Å; V332-H336 WeakPolarHBondContact O-CB 3.49Å; V332-H336 PolarHBondContact O-N 3.3Å |
| 333 | T | 92.9 | Very high | 94.4 | Very high | 17 Ų | 17 | 60.2 Ų | 60.2 | 10% | 0.104 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.4 | -49.6 | 176.9 | -35.9 | 0 | 0 | 0 | 0 | 110.6 | I122 V125 I281 D331 Q335 H336 Y337 | I122-T333 HydrophobicContact CG2-CG2 4.2Å; V125-T333 HydrophobicContact CG1-CG2 4.09Å; I281-T333 HydrophobicContact CG2-CG2 3.84Å; D331-T333 PolarHBondContact O-N 2.84Å; D331-T333 VanDerWaalsContact OD2-CB 3.24Å; D331-T333 WeakPolarHBondContact OD2-CB 3.39Å; D331-T333 PolarHBondContact OD2-OG1 2.51Å; T333-Q335 VanDerWaalsContact C-N 3.34Å; T333-Q335 PolarHBondContact O-N 2.93Å; T333-H336 PolarHBondContact O-N 3.24Å; T333-Y337 HydrophobicContact CG2-CD2 4.09Å; T333-Y337 HydrophobicContact CG2-CE2 4.09Å; T333-Y337 WeakPolarHBondContact O-CD2 3.5Å; T333-Y337 PolarHBondContact O-N 3.39Å; T333-Y337 VanDerWaalsContact O-N 3.11Å |
| 334 | L | 94.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 174.5 | -80.3 | 169.6 | 0 | 0 | 0 | 111.4 | A278 I281 Y282 L318 W330 D331 H336 Y337 M338 | A278-L334 HydrophobicContact CB-CD2 4.17Å; I281-L334 HydrophobicContact CB-CD2 4.07Å; I281-L334 HydrophobicContact CG2-CD2 3.82Å; I281-L334 HydrophobicContact CG2-CG 4.09Å; Y282-L334 HydrophobicContact CD2-CD1 3.3Å; Y282-L334 HydrophobicContact CD2-CG 4.02Å; Y282-L334 HydrophobicContact CE2-CD1 4.04Å; Y282-L334 HydrophobicContact CG-CD1 3.88Å; L318-L334 HydrophobicContact CD2-CD2 4.45Å; W330-L334 HydrophobicContact CD2-CB 3.9Å; W330-L334 HydrophobicContact CD2-CD1 4.05Å; W330-L334 HydrophobicContact CE3-CB 4.13Å; W330-L334 HydrophobicContact CE3-CD1 3.6Å; W330-L334 HydrophobicContact CE3-CG 4.35Å; W330-L334 HydrophobicContact CH2-CB 4.01Å; W330-L334 HydrophobicContact CH2-CD1 4.46Å; W330-L334 HydrophobicContact CH2-CD2 4.05Å; W330-L334 HydrophobicContact CH2-CG 4.43Å; W330-L334 HydrophobicContact CZ2-CB 3.8Å; W330-L334 HydrophobicContact CZ3-CB 4.17Å; W330-L334 HydrophobicContact CZ3-CD1 3.82Å; W330-L334 HydrophobicContact CZ3-CD2 4.04Å; W330-L334 HydrophobicContact CZ3-CG 4.27Å; D331-L334 PolarHBondContact O-N 2.98Å; D331-L334 WeakPolarHBondContact OD1-CB 3.38Å; D331-L334 WeakPolarHBondContact OD1-CG 3.41Å; D331-L334 PolarHBondContact OD1-N 3.06Å; L334-H336 VanDerWaalsContact C-N 3.32Å; L334-H336 PolarHBondContact O-N 3.47Å; L334-Y337 PolarHBondContact O-N 2.9Å; L334-M338 HydrophobicContact CD2-CG 4.26Å; L334-M338 WeakPolarHBondContact O-CA 3.46Å; L334-M338 WeakPolarHBondContact O-CB 3.35Å; L334-M338 WeakPolarHBondContact O-CG 3.44Å; L334-M338 PolarHBondContact O-N 2.95Å |
| 335 | Q | 95.1 | Very high | 94.4 | Very high | 85 Ų | 85 | 57.8 Ų | 57.8 | 40% | 0.397 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.9 | -43.7 | 177.2 | 176.6 | 171.6 | -38.8 | 0 | 0 | 112.1 | D331 V332 T333 N339 Y340 | D331-Q335 PolarHBondContact O-N 3.38Å; V332-Q335 PolarHBondContact O-N 2.92Å; T333-Q335 VanDerWaalsContact C-N 3.34Å; T333-Q335 PolarHBondContact O-N 2.93Å; Q335-N339 VanDerWaalsContact O-CA 3.3Å; Q335-N339 WeakPolarHBondContact O-CA 3.44Å; Q335-N339 PolarHBondContact O-N 3.01Å; Q335-Y340 WeakPolarHBondContact CA-O 3.23Å |
| 336 | H | 93 | Very high | 94.4 | Very high | 75 Ų | 75 | 58.9 Ų | 58.9 | 35% | 0.347 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.7 | -53.8 | 178.2 | 174.2 | 92.5 | 0 | 0 | 0 | 112.2 | D119 I122 V332 T333 L334 | D119-H336 IonicContact OD1-CE1 2.71Å; I122-H336 HydrophobicContact CD1-CB 3.67Å; I122-H336 VanDerWaalsContact CD1-ND1 3.33Å; I122-H336 WeakPolarHBondContact CD1-ND1 3.41Å; I122-H336 HydrophobicContact CG2-CB 4.39Å; V332-H336 WeakPolarHBondContact O-CB 3.49Å; V332-H336 PolarHBondContact O-N 3.3Å; T333-H336 PolarHBondContact O-N 3.24Å; L334-H336 VanDerWaalsContact C-N 3.32Å; L334-H336 PolarHBondContact O-N 3.47Å |
| 337 | Y | 93.7 | Very high | 94.4 | Very high | 38 Ų | 38 | 55 Ų | 55 | 15% | 0.149 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -78.4 | -25.4 | -174.8 | -78.1 | -77.1 | 0 | 0 | 0 | 114.5 | I122 R123 D124 V125 I281 T333 L334 | I122-Y337 HydrophobicContact CG2-CE2 4.1Å; R123-Y337 PolarHBondContact O-OH 3.33Å; D124-Y337 PolarHBondContact OD1-OH 2.85Å; V125-Y337 HydrophobicContact CB-CE2 4.39Å; V125-Y337 HydrophobicContact CG1-CD2 4.29Å; V125-Y337 HydrophobicContact CG1-CE2 3.69Å; V125-Y337 HydrophobicContact CG2-CD2 4.43Å; V125-Y337 HydrophobicContact CG2-CE1 3.96Å; V125-Y337 HydrophobicContact CG2-CE2 3.9Å; V125-Y337 PolarHBondContact N-OH 3.45Å; I281-Y337 HydrophobicContact CD1-CD2 4.37Å; I281-Y337 HydrophobicContact CD1-CG 3.94Å; I281-Y337 HydrophobicContact CG1-CD2 4.24Å; I281-Y337 HydrophobicContact CG1-CG 4.21Å; I281-Y337 HydrophobicContact CG2-CD2 4.22Å; T333-Y337 HydrophobicContact CG2-CD2 4.09Å; T333-Y337 HydrophobicContact CG2-CE2 4.09Å; T333-Y337 WeakPolarHBondContact O-CD2 3.5Å; T333-Y337 PolarHBondContact O-N 3.39Å; T333-Y337 VanDerWaalsContact O-N 3.11Å; L334-Y337 PolarHBondContact O-N 2.9Å |
| 338 | M | 95.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -102.6 | -5.4 | -177.9 | -55.3 | -61 | -63.1 | 0 | 0 | 112.9 | R148 F274 R277 A278 I281 S315 W330 L334 Y340 | R148-M338 PolarHBondContact NH2-O 3.06Å; F274-M338 HydrophobicContact CB-CE 4.2Å; R277-M338 HydrophobicContact CB-SD 4.35Å; R277-M338 HydrophobicContact CG-SD 4.08Å; A278-M338 HydrophobicContact CB-CE 3.91Å; A278-M338 HydrophobicContact CB-CG 4.33Å; A278-M338 HydrophobicContact CB-SD 3.93Å; I281-M338 HydrophobicContact CD1-CG 4.25Å; I281-M338 HydrophobicContact CD1-SD 3.89Å; S315-M338 WeakPolarHBondContact OG-CE 3.24Å; W330-M338 HydrophobicContact CH2-CB 3.95Å; W330-M338 HydrophobicContact CH2-CG 3.88Å; W330-M338 HydrophobicContact CZ2-CB 3.74Å; W330-M338 HydrophobicContact CZ2-CG 4.09Å; L334-M338 HydrophobicContact CD2-CG 4.26Å; L334-M338 WeakPolarHBondContact O-CA 3.46Å; L334-M338 WeakPolarHBondContact O-CB 3.35Å; L334-M338 WeakPolarHBondContact O-CG 3.44Å; L334-M338 PolarHBondContact O-N 2.95Å; M338-Y340 WeakPolarHBondContact O-CD2 3.44Å; M338-Y340 PolarHBondContact O-N 3.11Å |
| 339 | N | 95.1 | Very high | 95 | Very high | 120 Ų | 120 | 52.3 Ų | 52.3 | 64% | 0.642 | 28% | 0.282 | S | S | * | . | trans | 56.5 | 29.2 | 175.6 | -56 | 75.6 | 0 | 0 | 0 | 114.1 | Q335 | Q335-N339 VanDerWaalsContact O-CA 3.3Å; Q335-N339 WeakPolarHBondContact O-CA 3.44Å; Q335-N339 PolarHBondContact O-N 3.01Å | ||
| 340 | Y | 96.8 | Very high | 95.3 | Very high | 31 Ų | 31 | 45.7 Ų | 45.7 | 12% | 0.122 | 25% | 0.252 | C | S | . | . | trans | -131.2 | 135.5 | 177.8 | -66.4 | -58.8 | 0 | 0 | 0 | 110.1 | R148 S311 M312 W330 Q335 M338 L345 | R148-Y340 VanDerWaalsContact NH1-CZ 3.31Å; R148-Y340 PolarHBondContact NH1-OH 3.4Å; R148-Y340 VanDerWaalsContact NH1-OH 3.12Å; S311-Y340 PolarHBondContact OG-OH 2.82Å; M312-Y340 VanDerWaalsContact CA-CE2 3.5Å; M312-Y340 HydrophobicContact CB-CE1 4.26Å; M312-Y340 HydrophobicContact CB-CE2 3.9Å; M312-Y340 HydrophobicContact CE-CD1 3.8Å; M312-Y340 HydrophobicContact CE-CE1 3.38Å; M312-Y340 HydrophobicContact CG-CE1 4.28Å; M312-Y340 HydrophobicContact CG-CE2 4.43Å; W330-Y340 PolarHBondContact NE1-O 3.34Å; Q335-Y340 WeakPolarHBondContact CA-O 3.23Å; M338-Y340 WeakPolarHBondContact O-CD2 3.44Å; M338-Y340 PolarHBondContact O-N 3.11Å; Y340-L345 HydrophobicContact CD2-CD2 4.21Å; Y340-L345 HydrophobicContact CG-CD2 3.97Å | ||
| 341 | T | 96.3 | Very high | 95.4 | Very high | 57 Ų | 57 | 45.9 Ų | 45.9 | 35% | 0.35 | 25% | 0.254 | S | S | . | . | trans | -82 | 157.8 | 170.2 | 64.7 | 0 | 0 | 0 | 0 | 110 | D343 S344 L345 | T341-D343 PolarHBondContact O-N 3.5Å; T341-S344 PolarHBondContact N-OG 3.27Å; T341-S344 VanDerWaalsContact N-OG 3.11Å; T341-S344 PolarHBondContact O-N 3.45Å; T341-S344 VanDerWaalsContact O-N 3.16Å; T341-S344 PolarHBondContact O-OG 3.47Å; T341-S344 WeakPolarHBondContact OG1-CB 3.34Å; T341-S344 PolarHBondContact OG1-N 2.78Å; T341-S344 PolarHBondContact OG1-OG 3.1Å; T341-L345 PolarHBondContact O-N 2.87Å | ||
| 342 | A | 94.3 | Very high | 95.7 | Very high | 43 Ų | 43 | 43.3 Ų | 43.3 | 36% | 0.355 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -53.4 | -42.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | W330 S344 L345 L346 | W330-A342 HydrophobicContact CB-CB 4.13Å; W330-A342 HydrophobicContact CG-CB 4.47Å; A342-S344 PolarHBondContact O-N 3.3Å; A342-L345 PolarHBondContact O-N 2.97Å; A342-L346 PolarHBondContact O-N 3.14Å |
| 343 | D | 95.3 | Very high | 96 | Very high | 122 Ų | 122 | 38.3 Ų | 38.3 | 65% | 0.652 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -65 | -39.4 | -179.7 | -63.7 | -26.5 | 0 | 0 | 0 | 112.8 | T341 L345 L346 | T341-D343 PolarHBondContact O-N 3.5Å; D343-L345 PolarHBondContact O-N 2.88Å; D343-L346 WeakPolarHBondContact O-CB 3.38Å; D343-L346 PolarHBondContact O-N 3.07Å |
| 344 | S | 95.9 | Very high | 96.2 | Very high | 43 Ų | 43 | 38.6 Ų | 38.6 | 30% | 0.301 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.3 | -24 | 177.9 | 71.8 | 0 | 0 | 0 | 0 | 113.1 | T341 A342 | T341-S344 PolarHBondContact N-OG 3.27Å; T341-S344 VanDerWaalsContact N-OG 3.11Å; T341-S344 PolarHBondContact O-N 3.45Å; T341-S344 VanDerWaalsContact O-N 3.16Å; T341-S344 PolarHBondContact O-OG 3.47Å; T341-S344 WeakPolarHBondContact OG1-CB 3.34Å; T341-S344 PolarHBondContact OG1-N 2.78Å; T341-S344 PolarHBondContact OG1-OG 3.1Å; A342-S344 PolarHBondContact O-N 3.3Å |
| 345 | L | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -85.7 | -19.5 | 179.4 | -61.1 | 178.1 | 0 | 0 | 0 | 112.6 | M312 A316 A319 W330 Y340 T341 A342 D343 V348 M349 | M312-L345 HydrophobicContact CG-CD2 4.06Å; A316-L345 HydrophobicContact CB-CB 4.34Å; A316-L345 HydrophobicContact CB-CD2 4.27Å; A319-L345 HydrophobicContact CB-CD1 4.06Å; W330-L345 HydrophobicContact CD2-CD1 3.83Å; W330-L345 HydrophobicContact CE3-CD1 3.99Å; W330-L345 HydrophobicContact CG-CD1 4.43Å; W330-L345 HydrophobicContact CH2-CD1 4.11Å; W330-L345 HydrophobicContact CZ2-CD1 3.91Å; W330-L345 HydrophobicContact CZ3-CD1 4.14Å; Y340-L345 HydrophobicContact CD2-CD2 4.21Å; Y340-L345 HydrophobicContact CG-CD2 3.97Å; T341-L345 PolarHBondContact O-N 2.87Å; A342-L345 PolarHBondContact O-N 2.97Å; D343-L345 PolarHBondContact O-N 2.88Å; L345-V348 PolarHBondContact O-N 3.08Å; L345-V348 VanDerWaalsContact O-N 3.13Å; L345-M349 HydrophobicContact CB-CG 4.4Å; L345-M349 HydrophobicContact CB-SD 4.14Å; L345-M349 VanDerWaalsContact O-CG 3.29Å; L345-M349 WeakPolarHBondContact O-CG 3.39Å; L345-M349 PolarHBondContact O-N 3.49Å |
| 346 | L | 96.1 | Very high | 96.4 | Very high | 59 Ų | 59 | 35.2 Ų | 35.2 | 31% | 0.309 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -53.9 | -45.7 | -175.2 | -71.5 | 173.8 | 0 | 0 | 0 | 113.8 | A342 D343 V348 M349 A350 L395 | A342-L346 PolarHBondContact O-N 3.14Å; D343-L346 WeakPolarHBondContact O-CB 3.38Å; D343-L346 PolarHBondContact O-N 3.07Å; L346-V348 VanDerWaalsContact C-N 3.33Å; L346-V348 PolarHBondContact O-N 2.94Å; L346-M349 PolarHBondContact O-N 3.18Å; L346-A350 WeakPolarHBondContact O-CB 3.17Å; L346-A350 PolarHBondContact O-N 2.72Å; L346-L395 HydrophobicContact CD2-CD2 4.46Å |
| 347 | P | 96.2 | Very high | 96.7 | Very high | 73 Ų | 73 | 32.9 Ų | 32.9 | 47% | 0.474 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.6 | -43.2 | 179.1 | -23.2 | 34.7 | 0 | 0 | 0 | 112.1 | A350 H351 | P347-A350 WeakPolarHBondContact O-CB 3.4Å; P347-A350 PolarHBondContact O-N 3.09Å; P347-H351 PolarHBondContact O-CD2 2.97Å; P347-H351 PolarHBondContact O-N 3.15Å; P347-H351 VanDerWaalsContact O-N 3.09Å |
| 348 | V | 97.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.5 | -40.3 | 179.8 | -174.1 | 0 | 0 | 0 | 0 | 110.7 | M305 F308 M312 V313 A316 L345 L346 A350 H351 I352 | M305-V348 HydrophobicContact CE-CG1 3.63Å; F308-V348 HydrophobicContact CD1-CG2 3.65Å; F308-V348 HydrophobicContact CD2-CG2 4.23Å; F308-V348 HydrophobicContact CE1-CG2 3.68Å; F308-V348 HydrophobicContact CE2-CG2 4.26Å; F308-V348 HydrophobicContact CG-CG2 3.95Å; F308-V348 HydrophobicContact CZ-CG2 4Å; M312-V348 HydrophobicContact CG-CG2 3.91Å; M312-V348 HydrophobicContact SD-CG2 3.65Å; V313-V348 HydrophobicContact CG2-CG1 4.47Å; A316-V348 HydrophobicContact CB-CB 3.66Å; A316-V348 HydrophobicContact CB-CG1 3.51Å; L345-V348 PolarHBondContact O-N 3.08Å; L345-V348 VanDerWaalsContact O-N 3.13Å; L346-V348 VanDerWaalsContact C-N 3.33Å; L346-V348 PolarHBondContact O-N 2.94Å; V348-A350 VanDerWaalsContact C-N 3.29Å; V348-A350 PolarHBondContact O-N 3.27Å; V348-H351 PolarHBondContact O-N 2.83Å; V348-I352 HydrophobicContact CG1-CD1 4.21Å; V348-I352 VanDerWaalsContact O-CG1 3.29Å; V348-I352 WeakPolarHBondContact O-CG1 3.41Å; V348-I352 PolarHBondContact O-N 3.21Å |
| 349 | M | 97.9 | Very high | 96.8 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.015 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.3 | -40.6 | 173.2 | -70 | 176.2 | 59.6 | 0 | 0 | 111.7 | A316 A319 L320 K323 L345 L346 I352 A353 L395 | A316-M349 HydrophobicContact CB-CG 3.88Å; A319-M349 HydrophobicContact CB-CE 4.37Å; A319-M349 HydrophobicContact CB-SD 3.78Å; L320-M349 HydrophobicContact CB-CE 3.93Å; L320-M349 HydrophobicContact CB-CG 4.22Å; L320-M349 HydrophobicContact CD1-CE 4.03Å; K323-M349 HydrophobicContact CD-CE 3.78Å; K323-M349 HydrophobicContact CG-CE 4.5Å; L345-M349 HydrophobicContact CB-CG 4.4Å; L345-M349 HydrophobicContact CB-SD 4.14Å; L345-M349 VanDerWaalsContact O-CG 3.29Å; L345-M349 WeakPolarHBondContact O-CG 3.39Å; L345-M349 PolarHBondContact O-N 3.49Å; L346-M349 PolarHBondContact O-N 3.18Å; M349-I352 PolarHBondContact O-N 3.07Å; M349-A353 VanDerWaalsContact O-CB 3.31Å; M349-A353 WeakPolarHBondContact O-CB 3.37Å; M349-A353 PolarHBondContact O-N 3.3Å; M349-L395 HydrophobicContact CE-CD1 4.24Å |
| 350 | A | 97.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 3% | 0.025 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.4 | -44.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L346 P347 V348 A353 K354 L395 Q398 A399 | L346-A350 WeakPolarHBondContact O-CB 3.17Å; L346-A350 PolarHBondContact O-N 2.72Å; P347-A350 WeakPolarHBondContact O-CB 3.4Å; P347-A350 PolarHBondContact O-N 3.09Å; V348-A350 VanDerWaalsContact C-N 3.29Å; V348-A350 PolarHBondContact O-N 3.27Å; A350-A353 PolarHBondContact O-N 3.09Å; A350-K354 WeakPolarHBondContact O-CB 3.37Å; A350-K354 PolarHBondContact O-N 3.02Å; A350-L395 WeakPolarHBondContact CA-O 3.43Å; A350-L395 VanDerWaalsContact CB-O 3.27Å; A350-L395 WeakPolarHBondContact CB-O 3.48Å; A350-Q398 HydrophobicContact CB-CB 4.21Å; A350-A399 HydrophobicContact CB-CB 3.81Å |
| 351 | H | 97.5 | Very high | 96.8 | Very high | 33 Ų | 33 | 33.3 Ų | 33.3 | 15% | 0.153 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.6 | -42.2 | 174.6 | -78.2 | -77.4 | 0 | 0 | 0 | 112.6 | E304 M305 P347 V348 K354 N355 | E304-H351 IonicContact OE2-CE1 3.68Å; E304-H351 PolarHBondContact OE2-CE1 3.39Å; E304-H351 IonicContact OE2-ND1 3.71Å; E304-H351 PolarHBondContact OE2-ND1 2.91Å; M305-H351 HydrophobicContact CE-CB 3.92Å; M305-H351 HydrophobicContact CG-CB 3.83Å; M305-H351 HydrophobicContact SD-CB 3.7Å; P347-H351 PolarHBondContact O-CD2 2.97Å; P347-H351 PolarHBondContact O-N 3.15Å; P347-H351 VanDerWaalsContact O-N 3.09Å; V348-H351 PolarHBondContact O-N 2.83Å; H351-K354 WeakPolarHBondContact O-CB 3.49Å; H351-K354 PolarHBondContact O-N 3.33Å; H351-N355 PolarHBondContact O-N 3.3Å; H351-N355 VanDerWaalsContact O-N 3.08Å; H351-N355 PolarHBondContact O-ND2 3.36Å |
| 352 | I | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.3 | -45.4 | 175.5 | -63.6 | 170.7 | 0 | 0 | 0 | 110.2 | L295 T299 M305 A316 A317 L320 V348 M349 K354 N355 V356 | L295-I352 HydrophobicContact CB-CG2 3.81Å; L295-I352 HydrophobicContact CD2-CG2 3.95Å; L295-I352 HydrophobicContact CG-CG2 4.32Å; T299-I352 HydrophobicContact CG2-CD1 4.25Å; T299-I352 HydrophobicContact CG2-CG1 3.76Å; M305-I352 HydrophobicContact CE-CD1 4.34Å; M305-I352 HydrophobicContact CE-CG1 3.61Å; M305-I352 HydrophobicContact SD-CG1 4.28Å; A316-I352 HydrophobicContact CB-CD1 4.06Å; A317-I352 HydrophobicContact CB-CD1 4.08Å; L320-I352 HydrophobicContact CD2-CB 3.88Å; L320-I352 HydrophobicContact CD2-CG2 3.57Å; V348-I352 HydrophobicContact CG1-CD1 4.21Å; V348-I352 VanDerWaalsContact O-CG1 3.29Å; V348-I352 WeakPolarHBondContact O-CG1 3.41Å; V348-I352 PolarHBondContact O-N 3.21Å; M349-I352 PolarHBondContact O-N 3.07Å; I352-K354 PolarHBondContact O-N 3.34Å; I352-N355 WeakPolarHBondContact O-CB 3.38Å; I352-N355 PolarHBondContact O-N 3.03Å; I352-N355 VanDerWaalsContact O-N 3.07Å; I352-V356 WeakPolarHBondContact O-CG2 3.4Å; I352-V356 PolarHBondContact O-N 3.37Å |
| 353 | A | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.2 | -42.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L320 M349 A350 N355 V356 V357 V392 L395 A396 | L320-A353 HydrophobicContact CD2-CB 4.34Å; M349-A353 VanDerWaalsContact O-CB 3.31Å; M349-A353 WeakPolarHBondContact O-CB 3.37Å; M349-A353 PolarHBondContact O-N 3.3Å; A350-A353 PolarHBondContact O-N 3.09Å; A353-N355 VanDerWaalsContact C-N 3.27Å; A353-N355 PolarHBondContact O-N 3.32Å; A353-V356 WeakPolarHBondContact O-CB 3.12Å; A353-V356 PolarHBondContact O-N 2.65Å; A353-V356 VanDerWaalsContact O-N 3.15Å; A353-V357 WeakPolarHBondContact O-CG2 3.27Å; A353-V357 PolarHBondContact O-N 3.4Å; A353-V392 HydrophobicContact CB-CG1 4.14Å; A353-L395 HydrophobicContact CB-CB 3.74Å; A353-A396 HydrophobicContact CB-CB 4.2Å |
| 354 | K | 97.6 | Very high | 96.6 | Very high | 24 Ų | 24 | 32.9 Ų | 32.9 | 10% | 0.104 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -53.7 | -44.2 | 171 | 175.7 | -160.2 | 66.9 | 167.8 | 0 | 111.2 | D302 E304 A350 H351 I352 V357 K358 A396 A399 | D302-K354 IonicContact OD1-NZ 2.67Å; D302-K354 WeakPolarHBondContact OD2-CE 3.4Å; D302-K354 IonicContact OD2-NZ 3.71Å; D302-K354 PolarHBondContact OD2-NZ 2.98Å; E304-K354 IonicContact OE1-NZ 2.82Å; E304-K354 PolarHBondContact OE1-NZ 3.07Å; E304-K354 IonicContact OE2-NZ 2.87Å; E304-K354 PolarHBondContact OE2-NZ 3.38Å; A350-K354 WeakPolarHBondContact O-CB 3.37Å; A350-K354 PolarHBondContact O-N 3.02Å; H351-K354 WeakPolarHBondContact O-CB 3.49Å; H351-K354 PolarHBondContact O-N 3.33Å; I352-K354 PolarHBondContact O-N 3.34Å; K354-V357 PolarHBondContact O-N 3.49Å; K354-K358 HydrophobicContact CG-CD 4.42Å; K354-K358 WeakPolarHBondContact O-CG 3.27Å; K354-K358 PolarHBondContact O-N 2.8Å; K354-A396 HydrophobicContact CB-CB 4.44Å; K354-A399 HydrophobicContact CB-CB 4.19Å; K354-A399 HydrophobicContact CD-CB 4.43Å |
| 355 | N | 97.7 | Very high | 96.6 | Very high | 13 Ų | 13 | 40 Ų | 40 | 7% | 0.07 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.1 | -39 | 178.4 | -66.8 | -31.4 | 0 | 0 | 0 | 112.6 | L298 D302 H351 I352 A353 K358 V359 | L298-N355 HydrophobicContact CB-CB 4.36Å; D302-N355 VanDerWaalsContact CB-ND2 3.27Å; D302-N355 WeakPolarHBondContact CB-ND2 3.5Å; D302-N355 PolarHBondContact OD2-ND2 3.01Å; D302-N355 PolarHBondContact OD2-OD1 3.31Å; D302-N355 VanDerWaalsContact OD2-OD1 3.12Å; H351-N355 PolarHBondContact O-N 3.3Å; H351-N355 VanDerWaalsContact O-N 3.08Å; H351-N355 PolarHBondContact O-ND2 3.36Å; I352-N355 WeakPolarHBondContact O-CB 3.38Å; I352-N355 PolarHBondContact O-N 3.03Å; I352-N355 VanDerWaalsContact O-N 3.07Å; A353-N355 VanDerWaalsContact C-N 3.27Å; A353-N355 PolarHBondContact O-N 3.32Å; N355-K358 PolarHBondContact O-N 3.48Å; N355-V359 WeakPolarHBondContact O-CB 3.37Å; N355-V359 VanDerWaalsContact O-CG2 3.31Å; N355-V359 WeakPolarHBondContact O-CG2 3.24Å; N355-V359 PolarHBondContact O-N 3.21Å; N355-V359 VanDerWaalsContact O-N 3.12Å |
| 356 | V | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.2 | -48.7 | 172.5 | 174.3 | 0 | 0 | 0 | 0 | 111 | L295 L298 I352 A353 V359 N360 L387 V392 | L295-V356 HydrophobicContact CD2-CG2 3.39Å; L298-V356 HydrophobicContact CD1-CG2 3.83Å; I352-V356 WeakPolarHBondContact O-CG2 3.4Å; I352-V356 PolarHBondContact O-N 3.37Å; A353-V356 WeakPolarHBondContact O-CB 3.12Å; A353-V356 PolarHBondContact O-N 2.65Å; A353-V356 VanDerWaalsContact O-N 3.15Å; V356-V359 PolarHBondContact O-N 2.64Å; V356-N360 VanDerWaalsContact O-CB 3.29Å; V356-N360 WeakPolarHBondContact O-CB 3.45Å; V356-N360 PolarHBondContact O-N 3.49Å; V356-L387 HydrophobicContact CG1-CB 4.09Å; V356-L387 HydrophobicContact CG1-CD2 3.74Å; V356-L387 HydrophobicContact CG1-CG 4.46Å; V356-L387 HydrophobicContact CG2-CD2 4.33Å; V356-V392 HydrophobicContact CB-CG1 4.03Å; V356-V392 HydrophobicContact CG1-CG1 3.83Å |
| 357 | V | 97.3 | Very high | 96.6 | Very high | 27 Ų | 27 | 41.9 Ų | 41.9 | 16% | 0.164 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.8 | -48.7 | 178.5 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | A353 K354 V359 N360 D361 V392 A396 | A353-V357 WeakPolarHBondContact O-CG2 3.27Å; A353-V357 PolarHBondContact O-N 3.4Å; K354-V357 PolarHBondContact O-N 3.49Å; V357-V359 PolarHBondContact O-N 3.27Å; V357-N360 PolarHBondContact O-N 3.14Å; V357-N360 VanDerWaalsContact O-N 3.12Å; V357-D361 WeakPolarHBondContact O-CB 3.36Å; V357-D361 PolarHBondContact O-N 2.67Å; V357-V392 HydrophobicContact CG2-CG1 4.04Å; V357-A396 HydrophobicContact CB-CB 4.34Å; V357-A396 HydrophobicContact CG2-CB 3.67Å |
| 358 | K | 95.9 | Very high | 96.7 | Very high | 72 Ų | 72 | 39.1 Ų | 39.1 | 31% | 0.313 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -53.3 | -44.1 | 179 | -78.1 | 178.6 | 178.3 | -179.6 | 0 | 112.2 | K354 N355 G362 L363 T364 | K354-K358 HydrophobicContact CG-CD 4.42Å; K354-K358 WeakPolarHBondContact O-CG 3.27Å; K354-K358 PolarHBondContact O-N 2.8Å; N355-K358 PolarHBondContact O-N 3.48Å; K358-G362 PolarHBondContact O-N 2.91Å; K358-L363 HydrophobicContact CB-CB 4.38Å; K358-L363 HydrophobicContact CG-CB 4.41Å; K358-L363 PolarHBondContact O-N 2.71Å; K358-T364 HydrophobicContact CB-CG2 4.27Å; K358-T364 PolarHBondContact O-N 3.36Å |
| 359 | V | 96.8 | Very high | 96.7 | Very high | 10 Ų | 10 | 39.2 Ų | 39.2 | 6% | 0.061 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -79.5 | -28 | -177.1 | 171.3 | 0 | 0 | 0 | 0 | 112.4 | L298 N355 V356 V357 T364 M367 K370 | L298-V359 HydrophobicContact CD2-CG2 4.22Å; N355-V359 WeakPolarHBondContact O-CB 3.37Å; N355-V359 VanDerWaalsContact O-CG2 3.31Å; N355-V359 WeakPolarHBondContact O-CG2 3.24Å; N355-V359 PolarHBondContact O-N 3.21Å; N355-V359 VanDerWaalsContact O-N 3.12Å; V356-V359 PolarHBondContact O-N 2.64Å; V357-V359 PolarHBondContact O-N 3.27Å; V359-T364 HydrophobicContact CB-CG2 4.3Å; V359-T364 HydrophobicContact CG2-CG2 3.52Å; V359-M367 HydrophobicContact CG1-CE 4.1Å; V359-M367 HydrophobicContact CG1-SD 4.03Å; V359-K370 HydrophobicContact CG1-CB 3.56Å; V359-K370 HydrophobicContact CG1-CD 3.25Å; V359-K370 HydrophobicContact CG1-CG 4.06Å; V359-K370 PolarHBondContact O-NZ 2.78Å |
| 360 | N | 96.1 | Very high | 96.7 | Very high | 25 Ų | 25 | 40.6 Ų | 40.6 | 13% | 0.134 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -80.3 | -36.4 | 177.8 | -80.7 | -13.7 | 0 | 0 | 0 | 113.9 | V356 V357 G362 K370 L387 | V356-N360 VanDerWaalsContact O-CB 3.29Å; V356-N360 WeakPolarHBondContact O-CB 3.45Å; V356-N360 PolarHBondContact O-N 3.49Å; V357-N360 PolarHBondContact O-N 3.14Å; V357-N360 VanDerWaalsContact O-N 3.12Å; N360-G362 VanDerWaalsContact C-N 3.34Å; N360-K370 PolarHBondContact OD1-NZ 2.79Å; N360-L387 PolarHBondContact ND2-O 3.21Å |
| 361 | D | 95.4 | Very high | 96.7 | Very high | 91 Ų | 91 | 42.5 Ų | 42.5 | 49% | 0.487 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 5.2 | -177 | -64.7 | -8.1 | 0 | 0 | 0 | 112.3 | V357 L363 | V357-D361 WeakPolarHBondContact O-CB 3.36Å; V357-D361 PolarHBondContact O-N 2.67Å; D361-L363 VanDerWaalsContact C-N 3.32Å; D361-L363 HydrophobicContact CB-CD1 4.35Å; D361-L363 HydrophobicContact CB-CG 4.06Å; D361-L363 PolarHBondContact O-N 2.93Å |
| 362 | G | 93.4 | Very high | 96.7 | Very high | 57 Ų | 57 | 41.7 Ų | 41.7 | 59% | 0.588 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 25 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K358 N360 T364 | K358-G362 PolarHBondContact O-N 2.91Å; N360-G362 VanDerWaalsContact C-N 3.34Å; G362-T364 VanDerWaalsContact C-N 3.27Å; G362-T364 PolarHBondContact O-N 3Å |
| 363 | L | 93.9 | Very high | 96.7 | Very high | 123 Ų | 123 | 41.7 Ų | 41.7 | 64% | 0.644 | 23% | 0.232 | S | C | * | . | trans | -81.8 | -5.2 | -180 | -50.8 | 178.5 | 0 | 0 | 0 | 112.9 | K358 D361 | K358-L363 HydrophobicContact CB-CB 4.38Å; K358-L363 HydrophobicContact CG-CB 4.41Å; K358-L363 PolarHBondContact O-N 2.71Å; D361-L363 VanDerWaalsContact C-N 3.32Å; D361-L363 HydrophobicContact CB-CD1 4.35Å; D361-L363 HydrophobicContact CB-CG 4.06Å; D361-L363 PolarHBondContact O-N 2.93Å | ||
| 364 | T | 94.4 | Very high | 96.6 | Very high | 33 Ų | 33 | 43.2 Ų | 43.2 | 20% | 0.202 | 24% | 0.242 | C | C | . | . | trans | -131.2 | 152 | 175.9 | -177 | 0 | 0 | 0 | 0 | 111.1 | K358 V359 G362 H366 M367 | K358-T364 HydrophobicContact CB-CG2 4.27Å; K358-T364 PolarHBondContact O-N 3.36Å; V359-T364 HydrophobicContact CB-CG2 4.3Å; V359-T364 HydrophobicContact CG2-CG2 3.52Å; G362-T364 VanDerWaalsContact C-N 3.27Å; G362-T364 PolarHBondContact O-N 3Å; T364-H366 PolarHBondContact OG1-CD2 3.1Å; T364-H366 VanDerWaalsContact OG1-CD2 3.28Å; T364-H366 PolarHBondContact OG1-N 3.1Å; T364-M367 HydrophobicContact CG2-SD 4.33Å | ||
| 365 | K | 95.5 | Very high | 96.6 | Very high | 194 Ų | 194 | 45 Ų | 45 | 84% | 0.843 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -90.2 | -11.3 | 173.2 | -62.4 | -177.6 | -178.7 | 179.3 | 0 | 112.6 | M367 | K365-M367 PolarHBondContact O-N 3.43Å; K365-M367 VanDerWaalsContact O-N 3.15Å |
| 366 | H | 95.8 | Very high | 96.5 | Very high | 31 Ų | 31 | 48.8 Ų | 48.8 | 14% | 0.144 | 28% | 0.283 | C | S | . | . | trans | -83.9 | 89.2 | -175.6 | -47.1 | -38.3 | 0 | 0 | 0 | 109.2 | N169 A172 D176 V301 T364 | N169-H366 PolarHBondContact OD1-NE2 2.92Å; A172-H366 WeakPolarHBondContact CB-NE2 3.31Å; D176-H366 HydrophobicContact CB-CB 4.1Å; D176-H366 VanDerWaalsContact OD1-CA 3.27Å; D176-H366 WeakPolarHBondContact OD1-CA 3.41Å; V301-H366 HydrophobicContact CG1-CB 3.92Å; T364-H366 PolarHBondContact OG1-CD2 3.1Å; T364-H366 VanDerWaalsContact OG1-CD2 3.28Å; T364-H366 PolarHBondContact OG1-N 3.1Å | ||
| 367 | M | 97.4 | Very high | 96.3 | Very high | 67 Ų | 67 | 57.4 Ų | 57.4 | 33% | 0.33 | 32% | 0.321 | S | S | . | . | trans | -114.2 | -1 | -166.9 | -62.8 | -60.5 | -71.5 | 0 | 0 | 114 | D176 V359 T364 K365 V369 K370 G371 | D176-M367 PolarHBondContact OD1-N 3.47Å; V359-M367 HydrophobicContact CG1-CE 4.1Å; V359-M367 HydrophobicContact CG1-SD 4.03Å; T364-M367 HydrophobicContact CG2-SD 4.33Å; K365-M367 PolarHBondContact O-N 3.43Å; K365-M367 VanDerWaalsContact O-N 3.15Å; M367-V369 PolarHBondContact O-N 3.1Å; M367-K370 HydrophobicContact CE-CB 4.5Å; M367-K370 HydrophobicContact CE-CD 3.83Å; M367-K370 HydrophobicContact CE-CG 4.39Å; M367-K370 PolarHBondContact O-N 3.08Å; M367-G371 PolarHBondContact O-N 3.47Å | ||
| 368 | A | 97.6 | Very high | 96.3 | Very high | 14 Ų | 14 | 57.4 Ų | 57.4 | 12% | 0.116 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.6 | -42.7 | -173 | 0 | 0 | 0 | 0 | 0 | 112.7 | D176 V179 Q180 G371 K372 | D176-A368 WeakPolarHBondContact O-CB 3.47Å; D176-A368 WeakPolarHBondContact OD1-CB 3.49Å; D176-A368 PolarHBondContact OD1-N 3.2Å; V179-A368 HydrophobicContact CB-CB 4Å; V179-A368 HydrophobicContact CG1-CB 3.88Å; Q180-A368 HydrophobicContact CG-CB 3.81Å; A368-G371 PolarHBondContact O-N 3.33Å; A368-K372 WeakPolarHBondContact O-CB 3.49Å; A368-K372 PolarHBondContact O-N 3.49Å |
| 369 | V | 97.9 | Very high | 96.3 | Very high | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.024 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.5 | -46.6 | 178.1 | 178.7 | 0 | 0 | 0 | 0 | 111.1 | V179 Y294 E297 L298 V301 M367 G371 K372 Y373 | V179-V369 HydrophobicContact CG1-CG2 4.26Å; V179-V369 HydrophobicContact CG2-CG2 3.98Å; Y294-V369 HydrophobicContact CD2-CG1 4.14Å; Y294-V369 HydrophobicContact CE2-CG1 4.2Å; E297-V369 HydrophobicContact CB-CG1 3.67Å; L298-V369 HydrophobicContact CD2-CB 4.07Å; L298-V369 HydrophobicContact CD2-CG1 3.84Å; L298-V369 HydrophobicContact CG-CG1 4.3Å; V301-V369 HydrophobicContact CG2-CG2 4.49Å; M367-V369 PolarHBondContact O-N 3.1Å; V369-G371 PolarHBondContact O-N 2.76Å; V369-K372 WeakPolarHBondContact O-CB 3.33Å; V369-K372 PolarHBondContact O-N 3.42Å; V369-Y373 HydrophobicContact CG1-CD2 4.06Å; V369-Y373 HydrophobicContact CG1-CE2 4.31Å; V369-Y373 WeakPolarHBondContact O-CD2 3.49Å; V369-Y373 PolarHBondContact O-N 2.94Å |
| 370 | K | 97.6 | Very high | 96.3 | Very high | 32 Ų | 32 | 65.3 Ų | 65.3 | 14% | 0.139 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 175 | 170.4 | 159.1 | 171.5 | 179.3 | 0 | 111.4 | Y294 V359 N360 M367 K372 Y373 S374 A382 | Y294-K370 HydrophobicContact CE2-CB 4.47Å; V359-K370 HydrophobicContact CG1-CB 3.56Å; V359-K370 HydrophobicContact CG1-CD 3.25Å; V359-K370 HydrophobicContact CG1-CG 4.06Å; V359-K370 PolarHBondContact O-NZ 2.78Å; N360-K370 PolarHBondContact OD1-NZ 2.79Å; M367-K370 HydrophobicContact CE-CB 4.5Å; M367-K370 HydrophobicContact CE-CD 3.83Å; M367-K370 HydrophobicContact CE-CG 4.39Å; M367-K370 PolarHBondContact O-N 3.08Å; K370-K372 VanDerWaalsContact C-N 3.28Å; K370-K372 PolarHBondContact O-N 2.93Å; K370-Y373 CarbonylContact O-C 3.53Å; K370-Y373 PolarHBondContact O-N 3.46Å; K370-Y373 VanDerWaalsContact O-N 3.1Å; K370-S374 WeakPolarHBondContact O-CB 3.46Å; K370-S374 PolarHBondContact O-N 2.91Å; K370-S374 PolarHBondContact O-OG 3.1Å; K370-A382 HydrophobicContact CG-CB 4.14Å |
| 371 | G | 97.8 | Very high | 96.4 | Very high | 42 Ų | 42 | 64.2 Ų | 64.2 | 43% | 0.433 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -53.9 | -44.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M367 A368 V369 Y373 S374 | M367-G371 PolarHBondContact O-N 3.47Å; A368-G371 PolarHBondContact O-N 3.33Å; V369-G371 PolarHBondContact O-N 2.76Å; G371-Y373 PolarHBondContact O-N 3.33Å; G371-S374 PolarHBondContact O-N 2.95Å |
| 372 | K | 97.7 | Very high | 96.5 | Very high | 16 Ų | 16 | 59.9 Ų | 59.9 | 7% | 0.07 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.4 | -48.3 | 174.7 | 176 | -179.6 | 175.2 | -177.3 | 0 | 112.5 | V179 L183 E297 A368 V369 K370 T375 Q378 | V179-K372 HydrophobicContact CG1-CD 4.49Å; L183-K372 HydrophobicContact CD1-CB 4.1Å; L183-K372 HydrophobicContact CD1-CD 4.42Å; L183-K372 HydrophobicContact CD1-CG 4.31Å; L183-K372 HydrophobicContact CD2-CD 3.94Å; L183-K372 HydrophobicContact CD2-CG 3.99Å; L183-K372 HydrophobicContact CG-CD 4.48Å; E297-K372 IonicContact OE1-NZ 3.3Å; E297-K372 PolarHBondContact OE1-NZ 3.09Å; E297-K372 IonicContact OE2-NZ 2.91Å; E297-K372 PolarHBondContact OE2-NZ 3.18Å; A368-K372 WeakPolarHBondContact O-CB 3.49Å; A368-K372 PolarHBondContact O-N 3.49Å; V369-K372 WeakPolarHBondContact O-CB 3.33Å; V369-K372 PolarHBondContact O-N 3.42Å; K370-K372 VanDerWaalsContact C-N 3.28Å; K370-K372 PolarHBondContact O-N 2.93Å; K372-T375 WeakPolarHBondContact O-CG2 3.48Å; K372-T375 PolarHBondContact O-N 3.22Å; K372-T375 PolarHBondContact O-OG1 3.38Å; K372-Q378 WeakPolarHBondContact O-CG 2.96Å |
| 373 | Y | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -84.1 | -8.2 | -176.7 | -79.2 | -89.3 | 0 | 0 | 0 | 114.6 | T290 K293 Y294 E297 V369 K370 G371 T375 Q378 R380 I381 A382 | T290-Y373 HydrophobicContact CG2-CD1 4.48Å; T290-Y373 HydrophobicContact CG2-CE1 4.43Å; K293-Y373 HydrophobicContact CB-CE1 4.29Å; Y294-Y373 HydrophobicContact CD2-CD1 4.3Å; Y294-Y373 AromaticContact CD2-CD2 3.69Å; Y294-Y373 HydrophobicContact CD2-CD2 3.69Å; Y294-Y373 HydrophobicContact CD2-CE2 4.46Å; Y294-Y373 AromaticContact CD2-CG 3.59Å; Y294-Y373 HydrophobicContact CD2-CG 3.59Å; Y294-Y373 HydrophobicContact CG-CD1 4.31Å; Y294-Y373 HydrophobicContact CG-CD2 4.44Å; Y294-Y373 HydrophobicContact CG-CG 4.04Å; E297-Y373 HydrophobicContact CB-CE2 4.23Å; E297-Y373 VanDerWaalsContact CD-CE2 3.43Å; E297-Y373 HydrophobicContact CG-CE2 4.23Å; E297-Y373 VanDerWaalsContact OE1-CE2 3.24Å; E297-Y373 WeakPolarHBondContact OE1-CE2 3.46Å; E297-Y373 VanDerWaalsContact OE1-CZ 3.27Å; E297-Y373 PolarHBondContact OE1-OH 2.95Å; V369-Y373 HydrophobicContact CG1-CD2 4.06Å; V369-Y373 HydrophobicContact CG1-CE2 4.31Å; V369-Y373 WeakPolarHBondContact O-CD2 3.49Å; V369-Y373 PolarHBondContact O-N 2.94Å; K370-Y373 CarbonylContact O-C 3.53Å; K370-Y373 PolarHBondContact O-N 3.46Å; K370-Y373 VanDerWaalsContact O-N 3.1Å; G371-Y373 PolarHBondContact O-N 3.33Å; Y373-T375 VanDerWaalsContact C-N 3.27Å; Y373-Q378 HydrophobicContact CD1-CB 3.76Å; Y373-Q378 HydrophobicContact CD1-CG 3.93Å; Y373-Q378 HydrophobicContact CE1-CB 4.42Å; Y373-Q378 HydrophobicContact CE1-CG 4.28Å; Y373-Q378 HydrophobicContact CG-CB 4.31Å; Y373-Q378 HydrophobicContact CG-CG 4.33Å; Y373-R380 CarbonylContact O-C 3.33Å; Y373-R380 WeakPolarHBondContact O-CA 3.48Å; Y373-I381 HydrophobicContact CD1-CG2 3.63Å; Y373-I381 HydrophobicContact CG-CG2 4.27Å; Y373-I381 PolarHBondContact O-N 3.08Å; Y373-I381 VanDerWaalsContact O-N 3.14Å; Y373-A382 PolarHBondContact O-N 3.14Å |
| 374 | S | 97.7 | Very high | 96.9 | Very high | 32 Ų | 32 | 56.9 Ų | 56.9 | 22% | 0.224 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -8.3 | 168.5 | -65.3 | 0 | 0 | 0 | 0 | 112.9 | K370 G371 R380 N383 | K370-S374 WeakPolarHBondContact O-CB 3.46Å; K370-S374 PolarHBondContact O-N 2.91Å; K370-S374 PolarHBondContact O-OG 3.1Å; G371-S374 PolarHBondContact O-N 2.95Å; S374-R380 WeakPolarHBondContact O-CG 3.48Å; S374-N383 PolarHBondContact OG-OD1 3.31Å |
| 375 | T | 96.9 | Very high | 97 | Very high | 62 Ų | 62 | 60 Ų | 60 | 38% | 0.38 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -75.2 | 155.8 | 178.5 | 67.1 | 0 | 0 | 0 | 0 | 112.5 | K372 Y373 K377 Q378 R380 | K372-T375 WeakPolarHBondContact O-CG2 3.48Å; K372-T375 PolarHBondContact O-N 3.22Å; K372-T375 PolarHBondContact O-OG1 3.38Å; Y373-T375 VanDerWaalsContact C-N 3.27Å; T375-K377 PolarHBondContact O-N 3.32Å; T375-Q378 CarbonylContact O-C 3.54Å; T375-Q378 PolarHBondContact O-N 3.07Å; T375-Q378 VanDerWaalsContact O-N 3.08Å; T375-R380 PolarHBondContact O-N 2.87Å |
| 376 | S | 95.6 | Very high | 97 | Very high | 93 Ų | 93 | 54.3 Ų | 54.3 | 65% | 0.65 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -61.9 | -30 | 175.1 | 53 | 0 | 0 | 0 | 0 | 113 | Q378 M379 | S376-Q378 PolarHBondContact O-N 3.37Å; S376-M379 PolarHBondContact O-N 3.1Å; S376-M379 VanDerWaalsContact O-N 3.07Å |
| 377 | K | 94.4 | Very high | 97.1 | Very high | 181 Ų | 181 | 52.9 Ų | 52.9 | 79% | 0.787 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -58.3 | -28.6 | 174.5 | -175.2 | 178.1 | 177.4 | -176 | 0 | 112.3 | T375 | T375-K377 PolarHBondContact O-N 3.32Š|
| 378 | Q | 96.1 | Very high | 97 | Very high | 27 Ų | 27 | 55.9 Ų | 55.9 | 13% | 0.126 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -109 | 28.6 | 178.9 | -58.3 | -63.6 | -5.8 | 0 | 0 | 111.9 | K372 Y373 T375 S376 R380 I381 | K372-Q378 WeakPolarHBondContact O-CG 2.96Å; Y373-Q378 HydrophobicContact CD1-CB 3.76Å; Y373-Q378 HydrophobicContact CD1-CG 3.93Å; Y373-Q378 HydrophobicContact CE1-CB 4.42Å; Y373-Q378 HydrophobicContact CE1-CG 4.28Å; Y373-Q378 HydrophobicContact CG-CB 4.31Å; Y373-Q378 HydrophobicContact CG-CG 4.33Å; T375-Q378 CarbonylContact O-C 3.54Å; T375-Q378 PolarHBondContact O-N 3.07Å; T375-Q378 VanDerWaalsContact O-N 3.08Å; S376-Q378 PolarHBondContact O-N 3.37Å; Q378-R380 PolarHBondContact O-N 3.2Å; Q378-I381 WeakPolarHBondContact O-CB 3.39Å; Q378-I381 PolarHBondContact O-N 3.41Å |
| 379 | M | 96.4 | Very high | 96.9 | Very high | 92 Ų | 92 | 56.8 Ų | 56.8 | 45% | 0.453 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 14.9 | -179.7 | -62.3 | -179.8 | -72.6 | 0 | 0 | 115 | A286 T290 S376 I381 | A286-M379 WeakPolarHBondContact O-CE 3.31Å; T290-M379 HydrophobicContact CG2-CE 3.47Å; T290-M379 VanDerWaalsContact CG2-CE 3.47Å; T290-M379 WeakPolarHBondContact OG1-CE 3.35Å; S376-M379 PolarHBondContact O-N 3.1Å; S376-M379 VanDerWaalsContact O-N 3.07Å; M379-I381 PolarHBondContact O-N 3.17Å |
| 380 | R | 97.4 | Very high | 96.7 | Very high | 156 Ų | 156 | 60.4 Ų | 60.4 | 59% | 0.589 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 30.9 | -170.6 | -48.7 | -176.3 | 172.8 | 129.4 | -3.7 | 112.5 | Y373 S374 T375 Q378 A382 N383 | Y373-R380 CarbonylContact O-C 3.33Å; Y373-R380 WeakPolarHBondContact O-CA 3.48Å; S374-R380 WeakPolarHBondContact O-CG 3.48Å; T375-R380 PolarHBondContact O-N 2.87Å; Q378-R380 PolarHBondContact O-N 3.2Å; R380-A382 PolarHBondContact O-N 2.94Å; R380-A382 VanDerWaalsContact O-N 3.11Å; R380-N383 WeakPolarHBondContact O-CB 3.44Å; R380-N383 PolarHBondContact O-N 2.97Å |
| 381 | I | 98 | Very high | 96.5 | Very high | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -59.7 | -29.1 | -170.5 | -157.8 | 67.3 | 0 | 0 | 0 | 112.8 | E287 T290 L291 Y294 Y373 Q378 M379 N383 I384 L387 | E287-I381 HydrophobicContact CG-CD1 3.81Å; T290-I381 HydrophobicContact CG2-CB 4.07Å; T290-I381 HydrophobicContact CG2-CG1 4.39Å; T290-I381 HydrophobicContact CG2-CG2 3.87Å; L291-I381 HydrophobicContact CB-CD1 4.13Å; L291-I381 HydrophobicContact CB-CG1 3.74Å; L291-I381 HydrophobicContact CD1-CG1 4.05Å; L291-I381 HydrophobicContact CG-CG1 4.47Å; Y294-I381 HydrophobicContact CG-CG2 4.33Å; Y373-I381 HydrophobicContact CD1-CG2 3.63Å; Y373-I381 HydrophobicContact CG-CG2 4.27Å; Y373-I381 PolarHBondContact O-N 3.08Å; Y373-I381 VanDerWaalsContact O-N 3.14Å; Q378-I381 WeakPolarHBondContact O-CB 3.39Å; Q378-I381 PolarHBondContact O-N 3.41Å; M379-I381 PolarHBondContact O-N 3.17Å; I381-N383 PolarHBondContact O-N 3.03Å; I381-I384 HydrophobicContact CD1-CD1 4.19Å; I381-I384 HydrophobicContact CD1-CG2 4.06Å; I381-I384 WeakPolarHBondContact O-CG1 3.38Å; I381-I384 PolarHBondContact O-N 3.24Å; I381-L387 WeakPolarHBondContact O-CD1 3.47Å |
| 382 | A | 97.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.008 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -70.2 | -9.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y294 K370 Y373 R380 | Y294-A382 HydrophobicContact CD1-CB 4.45Å; Y294-A382 HydrophobicContact CD2-CB 4.22Å; Y294-A382 HydrophobicContact CE1-CB 4.03Å; Y294-A382 HydrophobicContact CE2-CB 3.77Å; K370-A382 HydrophobicContact CG-CB 4.14Å; Y373-A382 PolarHBondContact O-N 3.14Å; R380-A382 PolarHBondContact O-N 2.94Å; R380-A382 VanDerWaalsContact O-N 3.11Å |
| 383 | N | 97 | Very high | 96.3 | Very high | 93 Ų | 93 | 63.4 Ų | 63.4 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -107.7 | 3.1 | -177.7 | -61.5 | -17.6 | 0 | 0 | 0 | 113.3 | S374 R380 I381 | S374-N383 PolarHBondContact OG-OD1 3.31Å; R380-N383 WeakPolarHBondContact O-CB 3.44Å; R380-N383 PolarHBondContact O-N 2.97Å; I381-N383 PolarHBondContact O-N 3.03Å |
| 384 | I | 97.4 | Very high | 96.2 | Very high | 23 Ų | 23 | 66.9 Ų | 66.9 | 12% | 0.118 | 35% | 0.35 | C | S | . | . | trans | -64.7 | 141.2 | -178.7 | 69.3 | 179.4 | 0 | 0 | 0 | 110.8 | L291 L325 I381 Q386 L387 | L291-I384 HydrophobicContact CD1-CD1 4.2Å; L291-I384 HydrophobicContact CD2-CD1 4.15Å; L325-I384 HydrophobicContact CD2-CD1 3.98Å; I381-I384 HydrophobicContact CD1-CD1 4.19Å; I381-I384 HydrophobicContact CD1-CG2 4.06Å; I381-I384 WeakPolarHBondContact O-CG1 3.38Å; I381-I384 PolarHBondContact O-N 3.24Å; I384-Q386 HydrophobicContact CD1-CB 4.29Å; I384-Q386 HydrophobicContact CG1-CB 4.4Å; I384-Q386 PolarHBondContact O-N 2.92Å; I384-L387 HydrophobicContact CD1-CD1 4.45Å; I384-L387 HydrophobicContact CD1-CG 4.17Å; I384-L387 HydrophobicContact CG1-CB 4.41Å; I384-L387 HydrophobicContact CG1-CD1 3.76Å; I384-L387 HydrophobicContact CG1-CG 3.67Å; I384-L387 PolarHBondContact O-N 3.41Å | ||
| 385 | P | 96.8 | Very high | 96 | Very high | 99 Ų | 99 | 66.2 Ų | 66.2 | 64% | 0.643 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -64 | -27.1 | -177.6 | 24.2 | -33.5 | 0 | 0 | 0 | 113.3 | L387 K388 | P385-L387 PolarHBondContact O-N 3.25Å; P385-K388 WeakPolarHBondContact O-CB 3.44Å; P385-K388 PolarHBondContact O-N 3.2Å |
| 386 | Q | 96.8 | Very high | 95.9 | Very high | 74 Ų | 74 | 63.9 Ų | 63.9 | 35% | 0.346 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -60.4 | -26.4 | 179.7 | -63.1 | 83.8 | -16.2 | 0 | 0 | 112.5 | I324 I384 K388 S389 | I324-Q386 HydrophobicContact CG2-CB 3.59Å; I384-Q386 HydrophobicContact CD1-CB 4.29Å; I384-Q386 HydrophobicContact CG1-CB 4.4Å; I384-Q386 PolarHBondContact O-N 2.92Å; Q386-K388 PolarHBondContact O-N 3Å; Q386-K388 VanDerWaalsContact O-N 3.15Å; Q386-S389 WeakPolarHBondContact O-CB 3.34Å; Q386-S389 PolarHBondContact O-N 2.93Å; Q386-S389 VanDerWaalsContact O-N 3.09Å; Q386-S389 PolarHBondContact O-OG 3.44Å |
| 387 | L | 96.7 | Very high | 95.7 | Very high | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -68.3 | -8.1 | 174 | -71 | 168.8 | 0 | 0 | 0 | 113.8 | L291 Y294 L295 I324 V356 N360 I381 I384 P385 | L291-L387 HydrophobicContact CD1-CD2 4.04Å; Y294-L387 HydrophobicContact CD1-CD1 4.4Å; Y294-L387 HydrophobicContact CE1-CD1 3.84Å; Y294-L387 HydrophobicContact CE1-CD2 4.39Å; L295-L387 HydrophobicContact CD2-CD2 4.34Å; I324-L387 HydrophobicContact CD1-CD2 4.12Å; V356-L387 HydrophobicContact CG1-CB 4.09Å; V356-L387 HydrophobicContact CG1-CD2 3.74Å; V356-L387 HydrophobicContact CG1-CG 4.46Å; V356-L387 HydrophobicContact CG2-CD2 4.33Å; N360-L387 PolarHBondContact ND2-O 3.21Å; I381-L387 WeakPolarHBondContact O-CD1 3.47Å; I384-L387 HydrophobicContact CD1-CD1 4.45Å; I384-L387 HydrophobicContact CD1-CG 4.17Å; I384-L387 HydrophobicContact CG1-CB 4.41Å; I384-L387 HydrophobicContact CG1-CD1 3.76Å; I384-L387 HydrophobicContact CG1-CG 3.67Å; I384-L387 PolarHBondContact O-N 3.41Å; P385-L387 PolarHBondContact O-N 3.25Å |
| 388 | K | 94.9 | Very high | 95.5 | Very high | 130 Ų | 130 | 61.3 Ų | 61.3 | 57% | 0.565 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -108.3 | 5.9 | 174.4 | -61.4 | -177.6 | 177.2 | -177.3 | 0 | 113 | P385 Q386 K393 | P385-K388 WeakPolarHBondContact O-CB 3.44Å; P385-K388 PolarHBondContact O-N 3.2Å; Q386-K388 PolarHBondContact O-N 3Å; Q386-K388 VanDerWaalsContact O-N 3.15Å; K388-K393 WeakPolarHBondContact O-CE 3.24Å |
| 389 | S | 95.5 | Very high | 94.7 | Very high | 33 Ų | 33 | 60.9 Ų | 60.9 | 23% | 0.231 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -62.9 | 163.9 | -180 | 63.6 | 0 | 0 | 0 | 0 | 112.7 | Q386 V391 V392 K393 | Q386-S389 WeakPolarHBondContact O-CB 3.34Å; Q386-S389 PolarHBondContact O-N 2.93Å; Q386-S389 VanDerWaalsContact O-N 3.09Å; Q386-S389 PolarHBondContact O-OG 3.44Å; S389-V391 VanDerWaalsContact C-N 3.27Å; S389-V391 PolarHBondContact O-N 2.93Å; S389-V392 PolarHBondContact O-N 3.11Å; S389-K393 PolarHBondContact O-N 2.55Å |
| 390 | S | 94.2 | Very high | 93 | Very high | 79 Ų | 79 | 61 Ų | 61 | 55% | 0.552 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -58.5 | -39.7 | 172.3 | 46.7 | 0 | 0 | 0 | 0 | 111.7 | V392 K393 D394 | S390-V392 VanDerWaalsContact C-N 3.3Å; S390-V392 PolarHBondContact O-N 3.36Å; S390-K393 CarbonylContact O-C 3.59Å; S390-K393 PolarHBondContact O-N 3.2Å; S390-D394 WeakPolarHBondContact O-CB 2.99Å; S390-D394 VanDerWaalsContact O-CG 3.27Å; S390-D394 PolarHBondContact O-N 2.76Å |
| 391 | V | 94.1 | Very high | 90.5 | Very high | 58 Ų | 58 | 64 Ų | 64 | 35% | 0.352 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -50.2 | -49.8 | 178.5 | 179.2 | 0 | 0 | 0 | 0 | 111.5 | K323 S389 L395 | K323-V391 HydrophobicContact CB-CG1 4.45Å; S389-V391 VanDerWaalsContact C-N 3.27Å; S389-V391 PolarHBondContact O-N 2.93Å; V391-L395 HydrophobicContact CG1-CD1 4.24Å; V391-L395 WeakPolarHBondContact O-CB 3.31Å; V391-L395 WeakPolarHBondContact O-CG 3.39Å; V391-L395 PolarHBondContact O-N 3.35Å; V391-L395 VanDerWaalsContact O-N 3.13Å |
| 392 | V | 95.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68 | -42.3 | 179.3 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | I324 A353 V356 V357 S389 S390 A396 | I324-V392 HydrophobicContact CD1-CG2 3.67Å; I324-V392 HydrophobicContact CG1-CG2 3.7Å; A353-V392 HydrophobicContact CB-CG1 4.14Å; V356-V392 HydrophobicContact CB-CG1 4.03Å; V356-V392 HydrophobicContact CG1-CG1 3.83Å; V357-V392 HydrophobicContact CG2-CG1 4.04Å; S389-V392 PolarHBondContact O-N 3.11Å; S390-V392 VanDerWaalsContact C-N 3.3Å; S390-V392 PolarHBondContact O-N 3.36Å; V392-A396 WeakPolarHBondContact O-CB 3.23Å; V392-A396 PolarHBondContact O-N 3.47Å |
| 393 | K | 95.2 | Very high | 89.8 | Confident | 95 Ų | 95 | 70.6 Ų | 70.6 | 41% | 0.413 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.6 | -37.7 | -178.4 | -69.7 | -179.9 | 179.2 | -178.7 | 0 | 112.6 | K388 S389 S390 A396 K397 | K388-K393 WeakPolarHBondContact O-CE 3.24Å; S389-K393 PolarHBondContact O-N 2.55Å; S390-K393 CarbonylContact O-C 3.59Å; S390-K393 PolarHBondContact O-N 3.2Å; K393-A396 PolarHBondContact O-N 3.39Å; K393-K397 WeakPolarHBondContact O-CG 3.37Å; K393-K397 PolarHBondContact O-N 3.31Å |
| 394 | D | 95.3 | Very high | 89.4 | Confident | 74 Ų | 74 | 69.4 Ų | 69.4 | 40% | 0.396 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -75.7 | -40.4 | -177.8 | -65 | -29.4 | 0 | 0 | 0 | 110.8 | S390 A396 K397 Q398 | S390-D394 WeakPolarHBondContact O-CB 2.99Å; S390-D394 VanDerWaalsContact O-CG 3.27Å; S390-D394 PolarHBondContact O-N 2.76Å; D394-A396 VanDerWaalsContact C-N 3.34Å; D394-A396 PolarHBondContact O-N 2.77Å; D394-K397 PolarHBondContact O-N 3.25Å; D394-K397 IonicContact OD1-NZ 3.83Å; D394-K397 PolarHBondContact OD1-NZ 3.14Å; D394-Q398 PolarHBondContact O-N 3.33Å |
| 395 | L | 94.6 | Very high | 88.9 | Confident | 17 Ų | 17 | 72.1 Ų | 72.1 | 9% | 0.089 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 168.7 | -75.3 | 172.2 | 0 | 0 | 0 | 111.9 | L320 L346 M349 A350 A353 V391 K397 Q398 | L320-L395 HydrophobicContact CD1-CD1 3.56Å; L346-L395 HydrophobicContact CD2-CD2 4.46Å; M349-L395 HydrophobicContact CE-CD1 4.24Å; A350-L395 WeakPolarHBondContact CA-O 3.43Å; A350-L395 VanDerWaalsContact CB-O 3.27Å; A350-L395 WeakPolarHBondContact CB-O 3.48Å; A353-L395 HydrophobicContact CB-CB 3.74Å; V391-L395 HydrophobicContact CG1-CD1 4.24Å; V391-L395 WeakPolarHBondContact O-CB 3.31Å; V391-L395 WeakPolarHBondContact O-CG 3.39Å; V391-L395 PolarHBondContact O-N 3.35Å; V391-L395 VanDerWaalsContact O-N 3.13Å; L395-K397 VanDerWaalsContact C-N 3.27Å; L395-K397 PolarHBondContact O-N 3.25Å; L395-Q398 WeakPolarHBondContact O-CB 3.29Å; L395-Q398 PolarHBondContact O-N 3.28Å; L395-Q398 VanDerWaalsContact O-N 3.12Å |
| 396 | A | 94.3 | Very high | 88.4 | Confident | 14 Ų | 14 | 70.4 Ų | 70.4 | 12% | 0.116 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.9 | -32.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A353 K354 V357 V392 K393 D394 Q398 A399 | A353-A396 HydrophobicContact CB-CB 4.2Å; K354-A396 HydrophobicContact CB-CB 4.44Å; V357-A396 HydrophobicContact CB-CB 4.34Å; V357-A396 HydrophobicContact CG2-CB 3.67Å; V392-A396 WeakPolarHBondContact O-CB 3.23Å; V392-A396 PolarHBondContact O-N 3.47Å; K393-A396 PolarHBondContact O-N 3.39Å; D394-A396 VanDerWaalsContact C-N 3.34Å; D394-A396 PolarHBondContact O-N 2.77Å; A396-Q398 VanDerWaalsContact C-N 3.32Å; A396-A399 PolarHBondContact O-N 3.21Å |
| 397 | K | 92.6 | Very high | 87.8 | Confident | 127 Ų | 127 | 70.2 Ų | 70.2 | 55% | 0.552 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -68 | -32.4 | 175.6 | -70 | 166.3 | -166.1 | 161 | 0 | 112.3 | K393 D394 L395 A399 A400 | K393-K397 WeakPolarHBondContact O-CG 3.37Å; K393-K397 PolarHBondContact O-N 3.31Å; D394-K397 PolarHBondContact O-N 3.25Å; D394-K397 IonicContact OD1-NZ 3.83Å; D394-K397 PolarHBondContact OD1-NZ 3.14Å; L395-K397 VanDerWaalsContact C-N 3.27Å; L395-K397 PolarHBondContact O-N 3.25Å; K397-A399 VanDerWaalsContact C-N 3.28Å; K397-A399 PolarHBondContact O-N 3.25Å; K397-A400 PolarHBondContact O-N 3.07Å |
| 398 | Q | 89.7 | Confident | 87.2 | Confident | 93 Ų | 93 | 75.1 Ų | 75.1 | 44% | 0.435 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.4 | -28.9 | 179.1 | -65.2 | 173.3 | 8.1 | 0 | 0 | 112.2 | A350 D394 L395 A396 A400 Q401 | A350-Q398 HydrophobicContact CB-CB 4.21Å; D394-Q398 PolarHBondContact O-N 3.33Å; L395-Q398 WeakPolarHBondContact O-CB 3.29Å; L395-Q398 PolarHBondContact O-N 3.28Å; L395-Q398 VanDerWaalsContact O-N 3.12Å; A396-Q398 VanDerWaalsContact C-N 3.32Å; Q398-A400 PolarHBondContact O-N 3.28Å; Q398-Q401 PolarHBondContact O-N 3.25Å |
| 399 | A | 79.9 | Confident | 86.6 | Confident | 18 Ų | 18 | 70.8 Ų | 70.8 | 15% | 0.149 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -10.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A350 K354 A396 K397 | A350-A399 HydrophobicContact CB-CB 3.81Å; K354-A399 HydrophobicContact CB-CB 4.19Å; K354-A399 HydrophobicContact CD-CB 4.43Å; A396-A399 PolarHBondContact O-N 3.21Å; K397-A399 VanDerWaalsContact C-N 3.28Å; K397-A399 PolarHBondContact O-N 3.25Å |
| 400 | A | 59.4 | Low | 85.9 | Confident | 93 Ų | 93 | 74 Ų | 74 | 77% | 0.769 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -5.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K397 Q398 | K397-A400 PolarHBondContact O-N 3.07Å; Q398-A400 PolarHBondContact O-N 3.28Å |
| 401 | Q | 45.8 | Very low | 85.1 | Confident | 220 Ų | 220 | 73.5 Ų | 73.5 | 100% | 1.028 | 39% | 0.391 | S | S | * | . | trans | -94.9 | 0 | 171.5 | -64.8 | 178.8 | -15.1 | 0 | 0 | 108.5 | Q398 | Q398-Q401 PolarHBondContact O-N 3.25Š|
Retrieved 401 of 401 residues in 568.3 ms
(Link to these results)