| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40 | Very low | 37.7 | Very low | 255 Ų | 255 | 165 Ų | 165 | 100% | 1.256 | 85% | 0.851 | S | S | * | * | 0 | 134.7 | 0 | -71.8 | 170 | 172.6 | 0 | 0 | 107.2 | |||||
| 2 | A | 34.8 | Very low | 37.3 | Very low | 96 Ų | 96 | 157.8 Ų | 157.8 | 79% | 0.793 | 85% | 0.847 | S | S | * | * | trans | -125.6 | 143.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 3 | G | 33.6 | Very low | 37.3 | Very low | 76 Ų | 76 | 158.8 Ų | 158.8 | 78% | 0.784 | 84% | 0.844 | S | S | * | * | trans | -87.6 | 160.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 4 | F | 39.8 | Very low | 37.1 | Very low | 207 Ų | 207 | 160.5 Ų | 160.5 | 91% | 0.908 | 85% | 0.852 | S | S | * | * | trans | -104.5 | 125.5 | 177.8 | -77.4 | -92.5 | 0 | 0 | 0 | 111.4 | ||||
| 5 | H | 42.1 | Very low | 36.6 | Very low | 173 Ų | 173 | 155.2 Ų | 155.2 | 80% | 0.801 | 85% | 0.85 | S | S | * | * | trans | -133.3 | 133.1 | 159.2 | -80.3 | -75.7 | 0 | 0 | 0 | 108.8 | ||||
| 6 | L | 41.3 | Very low | 36.7 | Very low | 131 Ų | 131 | 156.8 Ų | 156.8 | 69% | 0.686 | 85% | 0.85 | S | S | * | * | trans | 44.7 | 133.5 | 141 | -53 | 170.2 | 0 | 0 | 0 | 118 | ||||
| 7 | F | 33 | Very low | 37.3 | Very low | 193 Ų | 193 | 153.9 Ų | 153.9 | 85% | 0.846 | 84% | 0.842 | S | S | * | * | -169 | 148.1 | 71.9 | -88.4 | -75 | 0 | 0 | 0 | 112.2 | |||||
| 8 | S | 37.1 | Very low | 37.3 | Very low | 119 Ų | 119 | 154.2 Ų | 154.2 | 83% | 0.832 | 84% | 0.841 | S | S | * | * | trans | -140.8 | 122.3 | 170.1 | -58.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 9 | R | 32.3 | Very low | 38 | Very low | 245 Ų | 245 | 152.8 Ų | 152.8 | 93% | 0.925 | 84% | 0.84 | S | S | * | * | trans | -177.4 | 166.6 | 167.6 | -114.2 | -168.2 | 165 | -155.9 | -6 | 110 | ||||
| 10 | P | 49 | Very low | 37.6 | Very low | 107 Ų | 107 | 149.3 Ų | 149.3 | 70% | 0.695 | 84% | 0.84 | S | S | * | * | cis | -126.5 | 177.1 | -12.7 | 37.2 | -20.6 | 0 | 0 | 0 | 114.4 | ||||
| 11 | Y | 31.2 | Very low | 37.2 | Very low | 213 Ų | 213 | 146 Ų | 146 | 84% | 0.835 | 84% | 0.84 | S | S | * | * | trans | -64.7 | 163.3 | 162.2 | -100 | -124.2 | 0 | 0 | 0 | 112.5 | E13 | Y11-E13 HydrophobicContact CD1-CG 4.31Š| ||
| 12 | G | 33.5 | Very low | 36.9 | Very low | 78 Ų | 78 | 143.1 Ų | 143.1 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -127.9 | 120.6 | 148.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 13 | E | 37.3 | Very low | 37 | Very low | 172 Ų | 172 | 144.4 Ų | 144.4 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -94.2 | 148.4 | 173.2 | -65.8 | 171.7 | 112.2 | 0 | 0 | 110.4 | Y11 | Y11-E13 HydrophobicContact CD1-CG 4.31Š| ||
| 14 | L | 34.2 | Very low | 36.9 | Very low | 182 Ų | 182 | 150.1 Ų | 150.1 | 95% | 0.953 | 83% | 0.83 | S | S | * | * | trans | -165.5 | 132.2 | 139.4 | -135.4 | 77.6 | 0 | 0 | 0 | 111.1 | ||||
| 15 | G | 30.4 | Very low | 36.5 | Very low | 81 Ų | 81 | 150.2 Ų | 150.2 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | trans | 99.1 | 91.3 | 158.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 16 | E | 37.2 | Very low | 36 | Very low | 180 Ų | 180 | 146.9 Ų | 146.9 | 84% | 0.841 | 83% | 0.833 | S | S | * | * | trans | -101.8 | 156.3 | 144.1 | -139.9 | -173.5 | -118.5 | 0 | 0 | 107.2 | ||||
| 17 | P | 47.3 | Very low | 35.7 | Very low | 109 Ų | 109 | 145 Ų | 145 | 71% | 0.708 | 84% | 0.836 | S | S | * | * | -154.8 | 156.9 | 87 | 38.6 | -19.2 | 0 | 0 | 0 | 118.7 | |||||
| 18 | L | 37.8 | Very low | 36 | Very low | 159 Ų | 159 | 141 Ų | 141 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | trans | 76.5 | 153 | 151 | -96 | 82.2 | 0 | 0 | 0 | 121.2 | ||||
| 19 | P | 49.8 | Very low | 35.9 | Very low | 127 Ų | 127 | 143.7 Ų | 143.7 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | trans | -122.7 | 179.7 | -163.9 | 45.3 | -33.5 | 0 | 0 | 0 | 115.3 | ||||
| 20 | G | 29.4 | Very low | 35.7 | Very low | 82 Ų | 82 | 135.5 Ų | 135.5 | 85% | 0.845 | 83% | 0.825 | S | S | * | * | trans | 142.6 | 133.7 | 153.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 21 | G | 29.4 | Very low | 34.8 | Very low | 81 Ų | 81 | 142.5 Ų | 142.5 | 84% | 0.835 | 84% | 0.838 | S | S | * | * | trans | 136 | 106.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 22 | E | 34.1 | Very low | 35.2 | Very low | 195 Ų | 195 | 138 Ų | 138 | 91% | 0.911 | 84% | 0.835 | S | S | * | * | trans | -80 | 151.7 | 164.9 | -67.8 | -169.3 | 125.6 | 0 | 0 | 110.8 | ||||
| 23 | P | 36.6 | Very low | 35.2 | Very low | 123 Ų | 123 | 143 Ų | 143 | 80% | 0.799 | 84% | 0.837 | S | S | * | * | trans | -92.1 | 112.5 | -179.2 | 33.9 | -31.6 | 0 | 0 | 0 | 112.8 | ||||
| 24 | E | 32 | Very low | 35.6 | Very low | 196 Ų | 196 | 140.2 Ų | 140.2 | 92% | 0.916 | 83% | 0.834 | S | S | * | * | trans | -98.8 | 158 | 161.6 | -80.3 | -154.2 | 125.6 | 0 | 0 | 112.7 | ||||
| 25 | F | 31.2 | Very low | 35.7 | Very low | 209 Ų | 209 | 137.3 Ų | 137.3 | 92% | 0.917 | 83% | 0.829 | S | S | * | * | trans | -84.6 | 131.3 | -164.6 | -81.9 | -111.2 | 0 | 0 | 0 | 114 | ||||
| 26 | A | 32.9 | Very low | 35.8 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 85% | 0.851 | 83% | 0.831 | S | S | * | * | trans | -144.9 | 95.3 | 155.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 27 | A | 34.1 | Very low | 35.8 | Very low | 91 Ų | 91 | 138.3 Ų | 138.3 | 75% | 0.752 | 83% | 0.829 | S | S | * | * | trans | -86.7 | 153 | 159.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 28 | P | 39.6 | Very low | 35.4 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 71% | 0.708 | 83% | 0.831 | S | S | * | * | -149.4 | 173.8 | 60.3 | 43.5 | -25.3 | 0 | 0 | 0 | 117.3 | |||||
| 29 | L | 34 | Very low | 35.1 | Very low | 176 Ų | 176 | 143.6 Ų | 143.6 | 92% | 0.921 | 84% | 0.839 | S | S | * | * | trans | 67.1 | 127.4 | 163.7 | -61.6 | 163.4 | 0 | 0 | 0 | 117.9 | ||||
| 30 | G | 28.2 | Very low | 34.3 | Very low | 72 Ų | 72 | 142.2 Ų | 142.2 | 74% | 0.742 | 84% | 0.838 | S | S | * | * | trans | 135.1 | 42.3 | 158.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 31 | W | 31.3 | Very low | 34.3 | Very low | 255 Ų | 255 | 150.2 Ų | 150.2 | 97% | 0.966 | 84% | 0.843 | S | S | * | * | trans | -115.5 | 131.4 | 166.4 | -74.9 | 91 | 0 | 0 | 0 | 111.3 | ||||
| 32 | P | 38.6 | Very low | 34.9 | Very low | 118 Ų | 118 | 152.5 Ų | 152.5 | 77% | 0.766 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 137.3 | 176.7 | 34.1 | -32.2 | 0 | 0 | 0 | 112.6 | ||
| 33 | E | 34.7 | Very low | 35.1 | Very low | 184 Ų | 184 | 149.5 Ų | 149.5 | 86% | 0.86 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 156.2 | 165.2 | -106.1 | -152.1 | 115.2 | 0 | 0 | 112 | ||
| 34 | P | 44 | Very low | 34.8 | Very low | 113 Ų | 113 | 147.4 Ų | 147.4 | 73% | 0.734 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 133.5 | -178.2 | 33 | -33.6 | 0 | 0 | 0 | 112.6 | ||
| 35 | S | 36.3 | Very low | 34.8 | Very low | 121 Ų | 121 | 143 Ų | 143 | 85% | 0.846 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 132.6 | -175.6 | 57.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 36 | L | 33.9 | Very low | 35.1 | Very low | 167 Ų | 167 | 141.9 Ų | 141.9 | 87% | 0.874 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 155.7 | 172.3 | -73.8 | 155.7 | 0 | 0 | 0 | 113.3 | ||
| 37 | S | 36.3 | Very low | 35 | Very low | 114 Ų | 114 | 145.1 Ų | 145.1 | 80% | 0.797 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 136.8 | 175.4 | 57.7 | 0 | 0 | 0 | 0 | 113.6 | ||
| 38 | P | 39.8 | Very low | 35 | Very low | 117 Ų | 117 | 149.1 Ų | 149.1 | 76% | 0.76 | 84% | 0.838 | S | S | * | * | trans | -127.3 | 110 | 164.3 | 34.2 | -18.2 | 0 | 0 | 0 | 113 | ||||
| 39 | W | 30.1 | Very low | 34.6 | Very low | 263 Ų | 263 | 149.6 Ų | 149.6 | 100% | 0.996 | 84% | 0.839 | S | S | * | * | trans | -118.4 | 85.2 | 163.3 | -98.7 | 83.6 | 0 | 0 | 0 | 109.9 | ||||
| 40 | A | 32.9 | Very low | 34.2 | Very low | 97 Ų | 97 | 149.8 Ų | 149.8 | 80% | 0.802 | 84% | 0.835 | S | S | * | * | trans | -159.5 | 95.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 41 | R | 30.8 | Very low | 34.6 | Very low | 251 Ų | 251 | 152.9 Ų | 152.9 | 95% | 0.947 | 84% | 0.839 | S | S | * | * | trans | -160 | 149.6 | 146.8 | -119.4 | 176.9 | -175.4 | -155 | -1.8 | 112.7 | ||||
| 42 | T | 40.6 | Very low | 35.3 | Very low | 129 Ų | 129 | 145.5 Ų | 145.5 | 79% | 0.791 | 82% | 0.824 | S | S | * | * | trans | -78.6 | 166.5 | 171.9 | 46.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 43 | P | 39.5 | Very low | 35 | Very low | 132 Ų | 132 | 150.1 Ų | 150.1 | 86% | 0.857 | 83% | 0.827 | S | S | * | * | -138 | 176.8 | 104.7 | 40 | -30.4 | 0 | 0 | 0 | 113.4 | |||||
| 44 | G | 30.2 | Very low | 34.9 | Very low | 78 Ų | 78 | 145.1 Ų | 145.1 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -161.8 | 133.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 45 | A | 32.9 | Very low | 34.3 | Very low | 104 Ų | 104 | 146.3 Ų | 146.3 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | trans | -165.3 | 157.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 46 | E | 35.9 | Very low | 34.2 | Very low | 186 Ų | 186 | 149.3 Ų | 149.3 | 87% | 0.869 | 82% | 0.82 | S | S | * | * | trans | -94.4 | 160.8 | -171.4 | -62.8 | 145.6 | 156.6 | 0 | 0 | 112.6 | ||||
| 47 | I | 30.4 | Very low | 34.1 | Very low | 170 Ų | 170 | 149.5 Ų | 149.5 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | trans | -173.7 | 164.2 | 131.3 | -95.7 | 156.5 | 0 | 0 | 0 | 109.2 | ||||
| 48 | E | 35.6 | Very low | 33.9 | Very low | 175 Ų | 175 | 150.2 Ų | 150.2 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -98.1 | -168.5 | -153.4 | -52.4 | 174.9 | 105.9 | 0 | 0 | 115.3 | ||||
| 49 | T | 30.1 | Very low | 33.6 | Very low | 119 Ų | 119 | 150 Ų | 150 | 73% | 0.73 | 82% | 0.819 | S | S | * | * | trans | 92.1 | 126.8 | 154.3 | 7.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 50 | E | 26.9 | Very low | 33.8 | Very low | 181 Ų | 181 | 142.5 Ų | 142.5 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | 64.8 | 119 | 145.4 | -81.7 | 164.8 | -151.2 | 0 | 0 | 123.7 | ||||
| 51 | V | 35.2 | Very low | 33.7 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | -81.6 | 136.7 | 158.6 | 167.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 52 | P | 45.7 | Very low | 33.7 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 66% | 0.656 | 80% | 0.8 | S | S | * | * | -158.9 | 157 | 91.2 | 41.1 | -20.4 | 0 | 0 | 0 | 121.3 | |||||
| 53 | W | 33.8 | Very low | 33.5 | Very low | 215 Ų | 215 | 141 Ų | 141 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | trans | 57.4 | 129.9 | 152.2 | -59.8 | 124.8 | 0 | 0 | 0 | 122.3 | H55 | W53-H55 AromaticContact CE3-NE2 3.77Å; W53-H55 AromaticContact CZ3-CE1 3.76Å; W53-H55 AromaticContact CZ3-NE2 3.35Å; W53-H55 WeakPolarHBondContact CZ3-NE2 3.42Å | ||
| 54 | G | 31.7 | Very low | 33.1 | Very low | 79 Ų | 79 | 140.4 Ų | 140.4 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | -175.1 | 82.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 55 | H | 32.7 | Very low | 33.2 | Very low | 137 Ų | 137 | 148 Ų | 148 | 63% | 0.634 | 81% | 0.811 | S | S | * | * | trans | -94.5 | 136.2 | -169.1 | -86.5 | -46 | 0 | 0 | 0 | 115.5 | W53 | W53-H55 AromaticContact CE3-NE2 3.77Å; W53-H55 AromaticContact CZ3-CE1 3.76Å; W53-H55 AromaticContact CZ3-NE2 3.35Å; W53-H55 WeakPolarHBondContact CZ3-NE2 3.42Å | ||
| 56 | Q | 33.1 | Very low | 33.2 | Very low | 184 Ų | 184 | 153 Ų | 153 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | -152.8 | 116.9 | 129 | -98.3 | 167.1 | 43.7 | 0 | 0 | 106 | |||||
| 57 | K | 32.1 | Very low | 32.9 | Very low | 172 Ų | 172 | 154.4 Ų | 154.4 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | 57.5 | 123.1 | 70.4 | -61.8 | -173.3 | 179.8 | 178.8 | 0 | 111.1 | |||||
| 58 | C | 31.4 | Very low | 32.9 | Very low | 129 Ų | 129 | 149.9 Ų | 149.9 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | cis | -131.6 | 149.7 | 29.1 | -72.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 59 | S | 33.6 | Very low | 32.5 | Very low | 113 Ų | 113 | 146.7 Ų | 146.7 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | -80.2 | 175.7 | 169.1 | -60.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 60 | S | 34.1 | Very low | 32.5 | Very low | 105 Ų | 105 | 149.5 Ų | 149.5 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | cis | 179.7 | 165.9 | -25.4 | 61.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 61 | A | 31.4 | Very low | 32.7 | Very low | 97 Ų | 97 | 145.4 Ų | 145.4 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | 66.1 | 174.6 | 142.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 62 | A | 31.6 | Very low | 32.8 | Very low | 98 Ų | 98 | 146.7 Ų | 146.7 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | cis | -145.3 | 169.6 | 7.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 63 | R | 35.9 | Very low | 32.9 | Very low | 251 Ų | 251 | 148 Ų | 148 | 95% | 0.947 | 81% | 0.805 | S | S | * | * | trans | -87.5 | 156.8 | 174 | -66.6 | 172.8 | 172.3 | 162.7 | -4.4 | 111.8 | ||||
| 64 | S | 30.3 | Very low | 33 | Very low | 118 Ų | 118 | 147.3 Ų | 147.3 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -95.6 | 148 | 175.6 | 60.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 65 | R | 33 | Very low | 32.9 | Very low | 239 Ų | 239 | 150.8 Ų | 150.8 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | trans | -150.2 | 121.1 | 161.6 | -94 | -163.4 | 174.5 | -160.5 | 0.3 | 113.1 | ||||
| 66 | R | 32.4 | Very low | 33.6 | Very low | 209 Ų | 209 | 149.2 Ų | 149.2 | 79% | 0.789 | 80% | 0.802 | S | S | * | * | trans | 50.9 | 121.6 | 145.4 | -78 | -171.5 | 178.6 | -108.3 | 2.3 | 121.9 | ||||
| 67 | R | 30.7 | Very low | 33.5 | Very low | 215 Ų | 215 | 149.8 Ų | 149.8 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | 93.9 | 110.9 | 125 | -163.5 | -158.1 | -59.4 | -100.2 | 14.3 | 118.1 | |||||
| 68 | G | 28.6 | Very low | 34.1 | Very low | 75 Ų | 75 | 146.5 Ų | 146.5 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | -163.9 | 136 | 155 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 69 | S | 27.8 | Very low | 34.7 | Very low | 107 Ų | 107 | 148.3 Ų | 148.3 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -133.1 | 125 | -176 | -60.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 70 | M | 31 | Very low | 34.7 | Very low | 178 Ų | 178 | 148.4 Ų | 148.4 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | -165 | 146.5 | 165.2 | -82.2 | -61.5 | 102 | 0 | 0 | 104 | ||||
| 71 | S | 31.5 | Very low | 34.6 | Very low | 96 Ų | 96 | 152.5 Ų | 152.5 | 67% | 0.671 | 81% | 0.806 | S | S | * | * | cis | 174.8 | 149 | -9.9 | 45.4 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 72 | L | 36.7 | Very low | 34.9 | Very low | 162 Ų | 162 | 154.2 Ų | 154.2 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | trans | -67.3 | 161.5 | 179.5 | -67.8 | 95.7 | 0 | 0 | 0 | 112.2 | ||||
| 73 | P | 47.8 | Very low | 34.9 | Very low | 129 Ų | 129 | 154.1 Ų | 154.1 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | -108 | 160.7 | 126.1 | 33 | -33.8 | 0 | 0 | 0 | 112 | |||||
| 74 | R | 35.5 | Very low | 34.8 | Very low | 200 Ų | 200 | 153.5 Ų | 153.5 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -130.5 | 125.1 | -172.1 | 158.5 | -155.9 | -178.3 | -102.6 | 13.9 | 107.2 | ||||
| 75 | E | 30.4 | Very low | 35.4 | Very low | 153 Ų | 153 | 159 Ų | 159 | 72% | 0.715 | 81% | 0.806 | S | S | * | * | trans | -167.6 | 166.1 | 137.7 | -126.2 | 109.1 | -114.6 | 0 | 0 | 112 | ||||
| 76 | S | 46.2 | Very low | 36 | Very low | 103 Ų | 103 | 153.9 Ų | 153.9 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | trans | -133 | 134.1 | -171.9 | -48.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 77 | H | 32 | Very low | 36.4 | Very low | 197 Ų | 197 | 148.1 Ų | 148.1 | 91% | 0.912 | 80% | 0.8 | S | S | * | * | trans | -142.3 | 147.8 | 160 | -81.8 | -62.8 | 0 | 0 | 0 | 112 | ||||
| 78 | S | 44.3 | Very low | 36.7 | Very low | 103 Ų | 103 | 144.7 Ų | 144.7 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | -116.9 | 154.7 | 176.7 | 51.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 79 | L | 43.1 | Very low | 37 | Very low | 167 Ų | 167 | 152.5 Ų | 152.5 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | -176.5 | 165.1 | 123.3 | -100.6 | 167 | 0 | 0 | 0 | 112.9 | |||||
| 80 | T | 34 | Very low | 37.4 | Very low | 114 Ų | 114 | 151.6 Ų | 151.6 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | trans | -81.7 | 151.8 | -179.6 | 48.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 81 | H | 33 | Very low | 37.6 | Very low | 192 Ų | 192 | 154.4 Ų | 154.4 | 89% | 0.889 | 80% | 0.804 | S | S | * | * | trans | -149 | 159.6 | 138.7 | -128.1 | -89.6 | 0 | 0 | 0 | 113.2 | ||||
| 82 | V | 36.9 | Very low | 37.9 | Very low | 132 Ų | 132 | 159.7 Ų | 159.7 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | trans | -102.3 | 135.1 | -165.8 | 175.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 83 | A | 32.6 | Very low | 38 | Very low | 96 Ų | 96 | 160.3 Ų | 160.3 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | trans | -152.3 | 117.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 84 | R | 32.2 | Very low | 37.3 | Very low | 239 Ų | 239 | 166 Ų | 166 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | trans | 22.8 | 131.6 | 152.9 | -67.3 | -178.1 | 170.7 | -172 | -3.8 | 122.2 | ||||
| 85 | R | 43.3 | Very low | 37.4 | Very low | 234 Ų | 234 | 162.4 Ų | 162.4 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | trans | -60.4 | 153.1 | 149.5 | -71.7 | 178.9 | 175.3 | 162.1 | -2.7 | 111.3 | ||||
| 86 | P | 45.8 | Very low | 37.5 | Very low | 130 Ų | 130 | 158.5 Ų | 158.5 | 84% | 0.844 | 82% | 0.824 | S | S | * | * | -111.5 | -177.3 | 110.1 | -13.1 | 31 | 0 | 0 | 0 | 113.2 | |||||
| 87 | A | 40.3 | Very low | 36.9 | Very low | 89 Ų | 89 | 159.3 Ų | 159.3 | 74% | 0.736 | 83% | 0.83 | S | S | * | * | trans | -121.2 | 158.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 88 | D | 38.7 | Very low | 36.9 | Very low | 142 Ų | 142 | 161.3 Ų | 161.3 | 76% | 0.759 | 83% | 0.829 | S | S | * | * | trans | 56 | 116 | 150 | -163.2 | 10.9 | 0 | 0 | 0 | 120.3 | ||||
| 89 | R | 34.5 | Very low | 36.3 | Very low | 239 Ų | 239 | 164.8 Ų | 164.8 | 90% | 0.902 | 83% | 0.834 | S | S | * | * | trans | -167 | 124.8 | 132 | -105.4 | 157.8 | -169.7 | -156.7 | 0.9 | 113.7 | ||||
| 90 | A | 35.2 | Very low | 36.1 | Very low | 89 Ų | 89 | 164.5 Ų | 164.5 | 74% | 0.736 | 83% | 0.833 | S | S | * | * | trans | 16.2 | 112 | 154.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 91 | R | 35.5 | Very low | 36.2 | Very low | 237 Ų | 237 | 165.6 Ų | 165.6 | 89% | 0.894 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 122.1 | 160.3 | -68.4 | -173.7 | -179.2 | -145.3 | -0.2 | 110.5 | ||
| 92 | K | 38 | Very low | 36.4 | Very low | 206 Ų | 206 | 165.9 Ų | 165.9 | 90% | 0.896 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 121.9 | 164.8 | -66.7 | -175.6 | 178.4 | -176.6 | 0 | 109.4 | ||
| 93 | H | 39 | Very low | 36.4 | Very low | 175 Ų | 175 | 164.4 Ų | 164.4 | 81% | 0.81 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -76 | 137.2 | 168 | -82.6 | -110.8 | 0 | 0 | 0 | 110 | ||
| 94 | R | 32.8 | Very low | 36.5 | Very low | 250 Ų | 250 | 166.3 Ų | 166.3 | 94% | 0.943 | 84% | 0.843 | S | S | * | * | trans | -107.6 | 86.6 | -177 | -160.1 | -175.1 | -159.6 | -155.3 | 7.1 | 109.4 | G96 | R94-G96 PolarHBondContact O-N 2.77Š| ||
| 95 | S | 37.9 | Very low | 36.6 | Very low | 123 Ų | 123 | 158.7 Ų | 158.7 | 86% | 0.86 | 84% | 0.839 | S | S | * | * | trans | -69.9 | 121.3 | 174.1 | -59 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 96 | G | 32.9 | Very low | 36.2 | Very low | 71 Ų | 71 | 157.2 Ų | 157.2 | 73% | 0.732 | 84% | 0.842 | S | S | * | * | trans | -144.8 | 58.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R94 R98 | R94-G96 PolarHBondContact O-N 2.77Å; G96-R98 PolarHBondContact O-N 3.37Å | ||
| 97 | S | 32.3 | Very low | 35.7 | Very low | 120 Ų | 120 | 155.4 Ų | 155.4 | 84% | 0.839 | 84% | 0.838 | S | S | * | * | trans | -71.9 | 101.1 | 172.5 | 47.6 | 0 | 0 | 0 | 0 | 110.1 | Q99 | S97-Q99 PolarHBondContact O-N 3.16Š| ||
| 98 | R | 33.2 | Very low | 35.5 | Very low | 240 Ų | 240 | 157 Ų | 157 | 91% | 0.906 | 84% | 0.841 | S | S | * | * | trans | -69.6 | 112.2 | 162.4 | -91 | -172 | 167.7 | -163.8 | -4.5 | 108.7 | G96 | G96-R98 PolarHBondContact O-N 3.37Š| ||
| 99 | Q | 31.7 | Very low | 35.2 | Very low | 175 Ų | 175 | 157.3 Ų | 157.3 | 82% | 0.818 | 85% | 0.849 | S | S | * | * | trans | -71.1 | 138.5 | 162 | -172.1 | 169.7 | -7.3 | 0 | 0 | 108.5 | S97 | S97-Q99 PolarHBondContact O-N 3.16Š| ||
| 100 | L | 38.8 | Very low | 35.2 | Very low | 161 Ų | 161 | 155 Ų | 155 | 84% | 0.843 | 85% | 0.845 | S | S | * | * | trans | -140.7 | 127.4 | 169.2 | -117.4 | 173 | 0 | 0 | 0 | 106.6 | ||||
| 101 | D | 35 | Very low | 35.1 | Very low | 137 Ų | 137 | 155.5 Ų | 155.5 | 73% | 0.733 | 84% | 0.844 | S | S | * | * | trans | -66.3 | 143.9 | 171.9 | -68.1 | -68.9 | 0 | 0 | 0 | 110.9 | ||||
| 102 | E | 37.6 | Very low | 35 | Very low | 199 Ų | 199 | 149.1 Ų | 149.1 | 93% | 0.93 | 84% | 0.835 | S | S | * | * | -151.6 | 129.6 | 129.9 | -117.8 | 169.7 | -155.6 | 0 | 0 | 108.8 | |||||
| 103 | A | 37.8 | Very low | 34.9 | Very low | 101 Ų | 101 | 150.7 Ų | 150.7 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | trans | -87.8 | 153.2 | -166.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 104 | C | 34.3 | Very low | 34.6 | Very low | 135 Ų | 135 | 148.4 Ų | 148.4 | 91% | 0.912 | 83% | 0.834 | S | S | * | * | trans | -155.8 | 105.2 | 165.3 | -134 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 105 | G | 34.1 | Very low | 34.4 | Very low | 79 Ų | 79 | 148.8 Ų | 148.8 | 81% | 0.814 | 84% | 0.836 | S | S | * | * | trans | 74.8 | 104.8 | 145.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 106 | E | 35 | Very low | 34.1 | Very low | 203 Ų | 203 | 152.3 Ų | 152.3 | 95% | 0.949 | 84% | 0.838 | S | S | * | * | trans | -71.4 | 140.7 | 158.9 | -58.2 | 173.4 | 114.8 | 0 | 0 | 111.5 | ||||
| 107 | A | 34.1 | Very low | 34.3 | Very low | 92 Ų | 92 | 157.3 Ų | 157.3 | 76% | 0.76 | 84% | 0.843 | S | S | * | * | trans | -154.8 | 134.4 | 154.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 108 | P | 37.5 | Very low | 34.2 | Very low | 123 Ų | 123 | 161.1 Ų | 161.1 | 80% | 0.799 | 85% | 0.847 | S | S | * | * | trans | -88.7 | 134.9 | -162.4 | 32.7 | -35.9 | 0 | 0 | 0 | 114.6 | ||||
| 109 | T | 31.1 | Very low | 34.3 | Very low | 149 Ų | 149 | 158.3 Ų | 158.3 | 91% | 0.914 | 84% | 0.844 | S | S | * | * | trans | -80.3 | 115.3 | 167.2 | 34.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 110 | K | 35.3 | Very low | 34.9 | Very low | 189 Ų | 189 | 155.8 Ų | 155.8 | 82% | 0.822 | 84% | 0.843 | S | S | * | * | trans | -108.4 | 116.2 | 169.3 | -81.6 | -169.6 | 174.4 | -177.6 | 0 | 112.5 | ||||
| 111 | S | 33.4 | Very low | 35 | Very low | 101 Ų | 101 | 153.8 Ų | 153.8 | 71% | 0.706 | 84% | 0.84 | S | S | * | * | trans | 49.7 | 110.5 | 143.1 | 61.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 112 | S | 33.1 | Very low | 35.3 | Very low | 103 Ų | 103 | 153 Ų | 153 | 72% | 0.72 | 84% | 0.842 | S | S | * | * | 73.6 | 131.9 | 123.8 | 69 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 113 | R | 35.1 | Very low | 36.3 | Very low | 238 Ų | 238 | 148.8 Ų | 148.8 | 90% | 0.898 | 83% | 0.832 | S | S | * | * | trans | 45.3 | 129.8 | 142.8 | -61.3 | -176.3 | 177.9 | -163.8 | 0.8 | 117.8 | ||||
| 114 | T | 32.9 | Very low | 36.1 | Very low | 128 Ų | 128 | 151.9 Ų | 151.9 | 79% | 0.785 | 84% | 0.835 | S | S | * | * | cis | -149 | 150.1 | 43.6 | 42.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 115 | W | 29.6 | Very low | 36.2 | Very low | 258 Ų | 258 | 153.9 Ų | 153.9 | 98% | 0.977 | 83% | 0.831 | S | S | * | * | trans | -78 | 126.8 | 158.5 | -80.4 | 80.5 | 0 | 0 | 0 | 110.3 | ||||
| 116 | Q | 31 | Very low | 36.5 | Very low | 196 Ų | 196 | 155.7 Ų | 155.7 | 92% | 0.916 | 83% | 0.828 | S | S | * | * | trans | -144.9 | 160.3 | 148.2 | -117.1 | -177.1 | 18.8 | 0 | 0 | 110.4 | ||||
| 117 | Q | 38 | Very low | 36.5 | Very low | 177 Ų | 177 | 151.3 Ų | 151.3 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | trans | -120.4 | 123.7 | -154.3 | 168 | -162.3 | 86.1 | 0 | 0 | 110.5 | ||||
| 118 | Q | 30.4 | Very low | 37 | Very low | 199 Ų | 199 | 152.6 Ų | 152.6 | 93% | 0.93 | 82% | 0.819 | S | S | * | * | trans | -142.8 | 139.2 | 156.9 | -68.7 | -164.7 | 1.4 | 0 | 0 | 110.5 | ||||
| 119 | Q | 34.5 | Very low | 36.5 | Very low | 181 Ų | 181 | 152.5 Ų | 152.5 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | trans | -112.8 | 146.4 | 167.2 | -65.4 | -174 | -64.9 | 0 | 0 | 108.7 | ||||
| 120 | P | 43.9 | Very low | 36.5 | Very low | 122 Ų | 122 | 156.1 Ų | 156.1 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -79 | 142.1 | 175.4 | 32 | -34 | 0 | 0 | 0 | 112 | ||
| 121 | P | 41.9 | Very low | 37.2 | Very low | 119 Ų | 119 | 152.9 Ų | 152.9 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -88 | 155.5 | 174.3 | 34.9 | -34.5 | 0 | 0 | 0 | 113.3 | ||
| 122 | P | 41.6 | Very low | 37.3 | Very low | 121 Ų | 121 | 152.4 Ų | 152.4 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 168.5 | 170 | 36 | -34.9 | 0 | 0 | 0 | 112.8 | ||
| 123 | P | 57.9 | Low | 37.4 | Very low | 110 Ų | 110 | 151.9 Ų | 151.9 | 71% | 0.714 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 153.3 | -170.3 | 37.3 | -35.5 | 0 | 0 | 0 | 115.2 | ||
| 124 | D | 33.5 | Very low | 37.6 | Very low | 167 Ų | 167 | 146.9 Ų | 146.9 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | -176.8 | 170.1 | 120.9 | -96.4 | -22.6 | 0 | 0 | 0 | 112.6 | |||||
| 125 | Q | 36.7 | Very low | 37.5 | Very low | 177 Ų | 177 | 144.7 Ų | 144.7 | 83% | 0.827 | 82% | 0.823 | S | S | * | * | trans | -90 | 172.1 | 179.8 | -101.1 | -171.3 | 47.7 | 0 | 0 | 112.4 | ||||
| 126 | P | 40.2 | Very low | 37.5 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | cis | -140.7 | -177 | 28.4 | 42.4 | -22.4 | 0 | 0 | 0 | 117.7 | ||||
| 127 | C | 34 | Very low | 37.6 | Very low | 112 Ų | 112 | 135 Ų | 135 | 76% | 0.757 | 81% | 0.81 | S | S | * | * | trans | -80.5 | 166.9 | 174.7 | -53 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 128 | P | 45.6 | Very low | 37.5 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | -149.2 | 166 | 111.6 | 39.7 | -25.1 | 0 | 0 | 0 | 117.8 | |||||
| 129 | S | 26.2 | Very low | 38.2 | Very low | 122 Ų | 122 | 128.6 Ų | 128.6 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | 84.6 | 138.8 | 153.8 | -60.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 130 | Y | 31.2 | Very low | 38.8 | Very low | 225 Ų | 225 | 126 Ų | 126 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | trans | -116.2 | 161.9 | -178.5 | -98.4 | -85.4 | 0 | 0 | 0 | 110.4 | ||||
| 131 | P | 50.3 | Low | 38.1 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | -142.1 | 137.2 | 88.7 | 26.2 | -4.4 | 0 | 0 | 0 | 114.8 | |||||
| 132 | A | 35.6 | Very low | 39 | Very low | 91 Ų | 91 | 130.8 Ų | 130.8 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | 78.1 | 139.5 | 93 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 133 | A | 35.5 | Very low | 38.3 | Very low | 92 Ų | 92 | 128.9 Ų | 128.9 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | cis | -166.2 | -154.8 | -6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 134 | P | 40.3 | Very low | 37 | Very low | 133 Ų | 133 | 127.1 Ų | 127.1 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | -116.2 | 163.9 | -54.9 | 33.3 | -19.2 | 0 | 0 | 0 | 113.5 | |||||
| 135 | G | 29 | Very low | 36.9 | Very low | 81 Ų | 81 | 123.5 Ų | 123.5 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | -171.3 | 115 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 136 | V | 30.3 | Very low | 36.6 | Very low | 141 Ų | 141 | 124.4 Ų | 124.4 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | -87.9 | 140.5 | -164.7 | -158.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 137 | S | 33.3 | Very low | 36.1 | Very low | 110 Ų | 110 | 124.6 Ų | 124.6 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | 143.3 | 146 | 130.2 | -63.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 138 | S | 35.8 | Very low | 37.2 | Very low | 116 Ų | 116 | 124.8 Ų | 124.8 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | -108.4 | 158.2 | 174.1 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 139 | P | 44.8 | Very low | 36.6 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | trans | -92.4 | 152.8 | -174.4 | 35.8 | -35.8 | 0 | 0 | 0 | 114.9 | ||||
| 140 | P | 47.8 | Very low | 36.7 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -97 | 170.6 | 168.2 | 37.4 | -33.2 | 0 | 0 | 0 | 114.2 | ||||
| 141 | Y | 28.8 | Very low | 36.7 | Very low | 225 Ų | 225 | 120.7 Ų | 120.7 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | trans | -116.9 | -174 | -178.5 | -132.7 | -118.9 | 0 | 0 | 0 | 108.8 | ||||
| 142 | P | 60.6 | Low | 35.6 | Very low | 117 Ų | 117 | 118.4 Ų | 118.4 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | -112.7 | -171.5 | -71.2 | 41.3 | -28.2 | 0 | 0 | 0 | 113.2 | |||||
| 143 | G | 26.5 | Very low | 35.3 | Very low | 81 Ų | 81 | 120.8 Ų | 120.8 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | -153.7 | 154.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 144 | G | 30.4 | Very low | 35.4 | Very low | 73 Ų | 73 | 123.9 Ų | 123.9 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | -158.2 | -146.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 145 | A | 31.3 | Very low | 35.6 | Very low | 92 Ų | 92 | 123 Ų | 123 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | trans | 75.8 | 156.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 146 | F | 31.1 | Very low | 35.9 | Very low | 196 Ų | 196 | 126.7 Ų | 126.7 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | cis | -172.2 | 148.4 | -35.9 | -107.6 | -61.6 | 0 | 0 | 0 | 108.6 | ||||
| 147 | S | 29.8 | Very low | 35.8 | Very low | 120 Ų | 120 | 126.5 Ų | 126.5 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | 176.6 | 134.9 | 143.5 | -83.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 148 | P | 56.3 | Low | 36 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | trans | -122.9 | -160.3 | 174.5 | 42.9 | -31 | 0 | 0 | 0 | 113.9 | ||||
| 149 | Q | 33.4 | Very low | 35.9 | Very low | 178 Ų | 178 | 127.5 Ų | 127.5 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | 95.7 | 149.9 | 175.5 | -59.2 | -166.4 | 35.3 | 0 | 0 | 116.1 | ||||
| 150 | S | 28.7 | Very low | 35.4 | Very low | 97 Ų | 97 | 128.7 Ų | 128.7 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | cis | -166.9 | 131.1 | -16.8 | -94.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 151 | A | 30.5 | Very low | 34.5 | Very low | 105 Ų | 105 | 130 Ų | 130 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | 90.9 | 140 | 88.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 152 | G | 28.2 | Very low | 34.8 | Very low | 72 Ų | 72 | 123 Ų | 123 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | 96.5 | 148.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 153 | T | 29.1 | Very low | 33.8 | Very low | 141 Ų | 141 | 124.7 Ų | 124.7 | 87% | 0.865 | 77% | 0.772 | S | S | * | * | cis | -158.3 | 158.7 | -5.6 | -47.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 154 | L | 36.9 | Very low | 34.3 | Very low | 158 Ų | 158 | 131.2 Ų | 131.2 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | -102.5 | 153.9 | 173.4 | -71.3 | 170.8 | 0 | 0 | 0 | 112.7 | ||||
| 155 | P | 45.1 | Very low | 34.4 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | -132.3 | 155.6 | 112.4 | 8.6 | 14.6 | 0 | 0 | 0 | 112.9 | |||||
| 156 | L | 34.7 | Very low | 34.6 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | 63 | 127.3 | 71 | -125.4 | 64.6 | 0 | 0 | 0 | 111.7 | |||||
| 157 | E | 28.6 | Very low | 34.8 | Very low | 138 Ų | 138 | 137.2 Ų | 137.2 | 65% | 0.645 | 78% | 0.78 | S | S | * | * | cis | -165.2 | -171.6 | 4 | -137.7 | -167.8 | 176.7 | 0 | 0 | 109.4 | ||||
| 158 | K | 37.4 | Very low | 35.3 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 60% | 0.596 | 77% | 0.774 | S | S | * | * | cis | -164.3 | 149 | -0.2 | -159.3 | -174.5 | -156.4 | 75.6 | 0 | 111.1 | ||||
| 159 | T | 33.9 | Very low | 34.4 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | trans | 61.3 | 157.6 | 157.4 | 34.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 160 | H | 33.5 | Very low | 34.3 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | cis | -151.6 | 150.9 | 7.3 | -134 | -54 | 0 | 0 | 0 | 113.7 | ||||
| 161 | N | 30.2 | Very low | 34.6 | Very low | 153 Ų | 153 | 141.3 Ų | 141.3 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | 56.2 | 140.2 | 156.3 | -73.9 | 0.7 | 0 | 0 | 0 | 122.6 | ||||
| 162 | G | 33.8 | Very low | 34.6 | Very low | 78 Ų | 78 | 145.7 Ų | 145.7 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 159 | 41 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 163 | D | 40.9 | Very low | 35 | Very low | 153 Ų | 153 | 148.2 Ų | 148.2 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | 19.1 | 130.3 | -179.2 | -74.9 | -37 | 0 | 0 | 0 | 123.8 | ||||
| 164 | R | 35.6 | Very low | 35.1 | Very low | 218 Ų | 218 | 144.8 Ų | 144.8 | 82% | 0.823 | 77% | 0.765 | S | S | * | * | trans | -87 | 125.3 | 177.9 | -64.8 | 157 | -79.4 | -140.9 | -7.9 | 111.3 | ||||
| 165 | W | 32.7 | Very low | 35 | Very low | 264 Ų | 264 | 145.8 Ų | 145.8 | 100% | 1 | 77% | 0.77 | S | S | * | * | trans | -153.4 | 52.8 | 146.5 | -82.1 | 118 | 0 | 0 | 0 | 112.3 | ||||
| 166 | A | 36.3 | Very low | 34.3 | Very low | 88 Ų | 88 | 152 Ų | 152 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -144 | 130.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110 | P168 | A166-P168 WeakPolarHBondContact O-CD 3.29Š| ||
| 167 | V | 35.6 | Very low | 34.1 | Very low | 135 Ų | 135 | 149.5 Ų | 149.5 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -107.5 | 108.1 | 173.8 | 176.5 | 0 | 0 | 0 | 0 | 108.6 | V169 | V167-V169 HydrophobicContact CG1-CG2 4.34Š| ||
| 168 | P | 39.3 | Very low | 35.1 | Very low | 108 Ų | 108 | 148.6 Ų | 148.6 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | trans | -92.5 | 102.8 | 174.2 | 33.5 | -29.3 | 0 | 0 | 0 | 110.5 | A166 | A166-P168 WeakPolarHBondContact O-CD 3.29Š| ||
| 169 | V | 37.9 | Very low | 34.5 | Very low | 137 Ų | 137 | 147 Ų | 147 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | trans | -85.1 | 124.8 | 162 | 179.8 | 0 | 0 | 0 | 0 | 108.2 | V167 | V167-V169 HydrophobicContact CG1-CG2 4.34Š| ||
| 170 | Y | 31.8 | Very low | 34.3 | Very low | 174 Ų | 174 | 146.8 Ų | 146.8 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | trans | -83.7 | 141.6 | -171.7 | -118.6 | -122.3 | 0 | 0 | 0 | 112.6 | ||||
| 171 | R | 33.8 | Very low | 34.2 | Very low | 176 Ų | 176 | 145.5 Ų | 145.5 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | trans | 22.4 | 133.5 | 149.6 | -53.7 | -179 | -168.3 | -149.7 | 3.6 | 119 | ||||
| 172 | H | 30.5 | Very low | 34.1 | Very low | 197 Ų | 197 | 145.2 Ų | 145.2 | 91% | 0.912 | 79% | 0.791 | S | S | * | * | -126.5 | 144.9 | 111.3 | -113.7 | -87.1 | 0 | 0 | 0 | 110.5 | |||||
| 173 | V | 37.9 | Very low | 33.9 | Very low | 126 Ų | 126 | 147.5 Ų | 147.5 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | trans | -113.9 | 131.9 | 172.6 | 174 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 174 | G | 31 | Very low | 33.1 | Very low | 68 Ų | 68 | 146 Ų | 146 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | trans | -171.7 | 69.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 175 | L | 34.5 | Very low | 32.9 | Very low | 179 Ų | 179 | 143.4 Ų | 143.4 | 94% | 0.937 | 78% | 0.776 | S | S | * | * | trans | 66 | 173.4 | 152.5 | -58.4 | 172.6 | 0 | 0 | 0 | 118.8 | ||||
| 176 | W | 31.4 | Very low | 32.7 | Very low | 244 Ų | 244 | 136.3 Ų | 136.3 | 92% | 0.924 | 77% | 0.766 | S | S | * | * | trans | -124.4 | 134.4 | -163.8 | -93.4 | 2.5 | 0 | 0 | 0 | 113.1 | ||||
| 177 | S | 30.1 | Very low | 32.4 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | 69.6 | -178.4 | 140 | -50.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 178 | P | 48.1 | Very low | 32.1 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | -135.8 | -176.8 | -78.2 | 42.4 | -27.2 | 0 | 0 | 0 | 115.5 | |||||
| 179 | S | 25 | Very low | 31.6 | Very low | 103 Ų | 103 | 139 Ų | 139 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | 99.7 | 143.1 | 154.6 | -165.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 180 | S | 30.9 | Very low | 31.2 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | 66.7 | 155.2 | 153.9 | 26.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 181 | V | 29.8 | Very low | 31.1 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | cis | 178.7 | 167.1 | -32.2 | 128.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 182 | L | 29.8 | Very low | 31 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | 79.7 | 135.9 | -178.7 | -64.5 | 144.7 | 0 | 0 | 0 | 114.3 | ||||
| 183 | T | 27.9 | Very low | 30.8 | Very low | 125 Ų | 125 | 136 Ų | 136 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | cis | 85 | 132 | 41.7 | -62.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 184 | D | 25.7 | Very low | 30.4 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 65% | 0.652 | 78% | 0.776 | S | S | * | * | cis | -171.3 | 170.3 | -9.5 | 172.8 | 31.7 | 0 | 0 | 0 | 108.1 | ||||
| 185 | K | 30.5 | Very low | 30.3 | Very low | 164 Ų | 164 | 143.8 Ų | 143.8 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | trans | 74 | 115.7 | 167.2 | -42.5 | -166.6 | -178.9 | 179.3 | 0 | 116.7 | ||||
| 186 | S | 28.1 | Very low | 29.9 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | 67.8 | 138.4 | 97.3 | 81.3 | 0 | 0 | 0 | 0 | 115 | |||||
| 187 | S | 31.6 | Very low | 29.8 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | cis | -157.4 | 165.1 | 8.7 | 46.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 188 | G | 28.8 | Very low | 29.7 | Very low | 65 Ų | 65 | 143.7 Ų | 143.7 | 67% | 0.67 | 77% | 0.768 | S | S | * | * | cis | 123.9 | 107.8 | 6.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 189 | H | 27.9 | Very low | 28.8 | Very low | 206 Ų | 206 | 143.8 Ų | 143.8 | 95% | 0.954 | 77% | 0.771 | S | S | * | * | trans | -157.1 | 161.7 | 160.2 | -111.7 | 59.3 | 0 | 0 | 0 | 109.8 | ||||
| 190 | S | 29.8 | Very low | 29.1 | Very low | 95 Ų | 95 | 144.5 Ų | 144.5 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | trans | -124.7 | 149.1 | -159.4 | -166.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 191 | L | 29.6 | Very low | 29.1 | Very low | 177 Ų | 177 | 149 Ų | 149 | 93% | 0.927 | 78% | 0.78 | S | S | * | * | trans | -143.4 | 137.4 | 142.5 | -154 | 75.7 | 0 | 0 | 0 | 108.8 | ||||
| 192 | E | 31.1 | Very low | 29.2 | Very low | 160 Ų | 160 | 153.1 Ų | 153.1 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -94.6 | 152.7 | -169.1 | -61 | 167 | 117.6 | 0 | 0 | 111.7 | ||||
| 193 | F | 27.5 | Very low | 29.5 | Very low | 191 Ų | 191 | 157.9 Ų | 157.9 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | -152.7 | 154.1 | 113.9 | -127.2 | -86 | 0 | 0 | 0 | 112.7 | |||||
| 194 | E | 29.9 | Very low | 29.5 | Very low | 149 Ų | 149 | 155.1 Ų | 155.1 | 70% | 0.696 | 79% | 0.793 | S | S | * | * | trans | -76.6 | 144.7 | -158.4 | -52.1 | 175.8 | 102.8 | 0 | 0 | 115.5 | ||||
| 195 | F | 28 | Very low | 29.7 | Very low | 208 Ų | 208 | 155.6 Ų | 155.6 | 91% | 0.912 | 81% | 0.805 | S | S | * | * | trans | -152.7 | 98.9 | 137.2 | -120.9 | -75.2 | 0 | 0 | 0 | 111.1 | ||||
| 196 | R | 26.7 | Very low | 29.7 | Very low | 198 Ų | 198 | 151.4 Ų | 151.4 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | trans | -114.7 | 100.7 | -173.2 | -172 | -178.6 | -177.1 | -169.3 | 1.9 | 112.4 | Q198 | R196-Q198 HydrophobicContact CG-CG 4.09Š| ||
| 197 | K | 28.8 | Very low | 30.2 | Very low | 201 Ų | 201 | 153.7 Ų | 153.7 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -88.5 | 125.2 | 159.2 | -76.6 | -170.6 | 175.7 | -178.5 | 0 | 109.7 | ||||
| 198 | Q | 28.2 | Very low | 30.2 | Very low | 129 Ų | 129 | 159.8 Ų | 159.8 | 60% | 0.603 | 82% | 0.817 | S | S | * | * | trans | -96.4 | 138.7 | -179.2 | -55.2 | -178.1 | 19 | 0 | 0 | 110.3 | R196 | R196-Q198 HydrophobicContact CG-CG 4.09Š| ||
| 199 | S | 29.6 | Very low | 30.5 | Very low | 121 Ų | 121 | 163.1 Ų | 163.1 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | trans | -139.7 | 108.6 | 154.7 | 57.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 200 | T | 30.3 | Very low | 30.7 | Very low | 118 Ų | 118 | 161.7 Ų | 161.7 | 72% | 0.724 | 82% | 0.819 | S | S | * | * | trans | -100.6 | 109.8 | -172.2 | 35.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 201 | Q | 31.2 | Very low | 31 | Very low | 198 Ų | 198 | 162.3 Ų | 162.3 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | trans | -70.5 | 128.3 | 148.8 | -79.5 | -169.8 | -38 | 0 | 0 | 108.2 | ||||
| 202 | K | 32.9 | Very low | 31.3 | Very low | 212 Ų | 212 | 162 Ų | 162 | 92% | 0.922 | 82% | 0.821 | S | S | * | * | trans | -133.5 | 153.4 | 159.6 | -123.8 | -170.6 | -177.5 | -171.5 | 0 | 110.1 | ||||
| 203 | R | 36.4 | Very low | 31.2 | Very low | 247 Ų | 247 | 158 Ų | 158 | 93% | 0.932 | 82% | 0.815 | S | S | * | * | trans | -112.9 | 133.6 | -167.5 | 178.6 | -169.1 | -64.4 | -130 | 1.1 | 110.1 | ||||
| 204 | G | 25.9 | Very low | 31.6 | Very low | 67 Ų | 67 | 156.5 Ų | 156.5 | 69% | 0.691 | 82% | 0.816 | S | S | * | * | trans | -166.1 | 136.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 205 | S | 30.1 | Very low | 31.8 | Very low | 131 Ų | 131 | 157.5 Ų | 157.5 | 92% | 0.916 | 82% | 0.821 | S | S | * | * | cis | 103.5 | 111.7 | 27.8 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 206 | G | 30.9 | Very low | 31.9 | Very low | 77 Ų | 77 | 157.6 Ų | 157.6 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | trans | 121.7 | 121.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 207 | D | 38.6 | Very low | 32.3 | Very low | 161 Ų | 161 | 153.2 Ų | 153.2 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | trans | -86.2 | 167.5 | 166.6 | -71 | -65.7 | 0 | 0 | 0 | 111.5 | ||||
| 208 | R | 32.3 | Very low | 32.8 | Very low | 244 Ų | 244 | 152 Ų | 152 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | 74.1 | 146.9 | -176.7 | -51.9 | 177.1 | 163.4 | -157.2 | -5.8 | 113.7 | ||||
| 209 | T | 35.4 | Very low | 33.5 | Very low | 136 Ų | 136 | 151.4 Ų | 151.4 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | cis | -123.2 | 168.8 | 7 | 47 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 210 | E | 32.3 | Very low | 33.8 | Very low | 176 Ų | 176 | 150 Ų | 150 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | -69.8 | 166.4 | 169.3 | -58.2 | 166.5 | 115.4 | 0 | 0 | 112.7 | ||||
| 211 | S | 35.8 | Very low | 34.1 | Very low | 107 Ų | 107 | 150.9 Ų | 150.9 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | trans | 43.1 | 116.4 | 147.4 | -60.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 212 | L | 34.5 | Very low | 34.6 | Very low | 170 Ų | 170 | 146.9 Ų | 146.9 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | -177.1 | 163.5 | 107.3 | -101.3 | 164.3 | 0 | 0 | 0 | 115 | |||||
| 213 | A | 30.7 | Very low | 34.6 | Very low | 76 Ų | 76 | 142 Ų | 142 | 63% | 0.628 | 80% | 0.803 | S | S | * | * | trans | 57.8 | 104.9 | 150.3 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 214 | N | 34.9 | Very low | 34.9 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | -47.9 | 135.4 | 130.8 | -85.5 | -35.6 | 0 | 0 | 0 | 110.2 | ||||
| 215 | Q | 34.8 | Very low | 36 | Very low | 170 Ų | 170 | 142.3 Ų | 142.3 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -162.9 | 109.7 | 133.1 | -112 | 158 | 115.7 | 0 | 0 | 114.4 | ||||
| 216 | Y | 30.2 | Very low | 37 | Very low | 210 Ų | 210 | 141 Ų | 141 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | 63.9 | 144.8 | 126.8 | -88.3 | -97.1 | 0 | 0 | 0 | 123.7 | |||||
| 217 | S | 34.1 | Very low | 37.9 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | trans | 83 | 116.5 | 147.5 | -62.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 218 | Q | 40.4 | Very low | 38.9 | Very low | 175 Ų | 175 | 136.4 Ų | 136.4 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | -64.3 | 174.1 | 144.8 | -62.1 | -175.4 | -24.7 | 0 | 0 | 110.4 | ||||
| 219 | P | 41.3 | Very low | 40 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 77% | 0.766 | 73% | 0.731 | S | S | * | * | -137.5 | 144.9 | 101.5 | 18.5 | 1.7 | 0 | 0 | 0 | 116.3 | |||||
| 220 | S | 36 | Very low | 40.9 | Very low | 92 Ų | 92 | 130.4 Ų | 130.4 | 64% | 0.643 | 72% | 0.722 | S | S | * | * | trans | 61.3 | 96.8 | 134 | -52.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 221 | T | 38.1 | Very low | 42.3 | Very low | 136 Ų | 136 | 124.3 Ų | 124.3 | 83% | 0.834 | 70% | 0.702 | S | S | * | * | 35.5 | 114.6 | 116.6 | 59.5 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 222 | S | 40.4 | Very low | 43.5 | Very low | 113 Ų | 113 | 125.4 Ų | 125.4 | 79% | 0.79 | 70% | 0.695 | S | S | * | * | trans | -163.1 | 158.5 | 130.1 | -164 | 0 | 0 | 0 | 0 | 112 | ||||
| 223 | C | 32.6 | Very low | 44.6 | Very low | 111 Ų | 111 | 121.1 Ų | 121.1 | 75% | 0.75 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 51.1 | 85.1 | 163.7 | -73.2 | 0 | 0 | 0 | 0 | 119.6 | ||
| 224 | K | 43.5 | Very low | 46 | Very low | 169 Ų | 169 | 122.4 Ų | 122.4 | 74% | 0.735 | 67% | 0.671 | S | S | * | * | 166.6 | 67.6 | 113 | -88.3 | 176.8 | -178.3 | -177.6 | 0 | 112.7 | T226 S227 | K224-T226 PolarHBondContact O-N 2.96Å; K224-S227 WeakPolarHBondContact O-CB 3.49Å; K224-S227 PolarHBondContact O-N 3.44Å; K224-S227 VanDerWaalsContact O-N 3.07Å | |||
| 225 | E | 48.7 | Very low | 47 | Very low | 150 Ų | 150 | 121.5 Ų | 121.5 | 70% | 0.701 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -62.4 | -27.6 | 178.6 | -165.2 | 164.9 | 172.7 | 0 | 0 | 113.6 | S227 S228 Q229 | E225-S227 VanDerWaalsContact C-N 3.25Å; E225-S227 PolarHBondContact O-N 3.33Å; E225-S228 WeakPolarHBondContact O-CA 3.33Å; E225-S228 VanDerWaalsContact O-CB 3.28Å; E225-S228 WeakPolarHBondContact O-CB 3.45Å; E225-S228 PolarHBondContact O-N 3.45Å; E225-Q229 PolarHBondContact O-N 3.34Å; E225-Q229 VanDerWaalsContact O-N 3.08Å |
| 226 | T | 51.5 | Low | 48.1 | Very low | 103 Ų | 103 | 115.4 Ų | 115.4 | 63% | 0.632 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -60.4 | -30.4 | 172.4 | 50.5 | 0 | 0 | 0 | 0 | 113.6 | K224 Q230 | K224-T226 PolarHBondContact O-N 2.96Å; T226-Q230 WeakPolarHBondContact O-CB 3.48Å; T226-Q230 PolarHBondContact O-N 3.01Å |
| 227 | S | 50.4 | Low | 49.3 | Very low | 75 Ų | 75 | 111.2 Ų | 111.2 | 52% | 0.524 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -70 | -37.5 | 173.1 | -170.2 | 0 | 0 | 0 | 0 | 111.4 | K224 E225 A231 | K224-S227 WeakPolarHBondContact O-CB 3.49Å; K224-S227 PolarHBondContact O-N 3.44Å; K224-S227 VanDerWaalsContact O-N 3.07Å; E225-S227 VanDerWaalsContact C-N 3.25Å; E225-S227 PolarHBondContact O-N 3.33Å; S227-A231 WeakPolarHBondContact O-CB 3.48Å; S227-A231 PolarHBondContact O-N 2.99Å |
| 228 | S | 58.2 | Low | 50.3 | Low | 68 Ų | 68 | 112.3 Ų | 112.3 | 48% | 0.476 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -62.7 | -50.5 | 175.8 | -165.9 | 0 | 0 | 0 | 0 | 110.6 | E225 Q230 A231 Q232 | E225-S228 WeakPolarHBondContact O-CA 3.33Å; E225-S228 VanDerWaalsContact O-CB 3.28Å; E225-S228 WeakPolarHBondContact O-CB 3.45Å; E225-S228 PolarHBondContact O-N 3.45Å; S228-Q230 PolarHBondContact O-N 2.99Å; S228-A231 PolarHBondContact O-N 3.18Å; S228-Q232 WeakPolarHBondContact O-CB 3.3Å; S228-Q232 PolarHBondContact O-N 2.81Å |
| 229 | Q | 56.4 | Low | 50.9 | Low | 117 Ų | 117 | 110.2 Ų | 110.2 | 55% | 0.547 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -61.5 | -44.5 | 178.8 | -67.4 | -179 | 0.2 | 0 | 0 | 112.1 | E225 Q232 V233 | E225-Q229 PolarHBondContact O-N 3.34Å; E225-Q229 VanDerWaalsContact O-N 3.08Å; Q229-Q232 PolarHBondContact O-N 2.88Å; Q229-V233 WeakPolarHBondContact O-CB 3.48Å; Q229-V233 VanDerWaalsContact O-CG2 3.31Å; Q229-V233 WeakPolarHBondContact O-CG2 3.43Å; Q229-V233 PolarHBondContact O-N 3.05Å |
| 230 | Q | 54.5 | Low | 51.3 | Low | 137 Ų | 137 | 110.2 Ų | 110.2 | 64% | 0.64 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.2 | -38.3 | 178.1 | -165.3 | 174.5 | 18.9 | 0 | 0 | 112.4 | T226 S228 L234 | T226-Q230 WeakPolarHBondContact O-CB 3.48Å; T226-Q230 PolarHBondContact O-N 3.01Å; S228-Q230 PolarHBondContact O-N 2.99Å; Q230-L234 HydrophobicContact CG-CD1 4.26Å; Q230-L234 VanDerWaalsContact O-CB 3.31Å; Q230-L234 WeakPolarHBondContact O-CB 3.48Å; Q230-L234 VanDerWaalsContact O-CG 3.26Å; Q230-L234 WeakPolarHBondContact O-CG 3.45Å; Q230-L234 PolarHBondContact O-N 3.21Å |
| 231 | A | 61.3 | Low | 52.2 | Low | 48 Ų | 48 | 108.4 Ų | 108.4 | 40% | 0.397 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -70 | -32.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S227 S228 K235 | S227-A231 WeakPolarHBondContact O-CB 3.48Å; S227-A231 PolarHBondContact O-N 2.99Å; S228-A231 PolarHBondContact O-N 3.18Å; A231-K235 WeakPolarHBondContact O-CB 3.36Å; A231-K235 VanDerWaalsContact O-CG 3.27Å; A231-K235 WeakPolarHBondContact O-CG 3.31Å; A231-K235 PolarHBondContact O-N 2.87Å |
| 232 | Q | 60.6 | Low | 53.5 | Low | 130 Ų | 130 | 110.3 Ų | 110.3 | 61% | 0.607 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -77.1 | -36.1 | 177.9 | -171.2 | 169.6 | 1.1 | 0 | 0 | 111.7 | S228 Q229 K235 S236 | S228-Q232 WeakPolarHBondContact O-CB 3.3Å; S228-Q232 PolarHBondContact O-N 2.81Å; Q229-Q232 PolarHBondContact O-N 2.88Å; Q232-K235 PolarHBondContact O-N 3.38Å; Q232-S236 WeakPolarHBondContact O-CB 3.28Å; Q232-S236 PolarHBondContact O-N 3.49Å |
| 233 | V | 58.6 | Low | 54.5 | Low | 80 Ų | 80 | 109.1 Ų | 109.1 | 49% | 0.485 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70.5 | -38.6 | 169.9 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | Q229 K235 S236 K237 | Q229-V233 WeakPolarHBondContact O-CB 3.48Å; Q229-V233 VanDerWaalsContact O-CG2 3.31Å; Q229-V233 WeakPolarHBondContact O-CG2 3.43Å; Q229-V233 PolarHBondContact O-N 3.05Å; V233-K235 VanDerWaalsContact C-N 3.33Å; V233-S236 PolarHBondContact O-N 2.97Å; V233-S236 PolarHBondContact O-OG 3.28Å; V233-K237 HydrophobicContact CG1-CG 4.19Å; V233-K237 VanDerWaalsContact O-CB 3.24Å; V233-K237 WeakPolarHBondContact O-CB 3.5Å; V233-K237 WeakPolarHBondContact O-CG 3.37Å; V233-K237 PolarHBondContact O-N 3.06Å |
| 234 | L | 59.3 | Low | 56.8 | Low | 103 Ų | 103 | 106.7 Ų | 106.7 | 54% | 0.539 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68 | -32.8 | 173.7 | -75.4 | 170.9 | 0 | 0 | 0 | 112.3 | Q230 L238 | Q230-L234 HydrophobicContact CG-CD1 4.26Å; Q230-L234 VanDerWaalsContact O-CB 3.31Å; Q230-L234 WeakPolarHBondContact O-CB 3.48Å; Q230-L234 VanDerWaalsContact O-CG 3.26Å; Q230-L234 WeakPolarHBondContact O-CG 3.45Å; Q230-L234 PolarHBondContact O-N 3.21Å; L234-L238 WeakPolarHBondContact O-CB 3.46Å; L234-L238 WeakPolarHBondContact O-CD1 3.47Å; L234-L238 VanDerWaalsContact O-CG 3.32Å; L234-L238 WeakPolarHBondContact O-CG 3.46Å; L234-L238 PolarHBondContact O-N 3.42Å |
| 235 | K | 55.8 | Low | 58.6 | Low | 140 Ų | 140 | 103.4 Ų | 103.4 | 61% | 0.609 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.6 | -52.1 | 168.5 | -78.8 | 173.5 | 177.9 | -178.2 | 0 | 111.4 | A231 Q232 V233 K237 L238 D239 | A231-K235 WeakPolarHBondContact O-CB 3.36Å; A231-K235 VanDerWaalsContact O-CG 3.27Å; A231-K235 WeakPolarHBondContact O-CG 3.31Å; A231-K235 PolarHBondContact O-N 2.87Å; Q232-K235 PolarHBondContact O-N 3.38Å; V233-K235 VanDerWaalsContact C-N 3.33Å; K235-K237 PolarHBondContact O-N 3.24Å; K235-L238 CarbonylContact O-C 3.53Å; K235-L238 WeakPolarHBondContact O-CA 3.33Å; K235-L238 PolarHBondContact O-N 3.05Å; K235-D239 PolarHBondContact O-N 3.14Å |
| 236 | S | 57.2 | Low | 60.6 | Low | 43 Ų | 43 | 105 Ų | 105 | 30% | 0.301 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.2 | -34.8 | 178.4 | 81.3 | 0 | 0 | 0 | 0 | 111.7 | Q232 V233 L238 D239 E240 | Q232-S236 WeakPolarHBondContact O-CB 3.28Å; Q232-S236 PolarHBondContact O-N 3.49Å; V233-S236 PolarHBondContact O-N 2.97Å; V233-S236 PolarHBondContact O-OG 3.28Å; S236-L238 VanDerWaalsContact C-N 3.3Å; S236-L238 PolarHBondContact O-N 3.03Å; S236-D239 PolarHBondContact O-N 3.01Å; S236-E240 WeakPolarHBondContact O-CA 3.43Å; S236-E240 WeakPolarHBondContact O-CB 3.44Å; S236-E240 WeakPolarHBondContact O-CG 3.49Å; S236-E240 PolarHBondContact O-N 3.44Å |
| 237 | K | 56.1 | Low | 62.4 | Low | 122 Ų | 122 | 103.5 Ų | 103.5 | 53% | 0.53 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -70.9 | -17.9 | 173.2 | -71.2 | -71.8 | 165.8 | -138.9 | 0 | 114.8 | V233 K235 E240 A241 | V233-K237 HydrophobicContact CG1-CG 4.19Å; V233-K237 VanDerWaalsContact O-CB 3.24Å; V233-K237 WeakPolarHBondContact O-CB 3.5Å; V233-K237 WeakPolarHBondContact O-CG 3.37Å; V233-K237 PolarHBondContact O-N 3.06Å; K235-K237 PolarHBondContact O-N 3.24Å; K237-E240 IonicContact NZ-OE2 2.79Å; K237-E240 PolarHBondContact NZ-OE2 3.19Å; K237-A241 WeakPolarHBondContact O-CB 3.46Å; K237-A241 PolarHBondContact O-N 3.07Å |
| 238 | L | 55.9 | Low | 64.4 | Low | 128 Ų | 128 | 105.3 Ų | 105.3 | 67% | 0.67 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -93.6 | -28.8 | 172.3 | -76.2 | 167.3 | 0 | 0 | 0 | 112.2 | L234 K235 S236 A241 | L234-L238 WeakPolarHBondContact O-CB 3.46Å; L234-L238 WeakPolarHBondContact O-CD1 3.47Å; L234-L238 VanDerWaalsContact O-CG 3.32Å; L234-L238 WeakPolarHBondContact O-CG 3.46Å; L234-L238 PolarHBondContact O-N 3.42Å; K235-L238 CarbonylContact O-C 3.53Å; K235-L238 WeakPolarHBondContact O-CA 3.33Å; K235-L238 PolarHBondContact O-N 3.05Å; S236-L238 VanDerWaalsContact C-N 3.3Å; S236-L238 PolarHBondContact O-N 3.03Å; L238-A241 WeakPolarHBondContact O-CB 3.44Å |
| 239 | D | 51.4 | Low | 66.1 | Low | 132 Ų | 132 | 109.1 Ų | 109.1 | 71% | 0.706 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -79.1 | -34.3 | 172.3 | -61.4 | -41.2 | 0 | 0 | 0 | 111.2 | K235 S236 A241 | K235-D239 PolarHBondContact O-N 3.14Å; S236-D239 PolarHBondContact O-N 3.01Å; D239-A241 VanDerWaalsContact C-N 3.3Å |
| 240 | E | 50 | Low | 67.9 | Low | 117 Ų | 117 | 107.5 Ų | 107.5 | 55% | 0.547 | 55% | 0.55 | S | S | . | . | S | Bend | trans | -77.1 | -9.7 | 168.1 | -72 | 173.5 | 173 | 0 | 0 | 112.9 | S236 K237 E242 | S236-E240 WeakPolarHBondContact O-CA 3.43Å; S236-E240 WeakPolarHBondContact O-CB 3.44Å; S236-E240 WeakPolarHBondContact O-CG 3.49Å; S236-E240 PolarHBondContact O-N 3.44Å; K237-E240 IonicContact NZ-OE2 2.79Å; K237-E240 PolarHBondContact NZ-OE2 3.19Å; E240-E242 PolarHBondContact O-N 2.9Å |
| 241 | A | 56 | Low | 69.8 | Low | 54 Ų | 54 | 105.2 Ų | 105.2 | 45% | 0.446 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -74.6 | 68.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | K237 L238 D239 I243 | K237-A241 WeakPolarHBondContact O-CB 3.46Å; K237-A241 PolarHBondContact O-N 3.07Å; L238-A241 WeakPolarHBondContact O-CB 3.44Å; D239-A241 VanDerWaalsContact C-N 3.3Å; A241-I243 PolarHBondContact O-N 2.88Å |
| 242 | E | 64.1 | Low | 71.5 | Confident | 176 Ų | 176 | 105.4 Ų | 105.4 | 82% | 0.822 | 54% | 0.543 | S | S | * | . | trans | -48.3 | 101.1 | -174.4 | -76.7 | -161.9 | 130.5 | 0 | 0 | 109.8 | E240 S244 | E240-E242 PolarHBondContact O-N 2.9Å; E242-S244 PolarHBondContact O-N 2.94Å | ||
| 243 | I | 62.2 | Low | 73.2 | Confident | 89 Ų | 89 | 103.5 Ų | 103.5 | 46% | 0.456 | 54% | 0.536 | S | S | . | . | trans | -55.6 | 117 | 177.5 | -57.4 | 174.8 | 0 | 0 | 0 | 105.2 | A241 S245 D247 Q248 L251 | A241-I243 PolarHBondContact O-N 2.88Å; I243-S245 PolarHBondContact O-N 3.16Å; I243-D247 HydrophobicContact CG2-CB 3.77Å; I243-Q248 HydrophobicContact CB-CG 3.88Å; I243-Q248 HydrophobicContact CG2-CG 3.73Å; I243-Q248 VanDerWaalsContact O-CG 3.31Å; I243-Q248 WeakPolarHBondContact O-CG 3.18Å; I243-Q248 PolarHBondContact O-NE2 2.91Å; I243-L251 HydrophobicContact CD1-CD1 4.41Å; I243-L251 HydrophobicContact CG2-CD1 4.1Å | ||
| 244 | S | 81.7 | Confident | 75.1 | Confident | 59 Ų | 59 | 103.2 Ų | 103.2 | 41% | 0.413 | 54% | 0.535 | S | S | . | . | trans | -50.9 | 144.6 | -172.1 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | E242 R246 D247 Q248 | E242-S244 PolarHBondContact O-N 2.94Å; S244-R246 CarbonylContact O-C 3.53Å; S244-R246 PolarHBondContact O-N 3.49Å; S244-D247 WeakPolarHBondContact CB-OD2 3.3Å; S244-D247 CarbonylContact O-C 3.54Å; S244-D247 WeakPolarHBondContact O-CA 3.49Å; S244-D247 PolarHBondContact O-N 2.97Å; S244-Q248 PolarHBondContact O-N 3.44Å | ||
| 245 | S | 81.6 | Confident | 76.9 | Confident | 100 Ų | 100 | 102.9 Ų | 102.9 | 70% | 0.699 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -54.7 | -26.9 | 177 | 61 | 0 | 0 | 0 | 0 | 112.5 | I243 K249 | I243-S245 PolarHBondContact O-N 3.16Å; S245-K249 VanDerWaalsContact O-CB 3.31Å; S245-K249 WeakPolarHBondContact O-CB 3.31Å; S245-K249 PolarHBondContact O-N 2.84Å |
| 246 | R | 89.2 | Confident | 78.9 | Confident | 183 Ų | 183 | 99.8 Ų | 99.8 | 69% | 0.691 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.5 | -49.2 | 167.1 | 179.3 | 177.7 | -179.3 | 156.7 | 0.3 | 112.8 | S244 K249 I250 | S244-R246 CarbonylContact O-C 3.53Å; S244-R246 PolarHBondContact O-N 3.49Å; R246-K249 WeakPolarHBondContact O-CB 3.31Å; R246-K249 PolarHBondContact O-N 3.42Å; R246-I250 HydrophobicContact CG-CD1 4.08Å; R246-I250 WeakPolarHBondContact O-CG1 3.4Å; R246-I250 PolarHBondContact O-N 2.96Å |
| 247 | D | 90.6 | Very high | 80.8 | Confident | 73 Ų | 73 | 106.6 Ų | 106.6 | 39% | 0.39 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -77.8 | -34.2 | -174.8 | -60.1 | -36.7 | 0 | 0 | 0 | 112 | I243 S244 K249 I250 L251 | I243-D247 HydrophobicContact CG2-CB 3.77Å; S244-D247 WeakPolarHBondContact CB-OD2 3.3Å; S244-D247 CarbonylContact O-C 3.54Å; S244-D247 WeakPolarHBondContact O-CA 3.49Å; S244-D247 PolarHBondContact O-N 2.97Å; D247-K249 VanDerWaalsContact C-N 3.28Å; D247-K249 PolarHBondContact O-N 3.36Å; D247-I250 PolarHBondContact O-N 3.33Å; D247-L251 WeakPolarHBondContact O-CB 3.27Å; D247-L251 WeakPolarHBondContact O-CG 3.35Å; D247-L251 PolarHBondContact O-N 3.45Å |
| 248 | Q | 90.9 | Very high | 82.8 | Confident | 113 Ų | 113 | 105.7 Ų | 105.7 | 53% | 0.528 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -57.5 | -43.1 | 166.3 | -65.7 | -176.8 | 22.3 | 0 | 0 | 111.1 | I243 S244 L251 A252 | I243-Q248 HydrophobicContact CB-CG 3.88Å; I243-Q248 HydrophobicContact CG2-CG 3.73Å; I243-Q248 VanDerWaalsContact O-CG 3.31Å; I243-Q248 WeakPolarHBondContact O-CG 3.18Å; I243-Q248 PolarHBondContact O-NE2 2.91Å; S244-Q248 PolarHBondContact O-N 3.44Å; Q248-L251 PolarHBondContact O-N 3.42Å; Q248-A252 VanDerWaalsContact O-CB 3.31Å; Q248-A252 WeakPolarHBondContact O-CB 3.47Å; Q248-A252 PolarHBondContact O-N 3.13Å |
| 249 | K | 94.6 | Very high | 84.8 | Confident | 148 Ų | 148 | 106.1 Ų | 106.1 | 64% | 0.643 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.5 | -36.5 | 175.8 | -175.8 | 174.5 | -179 | 175.3 | 0 | 112.3 | S245 R246 D247 L253 | S245-K249 VanDerWaalsContact O-CB 3.31Å; S245-K249 WeakPolarHBondContact O-CB 3.31Å; S245-K249 PolarHBondContact O-N 2.84Å; R246-K249 WeakPolarHBondContact O-CB 3.31Å; R246-K249 PolarHBondContact O-N 3.42Å; D247-K249 VanDerWaalsContact C-N 3.28Å; D247-K249 PolarHBondContact O-N 3.36Å; K249-L253 HydrophobicContact CG-CD1 4.38Å; K249-L253 WeakPolarHBondContact O-CB 3.41Å; K249-L253 WeakPolarHBondContact O-CG 3.29Å; K249-L253 PolarHBondContact O-N 2.9Å |
| 250 | I | 93.8 | Very high | 87 | Confident | 83 Ų | 83 | 107 Ų | 107 | 43% | 0.426 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.1 | -48.4 | 172.6 | -70.7 | 164.3 | 0 | 0 | 0 | 110.5 | R246 D247 A252 L253 V254 | R246-I250 HydrophobicContact CG-CD1 4.08Å; R246-I250 WeakPolarHBondContact O-CG1 3.4Å; R246-I250 PolarHBondContact O-N 2.96Å; D247-I250 PolarHBondContact O-N 3.33Å; I250-A252 PolarHBondContact O-N 2.89Å; I250-L253 WeakPolarHBondContact O-CB 3.4Å; I250-L253 PolarHBondContact O-N 3.05Å; I250-V254 HydrophobicContact CG2-CG2 4.38Å; I250-V254 WeakPolarHBondContact O-CG2 3.34Å; I250-V254 PolarHBondContact O-N 3.12Å |
| 251 | L | 95.8 | Very high | 89.2 | Confident | 88 Ų | 88 | 103.4 Ų | 103.4 | 46% | 0.461 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 176.8 | -71 | 171.8 | 0 | 0 | 0 | 111.5 | I243 D247 Q248 L253 V254 L255 | I243-L251 HydrophobicContact CD1-CD1 4.41Å; I243-L251 HydrophobicContact CG2-CD1 4.1Å; D247-L251 WeakPolarHBondContact O-CB 3.27Å; D247-L251 WeakPolarHBondContact O-CG 3.35Å; D247-L251 PolarHBondContact O-N 3.45Å; Q248-L251 PolarHBondContact O-N 3.42Å; L251-L253 VanDerWaalsContact C-N 3.33Å; L251-L253 PolarHBondContact O-N 3.27Å; L251-V254 PolarHBondContact O-N 3.35Å; L251-L255 WeakPolarHBondContact O-CB 3.37Å; L251-L255 VanDerWaalsContact O-CG 3.25Å; L251-L255 WeakPolarHBondContact O-CG 3.48Å; L251-L255 PolarHBondContact O-N 3.26Å |
| 252 | A | 95.6 | Very high | 91.2 | Very high | 52 Ų | 52 | 105.5 Ų | 105.5 | 43% | 0.43 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.1 | -39.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q248 I250 S256 | Q248-A252 VanDerWaalsContact O-CB 3.31Å; Q248-A252 WeakPolarHBondContact O-CB 3.47Å; Q248-A252 PolarHBondContact O-N 3.13Å; I250-A252 PolarHBondContact O-N 2.89Å; A252-S256 VanDerWaalsContact O-CB 3.23Å; A252-S256 WeakPolarHBondContact O-CB 3.37Å; A252-S256 PolarHBondContact O-N 3.5Å; A252-S256 PolarHBondContact O-OG 2.82Å |
| 253 | L | 97.3 | Very high | 92.8 | Very high | 90 Ų | 90 | 103.7 Ų | 103.7 | 47% | 0.471 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.6 | -43.5 | 173.7 | -83.2 | 164.3 | 0 | 0 | 0 | 112.4 | K249 I250 L251 S256 R257 | K249-L253 HydrophobicContact CG-CD1 4.38Å; K249-L253 WeakPolarHBondContact O-CB 3.41Å; K249-L253 WeakPolarHBondContact O-CG 3.29Å; K249-L253 PolarHBondContact O-N 2.9Å; I250-L253 WeakPolarHBondContact O-CB 3.4Å; I250-L253 PolarHBondContact O-N 3.05Å; L251-L253 VanDerWaalsContact C-N 3.33Å; L251-L253 PolarHBondContact O-N 3.27Å; L253-S256 PolarHBondContact O-N 2.84Å; L253-R257 WeakPolarHBondContact O-CB 3.34Å; L253-R257 VanDerWaalsContact O-CG 3.3Å; L253-R257 WeakPolarHBondContact O-CG 3.41Å; L253-R257 PolarHBondContact O-N 3.41Å |
| 254 | V | 98.1 | Very high | 94.4 | Very high | 74 Ų | 74 | 104 Ų | 104 | 45% | 0.448 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.4 | -50.6 | 176.7 | 170.8 | 0 | 0 | 0 | 0 | 110.4 | I250 L251 S256 R257 L258 | I250-V254 HydrophobicContact CG2-CG2 4.38Å; I250-V254 WeakPolarHBondContact O-CG2 3.34Å; I250-V254 PolarHBondContact O-N 3.12Å; L251-V254 PolarHBondContact O-N 3.35Å; V254-S256 VanDerWaalsContact C-N 3.29Å; V254-S256 PolarHBondContact O-N 2.93Å; V254-R257 PolarHBondContact O-N 3.19Å; V254-L258 WeakPolarHBondContact O-CB 3.46Å; V254-L258 PolarHBondContact O-N 2.83Å |
| 255 | L | 97.8 | Very high | 95.1 | Very high | 97 Ų | 97 | 108.7 Ų | 108.7 | 51% | 0.508 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.5 | -38.7 | 177.2 | -71.2 | 169 | 0 | 0 | 0 | 112 | L251 L258 K259 | L251-L255 WeakPolarHBondContact O-CB 3.37Å; L251-L255 VanDerWaalsContact O-CG 3.25Å; L251-L255 WeakPolarHBondContact O-CG 3.48Å; L251-L255 PolarHBondContact O-N 3.26Å; L255-L258 PolarHBondContact O-N 3.49Å; L255-K259 WeakPolarHBondContact O-CB 3.45Å; L255-K259 VanDerWaalsContact O-CG 3.28Å; L255-K259 WeakPolarHBondContact O-CG 3.49Å; L255-K259 PolarHBondContact O-N 3.1Å |
| 256 | S | 96.4 | Very high | 95.9 | Very high | 75 Ų | 75 | 107.4 Ų | 107.4 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.4 | -42.2 | 175.8 | -61.8 | 0 | 0 | 0 | 0 | 112.3 | A252 L253 V254 K260 | A252-S256 VanDerWaalsContact O-CB 3.23Å; A252-S256 WeakPolarHBondContact O-CB 3.37Å; A252-S256 PolarHBondContact O-N 3.5Å; A252-S256 PolarHBondContact O-OG 2.82Å; L253-S256 PolarHBondContact O-N 2.84Å; V254-S256 VanDerWaalsContact C-N 3.29Å; V254-S256 PolarHBondContact O-N 2.93Å; S256-K260 WeakPolarHBondContact O-CB 3.43Å; S256-K260 PolarHBondContact O-N 2.99Å |
| 257 | R | 97.9 | Very high | 96.3 | Very high | 186 Ų | 186 | 103.3 Ų | 103.3 | 70% | 0.702 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.2 | -42 | 173.2 | -74.8 | 173.6 | 177.1 | -171 | -0.6 | 111.7 | L253 V254 K260 A261 | L253-R257 WeakPolarHBondContact O-CB 3.34Å; L253-R257 VanDerWaalsContact O-CG 3.3Å; L253-R257 WeakPolarHBondContact O-CG 3.41Å; L253-R257 PolarHBondContact O-N 3.41Å; V254-R257 PolarHBondContact O-N 3.19Å; R257-K260 PolarHBondContact O-N 3.23Å; R257-A261 WeakPolarHBondContact O-CB 3.32Å; R257-A261 PolarHBondContact O-N 2.96Å |
| 258 | L | 98.2 | Very high | 96.6 | Very high | 102 Ų | 102 | 105.9 Ų | 105.9 | 53% | 0.534 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.6 | -45.4 | -178.9 | -146.2 | 166.8 | 0 | 0 | 0 | 110.9 | V254 L255 K260 A261 Q262 | V254-L258 WeakPolarHBondContact O-CB 3.46Å; V254-L258 PolarHBondContact O-N 2.83Å; L255-L258 PolarHBondContact O-N 3.49Å; L258-K260 VanDerWaalsContact C-N 3.33Å; L258-K260 PolarHBondContact O-N 3.4Å; L258-A261 PolarHBondContact O-N 3.02Å; L258-Q262 WeakPolarHBondContact O-CB 3.47Å; L258-Q262 PolarHBondContact O-N 3.49Å |
| 259 | K | 97.8 | Very high | 96.9 | Very high | 138 Ų | 138 | 106.6 Ų | 106.6 | 60% | 0.6 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.8 | -38.8 | 171.4 | -73.8 | 174.9 | -179.5 | -179.5 | 0 | 112.4 | L255 K263 | L255-K259 WeakPolarHBondContact O-CB 3.45Å; L255-K259 VanDerWaalsContact O-CG 3.28Å; L255-K259 WeakPolarHBondContact O-CG 3.49Å; L255-K259 PolarHBondContact O-N 3.1Å; K259-K263 WeakPolarHBondContact O-CG 3.31Å; K259-K263 PolarHBondContact O-N 3.21Å; K259-K263 VanDerWaalsContact O-N 3.09Å |
| 260 | K | 97.7 | Very high | 97.1 | Very high | 151 Ų | 151 | 105.7 Ų | 105.7 | 66% | 0.657 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.5 | -43.9 | 173.8 | -172.5 | 176.7 | -179.3 | 179.7 | 0 | 111.6 | S256 R257 L258 K263 M264 | S256-K260 WeakPolarHBondContact O-CB 3.43Å; S256-K260 PolarHBondContact O-N 2.99Å; R257-K260 PolarHBondContact O-N 3.23Å; L258-K260 VanDerWaalsContact C-N 3.33Å; L258-K260 PolarHBondContact O-N 3.4Å; K260-K263 PolarHBondContact O-N 3.38Å; K260-M264 WeakPolarHBondContact O-CG 3.47Å; K260-M264 PolarHBondContact O-N 3.18Å |
| 261 | A | 96.3 | Very high | 97.2 | Very high | 41 Ų | 41 | 104.6 Ų | 104.6 | 34% | 0.339 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64 | -38.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R257 L258 M264 R265 | R257-A261 WeakPolarHBondContact O-CB 3.32Å; R257-A261 PolarHBondContact O-N 2.96Å; L258-A261 PolarHBondContact O-N 3.02Å; A261-M264 PolarHBondContact O-N 3.06Å; A261-R265 WeakPolarHBondContact O-CG 3.47Å; A261-R265 PolarHBondContact O-N 3.44Å; A261-R265 VanDerWaalsContact O-N 3.11Å |
| 262 | Q | 97.8 | Very high | 97.2 | Very high | 97 Ų | 97 | 103.1 Ų | 103.1 | 45% | 0.453 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.3 | -53.8 | 171.9 | 176.3 | 177.7 | -12.9 | 0 | 0 | 111 | L258 M264 R265 E266 | L258-Q262 WeakPolarHBondContact O-CB 3.47Å; L258-Q262 PolarHBondContact O-N 3.49Å; Q262-M264 VanDerWaalsContact C-N 3.25Å; Q262-M264 PolarHBondContact O-N 3.32Å; Q262-R265 WeakPolarHBondContact O-CA 3.34Å; Q262-R265 WeakPolarHBondContact O-CB 3.45Å; Q262-R265 PolarHBondContact O-N 3.41Å; Q262-E266 HydrophobicContact CG-CG 4.39Å; Q262-E266 WeakPolarHBondContact CG-OE1 3.39Å; Q262-E266 PolarHBondContact NE2-OE1 3.04Å; Q262-E266 WeakPolarHBondContact O-CG 3.33Å; Q262-E266 PolarHBondContact O-N 3.39Å |
| 263 | K | 97.9 | Very high | 97.3 | Very high | 138 Ų | 138 | 104.5 Ų | 104.5 | 60% | 0.6 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -57.2 | -36.2 | 177.4 | -74.1 | -174.6 | 174.1 | -168.2 | 0 | 113.3 | K259 K260 E266 L267 | K259-K263 WeakPolarHBondContact O-CG 3.31Å; K259-K263 PolarHBondContact O-N 3.21Å; K259-K263 VanDerWaalsContact O-N 3.09Å; K260-K263 PolarHBondContact O-N 3.38Å; K263-E266 PolarHBondContact O-N 2.87Å; K263-L267 WeakPolarHBondContact O-CB 3.46Å; K263-L267 VanDerWaalsContact O-CG 3.3Å; K263-L267 WeakPolarHBondContact O-CG 3.42Å; K263-L267 PolarHBondContact O-N 3.28Å |
| 264 | M | 96.1 | Very high | 97.3 | Very high | 95 Ų | 95 | 102.7 Ų | 102.7 | 47% | 0.468 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 174.2 | -71.3 | -56.7 | -55.4 | 0 | 0 | 112.6 | K260 A261 Q262 Q268 | K260-M264 WeakPolarHBondContact O-CG 3.47Å; K260-M264 PolarHBondContact O-N 3.18Å; A261-M264 PolarHBondContact O-N 3.06Å; Q262-M264 VanDerWaalsContact C-N 3.25Å; Q262-M264 PolarHBondContact O-N 3.32Å; M264-Q268 WeakPolarHBondContact O-CB 3.39Å; M264-Q268 VanDerWaalsContact O-CG 3.24Å; M264-Q268 WeakPolarHBondContact O-CG 3.4Å; M264-Q268 PolarHBondContact O-N 3.05Å |
| 265 | R | 96.9 | Very high | 97.2 | Very high | 158 Ų | 158 | 106.3 Ų | 106.3 | 60% | 0.596 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.2 | -41.6 | 173.9 | -66 | 175.2 | -166 | 162.6 | 2.6 | 111.8 | A261 Q262 Q268 Q269 | A261-R265 WeakPolarHBondContact O-CG 3.47Å; A261-R265 PolarHBondContact O-N 3.44Å; A261-R265 VanDerWaalsContact O-N 3.11Å; Q262-R265 WeakPolarHBondContact O-CA 3.34Å; Q262-R265 WeakPolarHBondContact O-CB 3.45Å; Q262-R265 PolarHBondContact O-N 3.41Å; R265-Q268 PolarHBondContact O-N 3.2Å; R265-Q269 WeakPolarHBondContact O-CB 3.27Å; R265-Q269 VanDerWaalsContact O-CG 3.31Å; R265-Q269 WeakPolarHBondContact O-CG 3.32Å; R265-Q269 PolarHBondContact O-N 3.07Å |
| 266 | E | 97.9 | Very high | 97.2 | Very high | 73 Ų | 73 | 105.2 Ų | 105.2 | 34% | 0.341 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 176.8 | -69.9 | 164.8 | 173.5 | 0 | 0 | 110.8 | Q262 K263 Q269 Q270 | Q262-E266 HydrophobicContact CG-CG 4.39Å; Q262-E266 WeakPolarHBondContact CG-OE1 3.39Å; Q262-E266 PolarHBondContact NE2-OE1 3.04Å; Q262-E266 WeakPolarHBondContact O-CG 3.33Å; Q262-E266 PolarHBondContact O-N 3.39Å; K263-E266 PolarHBondContact O-N 2.87Å; E266-Q269 PolarHBondContact O-N 3Å; E266-Q270 WeakPolarHBondContact O-CG 3.35Å; E266-Q270 PolarHBondContact O-N 2.93Å |
| 267 | L | 98 | Very high | 97.2 | Very high | 97 Ų | 97 | 107 Ų | 107 | 51% | 0.508 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.8 | -39.2 | 173.7 | -72.3 | 169.4 | 0 | 0 | 0 | 112.8 | K263 Q270 A271 | K263-L267 WeakPolarHBondContact O-CB 3.46Å; K263-L267 VanDerWaalsContact O-CG 3.3Å; K263-L267 WeakPolarHBondContact O-CG 3.42Å; K263-L267 PolarHBondContact O-N 3.28Å; L267-Q270 PolarHBondContact O-N 2.87Å; L267-A271 WeakPolarHBondContact O-CB 3.3Å; L267-A271 PolarHBondContact O-N 2.96Å |
| 268 | Q | 96.4 | Very high | 97.2 | Very high | 127 Ų | 127 | 102.7 Ų | 102.7 | 59% | 0.593 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.1 | -38.8 | 174.5 | -76.7 | 170.3 | -20.1 | 0 | 0 | 112.2 | M264 R265 A272 | M264-Q268 WeakPolarHBondContact O-CB 3.39Å; M264-Q268 VanDerWaalsContact O-CG 3.24Å; M264-Q268 WeakPolarHBondContact O-CG 3.4Å; M264-Q268 PolarHBondContact O-N 3.05Å; R265-Q268 PolarHBondContact O-N 3.2Å; Q268-A272 WeakPolarHBondContact O-CB 3.38Å; Q268-A272 PolarHBondContact O-N 2.89Å |
| 269 | Q | 97.3 | Very high | 97.2 | Very high | 129 Ų | 129 | 101.3 Ų | 101.3 | 60% | 0.603 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.1 | -44.5 | 175 | -72.9 | 171.1 | 0.1 | 0 | 0 | 111.4 | R265 E266 A271 A272 V273 | R265-Q269 WeakPolarHBondContact O-CB 3.27Å; R265-Q269 VanDerWaalsContact O-CG 3.31Å; R265-Q269 WeakPolarHBondContact O-CG 3.32Å; R265-Q269 PolarHBondContact O-N 3.07Å; E266-Q269 PolarHBondContact O-N 3Å; Q269-A271 PolarHBondContact O-N 3.38Å; Q269-A272 PolarHBondContact O-N 3.44Å; Q269-V273 WeakPolarHBondContact O-CG2 3.45Å; Q269-V273 PolarHBondContact O-N 3.48Å |
| 270 | Q | 97.4 | Very high | 97.2 | Very high | 128 Ų | 128 | 102.1 Ų | 102.1 | 60% | 0.598 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.2 | -44 | 174.3 | -73.9 | 175.1 | -5.6 | 0 | 0 | 111.8 | E266 L267 A272 V273 A274 | E266-Q270 WeakPolarHBondContact O-CG 3.35Å; E266-Q270 PolarHBondContact O-N 2.93Å; L267-Q270 PolarHBondContact O-N 2.87Å; Q270-A272 PolarHBondContact O-N 3.17Å; Q270-V273 PolarHBondContact O-N 2.91Å; Q270-A274 WeakPolarHBondContact O-CB 3.44Å; Q270-A274 PolarHBondContact O-N 2.85Å |
| 271 | A | 96.3 | Very high | 97.1 | Very high | 61 Ų | 61 | 97.7 Ų | 97.7 | 50% | 0.504 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L267 Q269 W275 | L267-A271 WeakPolarHBondContact O-CB 3.3Å; L267-A271 PolarHBondContact O-N 2.96Å; Q269-A271 PolarHBondContact O-N 3.38Å; A271-W275 VanDerWaalsContact O-CB 3.29Å; A271-W275 WeakPolarHBondContact O-CB 3.46Å; A271-W275 PolarHBondContact O-N 3.47Å |
| 272 | A | 95.6 | Very high | 97.2 | Very high | 57 Ų | 57 | 100.7 Ų | 100.7 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.3 | -41.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q268 Q269 Q270 W275 E276 | Q268-A272 WeakPolarHBondContact O-CB 3.38Å; Q268-A272 PolarHBondContact O-N 2.89Å; Q269-A272 PolarHBondContact O-N 3.44Å; Q270-A272 PolarHBondContact O-N 3.17Å; A272-W275 PolarHBondContact O-N 3.22Å; A272-E276 PolarHBondContact O-N 3.38Å; A272-E276 VanDerWaalsContact O-N 3.07Å |
| 273 | V | 97.7 | Very high | 97.1 | Very high | 80 Ų | 80 | 102.7 Ų | 102.7 | 49% | 0.485 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -49.6 | 175.2 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | Q269 Q270 W275 E276 E277 | Q269-V273 WeakPolarHBondContact O-CG2 3.45Å; Q269-V273 PolarHBondContact O-N 3.48Å; Q270-V273 PolarHBondContact O-N 2.91Å; V273-W275 VanDerWaalsContact C-N 3.27Å; V273-W275 PolarHBondContact O-N 3.45Å; V273-E276 PolarHBondContact O-N 2.84Å; V273-E276 VanDerWaalsContact O-N 3.14Å; V273-E277 HydrophobicContact CG1-CG 4.48Å; V273-E277 WeakPolarHBondContact O-CG 3.36Å; V273-E277 PolarHBondContact O-N 3.48Å |
| 274 | A | 97.4 | Very high | 97.1 | Very high | 52 Ų | 52 | 103.6 Ų | 103.6 | 43% | 0.43 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.5 | -34.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q270 E277 L278 | Q270-A274 WeakPolarHBondContact O-CB 3.44Å; Q270-A274 PolarHBondContact O-N 2.85Å; A274-E277 PolarHBondContact O-N 3.05Å; A274-L278 WeakPolarHBondContact O-CB 3.38Å; A274-L278 PolarHBondContact O-N 3.3Å |
| 275 | W | 95.6 | Very high | 97.2 | Very high | 150 Ų | 150 | 102.8 Ų | 102.8 | 57% | 0.568 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.8 | -40.4 | 174.9 | -172.6 | -127.5 | 0 | 0 | 0 | 112.5 | A271 A272 V273 L278 K279 | A271-W275 VanDerWaalsContact O-CB 3.29Å; A271-W275 WeakPolarHBondContact O-CB 3.46Å; A271-W275 PolarHBondContact O-N 3.47Å; A272-W275 PolarHBondContact O-N 3.22Å; V273-W275 VanDerWaalsContact C-N 3.27Å; V273-W275 PolarHBondContact O-N 3.45Å; W275-L278 HydrophobicContact CE3-CD2 3.94Å; W275-L278 HydrophobicContact CZ3-CD2 3.8Å; W275-L278 PolarHBondContact O-N 2.9Å; W275-K279 VanDerWaalsContact NE1-CE 3.26Å; W275-K279 WeakPolarHBondContact O-CG 3.41Å; W275-K279 PolarHBondContact O-N 3.12Å |
| 276 | E | 98.2 | Very high | 97.2 | Very high | 75 Ų | 75 | 100.8 Ų | 100.8 | 35% | 0.35 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -72.2 | -29.9 | 173.1 | -68.2 | -55.6 | 137.5 | 0 | 0 | 112.9 | A272 V273 K279 R280 | A272-E276 PolarHBondContact O-N 3.38Å; A272-E276 VanDerWaalsContact O-N 3.07Å; V273-E276 PolarHBondContact O-N 2.84Å; V273-E276 VanDerWaalsContact O-N 3.14Å; E276-K279 IonicContact OE1-NZ 2.8Å; E276-K279 PolarHBondContact OE1-NZ 3.4Å; E276-K279 IonicContact OE2-NZ 3.29Å; E276-R280 VanDerWaalsContact O-CG 3.25Å; E276-R280 WeakPolarHBondContact O-CG 3.49Å; E276-R280 PolarHBondContact O-N 2.87Å; E276-R280 VanDerWaalsContact O-N 3.09Å; E276-R280 PolarHBondContact O-NH1 2.92Å; E276-R280 VanDerWaalsContact O-NH1 3.15Å |
| 277 | E | 97.8 | Very high | 97.2 | Very high | 113 Ų | 113 | 102.1 Ų | 102.1 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 170.1 | -74 | 176.3 | -179.1 | 0 | 0 | 111.6 | V273 A274 K279 R280 S281 | V273-E277 HydrophobicContact CG1-CG 4.48Å; V273-E277 WeakPolarHBondContact O-CG 3.36Å; V273-E277 PolarHBondContact O-N 3.48Å; A274-E277 PolarHBondContact O-N 3.05Å; E277-K279 PolarHBondContact O-N 3.06Å; E277-R280 WeakPolarHBondContact O-CB 3.39Å; E277-R280 PolarHBondContact O-N 3.11Å; E277-S281 PolarHBondContact O-N 3.12Å; E277-S281 PolarHBondContact O-OG 3.39Å |
| 278 | L | 97.8 | Very high | 97.1 | Very high | 95 Ų | 95 | 100 Ų | 100 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 174.1 | -177.6 | 58.9 | 0 | 0 | 0 | 111.9 | A274 W275 R280 S281 D282 | A274-L278 WeakPolarHBondContact O-CB 3.38Å; A274-L278 PolarHBondContact O-N 3.3Å; W275-L278 HydrophobicContact CE3-CD2 3.94Å; W275-L278 HydrophobicContact CZ3-CD2 3.8Å; W275-L278 PolarHBondContact O-N 2.9Å; L278-R280 VanDerWaalsContact C-N 3.28Å; L278-R280 PolarHBondContact O-N 3.27Å; L278-S281 WeakPolarHBondContact CA-OG 3.47Å; L278-S281 PolarHBondContact O-N 2.92Å; L278-S281 PolarHBondContact O-OG 2.86Å; L278-D282 VanDerWaalsContact O-CB 3.22Å; L278-D282 WeakPolarHBondContact O-CB 3.35Å; L278-D282 PolarHBondContact O-N 3.15Å |
| 279 | K | 97.3 | Very high | 97.2 | Very high | 73 Ų | 73 | 98.7 Ų | 98.7 | 32% | 0.317 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.3 | -31.9 | 172.3 | -73 | 172.5 | -172.1 | 174 | 0 | 113.2 | W275 E276 E277 K283 | W275-K279 VanDerWaalsContact NE1-CE 3.26Å; W275-K279 WeakPolarHBondContact O-CG 3.41Å; W275-K279 PolarHBondContact O-N 3.12Å; E276-K279 IonicContact OE1-NZ 2.8Å; E276-K279 PolarHBondContact OE1-NZ 3.4Å; E276-K279 IonicContact OE2-NZ 3.29Å; E277-K279 PolarHBondContact O-N 3.06Å; K279-K283 WeakPolarHBondContact O-CB 3.34Å; K279-K283 WeakPolarHBondContact O-CD 3.23Å; K279-K283 WeakPolarHBondContact O-CG 3.5Å; K279-K283 PolarHBondContact O-N 3.44Å; K279-K283 VanDerWaalsContact O-N 3.14Å |
| 280 | R | 97.5 | Very high | 97.2 | Very high | 154 Ų | 154 | 94.5 Ų | 94.5 | 58% | 0.581 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -76 | -39 | 177.1 | -72.3 | 173.8 | -162 | 108.6 | -6.3 | 111.7 | E276 E277 L278 K284 | E276-R280 VanDerWaalsContact O-CG 3.25Å; E276-R280 WeakPolarHBondContact O-CG 3.49Å; E276-R280 PolarHBondContact O-N 2.87Å; E276-R280 VanDerWaalsContact O-N 3.09Å; E276-R280 PolarHBondContact O-NH1 2.92Å; E276-R280 VanDerWaalsContact O-NH1 3.15Å; E277-R280 WeakPolarHBondContact O-CB 3.39Å; E277-R280 PolarHBondContact O-N 3.11Å; L278-R280 VanDerWaalsContact C-N 3.28Å; L278-R280 PolarHBondContact O-N 3.27Å; R280-K284 WeakPolarHBondContact O-CB 3.38Å; R280-K284 PolarHBondContact O-N 3.26Å |
| 281 | S | 96.2 | Very high | 97.2 | Very high | 59 Ų | 59 | 95.9 Ų | 95.9 | 41% | 0.413 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -70 | -43.4 | 175.5 | 61.3 | 0 | 0 | 0 | 0 | 111.6 | E277 L278 K284 V285 | E277-S281 PolarHBondContact O-N 3.12Å; E277-S281 PolarHBondContact O-OG 3.39Å; L278-S281 WeakPolarHBondContact CA-OG 3.47Å; L278-S281 PolarHBondContact O-N 2.92Å; L278-S281 PolarHBondContact O-OG 2.86Å; S281-K284 WeakPolarHBondContact O-CA 3.36Å; S281-K284 WeakPolarHBondContact O-CB 3.19Å; S281-K284 PolarHBondContact O-N 3.48Å; S281-V285 WeakPolarHBondContact O-CG2 3.11Å; S281-V285 PolarHBondContact O-N 2.9Å |
| 282 | D | 97.5 | Very high | 97.3 | Very high | 104 Ų | 104 | 98 Ų | 98 | 56% | 0.556 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -56.4 | -51.1 | 173.2 | 177.1 | 65.9 | 0 | 0 | 0 | 111.9 | L278 K284 V285 H286 | L278-D282 VanDerWaalsContact O-CB 3.22Å; L278-D282 WeakPolarHBondContact O-CB 3.35Å; L278-D282 PolarHBondContact O-N 3.15Å; D282-K284 VanDerWaalsContact C-N 3.25Å; D282-K284 PolarHBondContact O-N 2.99Å; D282-V285 PolarHBondContact O-N 3.29Å; D282-V285 VanDerWaalsContact O-N 3.1Å; D282-H286 WeakPolarHBondContact O-CB 3.29Å; D282-H286 PolarHBondContact O-N 3.27Å |
| 283 | K | 96.9 | Very high | 97.4 | Very high | 139 Ų | 139 | 102.5 Ų | 102.5 | 60% | 0.604 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -56.7 | -37.3 | 172.9 | -76 | 172 | -177.1 | 179.6 | 0 | 112.9 | K279 M287 | K279-K283 WeakPolarHBondContact O-CB 3.34Å; K279-K283 WeakPolarHBondContact O-CD 3.23Å; K279-K283 WeakPolarHBondContact O-CG 3.5Å; K279-K283 PolarHBondContact O-N 3.44Å; K279-K283 VanDerWaalsContact O-N 3.14Å; K283-M287 WeakPolarHBondContact O-CB 3.3Å; K283-M287 VanDerWaalsContact O-CG 3.23Å; K283-M287 WeakPolarHBondContact O-CG 3.28Å; K283-M287 PolarHBondContact O-N 3.43Å |
| 284 | K | 97.9 | Very high | 97.3 | Very high | 157 Ų | 157 | 106.3 Ų | 106.3 | 68% | 0.683 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.8 | -43.6 | 176.4 | -173.5 | -177.8 | 177.1 | -174.9 | 0 | 111.4 | R280 S281 D282 M287 T288 | R280-K284 WeakPolarHBondContact O-CB 3.38Å; R280-K284 PolarHBondContact O-N 3.26Å; S281-K284 WeakPolarHBondContact O-CA 3.36Å; S281-K284 WeakPolarHBondContact O-CB 3.19Å; S281-K284 PolarHBondContact O-N 3.48Å; D282-K284 VanDerWaalsContact C-N 3.25Å; D282-K284 PolarHBondContact O-N 2.99Å; K284-M287 PolarHBondContact O-N 2.89Å; K284-T288 PolarHBondContact O-N 3.41Å; K284-T288 PolarHBondContact O-OG1 3.36Å |
| 285 | V | 97.9 | Very high | 97.4 | Very high | 77 Ų | 77 | 109.1 Ų | 109.1 | 47% | 0.467 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -44.4 | 176.5 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | S281 D282 M287 T288 L289 | S281-V285 WeakPolarHBondContact O-CG2 3.11Å; S281-V285 PolarHBondContact O-N 2.9Å; D282-V285 PolarHBondContact O-N 3.29Å; D282-V285 VanDerWaalsContact O-N 3.1Å; V285-M287 VanDerWaalsContact C-N 3.32Å; V285-M287 PolarHBondContact O-N 3.28Å; V285-T288 WeakPolarHBondContact CA-OG1 3.34Å; V285-T288 PolarHBondContact O-N 2.91Å; V285-T288 VanDerWaalsContact O-N 3.15Å; V285-T288 PolarHBondContact O-OG1 2.96Å; V285-L289 HydrophobicContact CG1-CD1 3.86Å; V285-L289 HydrophobicContact CG1-CG 4.3Å; V285-L289 WeakPolarHBondContact O-CB 3.32Å; V285-L289 WeakPolarHBondContact O-CG 3.34Å; V285-L289 PolarHBondContact O-N 3.15Å |
| 286 | H | 96.8 | Very high | 97.4 | Very high | 117 Ų | 117 | 107.3 Ų | 107.3 | 54% | 0.542 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.7 | -45.2 | 174.1 | -177.6 | 77.6 | 0 | 0 | 0 | 111.6 | D282 T288 L289 E290 | D282-H286 WeakPolarHBondContact O-CB 3.29Å; D282-H286 PolarHBondContact O-N 3.27Å; H286-T288 VanDerWaalsContact C-N 3.33Å; H286-T288 PolarHBondContact O-N 2.79Å; H286-L289 PolarHBondContact O-N 3.39Å; H286-E290 WeakPolarHBondContact O-CB 3.28Å; H286-E290 PolarHBondContact O-N 3.39Å |
| 287 | M | 97.1 | Very high | 97.4 | Very high | 100 Ų | 100 | 108.9 Ų | 108.9 | 49% | 0.493 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.5 | -23.2 | 177.2 | -70.1 | -60 | -60.3 | 0 | 0 | 114.1 | K283 K284 V285 R291 | K283-M287 WeakPolarHBondContact O-CB 3.3Å; K283-M287 VanDerWaalsContact O-CG 3.23Å; K283-M287 WeakPolarHBondContact O-CG 3.28Å; K283-M287 PolarHBondContact O-N 3.43Å; K284-M287 PolarHBondContact O-N 2.89Å; V285-M287 VanDerWaalsContact C-N 3.32Å; V285-M287 PolarHBondContact O-N 3.28Å; M287-R291 WeakPolarHBondContact O-CD 3.43Å; M287-R291 WeakPolarHBondContact O-CG 3.33Å; M287-R291 PolarHBondContact O-N 2.93Å |
| 288 | T | 96.8 | Very high | 97.3 | Very high | 53 Ų | 53 | 108.3 Ų | 108.3 | 33% | 0.325 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -79.9 | -43.9 | 170.1 | 48.5 | 0 | 0 | 0 | 0 | 111.7 | K284 V285 H286 E290 R291 E292 | K284-T288 PolarHBondContact O-N 3.41Å; K284-T288 PolarHBondContact O-OG1 3.36Å; V285-T288 WeakPolarHBondContact CA-OG1 3.34Å; V285-T288 PolarHBondContact O-N 2.91Å; V285-T288 VanDerWaalsContact O-N 3.15Å; V285-T288 PolarHBondContact O-OG1 2.96Å; H286-T288 VanDerWaalsContact C-N 3.33Å; H286-T288 PolarHBondContact O-N 2.79Å; T288-E290 PolarHBondContact O-N 2.87Å; T288-R291 WeakPolarHBondContact O-CB 3.42Å; T288-R291 PolarHBondContact O-N 2.88Å; T288-R291 VanDerWaalsContact O-N 3.08Å; T288-E292 WeakPolarHBondContact O-CG 3.41Å; T288-E292 PolarHBondContact O-N 3.44Å |
| 289 | L | 97.7 | Very high | 97.2 | Very high | 100 Ų | 100 | 108.6 Ų | 108.6 | 52% | 0.524 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 177.2 | -69.7 | 172 | 0 | 0 | 0 | 112.3 | V285 H286 R291 E292 R293 | V285-L289 HydrophobicContact CG1-CD1 3.86Å; V285-L289 HydrophobicContact CG1-CG 4.3Å; V285-L289 WeakPolarHBondContact O-CB 3.32Å; V285-L289 WeakPolarHBondContact O-CG 3.34Å; V285-L289 PolarHBondContact O-N 3.15Å; H286-L289 PolarHBondContact O-N 3.39Å; L289-R291 VanDerWaalsContact C-N 3.3Å; L289-R291 PolarHBondContact O-N 2.91Å; L289-E292 PolarHBondContact O-N 2.88Å; L289-R293 VanDerWaalsContact O-CB 3.26Å; L289-R293 WeakPolarHBondContact O-CB 3.47Å; L289-R293 PolarHBondContact O-N 3.41Å |
| 290 | E | 97.7 | Very high | 97.1 | Very high | 41 Ų | 41 | 107.4 Ų | 107.4 | 19% | 0.192 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -71 | -23.9 | 176 | 177 | 59.1 | -158.7 | 0 | 0 | 112.4 | H286 T288 R293 R294 | H286-E290 WeakPolarHBondContact O-CB 3.28Å; H286-E290 PolarHBondContact O-N 3.39Å; T288-E290 PolarHBondContact O-N 2.87Å; E290-R293 WeakPolarHBondContact OE2-CD 3.4Å; E290-R293 IonicContact OE2-CZ 2.85Å; E290-R293 IonicContact OE2-NE 2.67Å; E290-R293 IonicContact OE2-NH1 2.8Å; E290-R293 PolarHBondContact OE2-NH1 3.13Å; E290-R294 WeakPolarHBondContact O-CD 3.22Å; E290-R294 WeakPolarHBondContact O-CG 3.37Å; E290-R294 PolarHBondContact O-N 3.13Å; E290-R294 IonicContact OE1-CZ 3.89Å; E290-R294 VanDerWaalsContact OE1-CZ 3.29Å; E290-R294 IonicContact OE1-NE 3.95Å; E290-R294 PolarHBondContact OE1-NE 3.08Å; E290-R294 IonicContact OE1-NH2 2.77Å; E290-R294 PolarHBondContact OE1-NH2 3.33Å |
| 291 | R | 97.9 | Very high | 97 | Very high | 156 Ų | 156 | 105.9 Ų | 105.9 | 59% | 0.589 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -73.5 | -46.7 | 168.4 | -73.5 | 166.2 | -175.3 | -178.3 | -0.2 | 111.6 | M287 T288 L289 R293 R294 L295 | M287-R291 WeakPolarHBondContact O-CD 3.43Å; M287-R291 WeakPolarHBondContact O-CG 3.33Å; M287-R291 PolarHBondContact O-N 2.93Å; T288-R291 WeakPolarHBondContact O-CB 3.42Å; T288-R291 PolarHBondContact O-N 2.88Å; T288-R291 VanDerWaalsContact O-N 3.08Å; L289-R291 VanDerWaalsContact C-N 3.3Å; L289-R291 PolarHBondContact O-N 2.91Å; R291-R293 VanDerWaalsContact C-N 3.31Å; R291-R293 PolarHBondContact O-N 3.29Å; R291-R294 WeakPolarHBondContact O-CB 3.08Å; R291-R294 PolarHBondContact O-N 3.22Å; R291-R294 VanDerWaalsContact O-N 3.11Å; R291-L295 WeakPolarHBondContact O-CG 3.12Å; R291-L295 PolarHBondContact O-N 3.29Å |
| 292 | E | 97.4 | Very high | 96.9 | Very high | 107 Ų | 107 | 108 Ų | 108 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 176.5 | -72.4 | 167.6 | -171.6 | 0 | 0 | 111.1 | T288 L289 R294 L295 L296 | T288-E292 WeakPolarHBondContact O-CG 3.41Å; T288-E292 PolarHBondContact O-N 3.44Å; L289-E292 PolarHBondContact O-N 2.88Å; E292-R294 VanDerWaalsContact C-N 3.34Å; E292-R294 PolarHBondContact O-N 3.39Å; E292-L295 PolarHBondContact O-N 3.26Å; E292-L296 WeakPolarHBondContact O-CB 3.5Å; E292-L296 WeakPolarHBondContact O-CG 3.1Å; E292-L296 PolarHBondContact O-N 3.12Å |
| 293 | R | 97.8 | Very high | 96.7 | Very high | 150 Ų | 150 | 108.3 Ų | 108.3 | 57% | 0.566 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -56.7 | -43.3 | 171.8 | -172.9 | -165.3 | -175 | -169 | 2 | 112.5 | L289 E290 R291 L296 L297 | L289-R293 VanDerWaalsContact O-CB 3.26Å; L289-R293 WeakPolarHBondContact O-CB 3.47Å; L289-R293 PolarHBondContact O-N 3.41Å; E290-R293 WeakPolarHBondContact OE2-CD 3.4Å; E290-R293 IonicContact OE2-CZ 2.85Å; E290-R293 IonicContact OE2-NE 2.67Å; E290-R293 IonicContact OE2-NH1 2.8Å; E290-R293 PolarHBondContact OE2-NH1 3.13Å; R291-R293 VanDerWaalsContact C-N 3.31Å; R291-R293 PolarHBondContact O-N 3.29Å; R293-L296 PolarHBondContact O-N 2.63Å; R293-L297 HydrophobicContact CG-CD1 4.26Å; R293-L297 WeakPolarHBondContact O-CB 3.08Å; R293-L297 VanDerWaalsContact O-CG 3.27Å; R293-L297 WeakPolarHBondContact O-CG 3.41Å; R293-L297 PolarHBondContact O-N 2.74Å |
| 294 | R | 97.2 | Very high | 96.5 | Very high | 160 Ų | 160 | 110 Ų | 110 | 60% | 0.604 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.8 | -40.6 | 176.7 | -73.9 | 166.6 | -170.7 | -133.2 | -2.9 | 112.2 | E290 R291 E292 L297 Q298 | E290-R294 WeakPolarHBondContact O-CD 3.22Å; E290-R294 WeakPolarHBondContact O-CG 3.37Å; E290-R294 PolarHBondContact O-N 3.13Å; E290-R294 IonicContact OE1-CZ 3.89Å; E290-R294 VanDerWaalsContact OE1-CZ 3.29Å; E290-R294 IonicContact OE1-NE 3.95Å; E290-R294 PolarHBondContact OE1-NE 3.08Å; E290-R294 IonicContact OE1-NH2 2.77Å; E290-R294 PolarHBondContact OE1-NH2 3.33Å; R291-R294 WeakPolarHBondContact O-CB 3.08Å; R291-R294 PolarHBondContact O-N 3.22Å; R291-R294 VanDerWaalsContact O-N 3.11Å; E292-R294 VanDerWaalsContact C-N 3.34Å; E292-R294 PolarHBondContact O-N 3.39Å; R294-L297 PolarHBondContact O-N 3.21Å; R294-Q298 WeakPolarHBondContact O-CB 3.25Å; R294-Q298 PolarHBondContact O-N 3.46Å |
| 295 | L | 97.9 | Very high | 96.1 | Very high | 112 Ų | 112 | 107.4 Ų | 107.4 | 59% | 0.586 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.9 | -40.3 | 174.6 | -68.9 | 169.1 | 0 | 0 | 0 | 111.8 | R291 E292 Q298 Q299 | R291-L295 WeakPolarHBondContact O-CG 3.12Å; R291-L295 PolarHBondContact O-N 3.29Å; E292-L295 PolarHBondContact O-N 3.26Å; L295-Q298 PolarHBondContact O-N 3.44Å; L295-Q299 VanDerWaalsContact O-CB 3.32Å; L295-Q299 WeakPolarHBondContact O-CB 3.3Å; L295-Q299 PolarHBondContact O-N 3.45Å |
| 296 | L | 97.2 | Very high | 95.7 | Very high | 111 Ų | 111 | 105.2 Ų | 105.2 | 58% | 0.581 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.9 | -38.6 | 174.4 | -71.9 | 168.3 | 0 | 0 | 0 | 112.5 | E292 R293 S300 | E292-L296 WeakPolarHBondContact O-CB 3.5Å; E292-L296 WeakPolarHBondContact O-CG 3.1Å; E292-L296 PolarHBondContact O-N 3.12Å; R293-L296 PolarHBondContact O-N 2.63Å; L296-S300 VanDerWaalsContact O-CB 3.26Å; L296-S300 WeakPolarHBondContact O-CB 3.41Å; L296-S300 PolarHBondContact O-N 3.44Å |
| 297 | L | 97.1 | Very high | 95.3 | Very high | 109 Ų | 109 | 104.1 Ų | 104.1 | 57% | 0.571 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.2 | -42.7 | 173.6 | -74.9 | 167.4 | 0 | 0 | 0 | 111.6 | R293 R294 S300 Q301 | R293-L297 HydrophobicContact CG-CD1 4.26Å; R293-L297 WeakPolarHBondContact O-CB 3.08Å; R293-L297 VanDerWaalsContact O-CG 3.27Å; R293-L297 WeakPolarHBondContact O-CG 3.41Å; R293-L297 PolarHBondContact O-N 2.74Å; R294-L297 PolarHBondContact O-N 3.21Å; L297-S300 PolarHBondContact O-N 2.92Å; L297-Q301 WeakPolarHBondContact O-CB 3.45Å; L297-Q301 PolarHBondContact O-N 3.01Å |
| 298 | Q | 96.4 | Very high | 94.8 | Very high | 100 Ų | 100 | 106.3 Ų | 106.3 | 47% | 0.467 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -50 | 174.6 | 178.3 | 178.6 | -15.6 | 0 | 0 | 111.3 | R294 L295 S300 Q301 E302 | R294-Q298 WeakPolarHBondContact O-CB 3.25Å; R294-Q298 PolarHBondContact O-N 3.46Å; L295-Q298 PolarHBondContact O-N 3.44Å; Q298-S300 VanDerWaalsContact C-N 3.28Å; Q298-S300 PolarHBondContact O-N 2.84Å; Q298-Q301 CarbonylContact O-C 3.6Å; Q298-Q301 WeakPolarHBondContact O-CA 3.37Å; Q298-Q301 WeakPolarHBondContact O-CB 3.3Å; Q298-Q301 PolarHBondContact O-N 3.42Å; Q298-E302 HydrophobicContact CG-CG 4.44Å; Q298-E302 VanDerWaalsContact CG-OE1 3.28Å; Q298-E302 WeakPolarHBondContact CG-OE1 3.38Å; Q298-E302 PolarHBondContact NE2-OE1 3.46Å; Q298-E302 WeakPolarHBondContact O-CG 3.44Å; Q298-E302 PolarHBondContact O-N 3.24Å |
| 299 | Q | 96.2 | Very high | 94.4 | Very high | 102 Ų | 102 | 109 Ų | 109 | 48% | 0.477 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59 | -40 | 177.6 | -178.6 | -179.1 | 72.9 | 0 | 0 | 111.8 | L295 E302 Q303 | L295-Q299 VanDerWaalsContact O-CB 3.32Å; L295-Q299 WeakPolarHBondContact O-CB 3.3Å; L295-Q299 PolarHBondContact O-N 3.45Å; Q299-E302 PolarHBondContact O-N 2.93Å; Q299-Q303 VanDerWaalsContact O-CG 3.3Å; Q299-Q303 WeakPolarHBondContact O-CG 3.46Å; Q299-Q303 PolarHBondContact O-N 2.93Å |
| 300 | S | 95.3 | Very high | 93.4 | Very high | 48 Ų | 48 | 111.4 Ų | 111.4 | 34% | 0.336 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 172.8 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | L296 L297 Q298 E302 Q303 W304 | L296-S300 VanDerWaalsContact O-CB 3.26Å; L296-S300 WeakPolarHBondContact O-CB 3.41Å; L296-S300 PolarHBondContact O-N 3.44Å; L297-S300 PolarHBondContact O-N 2.92Å; Q298-S300 VanDerWaalsContact C-N 3.28Å; Q298-S300 PolarHBondContact O-N 2.84Å; S300-E302 VanDerWaalsContact C-N 3.34Å; S300-E302 PolarHBondContact O-N 3.44Å; S300-Q303 PolarHBondContact O-N 3.08Å; S300-W304 PolarHBondContact O-N 2.98Å |
| 301 | Q | 94.4 | Very high | 92.3 | Very high | 122 Ų | 122 | 115 Ų | 115 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.4 | -36.9 | 176.8 | -168.7 | -178.5 | 9.2 | 0 | 0 | 112.7 | L297 Q298 Q305 | L297-Q301 WeakPolarHBondContact O-CB 3.45Å; L297-Q301 PolarHBondContact O-N 3.01Å; Q298-Q301 CarbonylContact O-C 3.6Å; Q298-Q301 WeakPolarHBondContact O-CA 3.37Å; Q298-Q301 WeakPolarHBondContact O-CB 3.3Å; Q298-Q301 PolarHBondContact O-N 3.42Å; Q301-Q305 WeakPolarHBondContact O-CG 3.42Å; Q301-Q305 PolarHBondContact O-N 3.3Å; Q301-Q305 PolarHBondContact O-NE2 3.45Å |
| 302 | E | 95.1 | Very high | 91.3 | Very high | 103 Ų | 103 | 112.6 Ų | 112.6 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.8 | -43.1 | 174.5 | -72.1 | 167.7 | -176.2 | 0 | 0 | 111.4 | Q298 Q299 S300 W304 Q305 G306 | Q298-E302 HydrophobicContact CG-CG 4.44Å; Q298-E302 VanDerWaalsContact CG-OE1 3.28Å; Q298-E302 WeakPolarHBondContact CG-OE1 3.38Å; Q298-E302 PolarHBondContact NE2-OE1 3.46Å; Q298-E302 WeakPolarHBondContact O-CG 3.44Å; Q298-E302 PolarHBondContact O-N 3.24Å; Q299-E302 PolarHBondContact O-N 2.93Å; S300-E302 VanDerWaalsContact C-N 3.34Å; S300-E302 PolarHBondContact O-N 3.44Å; E302-W304 PolarHBondContact O-N 3.28Å; E302-Q305 PolarHBondContact O-N 3.44Å; E302-G306 PolarHBondContact O-N 2.88Å |
| 303 | Q | 92.9 | Very high | 89.9 | Confident | 110 Ų | 110 | 110.3 Ų | 110.3 | 51% | 0.514 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 173 | -73 | 174.5 | 19.7 | 0 | 0 | 112.1 | Q299 S300 Q305 G306 Q307 | Q299-Q303 VanDerWaalsContact O-CG 3.3Å; Q299-Q303 WeakPolarHBondContact O-CG 3.46Å; Q299-Q303 PolarHBondContact O-N 2.93Å; S300-Q303 PolarHBondContact O-N 3.08Å; Q303-Q305 VanDerWaalsContact C-N 3.33Å; Q303-Q305 PolarHBondContact O-N 2.91Å; Q303-G306 PolarHBondContact O-N 3.23Å; Q303-Q307 WeakPolarHBondContact O-CG 3.17Å; Q303-Q307 PolarHBondContact O-N 3.07Å |
| 304 | W | 91.7 | Very high | 88.7 | Confident | 175 Ų | 175 | 110.5 Ų | 110.5 | 66% | 0.663 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.9 | -36.6 | 174.8 | -85.8 | 110.4 | 0 | 0 | 0 | 112.8 | S300 E302 K308 | S300-W304 PolarHBondContact O-N 2.98Å; E302-W304 PolarHBondContact O-N 3.28Å; W304-K308 VanDerWaalsContact O-CB 3.24Å; W304-K308 WeakPolarHBondContact O-CB 3.14Å; W304-K308 PolarHBondContact O-N 3.49Å |
| 305 | Q | 90.2 | Very high | 87.2 | Confident | 103 Ų | 103 | 111.1 Ų | 111.1 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.8 | -47.3 | 173.4 | -76.4 | 177.3 | 83.8 | 0 | 0 | 111.6 | Q301 E302 Q303 Q307 K308 E309 | Q301-Q305 WeakPolarHBondContact O-CG 3.42Å; Q301-Q305 PolarHBondContact O-N 3.3Å; Q301-Q305 PolarHBondContact O-NE2 3.45Å; E302-Q305 PolarHBondContact O-N 3.44Å; Q303-Q305 VanDerWaalsContact C-N 3.33Å; Q303-Q305 PolarHBondContact O-N 2.91Å; Q305-Q307 PolarHBondContact O-N 3.4Å; Q305-K308 CarbonylContact O-C 3.47Å; Q305-K308 WeakPolarHBondContact O-CB 3.32Å; Q305-K308 PolarHBondContact O-N 2.95Å; Q305-K308 VanDerWaalsContact O-N 3.09Å; Q305-E309 WeakPolarHBondContact O-CG 3.45Å; Q305-E309 PolarHBondContact O-N 3.1Å |
| 306 | G | 89.8 | Confident | 85.7 | Confident | 31 Ų | 31 | 110.2 Ų | 110.2 | 32% | 0.32 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.9 | -42.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E302 Q303 E309 Q310 | E302-G306 PolarHBondContact O-N 2.88Å; Q303-G306 PolarHBondContact O-N 3.23Å; G306-E309 PolarHBondContact O-N 3.33Å; G306-Q310 WeakPolarHBondContact O-CG 3.4Å; G306-Q310 PolarHBondContact O-N 3.3Å |
| 307 | Q | 87.5 | Confident | 84 | Confident | 94 Ų | 94 | 111 Ų | 111 | 44% | 0.439 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 172.6 | -72.5 | -175.5 | 16.7 | 0 | 0 | 111.9 | Q303 Q305 E309 Q310 H311 | Q303-Q307 WeakPolarHBondContact O-CG 3.17Å; Q303-Q307 PolarHBondContact O-N 3.07Å; Q305-Q307 PolarHBondContact O-N 3.4Å; Q307-E309 PolarHBondContact O-N 2.88Å; Q307-Q310 PolarHBondContact O-N 3.35Å; Q307-H311 WeakPolarHBondContact O-CB 3.47Å; Q307-H311 PolarHBondContact O-CD2 3.45Å; Q307-H311 PolarHBondContact O-N 3.31Å |
| 308 | K | 87.3 | Confident | 82.5 | Confident | 145 Ų | 145 | 109.3 Ų | 109.3 | 63% | 0.63 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.3 | -32.2 | 176.8 | -173.5 | 176.5 | -177.9 | 179.3 | 0 | 112 | W304 Q305 K312 | W304-K308 VanDerWaalsContact O-CB 3.24Å; W304-K308 WeakPolarHBondContact O-CB 3.14Å; W304-K308 PolarHBondContact O-N 3.49Å; Q305-K308 CarbonylContact O-C 3.47Å; Q305-K308 WeakPolarHBondContact O-CB 3.32Å; Q305-K308 PolarHBondContact O-N 2.95Å; Q305-K308 VanDerWaalsContact O-N 3.09Å; K308-K312 WeakPolarHBondContact O-CG 3.42Å; K308-K312 PolarHBondContact O-N 2.9Å |
| 309 | E | 87.2 | Confident | 81 | Confident | 111 Ų | 111 | 110.3 Ų | 110.3 | 52% | 0.519 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -79.6 | -39.6 | 176.6 | -70.2 | -176.8 | 162.7 | 0 | 0 | 113.3 | Q305 G306 Q307 H311 K312 S313 | Q305-E309 WeakPolarHBondContact O-CG 3.45Å; Q305-E309 PolarHBondContact O-N 3.1Å; G306-E309 PolarHBondContact O-N 3.33Å; Q307-E309 PolarHBondContact O-N 2.88Å; E309-H311 PolarHBondContact O-N 2.93Å; E309-K312 HydrophobicContact CG-CD 4.49Å; E309-K312 WeakPolarHBondContact O-CB 3.5Å; E309-K312 PolarHBondContact O-N 2.96Å; E309-S313 PolarHBondContact O-N 2.98Å |
| 310 | Q | 77.5 | Confident | 79.5 | Confident | 149 Ų | 149 | 110.8 Ų | 110.8 | 70% | 0.696 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.3 | -38.4 | 168 | -71.5 | -175.8 | 7 | 0 | 0 | 111.6 | G306 Q307 K312 R314 | G306-Q310 WeakPolarHBondContact O-CG 3.4Å; G306-Q310 PolarHBondContact O-N 3.3Å; Q307-Q310 PolarHBondContact O-N 3.35Å; Q310-K312 VanDerWaalsContact C-N 3.34Å; Q310-K312 PolarHBondContact O-N 3.34Å; Q310-R314 WeakPolarHBondContact O-CB 3.45Å; Q310-R314 PolarHBondContact O-N 3.38Å |
| 311 | H | 74.4 | Confident | 77.7 | Confident | 117 Ų | 117 | 116 Ų | 116 | 54% | 0.542 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70 | -22.9 | 174.2 | -73.8 | -55 | 0 | 0 | 0 | 114.4 | Q307 E309 R315 | Q307-H311 WeakPolarHBondContact O-CB 3.47Å; Q307-H311 PolarHBondContact O-CD2 3.45Å; Q307-H311 PolarHBondContact O-N 3.31Å; E309-H311 PolarHBondContact O-N 2.93Å; H311-R315 VanDerWaalsContact O-CG 3.3Å; H311-R315 WeakPolarHBondContact O-CG 3.35Å; H311-R315 PolarHBondContact O-N 3.29Å |
| 312 | K | 77.1 | Confident | 76 | Confident | 106 Ų | 106 | 115.2 Ų | 115.2 | 46% | 0.461 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -73.3 | -59.2 | 167.4 | -68.5 | 169.9 | -171.8 | 170 | 0 | 110 | K308 E309 Q310 R314 R315 D316 | K308-K312 WeakPolarHBondContact O-CG 3.42Å; K308-K312 PolarHBondContact O-N 2.9Å; E309-K312 HydrophobicContact CG-CD 4.49Å; E309-K312 WeakPolarHBondContact O-CB 3.5Å; E309-K312 PolarHBondContact O-N 2.96Å; Q310-K312 VanDerWaalsContact C-N 3.34Å; Q310-K312 PolarHBondContact O-N 3.34Å; K312-R314 CarbonylContact O-C 3.57Å; K312-R314 PolarHBondContact O-N 2.62Å; K312-R314 VanDerWaalsContact O-N 3.1Å; K312-R315 CarbonylContact O-C 3.59Å; K312-R315 WeakPolarHBondContact O-CA 3.33Å; K312-R315 WeakPolarHBondContact O-CB 3.3Å; K312-R315 PolarHBondContact O-N 3.09Å; K312-D316 VanDerWaalsContact C-OD2 3.29Å; K312-D316 VanDerWaalsContact O-CG 3.23Å; K312-D316 PolarHBondContact O-N 3.48Å; K312-D316 VanDerWaalsContact O-OD2 3.1Å |
| 313 | S | 68.6 | Low | 74.3 | Confident | 59 Ų | 59 | 112.8 Ų | 112.8 | 41% | 0.413 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -52.5 | -39.2 | -179.1 | 166.6 | 0 | 0 | 0 | 0 | 112.4 | E309 D316 H317 | E309-S313 PolarHBondContact O-N 2.98Å; S313-D316 PolarHBondContact O-N 3.39Å; S313-H317 PolarHBondContact O-CD2 3.13Å; S313-H317 PolarHBondContact O-N 2.9Å |
| 314 | R | 71.3 | Confident | 72.6 | Confident | 153 Ų | 153 | 115.3 Ų | 115.3 | 58% | 0.577 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.8 | -52.1 | 171.2 | -179.3 | 176.6 | 168 | 157 | 6 | 112 | Q310 K312 D316 H317 E318 | Q310-R314 WeakPolarHBondContact O-CB 3.45Å; Q310-R314 PolarHBondContact O-N 3.38Å; K312-R314 CarbonylContact O-C 3.57Å; K312-R314 PolarHBondContact O-N 2.62Å; K312-R314 VanDerWaalsContact O-N 3.1Å; R314-D316 PolarHBondContact O-N 3.27Å; R314-H317 PolarHBondContact O-N 2.97Å; R314-E318 IonicContact CZ-OE1 2.7Å; R314-E318 IonicContact CZ-OE2 2.59Å; R314-E318 IonicContact NE-OE1 2.76Å; R314-E318 PolarHBondContact NE-OE1 3.35Å; R314-E318 IonicContact NE-OE2 2.65Å; R314-E318 PolarHBondContact NE-OE2 3.29Å; R314-E318 IonicContact NH2-OE1 3.98Å; R314-E318 PolarHBondContact NH2-OE1 2.97Å; R314-E318 IonicContact NH2-OE2 2.63Å; R314-E318 WeakPolarHBondContact O-CB 3.34Å; R314-E318 PolarHBondContact O-N 3.31Å |
| 315 | R | 66.2 | Low | 70.9 | Confident | 174 Ų | 174 | 111.5 Ų | 111.5 | 66% | 0.657 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.6 | -32.9 | 177.7 | -72.3 | 174.1 | -174.4 | -152.3 | 1.3 | 112.6 | H311 K312 E318 Q319 | H311-R315 VanDerWaalsContact O-CG 3.3Å; H311-R315 WeakPolarHBondContact O-CG 3.35Å; H311-R315 PolarHBondContact O-N 3.29Å; K312-R315 CarbonylContact O-C 3.59Å; K312-R315 WeakPolarHBondContact O-CA 3.33Å; K312-R315 WeakPolarHBondContact O-CB 3.3Å; K312-R315 PolarHBondContact O-N 3.09Å; R315-E318 PolarHBondContact O-N 3.13Å; R315-Q319 WeakPolarHBondContact O-CB 3.37Å; R315-Q319 VanDerWaalsContact O-CG 3.3Å; R315-Q319 WeakPolarHBondContact O-CG 3.41Å; R315-Q319 PolarHBondContact O-N 3.47Å; R315-Q319 PolarHBondContact O-NE2 3.05Å |
| 316 | D | 67.4 | Low | 69.3 | Low | 93 Ų | 93 | 113.1 Ų | 113.1 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.3 | -42.8 | 178.8 | -54.6 | -34.8 | 0 | 0 | 0 | 110.2 | K312 S313 R314 L320 | K312-D316 VanDerWaalsContact C-OD2 3.29Å; K312-D316 VanDerWaalsContact O-CG 3.23Å; K312-D316 PolarHBondContact O-N 3.48Å; K312-D316 VanDerWaalsContact O-OD2 3.1Å; S313-D316 PolarHBondContact O-N 3.39Å; R314-D316 PolarHBondContact O-N 3.27Å; D316-L320 WeakPolarHBondContact O-CB 3.28Å; D316-L320 PolarHBondContact O-N 3.29Å |
| 317 | H | 60.9 | Low | 67.5 | Low | 127 Ų | 127 | 119 Ų | 119 | 59% | 0.588 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.5 | -34.9 | 170.3 | -73.4 | -55.1 | 0 | 0 | 0 | 113.8 | S313 R314 L320 R321 | S313-H317 PolarHBondContact O-CD2 3.13Å; S313-H317 PolarHBondContact O-N 2.9Å; R314-H317 PolarHBondContact O-N 2.97Å; H317-L320 PolarHBondContact O-N 3.34Å; H317-R321 WeakPolarHBondContact O-CB 3.48Å; H317-R321 PolarHBondContact O-N 3.01Å |
| 318 | E | 65.6 | Low | 65.9 | Low | 74 Ų | 74 | 116.2 Ų | 116.2 | 35% | 0.346 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -72.5 | -38.1 | 179.9 | -137.7 | 143.7 | -146.5 | 0 | 0 | 110.6 | R314 R315 R321 Q322 | R314-E318 IonicContact CZ-OE1 2.7Å; R314-E318 IonicContact CZ-OE2 2.59Å; R314-E318 IonicContact NE-OE1 2.76Å; R314-E318 PolarHBondContact NE-OE1 3.35Å; R314-E318 IonicContact NE-OE2 2.65Å; R314-E318 PolarHBondContact NE-OE2 3.29Å; R314-E318 IonicContact NH2-OE1 3.98Å; R314-E318 PolarHBondContact NH2-OE1 2.97Å; R314-E318 IonicContact NH2-OE2 2.63Å; R314-E318 WeakPolarHBondContact O-CB 3.34Å; R314-E318 PolarHBondContact O-N 3.31Å; R315-E318 PolarHBondContact O-N 3.13Å; E318-R321 PolarHBondContact O-N 3Å; E318-Q322 VanDerWaalsContact O-CG 3.3Å; E318-Q322 WeakPolarHBondContact O-CG 3.42Å; E318-Q322 PolarHBondContact O-N 3.04Å |
| 319 | Q | 63.6 | Low | 64.4 | Low | 120 Ų | 120 | 115.7 Ų | 115.7 | 56% | 0.561 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.2 | -45 | 168.5 | -78.6 | 169.8 | 87.7 | 0 | 0 | 112.2 | R315 R321 Q322 G323 | R315-Q319 WeakPolarHBondContact O-CB 3.37Å; R315-Q319 VanDerWaalsContact O-CG 3.3Å; R315-Q319 WeakPolarHBondContact O-CG 3.41Å; R315-Q319 PolarHBondContact O-N 3.47Å; R315-Q319 PolarHBondContact O-NE2 3.05Å; Q319-R321 VanDerWaalsContact C-N 3.28Å; Q319-R321 PolarHBondContact O-N 3.31Å; Q319-Q322 PolarHBondContact O-N 3.5Å; Q319-G323 PolarHBondContact O-N 3.29Å; Q319-G323 VanDerWaalsContact O-N 3.14Å |
| 320 | L | 64.7 | Low | 62.7 | Low | 112 Ų | 112 | 121 Ų | 121 | 59% | 0.586 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -59.4 | -42.2 | 177.7 | -148 | 82.2 | 0 | 0 | 0 | 111 | D316 H317 G323 Y324 | D316-L320 WeakPolarHBondContact O-CB 3.28Å; D316-L320 PolarHBondContact O-N 3.29Å; H317-L320 PolarHBondContact O-N 3.34Å; L320-G323 PolarHBondContact O-N 2.93Å; L320-Y324 HydrophobicContact CG-CE2 4.28Å; L320-Y324 WeakPolarHBondContact O-CD2 3.39Å; L320-Y324 WeakPolarHBondContact O-CE2 3.35Å |
| 321 | R | 58.1 | Low | 61.5 | Low | 159 Ų | 159 | 123.4 Ų | 123.4 | 60% | 0.6 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.6 | -46.4 | 176.7 | -179.1 | -178.5 | -70.7 | -98 | 0.7 | 112.5 | H317 E318 Q319 G323 Y324 E325 | H317-R321 WeakPolarHBondContact O-CB 3.48Å; H317-R321 PolarHBondContact O-N 3.01Å; E318-R321 PolarHBondContact O-N 3Å; Q319-R321 VanDerWaalsContact C-N 3.28Å; Q319-R321 PolarHBondContact O-N 3.31Å; R321-G323 PolarHBondContact O-N 3.48Å; R321-Y324 PolarHBondContact O-N 3.31Å; R321-E325 WeakPolarHBondContact CD-OE1 3.33Å; R321-E325 HydrophobicContact CG-CG 4.39Å; R321-E325 VanDerWaalsContact CG-OE1 3.22Å; R321-E325 WeakPolarHBondContact CG-OE1 3.36Å; R321-E325 IonicContact NH1-OE1 3.18Å; R321-E325 PolarHBondContact O-N 2.86Å |
| 322 | Q | 58.9 | Low | 60.4 | Low | 105 Ų | 105 | 121.4 Ų | 121.4 | 49% | 0.491 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59.8 | -30.9 | 177.4 | -74.5 | 171.6 | 17.3 | 0 | 0 | 112.8 | E318 Q319 Y324 E325 Q326 | E318-Q322 VanDerWaalsContact O-CG 3.3Å; E318-Q322 WeakPolarHBondContact O-CG 3.42Å; E318-Q322 PolarHBondContact O-N 3.04Å; Q319-Q322 PolarHBondContact O-N 3.5Å; Q322-Y324 VanDerWaalsContact C-N 3.31Å; Q322-Y324 PolarHBondContact O-N 3.41Å; Q322-E325 PolarHBondContact O-N 3.31Å; Q322-Q326 PolarHBondContact O-N 2.92Å; Q322-Q326 VanDerWaalsContact O-N 3.11Å |
| 323 | G | 59.9 | Low | 59.2 | Low | 51 Ų | 51 | 126.4 Ų | 126.4 | 53% | 0.526 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62 | -34.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114 | Q319 L320 R321 | Q319-G323 PolarHBondContact O-N 3.29Å; Q319-G323 VanDerWaalsContact O-N 3.14Å; L320-G323 PolarHBondContact O-N 2.93Å; R321-G323 PolarHBondContact O-N 3.48Å |
| 324 | Y | 56.4 | Low | 58.3 | Low | 163 Ų | 163 | 130.9 Ų | 130.9 | 64% | 0.639 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -82.6 | -38.5 | 174.9 | -61.4 | -71.4 | 0 | 0 | 0 | 112.2 | L320 R321 Q322 Q327 G328 | L320-Y324 HydrophobicContact CG-CE2 4.28Å; L320-Y324 WeakPolarHBondContact O-CD2 3.39Å; L320-Y324 WeakPolarHBondContact O-CE2 3.35Å; R321-Y324 PolarHBondContact O-N 3.31Å; Q322-Y324 VanDerWaalsContact C-N 3.31Å; Q322-Y324 PolarHBondContact O-N 3.41Å; Y324-Q327 PolarHBondContact O-N 3.21Å; Y324-G328 PolarHBondContact O-N 2.63Å |
| 325 | E | 57 | Low | 57.3 | Low | 96 Ų | 96 | 130.1 Ų | 130.1 | 45% | 0.449 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.8 | -40 | -177.4 | -73.7 | 167 | 175.9 | 0 | 0 | 112.2 | R321 Q322 Q327 G328 E329 | R321-E325 WeakPolarHBondContact CD-OE1 3.33Å; R321-E325 HydrophobicContact CG-CG 4.39Å; R321-E325 VanDerWaalsContact CG-OE1 3.22Å; R321-E325 WeakPolarHBondContact CG-OE1 3.36Å; R321-E325 IonicContact NH1-OE1 3.18Å; R321-E325 PolarHBondContact O-N 2.86Å; Q322-E325 PolarHBondContact O-N 3.31Å; E325-Q327 PolarHBondContact O-N 2.91Å; E325-G328 PolarHBondContact O-N 3.25Å; E325-E329 PolarHBondContact O-N 3.18Å |
| 326 | Q | 55.3 | Low | 56.6 | Low | 137 Ų | 137 | 127.5 Ų | 127.5 | 64% | 0.64 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.7 | -25.8 | 174.1 | -75.9 | -169.3 | 46.6 | 0 | 0 | 114 | Q322 | Q322-Q326 PolarHBondContact O-N 2.92Å; Q322-Q326 VanDerWaalsContact O-N 3.11Å |
| 327 | Q | 52.8 | Low | 55.8 | Low | 153 Ų | 153 | 126.7 Ų | 126.7 | 72% | 0.715 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -78 | -27.1 | 176.6 | -158.7 | 175.3 | 32.3 | 0 | 0 | 112 | Y324 E325 | Y324-Q327 PolarHBondContact O-N 3.21Å; E325-Q327 PolarHBondContact O-N 2.91Å |
| 328 | G | 53.9 | Low | 55.3 | Low | 36 Ų | 36 | 125.4 Ų | 125.4 | 37% | 0.371 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -77.2 | -50 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y324 E325 R330 R331 D332 | Y324-G328 PolarHBondContact O-N 2.63Å; E325-G328 PolarHBondContact O-N 3.25Å; G328-R330 PolarHBondContact O-N 2.94Å; G328-R330 VanDerWaalsContact O-N 3.09Å; G328-R331 PolarHBondContact O-N 2.73Å; G328-D332 PolarHBondContact O-N 3.4Å |
| 329 | E | 55 | Low | 54.8 | Low | 135 Ų | 135 | 127.4 Ų | 127.4 | 63% | 0.631 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -58.1 | -29.4 | -176 | -71.8 | -163.7 | 130 | 0 | 0 | 113.6 | E325 R331 D332 R333 | E325-E329 PolarHBondContact O-N 3.18Å; E329-R331 PolarHBondContact O-N 3.5Å; E329-D332 PolarHBondContact O-N 2.86Å; E329-R333 WeakPolarHBondContact O-CB 3.42Å; E329-R333 PolarHBondContact O-N 3.2Å |
| 330 | R | 52.9 | Low | 54.1 | Low | 221 Ų | 221 | 127.3 Ų | 127.3 | 83% | 0.834 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.8 | -19.7 | 174.3 | -89.3 | -167.2 | 173.8 | -146.8 | 1.1 | 114.5 | G328 | G328-R330 PolarHBondContact O-N 2.94Å; G328-R330 VanDerWaalsContact O-N 3.09Å |
| 331 | R | 52.1 | Low | 53.5 | Low | 200 Ų | 200 | 125.7 Ų | 125.7 | 76% | 0.755 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -88.7 | -54.1 | 170.6 | -69.9 | -173.5 | 175.3 | -132.9 | -0.4 | 111 | G328 E329 R333 Q334 | G328-R331 PolarHBondContact O-N 2.73Å; E329-R331 PolarHBondContact O-N 3.5Å; R331-R333 PolarHBondContact O-N 2.89Å; R331-R333 VanDerWaalsContact O-N 3.09Å; R331-Q334 WeakPolarHBondContact O-CB 2.81Å; R331-Q334 PolarHBondContact O-N 3.41Å |
| 332 | D | 50.3 | Low | 52.9 | Low | 75 Ų | 75 | 125.9 Ų | 125.9 | 40% | 0.401 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -51.1 | -36.9 | -179.4 | -90.9 | 50.9 | 0 | 0 | 0 | 114 | G328 E329 Q334 E335 K336 | G328-D332 PolarHBondContact O-N 3.4Å; E329-D332 PolarHBondContact O-N 2.86Å; D332-Q334 PolarHBondContact O-N 3.18Å; D332-E335 PolarHBondContact O-N 3.04Å; D332-K336 HydrophobicContact CB-CD 4.47Å; D332-K336 WeakPolarHBondContact O-CG 3.4Å; D332-K336 PolarHBondContact O-N 2.95Å; D332-K336 VanDerWaalsContact O-N 3.12Å; D332-K336 VanDerWaalsContact OD2-CE 3.3Å; D332-K336 WeakPolarHBondContact OD2-CE 3.48Å; D332-K336 IonicContact OD2-NZ 2.63Å; D332-K336 PolarHBondContact OD2-NZ 3.37Å |
| 333 | R | 51.6 | Low | 52.5 | Low | 212 Ų | 212 | 124.1 Ų | 124.1 | 80% | 0.8 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.3 | -17.7 | -178 | -152.9 | 175.1 | -164.9 | -177.6 | 5.5 | 113.6 | E329 R331 | E329-R333 WeakPolarHBondContact O-CB 3.42Å; E329-R333 PolarHBondContact O-N 3.2Å; R331-R333 PolarHBondContact O-N 2.89Å; R331-R333 VanDerWaalsContact O-N 3.09Å |
| 334 | Q | 50.2 | Low | 52 | Low | 152 Ų | 152 | 128.7 Ų | 128.7 | 71% | 0.71 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -86.1 | -27.2 | 175.9 | -170.6 | 169.4 | -5.2 | 0 | 0 | 112.5 | R331 D332 S337 | R331-Q334 WeakPolarHBondContact O-CB 2.81Å; R331-Q334 PolarHBondContact O-N 3.41Å; D332-Q334 PolarHBondContact O-N 3.18Å; Q334-S337 PolarHBondContact O-OG 3.26Å; Q334-S337 VanDerWaalsContact O-OG 3.08Å |
| 335 | E | 51.3 | Low | 51.6 | Low | 138 Ų | 138 | 126 Ų | 126 | 65% | 0.645 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -83.1 | -40.9 | 176.9 | -65.8 | -177.7 | 168.4 | 0 | 0 | 111.4 | D332 S337 T338 | D332-E335 PolarHBondContact O-N 3.04Å; E335-S337 VanDerWaalsContact C-N 3.32Å; E335-S337 PolarHBondContact O-N 2.93Å; E335-T338 PolarHBondContact O-N 3.09Å; E335-T338 PolarHBondContact O-OG1 3.39Å |
| 336 | K | 51.5 | Low | 50.9 | Low | 118 Ų | 118 | 130 Ų | 130 | 51% | 0.513 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -66.3 | -27.4 | -176.1 | -70.3 | 168.9 | -169.7 | 170.3 | 0 | 114.1 | D332 T338 I339 Q340 | D332-K336 HydrophobicContact CB-CD 4.47Å; D332-K336 WeakPolarHBondContact O-CG 3.4Å; D332-K336 PolarHBondContact O-N 2.95Å; D332-K336 VanDerWaalsContact O-N 3.12Å; D332-K336 VanDerWaalsContact OD2-CE 3.3Å; D332-K336 WeakPolarHBondContact OD2-CE 3.48Å; D332-K336 IonicContact OD2-NZ 2.63Å; D332-K336 PolarHBondContact OD2-NZ 3.37Å; K336-T338 VanDerWaalsContact C-N 3.28Å; K336-T338 PolarHBondContact O-N 3.05Å; K336-I339 PolarHBondContact O-N 3.2Å; K336-Q340 PolarHBondContact O-N 3.11Å; K336-Q340 VanDerWaalsContact O-N 3.13Å |
| 337 | S | 50 | Low | 50.1 | Low | 76 Ų | 76 | 129 Ų | 129 | 53% | 0.531 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -62.8 | -33.2 | 175.2 | 54.1 | 0 | 0 | 0 | 0 | 113 | Q334 E335 | Q334-S337 PolarHBondContact O-OG 3.26Å; Q334-S337 VanDerWaalsContact O-OG 3.08Å; E335-S337 VanDerWaalsContact C-N 3.32Å; E335-S337 PolarHBondContact O-N 2.93Å |
| 338 | T | 50.9 | Low | 49.5 | Very low | 101 Ų | 101 | 131.7 Ų | 131.7 | 62% | 0.62 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -69.7 | -33.1 | 177.3 | -16.4 | 0 | 0 | 0 | 0 | 112.9 | E335 K336 | E335-T338 PolarHBondContact O-N 3.09Å; E335-T338 PolarHBondContact O-OG1 3.39Å; K336-T338 VanDerWaalsContact C-N 3.28Å; K336-T338 PolarHBondContact O-N 3.05Å |
| 339 | I | 54.9 | Low | 48.5 | Very low | 116 Ų | 116 | 140 Ų | 140 | 60% | 0.595 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -85 | -39.9 | -173.5 | -59.4 | 172.7 | 0 | 0 | 0 | 110.7 | K336 A341 Q342 | K336-I339 PolarHBondContact O-N 3.2Å; I339-A341 VanDerWaalsContact C-N 3.27Å; I339-A341 PolarHBondContact O-N 3.18Å; I339-Q342 PolarHBondContact O-N 3.43Å; I339-Q342 VanDerWaalsContact O-N 3.11Å |
| 340 | Q | 48.8 | Very low | 48.2 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 55% | 0.547 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -62 | -35.4 | -177.1 | -171.8 | 169 | -14.1 | 0 | 0 | 112.6 | K336 Q342 A343 E344 | K336-Q340 PolarHBondContact O-N 3.11Å; K336-Q340 VanDerWaalsContact O-N 3.13Å; Q340-Q342 PolarHBondContact O-N 3.06Å; Q340-Q342 VanDerWaalsContact O-N 3.12Å; Q340-A343 PolarHBondContact O-N 2.59Å; Q340-E344 PolarHBondContact NE2-OE1 3.24Å; Q340-E344 VanDerWaalsContact NE2-OE1 3.13Å |
| 341 | A | 50.8 | Low | 47.6 | Very low | 78 Ų | 78 | 137.8 Ų | 137.8 | 65% | 0.645 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -62.5 | -16.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | I339 | I339-A341 VanDerWaalsContact C-N 3.27Å; I339-A341 PolarHBondContact O-N 3.18Å |
| 342 | Q | 47.1 | Very low | 47 | Very low | 164 Ų | 164 | 136.4 Ų | 136.4 | 77% | 0.766 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -94.7 | -23.1 | 173.4 | -64.9 | -169.4 | -57.7 | 0 | 0 | 113.2 | I339 Q340 | I339-Q342 PolarHBondContact O-N 3.43Å; I339-Q342 VanDerWaalsContact O-N 3.11Å; Q340-Q342 PolarHBondContact O-N 3.06Å; Q340-Q342 VanDerWaalsContact O-N 3.12Å |
| 343 | A | 50.2 | Low | 46.9 | Very low | 67 Ų | 67 | 138.8 Ų | 138.8 | 55% | 0.554 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -77.1 | -32.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q340 S345 Q346 | Q340-A343 PolarHBondContact O-N 2.59Å; A343-S345 PolarHBondContact O-N 3.26Å; A343-Q346 PolarHBondContact O-N 3.26Å |
| 344 | E | 49 | Very low | 46.5 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 69% | 0.687 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -1.5 | -173.8 | -66.4 | 176.2 | -177.9 | 0 | 0 | 114.1 | Q340 | Q340-E344 PolarHBondContact NE2-OE1 3.24Å; Q340-E344 VanDerWaalsContact NE2-OE1 3.13Å |
| 345 | S | 47.1 | Very low | 46.4 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 75% | 0.748 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -9.6 | -179 | -149.9 | 0 | 0 | 0 | 0 | 114.7 | A343 | A343-S345 PolarHBondContact O-N 3.26Š|
| 346 | Q | 42.6 | Very low | 46.7 | Very low | 180 Ų | 180 | 132 Ų | 132 | 84% | 0.841 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -137.8 | 64.7 | -174.5 | -64.9 | -168.4 | 21.9 | 0 | 0 | 115.2 | A343 | A343-Q346 PolarHBondContact O-N 3.26Š|
| 347 | S | 39.3 | Very low | 46.8 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -164.3 | 99.1 | 152.6 | 39.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 348 | R | 39.7 | Very low | 46.8 | Very low | 208 Ų | 208 | 136 Ų | 136 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | trans | -119.8 | 158.2 | 164.9 | -158.1 | 178.8 | -154.8 | -169.7 | 6.5 | 108.3 | ||||
| 349 | W | 33.2 | Very low | 47.2 | Very low | 211 Ų | 211 | 132.2 Ų | 132.2 | 80% | 0.799 | 70% | 0.699 | S | S | * | * | trans | 79.2 | 152.6 | -179.6 | -41.8 | 111.5 | 0 | 0 | 0 | 114.9 | ||||
| 350 | P | 48.2 | Very low | 47.5 | Very low | 112 Ų | 112 | 132 Ų | 132 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | -131.7 | 161.5 | -60.4 | 34.8 | -20.9 | 0 | 0 | 0 | 112.7 | |||||
| 351 | E | 41.5 | Very low | 48 | Very low | 198 Ų | 198 | 132.5 Ų | 132.5 | 93% | 0.925 | 71% | 0.705 | S | S | * | * | trans | -69.9 | 138 | 168.4 | -67.6 | 171 | 113.9 | 0 | 0 | 110.8 | ||||
| 352 | Q | 38.9 | Very low | 48.8 | Very low | 171 Ų | 171 | 132.4 Ų | 132.4 | 80% | 0.799 | 69% | 0.694 | S | S | * | * | trans | -120.9 | 133.2 | 172.4 | -170.9 | 171.7 | -0.1 | 0 | 0 | 108.5 | D354 | Q352-D354 PolarHBondContact O-N 3.03Š| ||
| 353 | P | 48.8 | Very low | 50 | Low | 125 Ų | 125 | 130.1 Ų | 130.1 | 81% | 0.812 | 68% | 0.681 | S | S | * | * | trans | -80.3 | 112.2 | -174.4 | 30.1 | -33.6 | 0 | 0 | 0 | 111.6 | ||||
| 354 | D | 42.4 | Very low | 51.1 | Low | 146 Ų | 146 | 131.9 Ų | 131.9 | 78% | 0.781 | 68% | 0.681 | S | S | * | * | trans | -73.1 | 138.1 | 176.4 | -84.6 | -34 | 0 | 0 | 0 | 112.8 | Q352 | Q352-D354 PolarHBondContact O-N 3.03Š| ||
| 355 | N | 48.2 | Very low | 52.4 | Low | 106 Ų | 106 | 130.8 Ų | 130.8 | 57% | 0.567 | 68% | 0.68 | S | S | * | * | trans | -73.7 | 121.8 | 177.8 | -175.2 | 20.8 | 0 | 0 | 0 | 110.4 | E357 | N355-E357 VanDerWaalsContact C-N 3.29Å; N355-E357 PolarHBondContact O-N 2.9Å; N355-E357 VanDerWaalsContact O-N 3.13Å | ||
| 356 | P | 56.8 | Low | 53.9 | Low | 108 Ų | 108 | 133.3 Ų | 133.3 | 70% | 0.701 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -64.6 | -23.6 | -165.2 | 22 | -34.7 | 0 | 0 | 0 | 115.8 | N358 G359 | P356-N358 PolarHBondContact O-N 2.7Å; P356-G359 PolarHBondContact O-N 3.17Å |
| 357 | E | 53.8 | Low | 55.7 | Low | 170 Ų | 170 | 128.9 Ų | 128.9 | 79% | 0.794 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -76.1 | -22.5 | -168.2 | -61.5 | -171.3 | 140.1 | 0 | 0 | 114.9 | N355 | N355-E357 VanDerWaalsContact C-N 3.29Å; N355-E357 PolarHBondContact O-N 2.9Å; N355-E357 VanDerWaalsContact O-N 3.13Å |
| 358 | N | 51.4 | Low | 57.5 | Low | 108 Ų | 108 | 128.9 Ų | 128.9 | 58% | 0.578 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -90 | -11.7 | 173.8 | -72.3 | -29.8 | 0 | 0 | 0 | 113.1 | P356 D360 L361 D362 | P356-N358 PolarHBondContact O-N 2.7Å; N358-D360 VanDerWaalsContact C-N 3.3Å; N358-D360 PolarHBondContact O-N 3.21Å; N358-D360 VanDerWaalsContact O-N 3.13Å; N358-L361 PolarHBondContact O-N 3.02Å; N358-D362 PolarHBondContact O-N 3.12Å |
| 359 | G | 58.5 | Low | 59.5 | Low | 21 Ų | 21 | 121.9 Ų | 121.9 | 22% | 0.216 | 63% | 0.632 | C | S | . | * | H | α-helix | trans | -64.7 | -24.5 | -161.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | P356 K363 | P356-G359 PolarHBondContact O-N 3.17Å; G359-K363 WeakPolarHBondContact O-CD 3.48Å; G359-K363 WeakPolarHBondContact O-CE 3.48Å; G359-K363 WeakPolarHBondContact O-CG 3.43Å; G359-K363 PolarHBondContact O-N 3.1Å; G359-K363 PolarHBondContact O-NZ 2.71Å |
| 360 | D | 60.8 | Low | 61.8 | Low | 110 Ų | 110 | 118 Ų | 118 | 59% | 0.588 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -89.2 | -26.5 | -177.3 | -76.6 | -7.8 | 0 | 0 | 0 | 113.9 | N358 K363 L364 | N358-D360 VanDerWaalsContact C-N 3.3Å; N358-D360 PolarHBondContact O-N 3.21Å; N358-D360 VanDerWaalsContact O-N 3.13Å; D360-K363 WeakPolarHBondContact OD1-CD 3.45Å; D360-K363 IonicContact OD1-NZ 2.62Å; D360-K363 PolarHBondContact OD1-NZ 2.89Å; D360-L364 WeakPolarHBondContact O-CG 3.35Å; D360-L364 PolarHBondContact O-N 3.44Å |
| 361 | L | 60.8 | Low | 63.4 | Low | 128 Ų | 128 | 114.5 Ų | 114.5 | 67% | 0.67 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71.6 | -46.3 | 169.2 | -75.9 | 163.9 | 0 | 0 | 0 | 110.4 | N358 K363 L364 D365 | N358-L361 PolarHBondContact O-N 3.02Å; L361-K363 VanDerWaalsContact C-N 3.27Å; L361-K363 PolarHBondContact O-N 3.43Å; L361-L364 PolarHBondContact O-N 2.98Å; L361-D365 PolarHBondContact O-N 3.35Å |
| 362 | D | 66.8 | Low | 65.6 | Low | 76 Ų | 76 | 108.8 Ų | 108.8 | 41% | 0.406 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -59.8 | -35.6 | 177.5 | -119.6 | 58.9 | 0 | 0 | 0 | 112.5 | N358 R366 | N358-D362 PolarHBondContact O-N 3.12Å; D362-R366 VanDerWaalsContact O-CB 3.29Å; D362-R366 WeakPolarHBondContact O-CB 3.45Å; D362-R366 WeakPolarHBondContact O-CD 3.46Å; D362-R366 WeakPolarHBondContact O-CG 3.27Å; D362-R366 PolarHBondContact O-N 2.93Å; D362-R366 IonicContact OD2-CZ 3.4Å; D362-R366 IonicContact OD2-NE 3.94Å; D362-R366 PolarHBondContact OD2-NE 3.37Å; D362-R366 IonicContact OD2-NH2 2.74Å; D362-R366 PolarHBondContact OD2-NH2 3.3Å |
| 363 | K | 71.1 | Confident | 67.8 | Low | 116 Ų | 116 | 106.2 Ų | 106.2 | 50% | 0.504 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65 | -43.5 | 172.7 | -75.9 | 161.3 | -157 | 141.6 | 0 | 112 | G359 D360 L361 R366 V367 | G359-K363 WeakPolarHBondContact O-CD 3.48Å; G359-K363 WeakPolarHBondContact O-CE 3.48Å; G359-K363 WeakPolarHBondContact O-CG 3.43Å; G359-K363 PolarHBondContact O-N 3.1Å; G359-K363 PolarHBondContact O-NZ 2.71Å; D360-K363 WeakPolarHBondContact OD1-CD 3.45Å; D360-K363 IonicContact OD1-NZ 2.62Å; D360-K363 PolarHBondContact OD1-NZ 2.89Å; L361-K363 VanDerWaalsContact C-N 3.27Å; L361-K363 PolarHBondContact O-N 3.43Å; K363-R366 PolarHBondContact O-N 3.37Å; K363-V367 WeakPolarHBondContact O-CB 3.36Å; K363-V367 VanDerWaalsContact O-CG2 3.28Å; K363-V367 WeakPolarHBondContact O-CG2 3.3Å; K363-V367 PolarHBondContact O-N 3.04Å |
| 364 | L | 73.1 | Confident | 69.8 | Low | 105 Ų | 105 | 105.5 Ų | 105.5 | 55% | 0.55 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.3 | -44.9 | -180 | -74.8 | 167.4 | 0 | 0 | 0 | 111.4 | D360 L361 V367 H368 | D360-L364 WeakPolarHBondContact O-CG 3.35Å; D360-L364 PolarHBondContact O-N 3.44Å; L361-L364 PolarHBondContact O-N 2.98Å; L364-V367 PolarHBondContact O-N 3.37Å; L364-H368 PolarHBondContact O-CD2 3.24Å; L364-H368 PolarHBondContact O-N 3.04Å |
| 365 | D | 78.1 | Confident | 72 | Confident | 124 Ų | 124 | 104 Ų | 104 | 66% | 0.663 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.8 | -38.8 | 177 | -92.9 | 11.7 | 0 | 0 | 0 | 112.3 | L361 V367 H368 A369 | L361-D365 PolarHBondContact O-N 3.35Å; D365-V367 PolarHBondContact O-N 3.48Å; D365-H368 PolarHBondContact O-N 3.14Å; D365-A369 WeakPolarHBondContact O-CB 3.46Å; D365-A369 PolarHBondContact O-N 3.27Å |
| 366 | R | 77.9 | Confident | 73.8 | Confident | 159 Ų | 159 | 103.8 Ų | 103.8 | 60% | 0.6 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.4 | -40.1 | 172.7 | -71.8 | 170.1 | -163.1 | -141.9 | 10.4 | 112.1 | D362 K363 Q370 | D362-R366 VanDerWaalsContact O-CB 3.29Å; D362-R366 WeakPolarHBondContact O-CB 3.45Å; D362-R366 WeakPolarHBondContact O-CD 3.46Å; D362-R366 WeakPolarHBondContact O-CG 3.27Å; D362-R366 PolarHBondContact O-N 2.93Å; D362-R366 IonicContact OD2-CZ 3.4Å; D362-R366 IonicContact OD2-NE 3.94Å; D362-R366 PolarHBondContact OD2-NE 3.37Å; D362-R366 IonicContact OD2-NH2 2.74Å; D362-R366 PolarHBondContact OD2-NH2 3.3Å; K363-R366 PolarHBondContact O-N 3.37Å; R366-Q370 VanDerWaalsContact O-CB 3.3Å; R366-Q370 WeakPolarHBondContact O-CB 3.43Å; R366-Q370 PolarHBondContact O-N 2.97Å |
| 367 | V | 79.9 | Confident | 75.2 | Confident | 87 Ų | 87 | 101 Ų | 101 | 53% | 0.527 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.4 | -40.6 | 174.6 | 166.9 | 0 | 0 | 0 | 0 | 111.4 | K363 L364 D365 Q370 A371 | K363-V367 WeakPolarHBondContact O-CB 3.36Å; K363-V367 VanDerWaalsContact O-CG2 3.28Å; K363-V367 WeakPolarHBondContact O-CG2 3.3Å; K363-V367 PolarHBondContact O-N 3.04Å; L364-V367 PolarHBondContact O-N 3.37Å; D365-V367 PolarHBondContact O-N 3.48Å; V367-Q370 PolarHBondContact O-N 3.38Å; V367-A371 WeakPolarHBondContact O-CB 3.41Å; V367-A371 PolarHBondContact O-N 2.99Å |
| 368 | H | 76.6 | Confident | 76.8 | Confident | 117 Ų | 117 | 98.9 Ų | 98.9 | 54% | 0.542 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.8 | -46.9 | 174.3 | -93.9 | -79.8 | 0 | 0 | 0 | 112.1 | L364 D365 Q370 A371 E372 | L364-H368 PolarHBondContact O-CD2 3.24Å; L364-H368 PolarHBondContact O-N 3.04Å; D365-H368 PolarHBondContact O-N 3.14Å; H368-Q370 VanDerWaalsContact C-N 3.34Å; H368-Q370 PolarHBondContact O-N 3.18Å; H368-A371 PolarHBondContact O-N 3.47Å; H368-E372 PolarHBondContact O-N 2.78Å |
| 369 | A | 81.7 | Confident | 78.7 | Confident | 62 Ų | 62 | 99.4 Ų | 99.4 | 51% | 0.512 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | D365 E372 H373 | D365-A369 WeakPolarHBondContact O-CB 3.46Å; D365-A369 PolarHBondContact O-N 3.27Å; A369-E372 PolarHBondContact O-N 2.67Å; A369-H373 WeakPolarHBondContact O-CB 3.33Å; A369-H373 PolarHBondContact O-N 2.68Å |
| 370 | Q | 82.6 | Confident | 80.2 | Confident | 128 Ų | 128 | 103.8 Ų | 103.8 | 60% | 0.598 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.7 | -40.3 | 175.3 | -169 | 177 | 36.4 | 0 | 0 | 112 | R366 V367 H368 H373 L374 | R366-Q370 VanDerWaalsContact O-CB 3.3Å; R366-Q370 WeakPolarHBondContact O-CB 3.43Å; R366-Q370 PolarHBondContact O-N 2.97Å; V367-Q370 PolarHBondContact O-N 3.38Å; H368-Q370 VanDerWaalsContact C-N 3.34Å; H368-Q370 PolarHBondContact O-N 3.18Å; Q370-H373 PolarHBondContact O-N 3.49Å; Q370-L374 VanDerWaalsContact O-CG 3.32Å; Q370-L374 WeakPolarHBondContact O-CG 3.3Å; Q370-L374 PolarHBondContact O-N 3.23Å |
| 371 | A | 81.8 | Confident | 81.6 | Confident | 39 Ų | 39 | 107.6 Ų | 107.6 | 32% | 0.322 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66 | -41.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V367 H368 L374 K375 | V367-A371 WeakPolarHBondContact O-CB 3.41Å; V367-A371 PolarHBondContact O-N 2.99Å; H368-A371 PolarHBondContact O-N 3.47Å; A371-L374 PolarHBondContact O-N 2.87Å; A371-K375 WeakPolarHBondContact O-CG 3.45Å; A371-K375 PolarHBondContact O-N 3.34Å; A371-K375 VanDerWaalsContact O-N 3.08Å |
| 372 | E | 87.9 | Confident | 83.1 | Confident | 79 Ų | 79 | 106.1 Ų | 106.1 | 37% | 0.369 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.7 | -40.5 | 174.1 | -67.7 | -50.5 | 134.4 | 0 | 0 | 112.2 | H368 A369 L374 K375 Q376 | H368-E372 PolarHBondContact O-N 2.78Å; A369-E372 PolarHBondContact O-N 2.67Å; E372-L374 VanDerWaalsContact C-N 3.33Å; E372-L374 PolarHBondContact O-N 3.45Å; E372-K375 WeakPolarHBondContact O-CB 3.24Å; E372-K375 PolarHBondContact O-N 2.83Å; E372-K375 IonicContact OE1-NZ 3.79Å; E372-K375 PolarHBondContact OE1-NZ 3Å; E372-K375 WeakPolarHBondContact OE2-CD 3.41Å; E372-K375 IonicContact OE2-NZ 3.14Å; E372-Q376 WeakPolarHBondContact O-CG 3.35Å; E372-Q376 PolarHBondContact O-N 2.99Å |
| 373 | H | 85.5 | Confident | 84.3 | Confident | 117 Ų | 117 | 107.7 Ų | 107.7 | 54% | 0.542 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.6 | -42.9 | 174.4 | -178.1 | -94.2 | 0 | 0 | 0 | 112 | A369 Q370 Q376 C377 | A369-H373 WeakPolarHBondContact O-CB 3.33Å; A369-H373 PolarHBondContact O-N 2.68Å; Q370-H373 PolarHBondContact O-N 3.49Å; H373-Q376 PolarHBondContact O-N 3.06Å; H373-C377 PolarHBondContact CE1-SG 2.95Å; H373-C377 PolarHBondContact O-N 2.82Å; H373-C377 PolarHBondContact O-SG 3Å |
| 374 | L | 89.2 | Confident | 85.3 | Confident | 110 Ų | 110 | 107.2 Ų | 107.2 | 58% | 0.576 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.6 | -41.1 | 175.7 | -72.7 | 170.1 | 0 | 0 | 0 | 112.4 | Q370 A371 E372 C377 Q378 | Q370-L374 VanDerWaalsContact O-CG 3.32Å; Q370-L374 WeakPolarHBondContact O-CG 3.3Å; Q370-L374 PolarHBondContact O-N 3.23Å; A371-L374 PolarHBondContact O-N 2.87Å; E372-L374 VanDerWaalsContact C-N 3.33Å; E372-L374 PolarHBondContact O-N 3.45Å; L374-C377 PolarHBondContact O-N 3.05Å; L374-Q378 WeakPolarHBondContact O-CB 3.45Å; L374-Q378 PolarHBondContact O-N 3.02Å |
| 375 | K | 88.5 | Confident | 86.2 | Confident | 114 Ų | 114 | 107.9 Ų | 107.9 | 50% | 0.496 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 173 | -69.3 | 167.8 | -171 | 174.2 | 0 | 111.7 | A371 E372 Q378 M379 | A371-K375 WeakPolarHBondContact O-CG 3.45Å; A371-K375 PolarHBondContact O-N 3.34Å; A371-K375 VanDerWaalsContact O-N 3.08Å; E372-K375 WeakPolarHBondContact O-CB 3.24Å; E372-K375 PolarHBondContact O-N 2.83Å; E372-K375 IonicContact OE1-NZ 3.79Å; E372-K375 PolarHBondContact OE1-NZ 3Å; E372-K375 WeakPolarHBondContact OE2-CD 3.41Å; E372-K375 IonicContact OE2-NZ 3.14Å; K375-Q378 PolarHBondContact O-N 3.18Å; K375-M379 WeakPolarHBondContact O-CB 3.4Å; K375-M379 PolarHBondContact O-N 2.9Å |
| 376 | Q | 86.3 | Confident | 86.8 | Confident | 102 Ų | 102 | 108.3 Ų | 108.3 | 48% | 0.477 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 178.8 | -70.6 | 174.2 | 27.4 | 0 | 0 | 111.8 | E372 H373 Q378 M379 Q380 | E372-Q376 WeakPolarHBondContact O-CG 3.35Å; E372-Q376 PolarHBondContact O-N 2.99Å; H373-Q376 PolarHBondContact O-N 3.06Å; Q376-Q378 VanDerWaalsContact C-N 3.33Å; Q376-Q378 PolarHBondContact O-N 3.21Å; Q376-M379 PolarHBondContact O-N 2.87Å; Q376-Q380 WeakPolarHBondContact O-CG 3.43Å; Q376-Q380 PolarHBondContact O-N 3.43Å |
| 377 | C | 86.6 | Confident | 87.7 | Confident | 48 Ų | 48 | 108 Ų | 108 | 32% | 0.324 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 173.7 | -67.6 | 0 | 0 | 0 | 0 | 112.4 | H373 L374 R381 | H373-C377 PolarHBondContact CE1-SG 2.95Å; H373-C377 PolarHBondContact O-N 2.82Å; H373-C377 PolarHBondContact O-SG 3Å; L374-C377 PolarHBondContact O-N 3.05Å; C377-R381 WeakPolarHBondContact O-CB 3.37Å; C377-R381 PolarHBondContact O-N 3.1Å; C377-R381 VanDerWaalsContact O-N 3.12Å |
| 378 | Q | 87.8 | Confident | 88.3 | Confident | 127 Ų | 127 | 108 Ų | 108 | 59% | 0.593 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.7 | -42.3 | 175.5 | -171.1 | 177.2 | 14.1 | 0 | 0 | 111.6 | L374 K375 Q376 R381 L382 | L374-Q378 WeakPolarHBondContact O-CB 3.45Å; L374-Q378 PolarHBondContact O-N 3.02Å; K375-Q378 PolarHBondContact O-N 3.18Å; Q376-Q378 VanDerWaalsContact C-N 3.33Å; Q376-Q378 PolarHBondContact O-N 3.21Å; Q378-R381 PolarHBondContact O-N 2.9Å; Q378-L382 HydrophobicContact CG-CD1 4.45Å; Q378-L382 WeakPolarHBondContact O-CG 3.41Å; Q378-L382 PolarHBondContact O-N 3.03Å; Q378-L382 VanDerWaalsContact O-N 3.07Å |
| 379 | M | 90.8 | Very high | 89.1 | Confident | 119 Ų | 119 | 106.7 Ų | 106.7 | 59% | 0.586 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.9 | -45 | 177.1 | -176.5 | 172.7 | 65.1 | 0 | 0 | 112.1 | K375 Q376 R381 L382 Q383 | K375-M379 WeakPolarHBondContact O-CB 3.4Å; K375-M379 PolarHBondContact O-N 2.9Å; Q376-M379 PolarHBondContact O-N 2.87Å; M379-R381 PolarHBondContact O-N 3.31Å; M379-L382 PolarHBondContact O-N 3.3Å; M379-Q383 WeakPolarHBondContact O-CB 3.26Å; M379-Q383 PolarHBondContact O-N 3.36Å |
| 380 | Q | 90.3 | Very high | 89.6 | Confident | 113 Ų | 113 | 107.3 Ų | 107.3 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.6 | -45 | 174.8 | -75.8 | 179 | -12.4 | 0 | 0 | 111.8 | Q376 L382 Q383 E384 | Q376-Q380 WeakPolarHBondContact O-CG 3.43Å; Q376-Q380 PolarHBondContact O-N 3.43Å; Q380-L382 VanDerWaalsContact C-N 3.33Å; Q380-L382 PolarHBondContact O-N 2.92Å; Q380-Q383 CarbonylContact O-C 3.58Å; Q380-Q383 PolarHBondContact O-N 2.8Å; Q380-Q383 VanDerWaalsContact O-N 3.15Å; Q380-E384 WeakPolarHBondContact O-CG 3.32Å; Q380-E384 PolarHBondContact O-N 3.5Å |
| 381 | R | 90.8 | Very high | 90.1 | Very high | 189 Ų | 189 | 104.5 Ų | 104.5 | 71% | 0.713 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.3 | -39.9 | 177.2 | -172.3 | -177.2 | -61.8 | -158.4 | -0.5 | 112.7 | C377 Q378 M379 E384 Q385 | C377-R381 WeakPolarHBondContact O-CB 3.37Å; C377-R381 PolarHBondContact O-N 3.1Å; C377-R381 VanDerWaalsContact O-N 3.12Å; Q378-R381 PolarHBondContact O-N 2.9Å; M379-R381 PolarHBondContact O-N 3.31Å; R381-E384 PolarHBondContact O-N 3.04Å; R381-Q385 WeakPolarHBondContact O-CB 3.36Å; R381-Q385 PolarHBondContact O-N 3.48Å |
| 382 | L | 91.6 | Very high | 90.7 | Very high | 97 Ų | 97 | 107.2 Ų | 107.2 | 51% | 0.508 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 175 | -70.4 | 168.8 | 0 | 0 | 0 | 111.5 | Q378 M379 Q380 E384 Q385 E386 | Q378-L382 HydrophobicContact CG-CD1 4.45Å; Q378-L382 WeakPolarHBondContact O-CG 3.41Å; Q378-L382 PolarHBondContact O-N 3.03Å; Q378-L382 VanDerWaalsContact O-N 3.07Å; M379-L382 PolarHBondContact O-N 3.3Å; Q380-L382 VanDerWaalsContact C-N 3.33Å; Q380-L382 PolarHBondContact O-N 2.92Å; L382-E384 VanDerWaalsContact C-N 3.3Å; L382-E384 PolarHBondContact O-N 3.42Å; L382-Q385 PolarHBondContact O-N 2.82Å; L382-E386 PolarHBondContact O-N 2.95Å |
| 383 | Q | 92.8 | Very high | 90.9 | Very high | 110 Ų | 110 | 110.8 Ų | 110.8 | 51% | 0.514 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.6 | -27.6 | 176.2 | -165.1 | -178.7 | 20 | 0 | 0 | 112.9 | M379 Q380 R387 | M379-Q383 WeakPolarHBondContact O-CB 3.26Å; M379-Q383 PolarHBondContact O-N 3.36Å; Q380-Q383 CarbonylContact O-C 3.58Å; Q380-Q383 PolarHBondContact O-N 2.8Å; Q380-Q383 VanDerWaalsContact O-N 3.15Å; Q383-R387 VanDerWaalsContact O-CG 3.3Å; Q383-R387 WeakPolarHBondContact O-CG 3.41Å; Q383-R387 PolarHBondContact O-N 3.32Å; Q383-R387 PolarHBondContact O-NE 2.84Å |
| 384 | E | 92.2 | Very high | 91.2 | Very high | 105 Ų | 105 | 108.3 Ų | 108.3 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -73 | -45 | 169.9 | -76.7 | 174.2 | 170.3 | 0 | 0 | 111.9 | Q380 R381 L382 E386 R387 V388 | Q380-E384 WeakPolarHBondContact O-CG 3.32Å; Q380-E384 PolarHBondContact O-N 3.5Å; R381-E384 PolarHBondContact O-N 3.04Å; L382-E384 VanDerWaalsContact C-N 3.3Å; L382-E384 PolarHBondContact O-N 3.42Å; E384-E386 VanDerWaalsContact C-N 3.31Å; E384-E386 PolarHBondContact O-N 2.94Å; E384-R387 PolarHBondContact O-N 3.33Å; E384-R387 IonicContact OE1-NH2 3.68Å; E384-V388 WeakPolarHBondContact O-CG2 3.5Å; E384-V388 PolarHBondContact O-N 3.27Å |
| 385 | Q | 90.4 | Very high | 91.4 | Very high | 120 Ų | 120 | 108.4 Ų | 108.4 | 56% | 0.561 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.4 | -41.7 | 174.7 | -173 | 174.1 | 47.9 | 0 | 0 | 111.7 | R381 L382 V388 L389 | R381-Q385 WeakPolarHBondContact O-CB 3.36Å; R381-Q385 PolarHBondContact O-N 3.48Å; L382-Q385 PolarHBondContact O-N 2.82Å; Q385-V388 PolarHBondContact O-N 2.89Å; Q385-L389 HydrophobicContact CG-CD1 4.22Å; Q385-L389 WeakPolarHBondContact O-CB 3.4Å; Q385-L389 VanDerWaalsContact O-CG 3.31Å; Q385-L389 WeakPolarHBondContact O-CG 3.44Å; Q385-L389 PolarHBondContact O-N 3.19Å |
| 386 | E | 92.6 | Very high | 91.6 | Very high | 133 Ų | 133 | 107.4 Ų | 107.4 | 62% | 0.621 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.5 | -44.2 | 174.7 | -175 | 170.4 | -144.5 | 0 | 0 | 112.1 | L382 E384 V388 L389 Q390 | L382-E386 PolarHBondContact O-N 2.95Å; E384-E386 VanDerWaalsContact C-N 3.31Å; E384-E386 PolarHBondContact O-N 2.94Å; E386-V388 VanDerWaalsContact C-N 3.33Å; E386-V388 PolarHBondContact O-N 2.69Å; E386-L389 PolarHBondContact O-N 2.9Å; E386-Q390 WeakPolarHBondContact O-CB 3.47Å; E386-Q390 PolarHBondContact O-N 2.69Å |
| 387 | R | 94.8 | Very high | 91.7 | Very high | 152 Ų | 152 | 111 Ų | 111 | 57% | 0.574 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.6 | -40 | 175 | -79.1 | -177 | -73.8 | 164 | -5.1 | 112.6 | Q383 E384 Q390 S391 | Q383-R387 VanDerWaalsContact O-CG 3.3Å; Q383-R387 WeakPolarHBondContact O-CG 3.41Å; Q383-R387 PolarHBondContact O-N 3.32Å; Q383-R387 PolarHBondContact O-NE 2.84Å; E384-R387 PolarHBondContact O-N 3.33Å; E384-R387 IonicContact OE1-NH2 3.68Å; R387-Q390 PolarHBondContact O-N 2.97Å; R387-S391 PolarHBondContact O-N 3.46Å |
| 388 | V | 94.4 | Very high | 92 | Very high | 86 Ų | 86 | 114 Ų | 114 | 52% | 0.521 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.6 | -42.6 | 175.9 | 173.1 | 0 | 0 | 0 | 0 | 111.8 | E384 Q385 E386 Q390 S391 L392 | E384-V388 WeakPolarHBondContact O-CG2 3.5Å; E384-V388 PolarHBondContact O-N 3.27Å; Q385-V388 PolarHBondContact O-N 2.89Å; E386-V388 VanDerWaalsContact C-N 3.33Å; E386-V388 PolarHBondContact O-N 2.69Å; V388-Q390 VanDerWaalsContact C-N 3.27Å; V388-Q390 PolarHBondContact O-N 2.93Å; V388-S391 PolarHBondContact O-N 3.47Å; V388-S391 PolarHBondContact O-OG 3.09Å; V388-S391 VanDerWaalsContact O-OG 3.05Å; V388-L392 HydrophobicContact CG1-CD1 4.13Å; V388-L392 VanDerWaalsContact O-CG 3.31Å; V388-L392 WeakPolarHBondContact O-CG 3.28Å; V388-L392 PolarHBondContact O-N 2.91Å |
| 389 | L | 92.8 | Very high | 92.1 | Very high | 91 Ų | 91 | 113 Ų | 113 | 48% | 0.476 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.5 | -34.7 | 175.4 | -72.7 | 171.6 | 0 | 0 | 0 | 111.9 | Q385 E386 R393 | Q385-L389 HydrophobicContact CG-CD1 4.22Å; Q385-L389 WeakPolarHBondContact O-CB 3.4Å; Q385-L389 VanDerWaalsContact O-CG 3.31Å; Q385-L389 WeakPolarHBondContact O-CG 3.44Å; Q385-L389 PolarHBondContact O-N 3.19Å; E386-L389 PolarHBondContact O-N 2.9Å; L389-R393 WeakPolarHBondContact O-CG 3.32Å; L389-R393 PolarHBondContact O-N 3.28Å |
| 390 | Q | 92.1 | Very high | 91.9 | Very high | 74 Ų | 74 | 111.7 Ų | 111.7 | 35% | 0.346 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.3 | -44.8 | 176.4 | -171 | 52.8 | 39 | 0 | 0 | 112.1 | E386 R387 V388 L392 R393 D394 | E386-Q390 WeakPolarHBondContact O-CB 3.47Å; E386-Q390 PolarHBondContact O-N 2.69Å; R387-Q390 PolarHBondContact O-N 2.97Å; V388-Q390 VanDerWaalsContact C-N 3.27Å; V388-Q390 PolarHBondContact O-N 2.93Å; Q390-L392 VanDerWaalsContact C-N 3.28Å; Q390-L392 PolarHBondContact O-N 3.35Å; Q390-R393 WeakPolarHBondContact O-CB 3.47Å; Q390-R393 PolarHBondContact O-N 3.31Å; Q390-R393 VanDerWaalsContact O-N 3.07Å; Q390-R393 VanDerWaalsContact OE1-NH1 3.1Å; Q390-D394 PolarHBondContact NE2-OD1 3.07Å; Q390-D394 PolarHBondContact NE2-OD2 3.39Å; Q390-D394 PolarHBondContact O-N 3.04Å |
| 391 | S | 93.4 | Very high | 91.8 | Very high | 69 Ų | 69 | 111 Ų | 111 | 48% | 0.483 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.9 | -33.5 | 176.3 | 69.4 | 0 | 0 | 0 | 0 | 112.9 | R387 V388 D394 L395 | R387-S391 PolarHBondContact O-N 3.46Å; V388-S391 PolarHBondContact O-N 3.47Å; V388-S391 PolarHBondContact O-OG 3.09Å; V388-S391 VanDerWaalsContact O-OG 3.05Å; S391-D394 PolarHBondContact O-N 3.18Å; S391-L395 VanDerWaalsContact O-CB 3.31Å; S391-L395 WeakPolarHBondContact O-CB 3.35Å; S391-L395 PolarHBondContact O-N 2.87Å |
| 392 | L | 92.9 | Very high | 91.7 | Very high | 97 Ų | 97 | 108.9 Ų | 108.9 | 51% | 0.508 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 171.8 | -73.1 | 169.3 | 0 | 0 | 0 | 112.9 | V388 Q390 N396 | V388-L392 HydrophobicContact CG1-CD1 4.13Å; V388-L392 VanDerWaalsContact O-CG 3.31Å; V388-L392 WeakPolarHBondContact O-CG 3.28Å; V388-L392 PolarHBondContact O-N 2.91Å; Q390-L392 VanDerWaalsContact C-N 3.28Å; Q390-L392 PolarHBondContact O-N 3.35Å; L392-N396 WeakPolarHBondContact O-CB 3.45Å; L392-N396 PolarHBondContact O-N 2.93Å |
| 393 | R | 92.8 | Very high | 91.6 | Very high | 154 Ų | 154 | 109.2 Ų | 109.2 | 58% | 0.581 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65 | -44.6 | 173.9 | -71.2 | 165.2 | 178.5 | 166.9 | -0.5 | 111.5 | L389 Q390 N396 R397 | L389-R393 WeakPolarHBondContact O-CG 3.32Å; L389-R393 PolarHBondContact O-N 3.28Å; Q390-R393 WeakPolarHBondContact O-CB 3.47Å; Q390-R393 PolarHBondContact O-N 3.31Å; Q390-R393 VanDerWaalsContact O-N 3.07Å; Q390-R393 VanDerWaalsContact OE1-NH1 3.1Å; R393-N396 WeakPolarHBondContact O-CB 3.47Å; R393-N396 PolarHBondContact O-N 2.99Å; R393-R397 PolarHBondContact O-N 2.95Å |
| 394 | D | 91.7 | Very high | 91.3 | Very high | 64 Ų | 64 | 109.4 Ų | 109.4 | 34% | 0.342 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.4 | -36.2 | -178.5 | -68 | -43.9 | 0 | 0 | 0 | 111.8 | Q390 S391 R397 L398 | Q390-D394 PolarHBondContact NE2-OD1 3.07Å; Q390-D394 PolarHBondContact NE2-OD2 3.39Å; Q390-D394 PolarHBondContact O-N 3.04Å; S391-D394 PolarHBondContact O-N 3.18Å; D394-R397 PolarHBondContact O-N 2.93Å; D394-L398 WeakPolarHBondContact O-CG 3.19Å; D394-L398 PolarHBondContact O-N 3.4Å |
| 395 | L | 93.1 | Very high | 90.9 | Very high | 113 Ų | 113 | 108.5 Ų | 108.5 | 59% | 0.592 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.4 | -41.8 | 169.7 | -179.1 | 62.3 | 0 | 0 | 0 | 112.2 | S391 L398 Q399 | S391-L395 VanDerWaalsContact O-CB 3.31Å; S391-L395 WeakPolarHBondContact O-CB 3.35Å; S391-L395 PolarHBondContact O-N 2.87Å; L395-L398 PolarHBondContact O-N 3.39Å; L395-Q399 WeakPolarHBondContact O-CB 3.44Å; L395-Q399 PolarHBondContact O-N 2.91Å |
| 396 | N | 92.7 | Very high | 90.5 | Very high | 93 Ų | 93 | 107 Ų | 107 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 175.3 | -172 | -67.6 | 0 | 0 | 0 | 111.2 | L392 R393 L398 Q399 M400 | L392-N396 WeakPolarHBondContact O-CB 3.45Å; L392-N396 PolarHBondContact O-N 2.93Å; R393-N396 WeakPolarHBondContact O-CB 3.47Å; R393-N396 PolarHBondContact O-N 2.99Å; N396-L398 PolarHBondContact O-N 3.19Å; N396-Q399 WeakPolarHBondContact O-CB 3.32Å; N396-Q399 PolarHBondContact O-N 3.4Å; N396-Q399 VanDerWaalsContact O-N 3.16Å; N396-M400 WeakPolarHBondContact O-CG 3.27Å; N396-M400 PolarHBondContact O-N 3.5Å |
| 397 | R | 89.4 | Confident | 89.8 | Confident | 177 Ų | 177 | 104.3 Ų | 104.3 | 67% | 0.668 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -57.3 | -46.8 | 175.5 | -176 | -179.2 | 178.7 | -176.4 | -0.1 | 111.9 | R393 D394 M400 Q401 | R393-R397 PolarHBondContact O-N 2.95Å; D394-R397 PolarHBondContact O-N 2.93Å; R397-M400 PolarHBondContact O-N 3.26Å; R397-Q401 WeakPolarHBondContact O-CB 3.45Å; R397-Q401 PolarHBondContact O-N 3.47Å |
| 398 | L | 92.6 | Very high | 88.7 | Confident | 110 Ų | 110 | 100.2 Ų | 100.2 | 58% | 0.576 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.6 | -43.1 | 174.4 | -78.5 | 161.3 | 0 | 0 | 0 | 112.2 | D394 L395 N396 M400 Q401 K402 | D394-L398 WeakPolarHBondContact O-CG 3.19Å; D394-L398 PolarHBondContact O-N 3.4Å; L395-L398 PolarHBondContact O-N 3.39Å; N396-L398 PolarHBondContact O-N 3.19Å; L398-M400 PolarHBondContact O-N 3.14Å; L398-Q401 PolarHBondContact O-N 3.34Å; L398-K402 WeakPolarHBondContact O-CB 3.16Å; L398-K402 PolarHBondContact O-N 2.92Å |
| 399 | Q | 90.9 | Very high | 87.6 | Confident | 106 Ų | 106 | 101.6 Ų | 101.6 | 50% | 0.495 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 177.3 | -162.9 | -162.9 | 44.1 | 0 | 0 | 112.1 | L395 N396 K403 | L395-Q399 WeakPolarHBondContact O-CB 3.44Å; L395-Q399 PolarHBondContact O-N 2.91Å; N396-Q399 WeakPolarHBondContact O-CB 3.32Å; N396-Q399 PolarHBondContact O-N 3.4Å; N396-Q399 VanDerWaalsContact O-N 3.16Å; Q399-K403 WeakPolarHBondContact O-CG 3.48Å; Q399-K403 PolarHBondContact O-N 2.93Å; Q399-K403 VanDerWaalsContact O-N 3.13Å |
| 400 | M | 84.9 | Confident | 86.5 | Confident | 93 Ų | 93 | 103.2 Ų | 103.2 | 46% | 0.458 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.5 | -40.1 | 177.6 | -69.7 | -60.5 | -70.5 | 0 | 0 | 112 | N396 R397 L398 K403 L404 | N396-M400 WeakPolarHBondContact O-CG 3.27Å; N396-M400 PolarHBondContact O-N 3.5Å; R397-M400 PolarHBondContact O-N 3.26Å; L398-M400 PolarHBondContact O-N 3.14Å; M400-K403 PolarHBondContact O-N 2.9Å; M400-K403 HydrophobicContact SD-CD 3.88Å; M400-L404 WeakPolarHBondContact O-CG 3.36Å; M400-L404 PolarHBondContact O-N 3.3Å |
| 401 | Q | 88.2 | Confident | 85.3 | Confident | 97 Ų | 97 | 108.8 Ų | 108.8 | 45% | 0.453 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59 | -48 | 171.8 | 179.2 | 175.5 | -24.2 | 0 | 0 | 111.3 | R397 L398 K403 L404 E405 | R397-Q401 WeakPolarHBondContact O-CB 3.45Å; R397-Q401 PolarHBondContact O-N 3.47Å; L398-Q401 PolarHBondContact O-N 3.34Å; Q401-K403 VanDerWaalsContact C-N 3.28Å; Q401-K403 PolarHBondContact O-N 2.87Å; Q401-L404 WeakPolarHBondContact O-CB 3.42Å; Q401-L404 PolarHBondContact O-N 3.39Å; Q401-E405 HydrophobicContact CG-CG 4.46Å; Q401-E405 VanDerWaalsContact CG-OE1 3.28Å; Q401-E405 WeakPolarHBondContact CG-OE1 3.48Å; Q401-E405 PolarHBondContact NE2-OE1 3.02Å; Q401-E405 WeakPolarHBondContact O-CG 3.39Å; Q401-E405 PolarHBondContact O-N 3.23Å |
| 402 | K | 89 | Confident | 83.7 | Confident | 145 Ų | 145 | 111.7 Ų | 111.7 | 63% | 0.63 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.8 | -34.2 | 177.8 | -169.6 | 170.5 | -176.4 | 173.4 | 0 | 113 | L398 V406 | L398-K402 WeakPolarHBondContact O-CB 3.16Å; L398-K402 PolarHBondContact O-N 2.92Å; K402-V406 WeakPolarHBondContact O-CB 3.26Å; K402-V406 VanDerWaalsContact O-CG2 3.3Å; K402-V406 WeakPolarHBondContact O-CG2 3.44Å; K402-V406 PolarHBondContact O-N 3.09Å |
| 403 | K | 90.5 | Very high | 82.1 | Confident | 105 Ų | 105 | 114.1 Ų | 114.1 | 46% | 0.457 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.2 | -39 | 172.8 | -73.4 | 166.5 | -179.8 | 168.3 | 0 | 112.5 | Q399 M400 Q401 T407 | Q399-K403 WeakPolarHBondContact O-CG 3.48Å; Q399-K403 PolarHBondContact O-N 2.93Å; Q399-K403 VanDerWaalsContact O-N 3.13Å; M400-K403 PolarHBondContact O-N 2.9Å; M400-K403 HydrophobicContact SD-CD 3.88Å; Q401-K403 VanDerWaalsContact C-N 3.28Å; Q401-K403 PolarHBondContact O-N 2.87Å; K403-T407 WeakPolarHBondContact O-CG2 3.35Å; K403-T407 PolarHBondContact O-N 3.35Å; K403-T407 PolarHBondContact O-OG1 2.92Å |
| 404 | L | 85.1 | Confident | 80.3 | Confident | 113 Ų | 113 | 113.3 Ų | 113.3 | 59% | 0.592 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.1 | -44.9 | 173.9 | -68.4 | 170 | 0 | 0 | 0 | 111.1 | M400 Q401 V406 T407 C408 | M400-L404 WeakPolarHBondContact O-CG 3.36Å; M400-L404 PolarHBondContact O-N 3.3Å; Q401-L404 WeakPolarHBondContact O-CB 3.42Å; Q401-L404 PolarHBondContact O-N 3.39Å; L404-V406 PolarHBondContact O-N 2.9Å; L404-T407 WeakPolarHBondContact CA-OG1 3.3Å; L404-T407 PolarHBondContact O-N 2.88Å; L404-T407 PolarHBondContact O-OG1 3.46Å; L404-T407 VanDerWaalsContact O-OG1 3.06Å; L404-C408 WeakPolarHBondContact O-CB 3.49Å; L404-C408 PolarHBondContact O-N 3.44Å; L404-C408 PolarHBondContact O-SG 3.01Å; L404-C408 VanDerWaalsContact O-SG 3.42Å |
| 405 | E | 85.4 | Confident | 78.4 | Confident | 86 Ų | 86 | 116.8 Ų | 116.8 | 40% | 0.402 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -59.2 | -49.1 | 175.9 | -71.5 | 164.3 | -177.6 | 0 | 0 | 111.5 | Q401 T407 C408 H409 | Q401-E405 HydrophobicContact CG-CG 4.46Å; Q401-E405 VanDerWaalsContact CG-OE1 3.28Å; Q401-E405 WeakPolarHBondContact CG-OE1 3.48Å; Q401-E405 PolarHBondContact NE2-OE1 3.02Å; Q401-E405 WeakPolarHBondContact O-CG 3.39Å; Q401-E405 PolarHBondContact O-N 3.23Å; E405-T407 VanDerWaalsContact C-N 3.33Å; E405-T407 PolarHBondContact O-N 3.3Å; E405-C408 PolarHBondContact O-N 3.4Å; E405-H409 PolarHBondContact O-N 3.49Å; E405-H409 PolarHBondContact O-ND1 3Å |
| 406 | V | 81.8 | Confident | 76.4 | Confident | 90 Ų | 90 | 116.2 Ų | 116.2 | 55% | 0.545 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.1 | -39.5 | 176.5 | 168.4 | 0 | 0 | 0 | 0 | 112.2 | K402 L404 K410 | K402-V406 WeakPolarHBondContact O-CB 3.26Å; K402-V406 VanDerWaalsContact O-CG2 3.3Å; K402-V406 WeakPolarHBondContact O-CG2 3.44Å; K402-V406 PolarHBondContact O-N 3.09Å; L404-V406 PolarHBondContact O-N 2.9Å; V406-K410 WeakPolarHBondContact O-CB 3.37Å; V406-K410 PolarHBondContact O-N 3.23Å |
| 407 | T | 77.9 | Confident | 74.2 | Confident | 75 Ų | 75 | 120.5 Ų | 120.5 | 46% | 0.46 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -74.8 | -27.5 | 177.7 | 48.6 | 0 | 0 | 0 | 0 | 113.3 | K403 L404 E405 R411 | K403-T407 WeakPolarHBondContact O-CG2 3.35Å; K403-T407 PolarHBondContact O-N 3.35Å; K403-T407 PolarHBondContact O-OG1 2.92Å; L404-T407 WeakPolarHBondContact CA-OG1 3.3Å; L404-T407 PolarHBondContact O-N 2.88Å; L404-T407 PolarHBondContact O-OG1 3.46Å; L404-T407 VanDerWaalsContact O-OG1 3.06Å; E405-T407 VanDerWaalsContact C-N 3.33Å; E405-T407 PolarHBondContact O-N 3.3Å; T407-R411 WeakPolarHBondContact O-CB 3.3Å; T407-R411 PolarHBondContact O-N 3.23Å |
| 408 | C | 70.3 | Confident | 72.3 | Confident | 67 Ų | 67 | 120.8 Ų | 120.8 | 45% | 0.453 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.6 | -48.2 | 168.7 | -76.7 | 0 | 0 | 0 | 0 | 112 | L404 E405 K410 R411 Q412 | L404-C408 WeakPolarHBondContact O-CB 3.49Å; L404-C408 PolarHBondContact O-N 3.44Å; L404-C408 PolarHBondContact O-SG 3.01Å; L404-C408 VanDerWaalsContact O-SG 3.42Å; E405-C408 PolarHBondContact O-N 3.4Å; C408-K410 VanDerWaalsContact C-N 3.35Å; C408-K410 PolarHBondContact O-N 3.44Å; C408-R411 PolarHBondContact O-N 2.94Å; C408-R411 VanDerWaalsContact O-N 3.14Å; C408-Q412 WeakPolarHBondContact O-CG 3.43Å; C408-Q412 PolarHBondContact O-N 3.44Å |
| 409 | H | 72.4 | Confident | 70.1 | Confident | 115 Ų | 115 | 120.6 Ų | 120.6 | 53% | 0.532 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -59.8 | -44.8 | 176.1 | -72.6 | 84.2 | 0 | 0 | 0 | 111.4 | E405 R411 Q412 Q413 | E405-H409 PolarHBondContact O-N 3.49Å; E405-H409 PolarHBondContact O-ND1 3Å; H409-R411 VanDerWaalsContact C-N 3.3Å; H409-R411 PolarHBondContact O-N 3.03Å; H409-Q412 PolarHBondContact O-N 2.8Å; H409-Q412 VanDerWaalsContact O-N 3.16Å; H409-Q413 WeakPolarHBondContact O-CG 3.46Å; H409-Q413 PolarHBondContact O-N 3.29Å |
| 410 | K | 69.9 | Low | 67.9 | Low | 125 Ų | 125 | 124.2 Ų | 124.2 | 54% | 0.543 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -62.7 | -35.1 | 176.2 | -166.7 | 169.8 | -174.9 | 177.2 | 0 | 112.6 | V406 C408 Q413 H414 | V406-K410 WeakPolarHBondContact O-CB 3.37Å; V406-K410 PolarHBondContact O-N 3.23Å; C408-K410 VanDerWaalsContact C-N 3.35Å; C408-K410 PolarHBondContact O-N 3.44Å; K410-Q413 PolarHBondContact O-N 2.82Å; K410-H414 PolarHBondContact O-CD2 3.33Å; K410-H414 PolarHBondContact O-N 3.14Å |
| 411 | R | 66.1 | Low | 66.1 | Low | 191 Ų | 191 | 128.7 Ų | 128.7 | 72% | 0.721 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -69.6 | -32.8 | 175.1 | -163.9 | -176.7 | -58.7 | -175.8 | 2.6 | 112.6 | T407 C408 H409 | T407-R411 WeakPolarHBondContact O-CB 3.3Å; T407-R411 PolarHBondContact O-N 3.23Å; C408-R411 PolarHBondContact O-N 2.94Å; C408-R411 VanDerWaalsContact O-N 3.14Å; H409-R411 VanDerWaalsContact C-N 3.3Å; H409-R411 PolarHBondContact O-N 3.03Å |
| 412 | Q | 61 | Low | 64.3 | Low | 130 Ų | 130 | 134.2 Ų | 134.2 | 61% | 0.607 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -72.5 | -36.3 | 173.9 | -71.2 | 171 | -18.6 | 0 | 0 | 112.1 | C408 H409 H414 L415 | C408-Q412 WeakPolarHBondContact O-CG 3.43Å; C408-Q412 PolarHBondContact O-N 3.44Å; H409-Q412 PolarHBondContact O-N 2.8Å; H409-Q412 VanDerWaalsContact O-N 3.16Å; Q412-H414 VanDerWaalsContact C-N 3.27Å; Q412-H414 PolarHBondContact O-N 3.03Å; Q412-L415 WeakPolarHBondContact O-CB 3.32Å; Q412-L415 PolarHBondContact O-N 2.91Å |
| 413 | Q | 58.4 | Low | 62.6 | Low | 148 Ų | 148 | 131.6 Ų | 131.6 | 69% | 0.692 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -64.1 | -26.4 | 176.9 | -75.3 | 173.8 | -25.1 | 0 | 0 | 114 | H409 K410 L415 P416 | H409-Q413 WeakPolarHBondContact O-CG 3.46Å; H409-Q413 PolarHBondContact O-N 3.29Å; K410-Q413 PolarHBondContact O-N 2.82Å; Q413-L415 VanDerWaalsContact C-N 3.33Å; Q413-P416 VanDerWaalsContact O-CD 3.29Å; Q413-P416 WeakPolarHBondContact O-CD 3.47Å |
| 414 | H | 55.2 | Low | 61 | Low | 136 Ų | 136 | 130.6 Ų | 130.6 | 63% | 0.63 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 0.5 | 176.3 | -76.1 | -64.8 | 0 | 0 | 0 | 114.5 | K410 Q412 P416 | K410-H414 PolarHBondContact O-CD2 3.33Å; K410-H414 PolarHBondContact O-N 3.14Å; Q412-H414 VanDerWaalsContact C-N 3.27Å; Q412-H414 PolarHBondContact O-N 3.03Å; H414-P416 VanDerWaalsContact C-CD 3.46Å |
| 415 | L | 51.4 | Low | 59.6 | Low | 137 Ų | 137 | 132.6 Ų | 132.6 | 72% | 0.717 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -83.3 | -18.7 | -173.4 | -157.6 | 60.4 | 0 | 0 | 0 | 117.7 | Q412 Q413 | Q412-L415 WeakPolarHBondContact O-CB 3.32Å; Q412-L415 PolarHBondContact O-N 2.91Å; Q413-L415 VanDerWaalsContact C-N 3.33Å |
| 416 | P | 51 | Low | 58.3 | Low | 102 Ų | 102 | 135.2 Ų | 135.2 | 66% | 0.662 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -91.2 | 9.5 | -171.5 | 36.3 | -35.9 | 0 | 0 | 0 | 116.1 | Q413 H414 | Q413-P416 VanDerWaalsContact O-CD 3.29Å; Q413-P416 WeakPolarHBondContact O-CD 3.47Å; H414-P416 VanDerWaalsContact C-CD 3.46Å |
| 417 | E | 47.5 | Very low | 57.2 | Low | 182 Ų | 182 | 134.8 Ų | 134.8 | 85% | 0.85 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -119.4 | -5.6 | -169.3 | -143.5 | -177.2 | 156.8 | 0 | 0 | 116.4 | ||
| 418 | E | 49.6 | Very low | 56.4 | Low | 184 Ų | 184 | 135.9 Ų | 135.9 | 86% | 0.86 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -90.8 | -5.1 | -179.8 | -70.3 | -165.3 | 128.7 | 0 | 0 | 114.9 | Q420 | E418-Q420 PolarHBondContact O-N 3.37Š|
| 419 | S | 45.1 | Very low | 56 | Low | 106 Ų | 106 | 136.1 Ų | 136.1 | 74% | 0.741 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -2 | -169.6 | 60 | 0 | 0 | 0 | 0 | 116.2 | ||
| 420 | Q | 45.4 | Very low | 55.8 | Low | 181 Ų | 181 | 133.2 Ų | 133.2 | 85% | 0.846 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133 | 50.2 | -174.9 | -67.5 | -161.5 | -0.2 | 0 | 0 | 115.6 | E418 | E418-Q420 PolarHBondContact O-N 3.37Š|
| 421 | K | 46.3 | Very low | 56.1 | Low | 188 Ų | 188 | 130.8 Ų | 130.8 | 82% | 0.817 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -130.8 | 131.1 | 157.9 | -71 | -178.4 | -178.8 | 162.9 | 0 | 110.6 | V423 | K421-V423 PolarHBondContact O-N 2.9Š|
| 422 | K | 51.1 | Low | 56.8 | Low | 213 Ų | 213 | 126.7 Ų | 126.7 | 93% | 0.926 | 66% | 0.657 | S | S | * | * | trans | -67.2 | 102 | 173.9 | -76.6 | -174.6 | 175.5 | -176.7 | 0 | 109 | P424 | K422-P424 WeakPolarHBondContact O-CD 3.18Š| ||
| 423 | V | 53.3 | Low | 57.8 | Low | 90 Ų | 90 | 125.7 Ų | 125.7 | 55% | 0.545 | 66% | 0.655 | S | S | . | * | trans | -70 | 119 | 176.4 | 173.8 | 0 | 0 | 0 | 0 | 108.7 | K421 N427 | K421-V423 PolarHBondContact O-N 2.9Å; V423-N427 HydrophobicContact CG1-CB 3.48Å; V423-N427 VanDerWaalsContact CG1-CB 3.48Å | ||
| 424 | P | 56.8 | Low | 59.1 | Low | 83 Ų | 83 | 122.6 Ų | 122.6 | 54% | 0.539 | 64% | 0.643 | S | S | . | * | trans | -66.9 | 145.8 | 177.8 | 27 | -34.5 | 0 | 0 | 0 | 111.1 | K422 N426 N427 | K422-P424 WeakPolarHBondContact O-CD 3.18Å; P424-N426 PolarHBondContact O-N 3.2Å; P424-N426 VanDerWaalsContact O-N 3.07Å; P424-N427 WeakPolarHBondContact O-CB 3.45Å; P424-N427 PolarHBondContact O-N 3.36Å | ||
| 425 | E | 56 | Low | 60.5 | Low | 156 Ų | 156 | 123.5 Ų | 123.5 | 73% | 0.729 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -27.5 | -164.2 | -63.1 | 174.4 | 144.9 | 0 | 0 | 114.1 | N427 L428 | E425-N427 PolarHBondContact O-N 3.03Å; E425-N427 VanDerWaalsContact O-N 3.12Å; E425-L428 VanDerWaalsContact O-CB 3.31Å; E425-L428 WeakPolarHBondContact O-CB 3.35Å; E425-L428 PolarHBondContact O-N 2.84Å |
| 426 | N | 58.5 | Low | 62.3 | Low | 140 Ų | 140 | 123.1 Ų | 123.1 | 75% | 0.749 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -54.5 | -30.6 | 172 | -65.5 | 6.9 | 0 | 0 | 0 | 112.9 | P424 L428 S430 | P424-N426 PolarHBondContact O-N 3.2Å; P424-N426 VanDerWaalsContact O-N 3.07Å; N426-L428 VanDerWaalsContact C-N 3.34Å; N426-S430 PolarHBondContact O-N 3.33Å; N426-S430 VanDerWaalsContact O-N 3.1Å |
| 427 | N | 58.3 | Low | 63.9 | Low | 81 Ų | 81 | 120.5 Ų | 120.5 | 43% | 0.433 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -74.8 | -21.3 | 176.5 | -70.6 | -25.5 | 0 | 0 | 0 | 113 | V423 P424 E425 S431 | V423-N427 HydrophobicContact CG1-CB 3.48Å; V423-N427 VanDerWaalsContact CG1-CB 3.48Å; P424-N427 WeakPolarHBondContact O-CB 3.45Å; P424-N427 PolarHBondContact O-N 3.36Å; E425-N427 PolarHBondContact O-N 3.03Å; E425-N427 VanDerWaalsContact O-N 3.12Å; N427-S431 WeakPolarHBondContact O-CB 3.35Å; N427-S431 PolarHBondContact O-N 2.93Å |
| 428 | L | 60.5 | Low | 65.8 | Low | 98 Ų | 98 | 120.2 Ų | 120.2 | 51% | 0.513 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -69.6 | -47 | 174.1 | -59.2 | 175.2 | 0 | 0 | 0 | 110 | E425 N426 S430 S431 I432 | E425-L428 VanDerWaalsContact O-CB 3.31Å; E425-L428 WeakPolarHBondContact O-CB 3.35Å; E425-L428 PolarHBondContact O-N 2.84Å; N426-L428 VanDerWaalsContact C-N 3.34Å; L428-S430 PolarHBondContact O-N 3.45Å; L428-S431 WeakPolarHBondContact O-CB 3.2Å; L428-S431 PolarHBondContact O-N 2.78Å; L428-I432 WeakPolarHBondContact O-CG1 3.46Å; L428-I432 PolarHBondContact O-N 2.87Å |
| 429 | S | 63.2 | Low | 68 | Low | 72 Ų | 72 | 117.5 Ų | 117.5 | 50% | 0.503 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -60.2 | -44.8 | 172.3 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | S431 I432 I433 | S429-S431 VanDerWaalsContact C-N 3.32Å; S429-S431 PolarHBondContact O-N 2.93Å; S429-I432 PolarHBondContact O-N 3.44Å; S429-I433 WeakPolarHBondContact O-CD1 3.43Å; S429-I433 VanDerWaalsContact O-CG1 3.27Å; S429-I433 WeakPolarHBondContact O-CG1 3.41Å; S429-I433 PolarHBondContact O-N 2.94Å |
| 430 | S | 67.9 | Low | 70.3 | Confident | 54 Ų | 54 | 116.7 Ų | 116.7 | 38% | 0.378 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -59.6 | -39.8 | 173.9 | -175.9 | 0 | 0 | 0 | 0 | 112.8 | N426 L428 N434 | N426-S430 PolarHBondContact O-N 3.33Å; N426-S430 VanDerWaalsContact O-N 3.1Å; L428-S430 PolarHBondContact O-N 3.45Å; S430-N434 WeakPolarHBondContact O-CB 3.22Å; S430-N434 PolarHBondContact O-N 2.81Å; S430-N434 PolarHBondContact O-ND2 3.13Å |
| 431 | S | 75.3 | Confident | 72.6 | Confident | 74 Ų | 74 | 113.8 Ų | 113.8 | 52% | 0.517 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.8 | -43.9 | 177.4 | -174.4 | 0 | 0 | 0 | 0 | 112.1 | N427 L428 S429 I433 N434 F435 | N427-S431 WeakPolarHBondContact O-CB 3.35Å; N427-S431 PolarHBondContact O-N 2.93Å; L428-S431 WeakPolarHBondContact O-CB 3.2Å; L428-S431 PolarHBondContact O-N 2.78Å; S429-S431 VanDerWaalsContact C-N 3.32Å; S429-S431 PolarHBondContact O-N 2.93Å; S431-I433 PolarHBondContact O-N 3.33Å; S431-N434 PolarHBondContact O-N 2.85Å; S431-F435 WeakPolarHBondContact O-CB 3.16Å; S431-F435 PolarHBondContact O-N 3.42Å |
| 432 | I | 81.4 | Confident | 74.9 | Confident | 105 Ų | 105 | 110.2 Ų | 110.2 | 54% | 0.538 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.3 | -44 | 175.9 | -67.8 | 164 | 0 | 0 | 0 | 110.9 | L428 S429 F435 Q436 | L428-I432 WeakPolarHBondContact O-CG1 3.46Å; L428-I432 PolarHBondContact O-N 2.87Å; S429-I432 PolarHBondContact O-N 3.44Å; I432-F435 PolarHBondContact O-N 2.92Å; I432-Q436 PolarHBondContact O-N 3.5Å |
| 433 | I | 82 | Confident | 77 | Confident | 109 Ų | 109 | 103.5 Ų | 103.5 | 56% | 0.559 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.1 | -43.1 | 175.7 | -67.9 | 164.9 | 0 | 0 | 0 | 110.7 | S429 S431 F435 Q436 A437 | S429-I433 WeakPolarHBondContact O-CD1 3.43Å; S429-I433 VanDerWaalsContact O-CG1 3.27Å; S429-I433 WeakPolarHBondContact O-CG1 3.41Å; S429-I433 PolarHBondContact O-N 2.94Å; S431-I433 PolarHBondContact O-N 3.33Å; I433-F435 VanDerWaalsContact C-N 3.33Å; I433-F435 PolarHBondContact O-N 3.47Å; I433-Q436 PolarHBondContact O-N 2.87Å; I433-A437 WeakPolarHBondContact O-CB 3.36Å; I433-A437 PolarHBondContact O-N 3.42Å |
| 434 | N | 84.4 | Confident | 78.8 | Confident | 83 Ų | 83 | 102.6 Ų | 102.6 | 44% | 0.444 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.6 | -37.5 | 173.9 | -90.5 | -84.6 | 0 | 0 | 0 | 112.6 | S430 S431 A437 R438 | S430-N434 WeakPolarHBondContact O-CB 3.22Å; S430-N434 PolarHBondContact O-N 2.81Å; S430-N434 PolarHBondContact O-ND2 3.13Å; S431-N434 PolarHBondContact O-N 2.85Å; N434-A437 PolarHBondContact O-N 3.35Å; N434-R438 WeakPolarHBondContact O-CB 3.42Å; N434-R438 VanDerWaalsContact O-CG 3.29Å; N434-R438 WeakPolarHBondContact O-CG 3.39Å; N434-R438 PolarHBondContact O-N 3.47Å |
| 435 | F | 85 | Confident | 80.6 | Confident | 155 Ų | 155 | 103.5 Ų | 103.5 | 68% | 0.68 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.4 | -42.5 | 177.3 | -167 | -88.9 | 0 | 0 | 0 | 111.5 | S431 I432 I433 R438 K439 | S431-F435 WeakPolarHBondContact O-CB 3.16Å; S431-F435 PolarHBondContact O-N 3.42Å; I432-F435 PolarHBondContact O-N 2.92Å; I433-F435 VanDerWaalsContact C-N 3.33Å; I433-F435 PolarHBondContact O-N 3.47Å; F435-R438 PolarHBondContact O-N 3.04Å; F435-K439 WeakPolarHBondContact O-CB 3.36Å; F435-K439 PolarHBondContact O-N 2.94Å |
| 436 | Q | 89.3 | Confident | 82.5 | Confident | 130 Ų | 130 | 98.7 Ų | 98.7 | 61% | 0.607 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.8 | -45.3 | 171.4 | -80.8 | -175 | -20.1 | 0 | 0 | 112.1 | I432 I433 R438 K439 V440 | I432-Q436 PolarHBondContact O-N 3.5Å; I433-Q436 PolarHBondContact O-N 2.87Å; Q436-R438 PolarHBondContact O-N 3.33Å; Q436-K439 PolarHBondContact O-N 2.76Å; Q436-K439 VanDerWaalsContact O-N 3.17Å; Q436-V440 WeakPolarHBondContact O-CG2 3.38Å; Q436-V440 PolarHBondContact O-N 2.97Å |
| 437 | A | 85.2 | Confident | 84.3 | Confident | 46 Ų | 46 | 98.1 Ų | 98.1 | 38% | 0.38 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I433 N434 V440 L441 | I433-A437 WeakPolarHBondContact O-CB 3.36Å; I433-A437 PolarHBondContact O-N 3.42Å; N434-A437 PolarHBondContact O-N 3.35Å; A437-V440 PolarHBondContact O-N 2.82Å; A437-L441 WeakPolarHBondContact O-CB 3.47Å; A437-L441 WeakPolarHBondContact O-CG 3.49Å; A437-L441 PolarHBondContact O-N 3.11Å |
| 438 | R | 88 | Confident | 86.1 | Confident | 176 Ų | 176 | 96.5 Ų | 96.5 | 66% | 0.664 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.2 | -40.8 | 173.2 | -75.4 | 178.2 | -178.1 | -159.4 | 1.6 | 112.4 | N434 F435 Q436 L441 M442 | N434-R438 WeakPolarHBondContact O-CB 3.42Å; N434-R438 VanDerWaalsContact O-CG 3.29Å; N434-R438 WeakPolarHBondContact O-CG 3.39Å; N434-R438 PolarHBondContact O-N 3.47Å; F435-R438 PolarHBondContact O-N 3.04Å; Q436-R438 PolarHBondContact O-N 3.33Å; R438-L441 PolarHBondContact O-N 3.16Å; R438-M442 WeakPolarHBondContact O-CG 3.31Å; R438-M442 PolarHBondContact O-N 2.86Å |
| 439 | K | 94.3 | Very high | 87.7 | Confident | 128 Ų | 128 | 95.9 Ų | 95.9 | 56% | 0.557 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.5 | -48.5 | 174.7 | -174.8 | -177.2 | 173.4 | -175.2 | 0 | 111.2 | F435 Q436 L441 M442 D443 | F435-K439 WeakPolarHBondContact O-CB 3.36Å; F435-K439 PolarHBondContact O-N 2.94Å; Q436-K439 PolarHBondContact O-N 2.76Å; Q436-K439 VanDerWaalsContact O-N 3.17Å; K439-L441 VanDerWaalsContact C-N 3.31Å; K439-L441 PolarHBondContact O-N 2.85Å; K439-M442 PolarHBondContact O-N 3.36Å; K439-M442 VanDerWaalsContact O-N 3.15Å; K439-D443 PolarHBondContact O-N 3.41Å |
| 440 | V | 94.6 | Very high | 89.3 | Confident | 88 Ų | 88 | 96.6 Ų | 96.6 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.3 | -39.3 | 177.9 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | Q436 A437 D443 C444 | Q436-V440 WeakPolarHBondContact O-CG2 3.38Å; Q436-V440 PolarHBondContact O-N 2.97Å; A437-V440 PolarHBondContact O-N 2.82Å; V440-D443 PolarHBondContact O-N 2.9Å; V440-C444 WeakPolarHBondContact O-CB 3.36Å; V440-C444 PolarHBondContact O-N 2.93Å; V440-C444 PolarHBondContact O-SG 3.22Å |
| 441 | L | 93.7 | Very high | 90.7 | Very high | 120 Ų | 120 | 99 Ų | 99 | 63% | 0.628 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.9 | -44.2 | 173.2 | -76.5 | 166.2 | 0 | 0 | 0 | 112.4 | A437 R438 K439 C444 Q445 | A437-L441 WeakPolarHBondContact O-CB 3.47Å; A437-L441 WeakPolarHBondContact O-CG 3.49Å; A437-L441 PolarHBondContact O-N 3.11Å; R438-L441 PolarHBondContact O-N 3.16Å; K439-L441 VanDerWaalsContact C-N 3.31Å; K439-L441 PolarHBondContact O-N 2.85Å; L441-C444 PolarHBondContact O-N 3.45Å; L441-Q445 WeakPolarHBondContact O-CB 3.39Å; L441-Q445 PolarHBondContact O-N 3.23Å |
| 442 | M | 94.3 | Very high | 91.7 | Very high | 114 Ų | 114 | 101.1 Ų | 101.1 | 56% | 0.562 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.6 | -42.5 | 175.1 | -69 | -62.2 | -58.1 | 0 | 0 | 112.2 | R438 K439 C444 Q445 A446 | R438-M442 WeakPolarHBondContact O-CG 3.31Å; R438-M442 PolarHBondContact O-N 2.86Å; K439-M442 PolarHBondContact O-N 3.36Å; K439-M442 VanDerWaalsContact O-N 3.15Å; M442-C444 VanDerWaalsContact C-N 3.3Å; M442-C444 PolarHBondContact O-N 2.68Å; M442-Q445 PolarHBondContact O-N 3.4Å; M442-A446 WeakPolarHBondContact O-CB 3.26Å; M442-A446 PolarHBondContact O-N 3.26Å |
| 443 | D | 95.3 | Very high | 92.4 | Very high | 72 Ų | 72 | 103 Ų | 103 | 39% | 0.385 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.7 | -34.9 | 176.8 | -70.1 | -24.8 | 0 | 0 | 0 | 111.4 | K439 V440 K447 | K439-D443 PolarHBondContact O-N 3.41Å; V440-D443 PolarHBondContact O-N 2.9Å; D443-K447 WeakPolarHBondContact O-CD 3.5Å; D443-K447 VanDerWaalsContact O-CG 3.27Å; D443-K447 WeakPolarHBondContact O-CG 3.47Å; D443-K447 PolarHBondContact O-N 3.45Å |
| 444 | C | 91.8 | Very high | 93.2 | Very high | 70 Ų | 70 | 103 Ų | 103 | 47% | 0.473 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.8 | -41.6 | 173 | -75.7 | 0 | 0 | 0 | 0 | 112.5 | V440 L441 M442 K447 A448 | V440-C444 WeakPolarHBondContact O-CB 3.36Å; V440-C444 PolarHBondContact O-N 2.93Å; V440-C444 PolarHBondContact O-SG 3.22Å; L441-C444 PolarHBondContact O-N 3.45Å; M442-C444 VanDerWaalsContact C-N 3.3Å; M442-C444 PolarHBondContact O-N 2.68Å; C444-K447 PolarHBondContact O-N 3.19Å; C444-A448 PolarHBondContact O-N 3.39Å |
| 445 | Q | 94.5 | Very high | 93.7 | Very high | 102 Ų | 102 | 104.2 Ų | 104.2 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 174.4 | -179.1 | -179.2 | -27 | 0 | 0 | 110.9 | L441 M442 K447 A448 E449 | L441-Q445 WeakPolarHBondContact O-CB 3.39Å; L441-Q445 PolarHBondContact O-N 3.23Å; M442-Q445 PolarHBondContact O-N 3.4Å; Q445-K447 VanDerWaalsContact C-N 3.29Å; Q445-K447 PolarHBondContact O-N 2.89Å; Q445-A448 WeakPolarHBondContact O-CB 3.49Å; Q445-A448 PolarHBondContact O-N 3.42Å; Q445-A448 VanDerWaalsContact O-N 3.1Å; Q445-E449 HydrophobicContact CG-CG 4.46Å; Q445-E449 WeakPolarHBondContact CG-OE1 3.42Å; Q445-E449 PolarHBondContact NE2-OE1 2.85Å; Q445-E449 PolarHBondContact O-N 3.04Å |
| 446 | A | 95.6 | Very high | 94.2 | Very high | 55 Ų | 55 | 100.2 Ų | 100.2 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.3 | -40.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M442 E450 | M442-A446 WeakPolarHBondContact O-CB 3.26Å; M442-A446 PolarHBondContact O-N 3.26Å; A446-E450 WeakPolarHBondContact O-CB 3.44Å; A446-E450 PolarHBondContact O-N 2.86Å |
| 447 | K | 96.4 | Very high | 94.5 | Very high | 128 Ų | 128 | 99.4 Ų | 99.4 | 56% | 0.557 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.8 | -39.8 | 174.2 | -71.8 | 167.1 | -173.8 | 172.4 | 0 | 112.7 | D443 C444 Q445 E450 L451 | D443-K447 WeakPolarHBondContact O-CD 3.5Å; D443-K447 VanDerWaalsContact O-CG 3.27Å; D443-K447 WeakPolarHBondContact O-CG 3.47Å; D443-K447 PolarHBondContact O-N 3.45Å; C444-K447 PolarHBondContact O-N 3.19Å; Q445-K447 VanDerWaalsContact C-N 3.29Å; Q445-K447 PolarHBondContact O-N 2.89Å; K447-E450 PolarHBondContact O-N 3.45Å; K447-L451 WeakPolarHBondContact O-CG 3.35Å; K447-L451 PolarHBondContact O-N 2.92Å |
| 448 | A | 95.1 | Very high | 95.1 | Very high | 47 Ų | 47 | 103.6 Ų | 103.6 | 39% | 0.388 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | C444 Q445 E450 L451 L452 | C444-A448 PolarHBondContact O-N 3.39Å; Q445-A448 WeakPolarHBondContact O-CB 3.49Å; Q445-A448 PolarHBondContact O-N 3.42Å; Q445-A448 VanDerWaalsContact O-N 3.1Å; A448-E450 VanDerWaalsContact C-N 3.34Å; A448-E450 PolarHBondContact O-N 3.18Å; A448-L451 PolarHBondContact O-N 2.82Å; A448-L452 WeakPolarHBondContact O-CG 3.23Å; A448-L452 PolarHBondContact O-N 3.45Å |
| 449 | E | 95.1 | Very high | 95.4 | Very high | 85 Ų | 85 | 101.6 Ų | 101.6 | 40% | 0.397 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.9 | -36.5 | 173.7 | -71.9 | -179.4 | -154.1 | 0 | 0 | 112.6 | Q445 R453 | Q445-E449 HydrophobicContact CG-CG 4.46Å; Q445-E449 WeakPolarHBondContact CG-OE1 3.42Å; Q445-E449 PolarHBondContact NE2-OE1 2.85Å; Q445-E449 PolarHBondContact O-N 3.04Å; E449-R453 VanDerWaalsContact O-CB 3.23Å; E449-R453 WeakPolarHBondContact O-CB 3.17Å; E449-R453 PolarHBondContact O-N 2.8Å |
| 450 | E | 96.6 | Very high | 95.4 | Very high | 87 Ų | 87 | 98.7 Ų | 98.7 | 41% | 0.407 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.5 | -43.8 | 174.5 | -162.9 | -157.6 | 148.2 | 0 | 0 | 111.9 | A446 K447 A448 R453 K454 | A446-E450 WeakPolarHBondContact O-CB 3.44Å; A446-E450 PolarHBondContact O-N 2.86Å; K447-E450 PolarHBondContact O-N 3.45Å; A448-E450 VanDerWaalsContact C-N 3.34Å; A448-E450 PolarHBondContact O-N 3.18Å; E450-R453 PolarHBondContact O-N 2.77Å; E450-K454 WeakPolarHBondContact O-CG 3.22Å; E450-K454 PolarHBondContact O-N 2.89Å; E450-K454 WeakPolarHBondContact OE1-CE 3.45Å; E450-K454 IonicContact OE1-NZ 3.21Å; E450-K454 PolarHBondContact OE1-NZ 2.8Å |
| 451 | L | 96.9 | Very high | 95.3 | Very high | 105 Ų | 105 | 96.9 Ų | 96.9 | 55% | 0.55 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 176.2 | -72.9 | 169.6 | 0 | 0 | 0 | 111.9 | K447 A448 R453 K454 L455 | K447-L451 WeakPolarHBondContact O-CG 3.35Å; K447-L451 PolarHBondContact O-N 2.92Å; A448-L451 PolarHBondContact O-N 2.82Å; L451-R453 VanDerWaalsContact C-N 3.32Å; L451-R453 PolarHBondContact O-N 2.88Å; L451-K454 PolarHBondContact O-N 2.8Å; L451-L455 WeakPolarHBondContact O-CG 3.39Å; L451-L455 PolarHBondContact O-N 3.08Å |
| 452 | L | 96.1 | Very high | 95.3 | Very high | 118 Ų | 118 | 95.9 Ų | 95.9 | 62% | 0.618 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.1 | -41 | 173.7 | -72.4 | 169.6 | 0 | 0 | 0 | 111.8 | A448 L455 S456 | A448-L452 WeakPolarHBondContact O-CG 3.23Å; A448-L452 PolarHBondContact O-N 3.45Å; L452-L455 PolarHBondContact O-N 3.35Å; L452-S456 VanDerWaalsContact O-CB 3.28Å; L452-S456 WeakPolarHBondContact O-CB 3.35Å; L452-S456 PolarHBondContact O-N 2.86Å |
| 453 | R | 97.1 | Very high | 95.3 | Very high | 144 Ų | 144 | 93.3 Ų | 93.3 | 54% | 0.543 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 176.5 | -168.5 | 179.5 | -61 | 116.8 | 6.1 | 112.1 | E449 E450 L451 L457 | E449-R453 VanDerWaalsContact O-CB 3.23Å; E449-R453 WeakPolarHBondContact O-CB 3.17Å; E449-R453 PolarHBondContact O-N 2.8Å; E450-R453 PolarHBondContact O-N 2.77Å; L451-R453 VanDerWaalsContact C-N 3.32Å; L451-R453 PolarHBondContact O-N 2.88Å; R453-L457 WeakPolarHBondContact O-CB 3.37Å; R453-L457 PolarHBondContact O-N 3.42Å |
| 454 | K | 97.3 | Very high | 95.1 | Very high | 111 Ų | 111 | 92.7 Ų | 92.7 | 48% | 0.483 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.6 | -52.5 | 173.6 | -79.6 | 167.8 | 165.2 | 169.2 | 0 | 111.8 | E450 L451 S456 L457 E458 | E450-K454 WeakPolarHBondContact O-CG 3.22Å; E450-K454 PolarHBondContact O-N 2.89Å; E450-K454 WeakPolarHBondContact OE1-CE 3.45Å; E450-K454 IonicContact OE1-NZ 3.21Å; E450-K454 PolarHBondContact OE1-NZ 2.8Å; L451-K454 PolarHBondContact O-N 2.8Å; K454-S456 VanDerWaalsContact C-N 3.31Å; K454-S456 PolarHBondContact O-N 3.5Å; K454-L457 WeakPolarHBondContact O-CB 3.41Å; K454-L457 PolarHBondContact O-N 3.15Å; K454-E458 WeakPolarHBondContact O-CB 3.33Å; K454-E458 PolarHBondContact O-N 3.02Å |
| 455 | L | 96.4 | Very high | 95.2 | Very high | 108 Ų | 108 | 94.8 Ų | 94.8 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.8 | -39.8 | 178.4 | -70.7 | 170 | 0 | 0 | 0 | 112.3 | L451 L452 E458 Q459 | L451-L455 WeakPolarHBondContact O-CG 3.39Å; L451-L455 PolarHBondContact O-N 3.08Å; L452-L455 PolarHBondContact O-N 3.35Å; L455-E458 PolarHBondContact O-N 3.35Å; L455-Q459 VanDerWaalsContact O-CB 3.3Å; L455-Q459 WeakPolarHBondContact O-CB 3.49Å; L455-Q459 PolarHBondContact O-N 3.35Å |
| 456 | S | 95.1 | Very high | 95.3 | Very high | 70 Ų | 70 | 93.2 Ų | 93.2 | 49% | 0.49 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69 | -37.5 | 177.1 | -173.4 | 0 | 0 | 0 | 0 | 112.5 | L452 K454 S460 | L452-S456 VanDerWaalsContact O-CB 3.28Å; L452-S456 WeakPolarHBondContact O-CB 3.35Å; L452-S456 PolarHBondContact O-N 2.86Å; K454-S456 VanDerWaalsContact C-N 3.31Å; K454-S456 PolarHBondContact O-N 3.5Å; S456-S460 WeakPolarHBondContact O-CB 3.43Å; S456-S460 PolarHBondContact O-N 2.93Å; S456-S460 PolarHBondContact O-OG 2.89Å |
| 457 | L | 96.1 | Very high | 95.3 | Very high | 113 Ų | 113 | 94.9 Ų | 94.9 | 59% | 0.592 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62 | -48.7 | 170.4 | -98.5 | 162.8 | 0 | 0 | 0 | 111.4 | R453 K454 S460 S461 | R453-L457 WeakPolarHBondContact O-CB 3.37Å; R453-L457 PolarHBondContact O-N 3.42Å; K454-L457 WeakPolarHBondContact O-CB 3.41Å; K454-L457 PolarHBondContact O-N 3.15Å; L457-S460 PolarHBondContact O-N 3.01Å; L457-S460 PolarHBondContact O-OG 3.1Å; L457-S461 PolarHBondContact O-N 3.41Å |
| 458 | E | 96.2 | Very high | 95.1 | Very high | 134 Ų | 134 | 95.5 Ų | 95.5 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.9 | -47.3 | -179 | -170.3 | 158.8 | -143.5 | 0 | 0 | 111.5 | K454 L455 S460 S461 Q462 | K454-E458 WeakPolarHBondContact O-CB 3.33Å; K454-E458 PolarHBondContact O-N 3.02Å; L455-E458 PolarHBondContact O-N 3.35Å; E458-S460 PolarHBondContact O-N 2.82Å; E458-S461 PolarHBondContact O-N 3.06Å; E458-S461 VanDerWaalsContact O-N 3.1Å; E458-S461 PolarHBondContact O-OG 2.9Å; E458-Q462 PolarHBondContact O-N 3.29Å |
| 459 | Q | 96.1 | Very high | 95.1 | Very high | 135 Ų | 135 | 98.7 Ų | 98.7 | 63% | 0.631 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -56.2 | -46.7 | 171.4 | -174.1 | -176.6 | 20.7 | 0 | 0 | 112 | L455 S461 Q462 S463 | L455-Q459 VanDerWaalsContact O-CB 3.3Å; L455-Q459 WeakPolarHBondContact O-CB 3.49Å; L455-Q459 PolarHBondContact O-N 3.35Å; Q459-S461 VanDerWaalsContact C-N 3.26Å; Q459-S461 PolarHBondContact O-N 2.98Å; Q459-Q462 PolarHBondContact O-N 3.43Å; Q459-S463 PolarHBondContact O-N 3Å; Q459-S463 PolarHBondContact O-OG 3.02Å |
| 460 | S | 94 | Very high | 95.1 | Very high | 66 Ų | 66 | 99.1 Ų | 99.1 | 46% | 0.462 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.2 | -33.2 | 177.9 | 76.9 | 0 | 0 | 0 | 0 | 112.3 | S456 L457 E458 S464 | S456-S460 WeakPolarHBondContact O-CB 3.43Å; S456-S460 PolarHBondContact O-N 2.93Å; S456-S460 PolarHBondContact O-OG 2.89Å; L457-S460 PolarHBondContact O-N 3.01Å; L457-S460 PolarHBondContact O-OG 3.1Å; E458-S460 PolarHBondContact O-N 2.82Å; S460-S464 WeakPolarHBondContact O-CB 3.43Å; S460-S464 PolarHBondContact O-N 2.82Å |
| 461 | S | 92 | Very high | 95.1 | Very high | 50 Ų | 50 | 99.3 Ų | 99.3 | 35% | 0.35 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.3 | -42.3 | 177.8 | 79.5 | 0 | 0 | 0 | 0 | 111.6 | L457 E458 Q459 S464 Q465 | L457-S461 PolarHBondContact O-N 3.41Å; E458-S461 PolarHBondContact O-N 3.06Å; E458-S461 VanDerWaalsContact O-N 3.1Å; E458-S461 PolarHBondContact O-OG 2.9Å; Q459-S461 VanDerWaalsContact C-N 3.26Å; Q459-S461 PolarHBondContact O-N 2.98Å; S461-S464 PolarHBondContact O-N 3.22Å; S461-S464 PolarHBondContact O-OG 3.23Å; S461-Q465 WeakPolarHBondContact O-CG 3.5Å; S461-Q465 PolarHBondContact O-N 2.95Å |
| 462 | Q | 93.8 | Very high | 95 | Very high | 99 Ų | 99 | 97.1 Ų | 97.1 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.6 | -54.7 | 173 | -172.7 | 62.7 | 60.2 | 0 | 0 | 110.6 | E458 Q459 S464 Q465 D466 | E458-Q462 PolarHBondContact O-N 3.29Å; Q459-Q462 PolarHBondContact O-N 3.43Å; Q462-S464 PolarHBondContact O-N 2.9Å; Q462-S464 VanDerWaalsContact O-N 3.12Å; Q462-Q465 WeakPolarHBondContact O-CA 3.38Å; Q462-Q465 WeakPolarHBondContact O-CB 3.48Å; Q462-Q465 PolarHBondContact O-N 3.3Å; Q462-D466 PolarHBondContact NE2-OD1 2.87Å; Q462-D466 PolarHBondContact O-N 2.75Å |
| 463 | S | 94.6 | Very high | 95 | Very high | 60 Ų | 60 | 95.4 Ų | 95.4 | 42% | 0.42 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.7 | -28.9 | 178 | -59.4 | 0 | 0 | 0 | 0 | 113.2 | Q459 V467 | Q459-S463 PolarHBondContact O-N 3Å; Q459-S463 PolarHBondContact O-OG 3.02Å; S463-V467 WeakPolarHBondContact O-CB 3.32Å; S463-V467 VanDerWaalsContact O-CG2 3.25Å; S463-V467 WeakPolarHBondContact O-CG2 3.32Å; S463-V467 PolarHBondContact O-N 2.97Å |
| 464 | S | 90.6 | Very high | 94.9 | Very high | 60 Ų | 60 | 94.6 Ų | 94.6 | 42% | 0.42 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -73.6 | -30.2 | 173.6 | 80.7 | 0 | 0 | 0 | 0 | 113.6 | S460 S461 Q462 Q468 | S460-S464 WeakPolarHBondContact O-CB 3.43Å; S460-S464 PolarHBondContact O-N 2.82Å; S461-S464 PolarHBondContact O-N 3.22Å; S461-S464 PolarHBondContact O-OG 3.23Å; Q462-S464 PolarHBondContact O-N 2.9Å; Q462-S464 VanDerWaalsContact O-N 3.12Å; S464-Q468 WeakPolarHBondContact O-CG 3.37Å; S464-Q468 PolarHBondContact O-N 3.42Å |
| 465 | Q | 94.1 | Very high | 94.8 | Very high | 114 Ų | 114 | 97.4 Ų | 97.4 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -73.8 | -46.1 | 172.8 | -69.5 | 178.3 | 12.7 | 0 | 0 | 110.8 | S461 Q462 V467 Q468 E469 | S461-Q465 WeakPolarHBondContact O-CG 3.5Å; S461-Q465 PolarHBondContact O-N 2.95Å; Q462-Q465 WeakPolarHBondContact O-CA 3.38Å; Q462-Q465 WeakPolarHBondContact O-CB 3.48Å; Q462-Q465 PolarHBondContact O-N 3.3Å; Q465-V467 VanDerWaalsContact C-N 3.3Å; Q465-V467 PolarHBondContact O-N 3.14Å; Q465-Q468 WeakPolarHBondContact O-CB 3.42Å; Q465-Q468 PolarHBondContact O-N 3.24Å; Q465-E469 PolarHBondContact O-N 3.12Å |
| 466 | D | 95.6 | Very high | 94.8 | Very high | 68 Ų | 68 | 97.9 Ų | 97.9 | 36% | 0.364 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -54.7 | -47.1 | 177.2 | -52.7 | -24.2 | 0 | 0 | 0 | 110.7 | Q462 Q468 E469 D470 | Q462-D466 PolarHBondContact NE2-OD1 2.87Å; Q462-D466 PolarHBondContact O-N 2.75Å; D466-Q468 PolarHBondContact O-N 3.06Å; D466-E469 PolarHBondContact O-N 3.41Å; D466-D470 PolarHBondContact O-N 3.31Å |
| 467 | V | 95.3 | Very high | 94.8 | Very high | 90 Ų | 90 | 103.5 Ų | 103.5 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.7 | -34.6 | 176.4 | 168.4 | 0 | 0 | 0 | 0 | 112.7 | S463 Q465 L471 | S463-V467 WeakPolarHBondContact O-CB 3.32Å; S463-V467 VanDerWaalsContact O-CG2 3.25Å; S463-V467 WeakPolarHBondContact O-CG2 3.32Å; S463-V467 PolarHBondContact O-N 2.97Å; Q465-V467 VanDerWaalsContact C-N 3.3Å; Q465-V467 PolarHBondContact O-N 3.14Å; V467-L471 HydrophobicContact CG1-CD1 4.2Å; V467-L471 WeakPolarHBondContact O-CB 3.47Å; V467-L471 WeakPolarHBondContact O-CG 3.35Å; V467-L471 PolarHBondContact O-N 3.37Å |
| 468 | Q | 93.1 | Very high | 94.7 | Very high | 141 Ų | 141 | 103 Ų | 103 | 66% | 0.659 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -70.2 | -38.4 | 173.4 | -78.2 | -172.7 | 21.1 | 0 | 0 | 112.2 | S464 Q465 D466 L471 A472 | S464-Q468 WeakPolarHBondContact O-CG 3.37Å; S464-Q468 PolarHBondContact O-N 3.42Å; Q465-Q468 WeakPolarHBondContact O-CB 3.42Å; Q465-Q468 PolarHBondContact O-N 3.24Å; D466-Q468 PolarHBondContact O-N 3.06Å; Q468-L471 PolarHBondContact O-N 2.85Å; Q468-A472 WeakPolarHBondContact O-CB 3.5Å; Q468-A472 PolarHBondContact O-N 3.46Å |
| 469 | E | 95.5 | Very high | 94.6 | Very high | 115 Ų | 115 | 102.2 Ų | 102.2 | 54% | 0.537 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.6 | -41.3 | 177.7 | -153.6 | -165.6 | 108.2 | 0 | 0 | 111 | Q465 D466 A472 K473 | Q465-E469 PolarHBondContact O-N 3.12Å; D466-E469 PolarHBondContact O-N 3.41Å; E469-A472 WeakPolarHBondContact O-CB 3.32Å; E469-A472 PolarHBondContact O-N 3.22Å; E469-K473 WeakPolarHBondContact O-CG 3.29Å; E469-K473 PolarHBondContact O-N 3.3Å; E469-K473 WeakPolarHBondContact OE1-CE 3.34Å; E469-K473 IonicContact OE1-NZ 3.47Å; E469-K473 PolarHBondContact OE1-NZ 2.95Å |
| 470 | D | 94.5 | Very high | 94.6 | Very high | 93 Ų | 93 | 101.6 Ų | 101.6 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.4 | -39 | 176.2 | -78.8 | -4.3 | 0 | 0 | 0 | 112.7 | D466 A472 K473 E474 | D466-D470 PolarHBondContact O-N 3.31Å; D470-A472 VanDerWaalsContact C-N 3.27Å; D470-A472 PolarHBondContact O-N 3.03Å; D470-K473 PolarHBondContact O-N 2.86Å; D470-K473 WeakPolarHBondContact OD1-CD 3.46Å; D470-K473 IonicContact OD1-NZ 2.78Å; D470-K473 PolarHBondContact OD1-NZ 2.87Å; D470-E474 WeakPolarHBondContact O-CB 3.36Å; D470-E474 PolarHBondContact O-N 3.02Å |
| 471 | L | 96.6 | Very high | 94.7 | Very high | 92 Ų | 92 | 99.7 Ų | 99.7 | 48% | 0.482 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.4 | -35.6 | 168.8 | -85.2 | 164.7 | 0 | 0 | 0 | 112.4 | V467 Q468 R475 | V467-L471 HydrophobicContact CG1-CD1 4.2Å; V467-L471 WeakPolarHBondContact O-CB 3.47Å; V467-L471 WeakPolarHBondContact O-CG 3.35Å; V467-L471 PolarHBondContact O-N 3.37Å; Q468-L471 PolarHBondContact O-N 2.85Å; L471-R475 WeakPolarHBondContact O-CB 3.35Å; L471-R475 WeakPolarHBondContact O-CG 3.36Å; L471-R475 PolarHBondContact O-N 2.83Å |
| 472 | A | 95.2 | Very high | 94.9 | Very high | 59 Ų | 59 | 102.5 Ų | 102.5 | 49% | 0.488 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.7 | -42.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q468 E469 D470 R475 H476 | Q468-A472 WeakPolarHBondContact O-CB 3.5Å; Q468-A472 PolarHBondContact O-N 3.46Å; E469-A472 WeakPolarHBondContact O-CB 3.32Å; E469-A472 PolarHBondContact O-N 3.22Å; D470-A472 VanDerWaalsContact C-N 3.27Å; D470-A472 PolarHBondContact O-N 3.03Å; A472-R475 PolarHBondContact O-N 3.42Å; A472-H476 WeakPolarHBondContact O-CB 3.46Å; A472-H476 PolarHBondContact O-N 3.36Å |
| 473 | K | 95.7 | Very high | 94.8 | Very high | 81 Ų | 81 | 100.5 Ų | 100.5 | 35% | 0.352 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 173.3 | -67.6 | 164.6 | -158 | 154.7 | 0 | 111.6 | E469 D470 H476 R477 | E469-K473 WeakPolarHBondContact O-CG 3.29Å; E469-K473 PolarHBondContact O-N 3.3Å; E469-K473 WeakPolarHBondContact OE1-CE 3.34Å; E469-K473 IonicContact OE1-NZ 3.47Å; E469-K473 PolarHBondContact OE1-NZ 2.95Å; D470-K473 PolarHBondContact O-N 2.86Å; D470-K473 WeakPolarHBondContact OD1-CD 3.46Å; D470-K473 IonicContact OD1-NZ 2.78Å; D470-K473 PolarHBondContact OD1-NZ 2.87Å; K473-H476 PolarHBondContact O-N 3.36Å; K473-R477 WeakPolarHBondContact O-CG 3.25Å; K473-R477 PolarHBondContact O-N 2.91Å |
| 474 | E | 96.1 | Very high | 94.8 | Very high | 128 Ų | 128 | 103.3 Ų | 103.3 | 60% | 0.598 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.2 | -48.2 | 177.8 | -175.2 | 175.1 | -140.3 | 0 | 0 | 111.1 | D470 H476 R477 E478 | D470-E474 WeakPolarHBondContact O-CB 3.36Å; D470-E474 PolarHBondContact O-N 3.02Å; E474-H476 VanDerWaalsContact C-N 3.28Å; E474-H476 PolarHBondContact O-N 3.47Å; E474-R477 PolarHBondContact O-N 2.89Å; E474-E478 WeakPolarHBondContact O-CB 3.39Å; E474-E478 PolarHBondContact O-N 3.13Å |
| 475 | R | 95.4 | Very high | 95 | Very high | 169 Ų | 169 | 107.2 Ų | 107.2 | 64% | 0.638 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -57.1 | -39.8 | 174.3 | -75.2 | -104.6 | -70.3 | -89.1 | -7.5 | 112.6 | L471 A472 Q479 | L471-R475 WeakPolarHBondContact O-CB 3.35Å; L471-R475 WeakPolarHBondContact O-CG 3.36Å; L471-R475 PolarHBondContact O-N 2.83Å; A472-R475 PolarHBondContact O-N 3.42Å; R475-Q479 WeakPolarHBondContact O-CG 3.26Å; R475-Q479 PolarHBondContact O-N 3.01Å |
| 476 | H | 95.1 | Very high | 95.1 | Very high | 119 Ų | 119 | 107.2 Ų | 107.2 | 55% | 0.551 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.8 | -46.1 | 176.1 | -175.7 | 60.7 | 0 | 0 | 0 | 112 | A472 K473 E474 E478 Q479 Q480 | A472-H476 WeakPolarHBondContact O-CB 3.46Å; A472-H476 PolarHBondContact O-N 3.36Å; K473-H476 PolarHBondContact O-N 3.36Å; E474-H476 VanDerWaalsContact C-N 3.28Å; E474-H476 PolarHBondContact O-N 3.47Å; H476-E478 VanDerWaalsContact C-N 3.32Å; H476-E478 PolarHBondContact O-N 3.18Å; H476-Q479 PolarHBondContact O-N 3.12Å; H476-Q480 WeakPolarHBondContact O-CB 3.23Å; H476-Q480 PolarHBondContact O-N 3.06Å |
| 477 | R | 95 | Very high | 95.1 | Very high | 187 Ų | 187 | 106.2 Ų | 106.2 | 71% | 0.706 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.9 | -40.3 | 174.4 | -73.1 | 173.4 | 176.6 | 177.4 | 0.4 | 112.1 | K473 E474 Q480 G481 | K473-R477 WeakPolarHBondContact O-CG 3.25Å; K473-R477 PolarHBondContact O-N 2.91Å; E474-R477 PolarHBondContact O-N 2.89Å; R477-Q480 PolarHBondContact O-N 3.29Å; R477-G481 PolarHBondContact O-N 2.95Å |
| 478 | E | 95.2 | Very high | 95.1 | Very high | 102 Ų | 102 | 105.4 Ų | 105.4 | 48% | 0.477 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 178.4 | -159.8 | -138.8 | -170.6 | 0 | 0 | 111.6 | E474 H476 G481 K482 | E474-E478 WeakPolarHBondContact O-CB 3.39Å; E474-E478 PolarHBondContact O-N 3.13Å; H476-E478 VanDerWaalsContact C-N 3.32Å; H476-E478 PolarHBondContact O-N 3.18Å; E478-G481 PolarHBondContact O-N 2.7Å; E478-K482 VanDerWaalsContact CD-CE 3.4Å; E478-K482 WeakPolarHBondContact O-CB 3.45Å; E478-K482 VanDerWaalsContact O-CG 3.28Å; E478-K482 WeakPolarHBondContact O-CG 3.41Å; E478-K482 PolarHBondContact O-N 2.76Å; E478-K482 WeakPolarHBondContact OE1-CE 3.41Å; E478-K482 IonicContact OE1-NZ 3.99Å; E478-K482 PolarHBondContact OE1-NZ 3Å; E478-K482 IonicContact OE2-NZ 3.75Å; E478-K482 PolarHBondContact OE2-NZ 2.92Å |
| 479 | Q | 94.1 | Very high | 95.1 | Very high | 119 Ų | 119 | 104.7 Ų | 104.7 | 56% | 0.556 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.2 | -44 | 172.7 | -74.8 | 177.9 | -8.2 | 0 | 0 | 112.1 | R475 H476 K482 A483 | R475-Q479 WeakPolarHBondContact O-CG 3.26Å; R475-Q479 PolarHBondContact O-N 3.01Å; H476-Q479 PolarHBondContact O-N 3.12Å; Q479-K482 PolarHBondContact O-N 3.27Å; Q479-A483 PolarHBondContact O-N 3.33Å |
| 480 | Q | 95.4 | Very high | 95 | Very high | 121 Ų | 121 | 105.3 Ų | 105.3 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.1 | -43.2 | 177.9 | -166.6 | 175.3 | 23.6 | 0 | 0 | 111.4 | H476 R477 K482 A483 Q484 | H476-Q480 WeakPolarHBondContact O-CB 3.23Å; H476-Q480 PolarHBondContact O-N 3.06Å; R477-Q480 PolarHBondContact O-N 3.29Å; Q480-K482 PolarHBondContact O-N 3.49Å; Q480-A483 PolarHBondContact O-N 3.49Å; Q480-Q484 WeakPolarHBondContact O-CB 3.13Å; Q480-Q484 PolarHBondContact O-N 3.08Å |
| 481 | G | 95.5 | Very high | 95 | Very high | 26 Ų | 26 | 106.8 Ų | 106.8 | 27% | 0.268 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.9 | -31.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114 | R477 E478 K485 | R477-G481 PolarHBondContact O-N 2.95Å; E478-G481 PolarHBondContact O-N 2.7Å; G481-K485 VanDerWaalsContact O-CG 3.27Å; G481-K485 WeakPolarHBondContact O-CG 3.45Å; G481-K485 PolarHBondContact O-N 3.03Å; G481-K485 VanDerWaalsContact O-N 3.14Å |
| 482 | K | 96.4 | Very high | 95 | Very high | 109 Ų | 109 | 109.2 Ų | 109.2 | 47% | 0.474 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67 | -51.2 | 170.7 | -76.5 | 166.5 | -179.8 | 171.4 | 0 | 111.1 | E478 Q479 Q480 Q484 K485 E486 | E478-K482 VanDerWaalsContact CD-CE 3.4Å; E478-K482 WeakPolarHBondContact O-CB 3.45Å; E478-K482 VanDerWaalsContact O-CG 3.28Å; E478-K482 WeakPolarHBondContact O-CG 3.41Å; E478-K482 PolarHBondContact O-N 2.76Å; E478-K482 WeakPolarHBondContact OE1-CE 3.41Å; E478-K482 IonicContact OE1-NZ 3.99Å; E478-K482 PolarHBondContact OE1-NZ 3Å; E478-K482 IonicContact OE2-NZ 3.75Å; E478-K482 PolarHBondContact OE2-NZ 2.92Å; Q479-K482 PolarHBondContact O-N 3.27Å; Q480-K482 PolarHBondContact O-N 3.49Å; K482-Q484 VanDerWaalsContact C-N 3.29Å; K482-Q484 PolarHBondContact O-N 3.17Å; K482-K485 PolarHBondContact O-N 2.99Å; K482-E486 WeakPolarHBondContact O-CB 3.38Å; K482-E486 PolarHBondContact O-N 3.47Å |
| 483 | A | 93.2 | Very high | 95 | Very high | 57 Ų | 57 | 110.5 Ų | 110.5 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.9 | -37.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q479 Q480 A487 | Q479-A483 PolarHBondContact O-N 3.33Å; Q480-A483 PolarHBondContact O-N 3.49Å; A483-A487 WeakPolarHBondContact O-CB 3.24Å; A483-A487 PolarHBondContact O-N 2.83Å |
| 484 | Q | 93.8 | Very high | 95.1 | Very high | 120 Ų | 120 | 113.6 Ų | 113.6 | 56% | 0.561 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.2 | -48.5 | 174.1 | -177.1 | 175.1 | -15.8 | 0 | 0 | 112 | Q480 K482 E486 A487 E488 | Q480-Q484 WeakPolarHBondContact O-CB 3.13Å; Q480-Q484 PolarHBondContact O-N 3.08Å; K482-Q484 VanDerWaalsContact C-N 3.29Å; K482-Q484 PolarHBondContact O-N 3.17Å; Q484-E486 VanDerWaalsContact C-N 3.3Å; Q484-E486 PolarHBondContact O-N 2.95Å; Q484-A487 PolarHBondContact O-N 3.07Å; Q484-E488 WeakPolarHBondContact O-CG 3.45Å; Q484-E488 PolarHBondContact O-N 3.31Å |
| 485 | K | 95.4 | Very high | 94.9 | Very high | 142 Ų | 142 | 115.5 Ų | 115.5 | 62% | 0.617 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.8 | -39.2 | 177.4 | -74.1 | 170.4 | -178.9 | 178.4 | 0 | 112.2 | G481 K482 E488 Q489 | G481-K485 VanDerWaalsContact O-CG 3.27Å; G481-K485 WeakPolarHBondContact O-CG 3.45Å; G481-K485 PolarHBondContact O-N 3.03Å; G481-K485 VanDerWaalsContact O-N 3.14Å; K482-K485 PolarHBondContact O-N 2.99Å; K485-E488 PolarHBondContact O-N 3.15Å; K485-Q489 WeakPolarHBondContact O-CG 3.47Å; K485-Q489 PolarHBondContact O-N 3.09Å |
| 486 | E | 95.6 | Very high | 94.9 | Very high | 113 Ų | 113 | 116.6 Ų | 116.6 | 53% | 0.528 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.5 | -46.3 | 174.1 | -175.9 | 173.1 | -174.5 | 0 | 0 | 111.4 | K482 Q484 E488 Q489 F490 | K482-E486 WeakPolarHBondContact O-CB 3.38Å; K482-E486 PolarHBondContact O-N 3.47Å; Q484-E486 VanDerWaalsContact C-N 3.3Å; Q484-E486 PolarHBondContact O-N 2.95Å; E486-E488 VanDerWaalsContact C-N 3.34Å; E486-E488 PolarHBondContact O-N 3.42Å; E486-Q489 WeakPolarHBondContact O-CB 3.38Å; E486-Q489 PolarHBondContact O-N 2.86Å; E486-F490 HydrophobicContact CG-CD2 3.91Å; E486-F490 HydrophobicContact CG-CE2 3.86Å; E486-F490 WeakPolarHBondContact O-CD2 3.48Å; E486-F490 PolarHBondContact O-N 3.14Å |
| 487 | A | 94.3 | Very high | 94.9 | Very high | 47 Ų | 47 | 114.7 Ų | 114.7 | 39% | 0.388 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.2 | -40.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A483 Q484 Q489 F490 Q491 | A483-A487 WeakPolarHBondContact O-CB 3.24Å; A483-A487 PolarHBondContact O-N 2.83Å; Q484-A487 PolarHBondContact O-N 3.07Å; A487-Q489 VanDerWaalsContact C-N 3.34Å; A487-F490 PolarHBondContact O-N 3.41Å; A487-Q491 WeakPolarHBondContact O-CG 3.3Å; A487-Q491 PolarHBondContact O-N 2.91Å |
| 488 | E | 95.8 | Very high | 94.9 | Very high | 73 Ų | 73 | 110.3 Ų | 110.3 | 34% | 0.341 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.2 | -31.8 | 173.3 | -66.7 | 172.3 | -159 | 0 | 0 | 112.9 | Q484 K485 E486 R492 | Q484-E488 WeakPolarHBondContact O-CG 3.45Å; Q484-E488 PolarHBondContact O-N 3.31Å; K485-E488 PolarHBondContact O-N 3.15Å; E486-E488 VanDerWaalsContact C-N 3.34Å; E486-E488 PolarHBondContact O-N 3.42Å; E488-R492 WeakPolarHBondContact O-CB 3.43Å; E488-R492 WeakPolarHBondContact O-CG 3.38Å; E488-R492 PolarHBondContact O-N 2.92Å; E488-R492 PolarHBondContact O-NE 3.48Å; E488-R492 IonicContact OE2-CZ 3.27Å; E488-R492 IonicContact OE2-NH2 3.82Å; E488-R492 PolarHBondContact OE2-NH2 2.87Å |
| 489 | Q | 94.2 | Very high | 94.9 | Very high | 127 Ų | 127 | 109 Ų | 109 | 59% | 0.593 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.2 | -46.8 | 171.6 | -76.2 | -175.3 | 2.6 | 0 | 0 | 110.4 | K485 E486 A487 Q491 R492 V493 | K485-Q489 WeakPolarHBondContact O-CG 3.47Å; K485-Q489 PolarHBondContact O-N 3.09Å; E486-Q489 WeakPolarHBondContact O-CB 3.38Å; E486-Q489 PolarHBondContact O-N 2.86Å; A487-Q489 VanDerWaalsContact C-N 3.34Å; Q489-Q491 VanDerWaalsContact C-N 3.29Å; Q489-Q491 PolarHBondContact O-N 3.48Å; Q489-R492 PolarHBondContact O-N 3.36Å; Q489-R492 VanDerWaalsContact O-N 3.14Å; Q489-V493 WeakPolarHBondContact O-CG2 3.48Å; Q489-V493 PolarHBondContact O-N 3.2Å |
| 490 | F | 93 | Very high | 94.9 | Very high | 128 Ų | 128 | 105.2 Ų | 105.2 | 56% | 0.561 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60 | -34.8 | 174.7 | -88.1 | -73.6 | 0 | 0 | 0 | 113.4 | E486 A487 R494 | E486-F490 HydrophobicContact CG-CD2 3.91Å; E486-F490 HydrophobicContact CG-CE2 3.86Å; E486-F490 WeakPolarHBondContact O-CD2 3.48Å; E486-F490 PolarHBondContact O-N 3.14Å; A487-F490 PolarHBondContact O-N 3.41Å; F490-R494 WeakPolarHBondContact O-CB 3.46Å; F490-R494 PolarHBondContact O-N 2.88Å |
| 491 | Q | 95.2 | Very high | 94.9 | Very high | 123 Ų | 123 | 103.8 Ų | 103.8 | 58% | 0.575 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68.4 | -45.8 | 172 | -73.2 | -179.1 | 26.3 | 0 | 0 | 112 | A487 Q489 V493 R494 W495 | A487-Q491 WeakPolarHBondContact O-CG 3.3Å; A487-Q491 PolarHBondContact O-N 2.91Å; Q489-Q491 VanDerWaalsContact C-N 3.29Å; Q489-Q491 PolarHBondContact O-N 3.48Å; Q491-V493 VanDerWaalsContact C-N 3.33Å; Q491-V493 PolarHBondContact O-N 3.43Å; Q491-R494 PolarHBondContact O-N 3.34Å; Q491-W495 PolarHBondContact O-N 2.93Å |
| 492 | R | 95.6 | Very high | 95 | Very high | 143 Ų | 143 | 106.2 Ų | 106.2 | 54% | 0.54 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62 | -37.9 | 176.2 | -79 | 176.7 | -84.3 | -145.6 | -4 | 112.8 | E488 Q489 R496 | E488-R492 WeakPolarHBondContact O-CB 3.43Å; E488-R492 WeakPolarHBondContact O-CG 3.38Å; E488-R492 PolarHBondContact O-N 2.92Å; E488-R492 PolarHBondContact O-NE 3.48Å; E488-R492 IonicContact OE2-CZ 3.27Å; E488-R492 IonicContact OE2-NH2 3.82Å; E488-R492 PolarHBondContact OE2-NH2 2.87Å; Q489-R492 PolarHBondContact O-N 3.36Å; Q489-R492 VanDerWaalsContact O-N 3.14Å; R492-R496 WeakPolarHBondContact O-CG 3.28Å; R492-R496 PolarHBondContact O-N 2.89Å; R492-R496 VanDerWaalsContact O-N 3.16Å |
| 493 | V | 95.7 | Very high | 95 | Very high | 87 Ų | 87 | 107.7 Ų | 107.7 | 53% | 0.527 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.4 | -48.5 | 174.1 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | Q489 Q491 W495 R496 T497 | Q489-V493 WeakPolarHBondContact O-CG2 3.48Å; Q489-V493 PolarHBondContact O-N 3.2Å; Q491-V493 VanDerWaalsContact C-N 3.33Å; Q491-V493 PolarHBondContact O-N 3.43Å; V493-W495 PolarHBondContact O-N 3.18Å; V493-R496 PolarHBondContact O-N 2.88Å; V493-T497 PolarHBondContact O-N 2.93Å; V493-T497 PolarHBondContact O-OG1 3.07Å |
| 494 | R | 96.8 | Very high | 95.1 | Very high | 145 Ų | 145 | 111.4 Ų | 111.4 | 55% | 0.547 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -55.8 | -50.3 | 176.2 | -97.2 | -166.6 | -69.9 | 164 | -4.2 | 112.4 | F490 Q491 R496 T497 E498 | F490-R494 WeakPolarHBondContact O-CB 3.46Å; F490-R494 PolarHBondContact O-N 2.88Å; Q491-R494 PolarHBondContact O-N 3.34Å; R494-R496 VanDerWaalsContact C-N 3.32Å; R494-R496 PolarHBondContact O-N 2.65Å; R494-T497 WeakPolarHBondContact CA-OG1 3.45Å; R494-T497 PolarHBondContact O-N 2.97Å; R494-T497 PolarHBondContact O-OG1 3.46Å; R494-E498 WeakPolarHBondContact O-CB 3.39Å; R494-E498 VanDerWaalsContact O-CG 3.32Å; R494-E498 WeakPolarHBondContact O-CG 3.41Å; R494-E498 PolarHBondContact O-N 2.85Å |
| 495 | W | 93.1 | Very high | 95.2 | Very high | 168 Ų | 168 | 110.9 Ų | 110.9 | 64% | 0.636 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -56.9 | -44.4 | 178.5 | -176.3 | -98.1 | 0 | 0 | 0 | 112.1 | Q491 V493 T497 E498 E499 | Q491-W495 PolarHBondContact O-N 2.93Å; V493-W495 PolarHBondContact O-N 3.18Å; W495-T497 PolarHBondContact O-N 3.24Å; W495-E498 PolarHBondContact O-N 3.3Å; W495-E499 WeakPolarHBondContact O-CB 3.43Å; W495-E499 PolarHBondContact O-N 2.87Å |
| 496 | R | 94.8 | Very high | 95.3 | Very high | 193 Ų | 193 | 108.1 Ų | 108.1 | 73% | 0.728 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64 | -37.8 | 175 | -75.2 | -175.6 | 177.4 | -162.8 | 0.3 | 112.9 | R492 V493 R494 A500 | R492-R496 WeakPolarHBondContact O-CG 3.28Å; R492-R496 PolarHBondContact O-N 2.89Å; R492-R496 VanDerWaalsContact O-N 3.16Å; V493-R496 PolarHBondContact O-N 2.88Å; R494-R496 VanDerWaalsContact C-N 3.32Å; R494-R496 PolarHBondContact O-N 2.65Å; R496-A500 WeakPolarHBondContact O-CB 3.4Å; R496-A500 PolarHBondContact O-N 2.91Å |
| 497 | T | 94.9 | Very high | 95.4 | Very high | 79 Ų | 79 | 107.8 Ų | 107.8 | 49% | 0.485 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.9 | -35.8 | 175.9 | 50.3 | 0 | 0 | 0 | 0 | 112.9 | V493 R494 W495 A500 E501 | V493-T497 PolarHBondContact O-N 2.93Å; V493-T497 PolarHBondContact O-OG1 3.07Å; R494-T497 WeakPolarHBondContact CA-OG1 3.45Å; R494-T497 PolarHBondContact O-N 2.97Å; R494-T497 PolarHBondContact O-OG1 3.46Å; W495-T497 PolarHBondContact O-N 3.24Å; T497-A500 PolarHBondContact O-N 3.46Å; T497-E501 PolarHBondContact O-N 3.22Å |
| 498 | E | 94.8 | Very high | 95.5 | Very high | 94 Ų | 94 | 114.2 Ų | 114.2 | 44% | 0.439 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.5 | -47 | 175.4 | -72 | 161.3 | -161.5 | 0 | 0 | 110.2 | R494 W495 A500 E501 E502 | R494-E498 WeakPolarHBondContact O-CB 3.39Å; R494-E498 VanDerWaalsContact O-CG 3.32Å; R494-E498 WeakPolarHBondContact O-CG 3.41Å; R494-E498 PolarHBondContact O-N 2.85Å; W495-E498 PolarHBondContact O-N 3.3Å; E498-A500 VanDerWaalsContact C-N 3.35Å; E498-A500 PolarHBondContact O-N 2.9Å; E498-E501 PolarHBondContact O-N 2.96Å; E498-E501 VanDerWaalsContact O-N 3.13Å; E498-E502 WeakPolarHBondContact O-CB 3.17Å; E498-E502 PolarHBondContact O-N 2.98Å |
| 499 | E | 95.9 | Very high | 95.6 | Very high | 74 Ų | 74 | 116.8 Ų | 116.8 | 35% | 0.346 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.3 | -40.4 | 174.2 | -163.3 | -163 | 141.7 | 0 | 0 | 112.1 | W495 E501 E502 R503 | W495-E499 WeakPolarHBondContact O-CB 3.43Å; W495-E499 PolarHBondContact O-N 2.87Å; E499-E501 VanDerWaalsContact C-N 3.33Å; E499-E502 PolarHBondContact O-N 3.23Å; E499-R503 WeakPolarHBondContact O-CB 3.45Å; E499-R503 VanDerWaalsContact O-CG 3.3Å; E499-R503 WeakPolarHBondContact O-CG 3.49Å; E499-R503 PolarHBondContact O-N 3.03Å; E499-R503 IonicContact OE1-CZ 3Å; E499-R503 IonicContact OE1-NE 2.69Å; E499-R503 PolarHBondContact OE1-NE 3.37Å; E499-R503 IonicContact OE1-NH2 2.68Å; E499-R503 PolarHBondContact OE1-NH2 2.85Å |
| 500 | A | 94.3 | Very high | 95.8 | Very high | 40 Ų | 40 | 118.3 Ų | 118.3 | 33% | 0.331 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72.8 | -21.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R496 T497 E498 R504 | R496-A500 WeakPolarHBondContact O-CB 3.4Å; R496-A500 PolarHBondContact O-N 2.91Å; T497-A500 PolarHBondContact O-N 3.46Å; E498-A500 VanDerWaalsContact C-N 3.35Å; E498-A500 PolarHBondContact O-N 2.9Å; A500-R504 WeakPolarHBondContact O-CG 3.28Å; A500-R504 PolarHBondContact O-NE 3.42Å; A500-R504 PolarHBondContact O-NH2 3Å |
| 501 | E | 95.7 | Very high | 96.1 | Very high | 91 Ų | 91 | 116.6 Ų | 116.6 | 43% | 0.425 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -76.9 | -44.8 | 166.9 | -152.4 | -150.1 | 141 | 0 | 0 | 110.5 | T497 E498 E499 R503 R504 R505 | T497-E501 PolarHBondContact O-N 3.22Å; E498-E501 PolarHBondContact O-N 2.96Å; E498-E501 VanDerWaalsContact O-N 3.13Å; E499-E501 VanDerWaalsContact C-N 3.33Å; E501-R503 PolarHBondContact O-N 3.33Å; E501-R504 CarbonylContact O-C 3.6Å; E501-R504 WeakPolarHBondContact O-CA 3.22Å; E501-R504 PolarHBondContact O-N 2.99Å; E501-R505 WeakPolarHBondContact O-CG 3.41Å; E501-R505 PolarHBondContact O-N 3.1Å; E501-R505 IonicContact OE1-CZ 3.73Å; E501-R505 IonicContact OE1-NE 2.69Å; E501-R505 PolarHBondContact OE1-NE 3.44Å; E501-R505 IonicContact OE1-NH2 3.88Å; E501-R505 PolarHBondContact OE1-NH2 3.39Å; E501-R505 IonicContact OE2-CZ 3.89Å; E501-R505 IonicContact OE2-NE 2.8Å; E501-R505 IonicContact OE2-NH2 3.19Å; E501-R505 PolarHBondContact OE2-NH2 3.11Å |
| 502 | E | 96.4 | Very high | 96.2 | Very high | 77 Ų | 77 | 116.2 Ų | 116.2 | 36% | 0.36 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.5 | -42 | -178.8 | -164.4 | 59.2 | -153.4 | 0 | 0 | 112 | E498 E499 R504 R505 Q506 | E498-E502 WeakPolarHBondContact O-CB 3.17Å; E498-E502 PolarHBondContact O-N 2.98Å; E499-E502 PolarHBondContact O-N 3.23Å; E502-R504 PolarHBondContact O-N 3.03Å; E502-R505 WeakPolarHBondContact O-CB 3.31Å; E502-R505 PolarHBondContact O-N 2.93Å; E502-R505 WeakPolarHBondContact OE2-CD 3.24Å; E502-R505 IonicContact OE2-CZ 2.68Å; E502-R505 IonicContact OE2-NE 3.76Å; E502-R505 IonicContact OE2-NH1 3.16Å; E502-R505 PolarHBondContact OE2-NH1 2.97Å; E502-Q506 WeakPolarHBondContact O-CG 3.45Å; E502-Q506 PolarHBondContact O-N 2.88Å |
| 503 | R | 95.9 | Very high | 96.3 | Very high | 141 Ų | 141 | 112.2 Ų | 112.2 | 53% | 0.532 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -56 | -47.3 | 169.1 | -73.3 | 169.3 | -179.8 | -105.7 | 5.2 | 111.7 | E499 E501 R505 Q506 E507 | E499-R503 WeakPolarHBondContact O-CB 3.45Å; E499-R503 VanDerWaalsContact O-CG 3.3Å; E499-R503 WeakPolarHBondContact O-CG 3.49Å; E499-R503 PolarHBondContact O-N 3.03Å; E499-R503 IonicContact OE1-CZ 3Å; E499-R503 IonicContact OE1-NE 2.69Å; E499-R503 PolarHBondContact OE1-NE 3.37Å; E499-R503 IonicContact OE1-NH2 2.68Å; E499-R503 PolarHBondContact OE1-NH2 2.85Å; E501-R503 PolarHBondContact O-N 3.33Å; R503-R505 VanDerWaalsContact C-N 3.32Å; R503-R505 PolarHBondContact O-N 2.89Å; R503-Q506 PolarHBondContact O-N 3.48Å; R503-E507 VanDerWaalsContact O-CG 3.3Å; R503-E507 WeakPolarHBondContact O-CG 3.44Å; R503-E507 PolarHBondContact O-N 3.08Å |
| 504 | R | 96.1 | Very high | 96.4 | Very high | 135 Ų | 135 | 113.8 Ų | 113.8 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.4 | -25.1 | 177.4 | -75.9 | -179.8 | -68.4 | 178.2 | 0.5 | 113.7 | A500 E501 E502 E507 R508 | A500-R504 WeakPolarHBondContact O-CG 3.28Å; A500-R504 PolarHBondContact O-NE 3.42Å; A500-R504 PolarHBondContact O-NH2 3Å; E501-R504 CarbonylContact O-C 3.6Å; E501-R504 WeakPolarHBondContact O-CA 3.22Å; E501-R504 PolarHBondContact O-N 2.99Å; E502-R504 PolarHBondContact O-N 3.03Å; R504-E507 WeakPolarHBondContact CA-OE2 3.49Å; R504-E507 WeakPolarHBondContact CG-OE2 3.34Å; R504-R508 WeakPolarHBondContact O-CD 3.4Å; R504-R508 WeakPolarHBondContact O-CG 3.48Å; R504-R508 PolarHBondContact O-N 2.97Å |
| 505 | R | 96.7 | Very high | 96.5 | Very high | 108 Ų | 108 | 110.8 Ų | 110.8 | 41% | 0.408 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71.5 | -45.1 | 169.2 | -68 | 170.5 | -174.5 | 169 | -2.8 | 110.8 | E501 E502 R503 R508 Q509 | E501-R505 WeakPolarHBondContact O-CG 3.41Å; E501-R505 PolarHBondContact O-N 3.1Å; E501-R505 IonicContact OE1-CZ 3.73Å; E501-R505 IonicContact OE1-NE 2.69Å; E501-R505 PolarHBondContact OE1-NE 3.44Å; E501-R505 IonicContact OE1-NH2 3.88Å; E501-R505 PolarHBondContact OE1-NH2 3.39Å; E501-R505 IonicContact OE2-CZ 3.89Å; E501-R505 IonicContact OE2-NE 2.8Å; E501-R505 IonicContact OE2-NH2 3.19Å; E501-R505 PolarHBondContact OE2-NH2 3.11Å; E502-R505 WeakPolarHBondContact O-CB 3.31Å; E502-R505 PolarHBondContact O-N 2.93Å; E502-R505 WeakPolarHBondContact OE2-CD 3.24Å; E502-R505 IonicContact OE2-CZ 2.68Å; E502-R505 IonicContact OE2-NE 3.76Å; E502-R505 IonicContact OE2-NH1 3.16Å; E502-R505 PolarHBondContact OE2-NH1 2.97Å; R503-R505 VanDerWaalsContact C-N 3.32Å; R503-R505 PolarHBondContact O-N 2.89Å; R505-R508 PolarHBondContact O-N 2.85Å; R505-Q509 WeakPolarHBondContact O-CG 3.23Å; R505-Q509 PolarHBondContact O-N 3.35Å |
| 506 | Q | 97.1 | Very high | 96.7 | Very high | 84 Ų | 84 | 105 Ų | 105 | 39% | 0.393 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 176.8 | -68.7 | 173.3 | 20.8 | 0 | 0 | 112 | E502 R503 Q509 R510 | E502-Q506 WeakPolarHBondContact O-CG 3.45Å; E502-Q506 PolarHBondContact O-N 2.88Å; R503-Q506 PolarHBondContact O-N 3.48Å; Q506-Q509 PolarHBondContact O-N 3.09Å; Q506-R510 WeakPolarHBondContact O-CG 3.38Å; Q506-R510 PolarHBondContact O-N 2.85Å |
| 507 | E | 97.4 | Very high | 96.8 | Very high | 107 Ų | 107 | 100.3 Ų | 100.3 | 50% | 0.5 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.1 | -47.6 | 173.1 | -73.3 | 158.7 | -170.2 | 0 | 0 | 111.5 | R503 R504 Q509 R510 V511 | R503-E507 VanDerWaalsContact O-CG 3.3Å; R503-E507 WeakPolarHBondContact O-CG 3.44Å; R503-E507 PolarHBondContact O-N 3.08Å; R504-E507 WeakPolarHBondContact CA-OE2 3.49Å; R504-E507 WeakPolarHBondContact CG-OE2 3.34Å; E507-Q509 VanDerWaalsContact C-N 3.33Å; E507-Q509 PolarHBondContact O-N 3.2Å; E507-R510 PolarHBondContact O-N 2.77Å; E507-V511 WeakPolarHBondContact O-CG2 3.34Å; E507-V511 PolarHBondContact O-N 2.98Å |
| 508 | R | 97.1 | Very high | 97 | Very high | 181 Ų | 181 | 102.6 Ų | 102.6 | 68% | 0.683 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.1 | -40.1 | 175.1 | -70.2 | 166.5 | -166.6 | -142.2 | 1.6 | 112.3 | R504 R505 L512 | R504-R508 WeakPolarHBondContact O-CD 3.4Å; R504-R508 WeakPolarHBondContact O-CG 3.48Å; R504-R508 PolarHBondContact O-N 2.97Å; R505-R508 PolarHBondContact O-N 2.85Å; R508-L512 WeakPolarHBondContact O-CB 3.33Å; R508-L512 VanDerWaalsContact O-CG 3.26Å; R508-L512 WeakPolarHBondContact O-CG 3.3Å; R508-L512 PolarHBondContact O-N 3.17Å |
| 509 | Q | 97.8 | Very high | 97.1 | Very high | 128 Ų | 128 | 104.3 Ų | 104.3 | 60% | 0.598 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.1 | -39.6 | 175.9 | -73 | 175.2 | 7.8 | 0 | 0 | 112 | R505 Q506 E507 L512 A513 | R505-Q509 WeakPolarHBondContact O-CG 3.23Å; R505-Q509 PolarHBondContact O-N 3.35Å; Q506-Q509 PolarHBondContact O-N 3.09Å; E507-Q509 VanDerWaalsContact C-N 3.33Å; E507-Q509 PolarHBondContact O-N 3.2Å; Q509-L512 PolarHBondContact O-N 2.92Å; Q509-A513 WeakPolarHBondContact O-CB 3.44Å; Q509-A513 PolarHBondContact O-N 2.98Å |
| 510 | R | 98.1 | Very high | 97.2 | Very high | 159 Ų | 159 | 104.9 Ų | 104.9 | 60% | 0.6 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.6 | -50.4 | 174.3 | -70.7 | 175.3 | -170.6 | -171.8 | 4.1 | 111.6 | Q506 E507 L512 A513 E514 | Q506-R510 WeakPolarHBondContact O-CG 3.38Å; Q506-R510 PolarHBondContact O-N 2.85Å; E507-R510 PolarHBondContact O-N 2.77Å; R510-L512 VanDerWaalsContact C-N 3.27Å; R510-L512 PolarHBondContact O-N 2.7Å; R510-A513 CarbonylContact O-C 3.57Å; R510-A513 WeakPolarHBondContact O-CA 3.49Å; R510-A513 WeakPolarHBondContact O-CB 3.34Å; R510-A513 PolarHBondContact O-N 3.41Å; R510-E514 WeakPolarHBondContact O-CB 3.38Å; R510-E514 WeakPolarHBondContact O-CG 3.48Å; R510-E514 PolarHBondContact O-N 3.33Å |
| 511 | V | 98.1 | Very high | 97.3 | Very high | 91 Ų | 91 | 110 Ų | 110 | 55% | 0.552 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59 | -38.1 | 177.6 | 172.5 | 0 | 0 | 0 | 0 | 111.8 | E507 L515 | E507-V511 WeakPolarHBondContact O-CG2 3.34Å; E507-V511 PolarHBondContact O-N 2.98Å; V511-L515 VanDerWaalsContact O-CB 3.31Å; V511-L515 WeakPolarHBondContact O-CB 3.45Å; V511-L515 PolarHBondContact O-N 2.89Å |
| 512 | L | 98 | Very high | 97.3 | Very high | 115 Ų | 115 | 112 Ų | 112 | 60% | 0.602 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.3 | -37 | 174.3 | -73 | 170.3 | 0 | 0 | 0 | 112.9 | R508 Q509 R510 A516 | R508-L512 WeakPolarHBondContact O-CB 3.33Å; R508-L512 VanDerWaalsContact O-CG 3.26Å; R508-L512 WeakPolarHBondContact O-CG 3.3Å; R508-L512 PolarHBondContact O-N 3.17Å; Q509-L512 PolarHBondContact O-N 2.92Å; R510-L512 VanDerWaalsContact C-N 3.27Å; R510-L512 PolarHBondContact O-N 2.7Å; L512-A516 WeakPolarHBondContact O-CB 3.4Å; L512-A516 PolarHBondContact O-N 3.02Å |
| 513 | A | 97.9 | Very high | 97.4 | Very high | 59 Ų | 59 | 110.6 Ų | 110.6 | 49% | 0.488 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.5 | -42.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q509 R510 A516 E517 | Q509-A513 WeakPolarHBondContact O-CB 3.44Å; Q509-A513 PolarHBondContact O-N 2.98Å; R510-A513 CarbonylContact O-C 3.57Å; R510-A513 WeakPolarHBondContact O-CA 3.49Å; R510-A513 WeakPolarHBondContact O-CB 3.34Å; R510-A513 PolarHBondContact O-N 3.41Å; A513-A516 WeakPolarHBondContact O-CB 3.35Å; A513-A516 PolarHBondContact O-N 3.45Å; A513-E517 PolarHBondContact O-N 3.49Å |
| 514 | E | 97.8 | Very high | 97.4 | Very high | 121 Ų | 121 | 111.9 Ų | 111.9 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.1 | -44 | 174.3 | -72.3 | 164 | -160.4 | 0 | 0 | 111.3 | R510 A516 E517 Q518 | R510-E514 WeakPolarHBondContact O-CB 3.38Å; R510-E514 WeakPolarHBondContact O-CG 3.48Å; R510-E514 PolarHBondContact O-N 3.33Å; E514-A516 VanDerWaalsContact C-N 3.34Å; E514-A516 PolarHBondContact O-N 3.19Å; E514-E517 PolarHBondContact O-N 3.22Å; E514-Q518 WeakPolarHBondContact O-CB 3.25Å; E514-Q518 PolarHBondContact O-N 2.98Å |
| 515 | L | 98.3 | Very high | 97.4 | Very high | 81 Ų | 81 | 109 Ų | 109 | 42% | 0.424 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.7 | -39 | 174.2 | -172 | 76.2 | 0 | 0 | 0 | 112.2 | V511 K519 | V511-L515 VanDerWaalsContact O-CB 3.31Å; V511-L515 WeakPolarHBondContact O-CB 3.45Å; V511-L515 PolarHBondContact O-N 2.89Å; L515-K519 WeakPolarHBondContact O-CG 3.38Å; L515-K519 PolarHBondContact O-N 3.48Å; L515-K519 VanDerWaalsContact O-N 3.12Å |
| 516 | A | 97.5 | Very high | 97.4 | Very high | 48 Ų | 48 | 109.8 Ų | 109.8 | 40% | 0.397 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.8 | -43 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L512 A513 E514 K519 I520 | L512-A516 WeakPolarHBondContact O-CB 3.4Å; L512-A516 PolarHBondContact O-N 3.02Å; A513-A516 WeakPolarHBondContact O-CB 3.35Å; A513-A516 PolarHBondContact O-N 3.45Å; E514-A516 VanDerWaalsContact C-N 3.34Å; E514-A516 PolarHBondContact O-N 3.19Å; A516-K519 PolarHBondContact O-N 3.34Å; A516-I520 WeakPolarHBondContact O-CG1 3.31Å; A516-I520 PolarHBondContact O-N 2.94Å |
| 517 | E | 97.4 | Very high | 97.3 | Very high | 93 Ų | 93 | 111.5 Ų | 111.5 | 44% | 0.435 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.8 | -38.9 | 176.8 | -147.5 | -151 | 141 | 0 | 0 | 111.8 | A513 E514 K519 I520 R521 | A513-E517 PolarHBondContact O-N 3.49Å; E514-E517 PolarHBondContact O-N 3.22Å; E517-K519 VanDerWaalsContact C-N 3.32Å; E517-K519 PolarHBondContact O-N 2.99Å; E517-I520 PolarHBondContact O-N 2.81Å; E517-R521 VanDerWaalsContact CD-NH2 3.25Å; E517-R521 WeakPolarHBondContact O-CG 3.43Å; E517-R521 PolarHBondContact O-N 3.34Å; E517-R521 IonicContact OE1-CZ 3.67Å; E517-R521 IonicContact OE1-NE 2.8Å; E517-R521 PolarHBondContact OE1-NE 3.26Å; E517-R521 IonicContact OE1-NH2 3.75Å; E517-R521 PolarHBondContact OE1-NH2 3.43Å; E517-R521 IonicContact OE2-CZ 3.63Å; E517-R521 IonicContact OE2-NH2 2.88Å; E517-R521 PolarHBondContact OE2-NH2 3.2Å |
| 518 | Q | 97.7 | Very high | 97.1 | Very high | 127 Ų | 127 | 111.4 Ų | 111.4 | 59% | 0.593 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59 | -42.5 | 173.9 | -171.3 | -178.3 | 13.5 | 0 | 0 | 111.4 | E514 R521 Q522 | E514-Q518 WeakPolarHBondContact O-CB 3.25Å; E514-Q518 PolarHBondContact O-N 2.98Å; Q518-R521 PolarHBondContact O-N 3.39Å; Q518-Q522 WeakPolarHBondContact O-CB 3.32Å; Q518-Q522 PolarHBondContact O-N 2.91Å |
| 519 | K | 97.9 | Very high | 97 | Very high | 130 Ų | 130 | 109.3 Ų | 109.3 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64 | -41 | 174.2 | -74 | 177.5 | 179.4 | -176.1 | 0 | 112.4 | L515 A516 E517 Q522 A523 | L515-K519 WeakPolarHBondContact O-CG 3.38Å; L515-K519 PolarHBondContact O-N 3.48Å; L515-K519 VanDerWaalsContact O-N 3.12Å; A516-K519 PolarHBondContact O-N 3.34Å; E517-K519 VanDerWaalsContact C-N 3.32Å; E517-K519 PolarHBondContact O-N 2.99Å; K519-Q522 PolarHBondContact O-N 3.01Å; K519-A523 WeakPolarHBondContact O-CB 3.31Å; K519-A523 PolarHBondContact O-N 3.42Å |
| 520 | I | 97.2 | Very high | 96.9 | Very high | 86 Ų | 86 | 105.4 Ų | 105.4 | 44% | 0.441 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 175.1 | -67.8 | 164.5 | 0 | 0 | 0 | 110.8 | A516 E517 A523 R524 | A516-I520 WeakPolarHBondContact O-CG1 3.31Å; A516-I520 PolarHBondContact O-N 2.94Å; E517-I520 PolarHBondContact O-N 2.81Å; I520-A523 PolarHBondContact O-N 2.96Å; I520-R524 WeakPolarHBondContact O-CG 3.43Å; I520-R524 PolarHBondContact O-N 3.45Å; I520-R524 VanDerWaalsContact O-N 3.08Å |
| 521 | R | 96.9 | Very high | 96.7 | Very high | 147 Ų | 147 | 100.8 Ų | 100.8 | 56% | 0.555 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.2 | -43.4 | 174.8 | -69.4 | 175.2 | -174.9 | -165.8 | 9.5 | 111.3 | E517 Q518 R524 C525 | E517-R521 VanDerWaalsContact CD-NH2 3.25Å; E517-R521 WeakPolarHBondContact O-CG 3.43Å; E517-R521 PolarHBondContact O-N 3.34Å; E517-R521 IonicContact OE1-CZ 3.67Å; E517-R521 IonicContact OE1-NE 2.8Å; E517-R521 PolarHBondContact OE1-NE 3.26Å; E517-R521 IonicContact OE1-NH2 3.75Å; E517-R521 PolarHBondContact OE1-NH2 3.43Å; E517-R521 IonicContact OE2-CZ 3.63Å; E517-R521 IonicContact OE2-NH2 2.88Å; E517-R521 PolarHBondContact OE2-NH2 3.2Å; Q518-R521 PolarHBondContact O-N 3.39Å; R521-R524 PolarHBondContact O-N 2.84Å; R521-C525 WeakPolarHBondContact O-CB 3.49Å; R521-C525 PolarHBondContact O-N 2.81Å; R521-C525 PolarHBondContact O-SG 3.39Å |
| 522 | Q | 96.9 | Very high | 96.5 | Very high | 135 Ų | 135 | 101.8 Ų | 101.8 | 63% | 0.631 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.4 | -46.1 | 177.7 | -174.5 | 179.7 | 6.8 | 0 | 0 | 112.1 | Q518 K519 C525 H526 | Q518-Q522 WeakPolarHBondContact O-CB 3.32Å; Q518-Q522 PolarHBondContact O-N 2.91Å; K519-Q522 PolarHBondContact O-N 3.01Å; Q522-C525 PolarHBondContact O-N 3.41Å; Q522-H526 PolarHBondContact O-N 2.85Å |
| 523 | A | 96.6 | Very high | 96.5 | Very high | 47 Ų | 47 | 100.5 Ų | 100.5 | 39% | 0.388 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.3 | -52.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | K519 I520 C525 H526 E527 | K519-A523 WeakPolarHBondContact O-CB 3.31Å; K519-A523 PolarHBondContact O-N 3.42Å; I520-A523 PolarHBondContact O-N 2.96Å; A523-C525 VanDerWaalsContact C-N 3.28Å; A523-C525 PolarHBondContact O-N 3.32Å; A523-H526 WeakPolarHBondContact O-CB 3.31Å; A523-H526 PolarHBondContact O-N 3.12Å; A523-E527 WeakPolarHBondContact O-CG 3.48Å; A523-E527 PolarHBondContact O-N 3.01Å |
| 524 | R | 96.8 | Very high | 96.4 | Very high | 167 Ų | 167 | 106.2 Ų | 106.2 | 63% | 0.63 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -57.2 | -38.6 | 176.5 | -70.7 | 173.3 | 179.8 | -178.7 | 1.3 | 112.9 | I520 R521 H528 | I520-R524 WeakPolarHBondContact O-CG 3.43Å; I520-R524 PolarHBondContact O-N 3.45Å; I520-R524 VanDerWaalsContact O-N 3.08Å; R521-R524 PolarHBondContact O-N 2.84Å; R524-H528 VanDerWaalsContact O-CB 3.23Å; R524-H528 WeakPolarHBondContact O-CB 3.24Å; R524-H528 PolarHBondContact O-N 3.41Å |
| 525 | C | 95.7 | Very high | 96.3 | Very high | 76 Ų | 76 | 104.6 Ų | 104.6 | 51% | 0.514 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.3 | -33.5 | 176.4 | -69.9 | 0 | 0 | 0 | 0 | 112.6 | R521 Q522 A523 K529 | R521-C525 WeakPolarHBondContact O-CB 3.49Å; R521-C525 PolarHBondContact O-N 2.81Å; R521-C525 PolarHBondContact O-SG 3.39Å; Q522-C525 PolarHBondContact O-N 3.41Å; A523-C525 VanDerWaalsContact C-N 3.28Å; A523-C525 PolarHBondContact O-N 3.32Å; C525-K529 WeakPolarHBondContact O-CG 3.45Å; C525-K529 PolarHBondContact O-N 3.22Å; C525-K529 VanDerWaalsContact O-N 3.12Å |
| 526 | H | 96.3 | Very high | 96.2 | Very high | 123 Ų | 123 | 106 Ų | 106 | 57% | 0.569 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -74.7 | -43.1 | 175.9 | -178.6 | 63.9 | 0 | 0 | 0 | 112.1 | Q522 A523 H528 K529 T530 | Q522-H526 PolarHBondContact O-N 2.85Å; A523-H526 WeakPolarHBondContact O-CB 3.31Å; A523-H526 PolarHBondContact O-N 3.12Å; H526-H528 VanDerWaalsContact C-N 3.33Å; H526-H528 PolarHBondContact O-N 2.92Å; H526-K529 PolarHBondContact O-N 3.19Å; H526-T530 WeakPolarHBondContact O-CG2 3.43Å; H526-T530 PolarHBondContact O-N 3.25Å; H526-T530 PolarHBondContact O-OG1 2.95Å |
| 527 | E | 95.4 | Very high | 96.2 | Very high | 121 Ų | 121 | 108.6 Ų | 108.6 | 57% | 0.565 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -57.5 | -44.8 | 171.1 | -69.7 | 168.6 | 167.5 | 0 | 0 | 111.4 | A523 T530 S531 | A523-E527 WeakPolarHBondContact O-CG 3.48Å; A523-E527 PolarHBondContact O-N 3.01Å; E527-T530 PolarHBondContact O-OG1 3.49Å; E527-S531 WeakPolarHBondContact O-CB 3.38Å; E527-S531 PolarHBondContact O-N 3.3Å |
| 528 | H | 93.9 | Very high | 96.2 | Very high | 104 Ų | 104 | 109.5 Ų | 109.5 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.3 | -32.6 | -179.8 | -173.5 | 61.9 | 0 | 0 | 0 | 113.4 | R524 H526 K532 | R524-H528 VanDerWaalsContact O-CB 3.23Å; R524-H528 WeakPolarHBondContact O-CB 3.24Å; R524-H528 PolarHBondContact O-N 3.41Å; H526-H528 VanDerWaalsContact C-N 3.33Å; H526-H528 PolarHBondContact O-N 2.92Å; H528-K532 VanDerWaalsContact NE2-CE 3.26Å; H528-K532 WeakPolarHBondContact NE2-CE 3.42Å; H528-K532 PolarHBondContact NE2-NZ 2.8Å; H528-K532 WeakPolarHBondContact O-CG 3.48Å; H528-K532 PolarHBondContact O-N 2.9Å |
| 529 | K | 94.9 | Very high | 96.2 | Very high | 138 Ų | 138 | 109.8 Ų | 109.8 | 60% | 0.6 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.9 | -60.6 | 170.1 | -77.4 | 178.2 | 177.4 | -169 | 0 | 110.6 | C525 H526 S531 K532 D533 | C525-K529 WeakPolarHBondContact O-CG 3.45Å; C525-K529 PolarHBondContact O-N 3.22Å; C525-K529 VanDerWaalsContact O-N 3.12Å; H526-K529 PolarHBondContact O-N 3.19Å; K529-S531 PolarHBondContact O-N 3.4Å; K529-K532 CarbonylContact O-C 3.56Å; K529-K532 WeakPolarHBondContact O-CA 3.33Å; K529-K532 WeakPolarHBondContact O-CB 3.46Å; K529-K532 PolarHBondContact O-N 2.89Å; K529-D533 VanDerWaalsContact C-OD2 3.24Å; K529-D533 PolarHBondContact O-N 2.89Å; K529-D533 VanDerWaalsContact O-OD2 3.12Å |
| 530 | T | 94.8 | Very high | 96.1 | Very high | 45 Ų | 45 | 109.2 Ų | 109.2 | 28% | 0.276 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.2 | -29.1 | -178.8 | 54.3 | 0 | 0 | 0 | 0 | 113.4 | H526 E527 D533 R534 | H526-T530 WeakPolarHBondContact O-CG2 3.43Å; H526-T530 PolarHBondContact O-N 3.25Å; H526-T530 PolarHBondContact O-OG1 2.95Å; E527-T530 PolarHBondContact O-OG1 3.49Å; T530-D533 WeakPolarHBondContact CA-OD2 3.31Å; T530-D533 PolarHBondContact N-OD2 3.18Å; T530-R534 WeakPolarHBondContact O-CB 3.28Å; T530-R534 WeakPolarHBondContact O-CD 3.35Å; T530-R534 WeakPolarHBondContact O-CG 3.35Å; T530-R534 PolarHBondContact O-N 2.95Å; T530-R534 VanDerWaalsContact O-N 3.1Å |
| 531 | S | 94.3 | Very high | 96.1 | Very high | 63 Ų | 63 | 107.9 Ų | 107.9 | 44% | 0.441 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.4 | -47.5 | 169.3 | 177.5 | 0 | 0 | 0 | 0 | 112.7 | E527 K529 R534 V535 | E527-S531 WeakPolarHBondContact O-CB 3.38Å; E527-S531 PolarHBondContact O-N 3.3Å; K529-S531 PolarHBondContact O-N 3.4Å; S531-R534 PolarHBondContact O-N 2.99Å; S531-V535 WeakPolarHBondContact O-CG2 3.49Å; S531-V535 PolarHBondContact O-N 2.74Å |
| 532 | K | 95.3 | Very high | 96.1 | Very high | 111 Ų | 111 | 104.4 Ų | 104.4 | 48% | 0.483 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 174 | -81.7 | 170.2 | 159.5 | 165.8 | 0 | 112 | H528 K529 R534 V535 Q536 | H528-K532 VanDerWaalsContact NE2-CE 3.26Å; H528-K532 WeakPolarHBondContact NE2-CE 3.42Å; H528-K532 PolarHBondContact NE2-NZ 2.8Å; H528-K532 WeakPolarHBondContact O-CG 3.48Å; H528-K532 PolarHBondContact O-N 2.9Å; K529-K532 CarbonylContact O-C 3.56Å; K529-K532 WeakPolarHBondContact O-CA 3.33Å; K529-K532 WeakPolarHBondContact O-CB 3.46Å; K529-K532 PolarHBondContact O-N 2.89Å; K532-R534 VanDerWaalsContact C-N 3.29Å; K532-R534 PolarHBondContact O-N 2.97Å; K532-V535 PolarHBondContact O-N 3.47Å; K532-V535 VanDerWaalsContact O-N 3.08Å; K532-Q536 WeakPolarHBondContact O-CG 3.48Å; K532-Q536 PolarHBondContact O-N 2.81Å |
| 533 | D | 96 | Very high | 96.1 | Very high | 88 Ų | 88 | 100.4 Ų | 100.4 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | -179.5 | -47.8 | -28.1 | 0 | 0 | 0 | 110.5 | K529 T530 Q536 H537 | K529-D533 VanDerWaalsContact C-OD2 3.24Å; K529-D533 PolarHBondContact O-N 2.89Å; K529-D533 VanDerWaalsContact O-OD2 3.12Å; T530-D533 WeakPolarHBondContact CA-OD2 3.31Å; T530-D533 PolarHBondContact N-OD2 3.18Å; D533-Q536 PolarHBondContact O-N 3.41Å; D533-H537 WeakPolarHBondContact O-CB 3.41Å; D533-H537 PolarHBondContact O-N 3.36Å |
| 534 | R | 96.3 | Very high | 96.2 | Very high | 180 Ų | 180 | 103 Ų | 103 | 68% | 0.679 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.1 | -41.4 | 173.2 | -75.5 | 170.1 | -178.2 | -165.5 | 1.3 | 113.2 | T530 S531 K532 L538 | T530-R534 WeakPolarHBondContact O-CB 3.28Å; T530-R534 WeakPolarHBondContact O-CD 3.35Å; T530-R534 WeakPolarHBondContact O-CG 3.35Å; T530-R534 PolarHBondContact O-N 2.95Å; T530-R534 VanDerWaalsContact O-N 3.1Å; S531-R534 PolarHBondContact O-N 2.99Å; K532-R534 VanDerWaalsContact C-N 3.29Å; K532-R534 PolarHBondContact O-N 2.97Å; R534-L538 WeakPolarHBondContact O-CB 3.44Å; R534-L538 VanDerWaalsContact O-CG 3.28Å; R534-L538 WeakPolarHBondContact O-CG 3.49Å; R534-L538 PolarHBondContact O-N 2.83Å |
| 535 | V | 96.8 | Very high | 96.2 | Very high | 87 Ų | 87 | 103.3 Ų | 103.3 | 53% | 0.527 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 178.2 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | S531 K532 L538 Q539 | S531-V535 WeakPolarHBondContact O-CG2 3.49Å; S531-V535 PolarHBondContact O-N 2.74Å; K532-V535 PolarHBondContact O-N 3.47Å; K532-V535 VanDerWaalsContact O-N 3.08Å; V535-L538 PolarHBondContact O-N 3.46Å; V535-Q539 WeakPolarHBondContact O-CB 3.44Å; V535-Q539 PolarHBondContact O-N 3.4Å |
| 536 | Q | 96.6 | Very high | 96.2 | Very high | 109 Ų | 109 | 106 Ų | 106 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -50.2 | 174.8 | -72.8 | 175.9 | -29.8 | 0 | 0 | 111.4 | K532 D533 L538 Q539 E540 | K532-Q536 WeakPolarHBondContact O-CG 3.48Å; K532-Q536 PolarHBondContact O-N 2.81Å; D533-Q536 PolarHBondContact O-N 3.41Å; Q536-L538 VanDerWaalsContact C-N 3.31Å; Q536-L538 PolarHBondContact O-N 3.41Å; Q536-Q539 WeakPolarHBondContact O-CA 3.4Å; Q536-Q539 WeakPolarHBondContact O-CB 3.48Å; Q536-Q539 PolarHBondContact O-N 2.92Å; Q536-E540 WeakPolarHBondContact O-CG 3.39Å; Q536-E540 PolarHBondContact O-N 3.35Å |
| 537 | H | 96.9 | Very high | 96.3 | Very high | 103 Ų | 103 | 107.6 Ų | 107.6 | 48% | 0.477 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.7 | -37.8 | 176.6 | 178 | -108.2 | 0 | 0 | 0 | 113.1 | D533 E540 L541 | D533-H537 WeakPolarHBondContact O-CB 3.41Å; D533-H537 PolarHBondContact O-N 3.36Å; H537-E540 PolarHBondContact O-N 2.98Å; H537-L541 WeakPolarHBondContact O-CB 3.14Å; H537-L541 WeakPolarHBondContact O-CG 3.49Å; H537-L541 PolarHBondContact O-N 2.99Å |
| 538 | L | 96.9 | Very high | 96.4 | Very high | 112 Ų | 112 | 106 Ų | 106 | 59% | 0.586 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.9 | -35.9 | 173.5 | -74.7 | 168.6 | 0 | 0 | 0 | 112.5 | R534 V535 Q536 S542 | R534-L538 WeakPolarHBondContact O-CB 3.44Å; R534-L538 VanDerWaalsContact O-CG 3.28Å; R534-L538 WeakPolarHBondContact O-CG 3.49Å; R534-L538 PolarHBondContact O-N 2.83Å; V535-L538 PolarHBondContact O-N 3.46Å; Q536-L538 VanDerWaalsContact C-N 3.31Å; Q536-L538 PolarHBondContact O-N 3.41Å; L538-S542 WeakPolarHBondContact O-CB 3.18Å; L538-S542 PolarHBondContact O-N 2.92Å |
| 539 | Q | 97.1 | Very high | 96.6 | Very high | 133 Ų | 133 | 106 Ų | 106 | 62% | 0.621 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.5 | -42.6 | 174.4 | -173 | 175.7 | -0.1 | 0 | 0 | 111.5 | V535 Q536 S542 V543 | V535-Q539 WeakPolarHBondContact O-CB 3.44Å; V535-Q539 PolarHBondContact O-N 3.4Å; Q536-Q539 WeakPolarHBondContact O-CA 3.4Å; Q536-Q539 WeakPolarHBondContact O-CB 3.48Å; Q536-Q539 PolarHBondContact O-N 2.92Å; Q539-S542 WeakPolarHBondContact O-CB 3.44Å; Q539-S542 PolarHBondContact O-N 3.19Å; Q539-V543 WeakPolarHBondContact O-CG2 2.82Å; Q539-V543 PolarHBondContact O-N 2.82Å |
| 540 | E | 97.1 | Very high | 96.7 | Very high | 118 Ų | 118 | 104.7 Ų | 104.7 | 55% | 0.551 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.4 | -47.6 | 173.6 | -70.7 | 170 | 177.3 | 0 | 0 | 111.7 | Q536 H537 S542 V543 L544 | Q536-E540 WeakPolarHBondContact O-CG 3.39Å; Q536-E540 PolarHBondContact O-N 3.35Å; H537-E540 PolarHBondContact O-N 2.98Å; E540-S542 VanDerWaalsContact C-N 3.26Å; E540-S542 PolarHBondContact O-N 3.36Å; E540-V543 PolarHBondContact O-N 3.39Å; E540-L544 WeakPolarHBondContact O-CG 3.46Å; E540-L544 PolarHBondContact O-N 2.82Å |
| 541 | L | 97.2 | Very high | 96.8 | Very high | 59 Ų | 59 | 106.8 Ų | 106.8 | 31% | 0.309 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.4 | -35.8 | 173.7 | -75.3 | 177.2 | 0 | 0 | 0 | 112.5 | H537 L544 R545 | H537-L541 WeakPolarHBondContact O-CB 3.14Å; H537-L541 WeakPolarHBondContact O-CG 3.49Å; H537-L541 PolarHBondContact O-N 2.99Å; L541-L544 PolarHBondContact O-N 2.89Å; L541-R545 WeakPolarHBondContact O-CB 3.37Å; L541-R545 VanDerWaalsContact O-CG 3.24Å; L541-R545 WeakPolarHBondContact O-CG 3.49Å; L541-R545 PolarHBondContact O-N 3.23Å |
| 542 | S | 96.9 | Very high | 97 | Very high | 73 Ų | 73 | 108.1 Ų | 108.1 | 51% | 0.51 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.9 | -48.3 | 175 | -162.3 | 0 | 0 | 0 | 0 | 111.4 | L538 Q539 E540 L544 R545 E546 | L538-S542 WeakPolarHBondContact O-CB 3.18Å; L538-S542 PolarHBondContact O-N 2.92Å; Q539-S542 WeakPolarHBondContact O-CB 3.44Å; Q539-S542 PolarHBondContact O-N 3.19Å; E540-S542 VanDerWaalsContact C-N 3.26Å; E540-S542 PolarHBondContact O-N 3.36Å; S542-L544 VanDerWaalsContact C-N 3.32Å; S542-L544 PolarHBondContact O-N 2.97Å; S542-R545 PolarHBondContact O-N 2.79Å; S542-E546 PolarHBondContact O-N 3.24Å |
| 543 | V | 97.4 | Very high | 97.1 | Very high | 52 Ų | 52 | 109 Ų | 109 | 32% | 0.315 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.6 | -37.2 | 176.8 | 172.4 | 0 | 0 | 0 | 0 | 111.7 | Q539 E540 E546 R547 | Q539-V543 WeakPolarHBondContact O-CG2 2.82Å; Q539-V543 PolarHBondContact O-N 2.82Å; E540-V543 PolarHBondContact O-N 3.39Å; V543-E546 PolarHBondContact O-N 2.73Å; V543-R547 WeakPolarHBondContact O-CB 3.45Å; V543-R547 VanDerWaalsContact O-CG 3.24Å; V543-R547 WeakPolarHBondContact O-CG 3.27Å; V543-R547 PolarHBondContact O-N 3.4Å |
| 544 | L | 97 | Very high | 97.2 | Very high | 101 Ų | 101 | 108.1 Ų | 108.1 | 53% | 0.529 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.7 | -38.9 | 174.9 | -70.2 | 174.3 | 0 | 0 | 0 | 112.4 | E540 L541 S542 N548 | E540-L544 WeakPolarHBondContact O-CG 3.46Å; E540-L544 PolarHBondContact O-N 2.82Å; L541-L544 PolarHBondContact O-N 2.89Å; S542-L544 VanDerWaalsContact C-N 3.32Å; S542-L544 PolarHBondContact O-N 2.97Å; L544-N548 WeakPolarHBondContact O-CB 3.46Å; L544-N548 PolarHBondContact O-N 3.44Å |
| 545 | R | 97.3 | Very high | 97.2 | Very high | 173 Ų | 173 | 106 Ų | 106 | 65% | 0.653 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.9 | -43.3 | 173.2 | -73 | 168.5 | -177.9 | -166.7 | 0.7 | 111.7 | L541 S542 N548 N549 | L541-R545 WeakPolarHBondContact O-CB 3.37Å; L541-R545 VanDerWaalsContact O-CG 3.24Å; L541-R545 WeakPolarHBondContact O-CG 3.49Å; L541-R545 PolarHBondContact O-N 3.23Å; S542-R545 PolarHBondContact O-N 2.79Å; R545-N548 PolarHBondContact O-N 3.21Å; R545-N549 WeakPolarHBondContact O-CB 3.32Å; R545-N549 VanDerWaalsContact O-CG 3.23Å; R545-N549 PolarHBondContact O-N 3.42Å; R545-N549 PolarHBondContact O-ND2 3.48Å |
| 546 | E | 96.9 | Very high | 97.2 | Very high | 134 Ų | 134 | 104.6 Ų | 104.6 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.2 | -48.1 | 175.9 | -176.4 | 178.1 | -158.2 | 0 | 0 | 111.7 | S542 V543 N548 N549 H550 | S542-E546 PolarHBondContact O-N 3.24Å; V543-E546 PolarHBondContact O-N 2.73Å; E546-N548 VanDerWaalsContact C-N 3.32Å; E546-N548 PolarHBondContact O-N 3.23Å; E546-N549 PolarHBondContact O-N 3.06Å; E546-H550 PolarHBondContact O-N 2.91Å |
| 547 | R | 97.4 | Very high | 97.2 | Very high | 156 Ų | 156 | 102.2 Ų | 102.2 | 59% | 0.589 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.3 | -41.2 | 174.1 | -72.2 | 170.6 | -177.7 | -177.8 | 2.6 | 112.2 | V543 H550 I551 | V543-R547 WeakPolarHBondContact O-CB 3.45Å; V543-R547 VanDerWaalsContact O-CG 3.24Å; V543-R547 WeakPolarHBondContact O-CG 3.27Å; V543-R547 PolarHBondContact O-N 3.4Å; R547-H550 PolarHBondContact O-N 3.33Å; R547-I551 VanDerWaalsContact O-CG1 3.31Å; R547-I551 WeakPolarHBondContact O-CG1 3.06Å; R547-I551 PolarHBondContact O-N 2.87Å |
| 548 | N | 97.8 | Very high | 97.2 | Very high | 88 Ų | 88 | 104.2 Ų | 104.2 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -47.5 | 176.9 | -168.8 | -85.5 | 0 | 0 | 0 | 111.6 | L544 R545 E546 H550 I551 L552 | L544-N548 WeakPolarHBondContact O-CB 3.46Å; L544-N548 PolarHBondContact O-N 3.44Å; R545-N548 PolarHBondContact O-N 3.21Å; E546-N548 VanDerWaalsContact C-N 3.32Å; E546-N548 PolarHBondContact O-N 3.23Å; N548-H550 VanDerWaalsContact C-N 3.3Å; N548-H550 PolarHBondContact O-N 3.34Å; N548-I551 PolarHBondContact O-N 2.85Å; N548-I551 VanDerWaalsContact O-N 3.12Å; N548-L552 WeakPolarHBondContact O-CG 3.14Å; N548-L552 PolarHBondContact O-N 3.3Å; N548-L552 WeakPolarHBondContact OD1-CD1 3.24Å |
| 549 | N | 97.7 | Very high | 97.2 | Very high | 102 Ų | 102 | 106 Ų | 106 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.2 | -39.7 | 175.8 | -69.6 | -14.9 | 0 | 0 | 0 | 112 | R545 E546 L552 K553 | R545-N549 WeakPolarHBondContact O-CB 3.32Å; R545-N549 VanDerWaalsContact O-CG 3.23Å; R545-N549 PolarHBondContact O-N 3.42Å; R545-N549 PolarHBondContact O-ND2 3.48Å; E546-N549 PolarHBondContact O-N 3.06Å; N549-L552 PolarHBondContact O-N 3.23Å; N549-K553 WeakPolarHBondContact O-CB 3.39Å; N549-K553 PolarHBondContact O-N 3.21Å |
| 550 | H | 97.5 | Very high | 97.2 | Very high | 112 Ų | 112 | 105.3 Ų | 105.3 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 174.4 | -176.1 | 71.8 | 0 | 0 | 0 | 112.3 | E546 R547 N548 K553 L554 | E546-H550 PolarHBondContact O-N 2.91Å; R547-H550 PolarHBondContact O-N 3.33Å; N548-H550 VanDerWaalsContact C-N 3.3Å; N548-H550 PolarHBondContact O-N 3.34Å; H550-K553 PolarHBondContact O-N 2.96Å; H550-L554 WeakPolarHBondContact NE2-CD1 3.12Å; H550-L554 WeakPolarHBondContact O-CG 3.47Å; H550-L554 PolarHBondContact O-N 2.8Å |
| 551 | I | 97.4 | Very high | 97.1 | Very high | 89 Ų | 89 | 104.8 Ų | 104.8 | 46% | 0.456 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 174.4 | -68.9 | 163.5 | 0 | 0 | 0 | 111.3 | R547 N548 L554 K555 | R547-I551 VanDerWaalsContact O-CG1 3.31Å; R547-I551 WeakPolarHBondContact O-CG1 3.06Å; R547-I551 PolarHBondContact O-N 2.87Å; N548-I551 PolarHBondContact O-N 2.85Å; N548-I551 VanDerWaalsContact O-N 3.12Å; I551-L554 PolarHBondContact O-N 3.4Å; I551-K555 WeakPolarHBondContact O-CG 3.15Å; I551-K555 PolarHBondContact O-N 3.49Å |
| 552 | L | 97.1 | Very high | 97 | Very high | 91 Ų | 91 | 106 Ų | 106 | 48% | 0.476 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 175.7 | -69.4 | 174.4 | 0 | 0 | 0 | 111.6 | N548 N549 K555 A556 | N548-L552 WeakPolarHBondContact O-CG 3.14Å; N548-L552 PolarHBondContact O-N 3.3Å; N548-L552 WeakPolarHBondContact OD1-CD1 3.24Å; N549-L552 PolarHBondContact O-N 3.23Å; L552-K555 WeakPolarHBondContact O-CB 3.21Å; L552-K555 PolarHBondContact O-N 2.95Å; L552-A556 PolarHBondContact O-N 2.94Å |
| 553 | K | 97.9 | Very high | 96.9 | Very high | 129 Ų | 129 | 108.6 Ų | 108.6 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.9 | -48.1 | 173.3 | 176.2 | 170.2 | 171.6 | 170.9 | 0 | 111.9 | N549 H550 K555 A556 E557 | N549-K553 WeakPolarHBondContact O-CB 3.39Å; N549-K553 PolarHBondContact O-N 3.21Å; H550-K553 PolarHBondContact O-N 2.96Å; K553-K555 PolarHBondContact O-N 3.42Å; K553-A556 PolarHBondContact O-N 3.19Å; K553-E557 WeakPolarHBondContact CE-OE1 3.49Å; K553-E557 HydrophobicContact CG-CG 4.44Å; K553-E557 IonicContact NZ-OE1 2.87Å; K553-E557 WeakPolarHBondContact O-CG 3.28Å; K553-E557 PolarHBondContact O-N 2.88Å |
| 554 | L | 97.3 | Very high | 96.9 | Very high | 70 Ų | 70 | 109.3 Ų | 109.3 | 37% | 0.366 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.4 | -25.4 | 177 | -73.1 | -179.9 | 0 | 0 | 0 | 113.7 | H550 I551 K558 | H550-L554 WeakPolarHBondContact NE2-CD1 3.12Å; H550-L554 WeakPolarHBondContact O-CG 3.47Å; H550-L554 PolarHBondContact O-N 2.8Å; I551-L554 PolarHBondContact O-N 3.4Å; L554-K558 VanDerWaalsContact O-CG 3.28Å; L554-K558 WeakPolarHBondContact O-CG 3.47Å; L554-K558 PolarHBondContact O-N 2.82Å |
| 555 | K | 97.4 | Very high | 96.8 | Very high | 136 Ų | 136 | 110 Ų | 110 | 59% | 0.591 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -72.3 | -49.8 | 170.6 | -76.3 | 178.7 | 177.5 | -173.4 | 0 | 111 | I551 L552 K553 E557 K558 E559 | I551-K555 WeakPolarHBondContact O-CG 3.15Å; I551-K555 PolarHBondContact O-N 3.49Å; L552-K555 WeakPolarHBondContact O-CB 3.21Å; L552-K555 PolarHBondContact O-N 2.95Å; K553-K555 PolarHBondContact O-N 3.42Å; K555-E557 PolarHBondContact O-N 3.21Å; K555-K558 WeakPolarHBondContact O-CB 3.37Å; K555-K558 PolarHBondContact O-N 3.32Å; K555-E559 PolarHBondContact O-N 3.3Å |
| 556 | A | 96.8 | Very high | 96.7 | Very high | 56 Ų | 56 | 103.7 Ų | 103.7 | 46% | 0.463 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.1 | -46.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L552 K553 K558 E559 E560 | L552-A556 PolarHBondContact O-N 2.94Å; K553-A556 PolarHBondContact O-N 3.19Å; A556-K558 PolarHBondContact O-N 2.79Å; A556-E559 PolarHBondContact O-N 3.46Å; A556-E560 WeakPolarHBondContact O-CB 3.29Å; A556-E560 PolarHBondContact O-N 2.83Å |
| 557 | E | 96.3 | Very high | 96.7 | Very high | 60 Ų | 60 | 101.1 Ų | 101.1 | 28% | 0.28 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.5 | -25.3 | 176 | -73.9 | -178 | -158.5 | 0 | 0 | 113.9 | K553 K555 K561 | K553-E557 WeakPolarHBondContact CE-OE1 3.49Å; K553-E557 HydrophobicContact CG-CG 4.44Å; K553-E557 IonicContact NZ-OE1 2.87Å; K553-E557 WeakPolarHBondContact O-CG 3.28Å; K553-E557 PolarHBondContact O-N 2.88Å; K555-E557 PolarHBondContact O-N 3.21Å; E557-K561 WeakPolarHBondContact O-CD 3.37Å; E557-K561 WeakPolarHBondContact O-CE 3.39Å; E557-K561 WeakPolarHBondContact O-CG 3.48Å; E557-K561 PolarHBondContact O-N 2.9Å; E557-K561 IonicContact OE2-NZ 2.75Å |
| 558 | K | 97.2 | Very high | 96.6 | Very high | 145 Ų | 145 | 99.8 Ų | 99.8 | 63% | 0.63 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -80.7 | -43.6 | 174.4 | -78.2 | 178.3 | 179.6 | -172 | 0 | 111.2 | L554 K555 A556 E560 K561 C562 | L554-K558 VanDerWaalsContact O-CG 3.28Å; L554-K558 WeakPolarHBondContact O-CG 3.47Å; L554-K558 PolarHBondContact O-N 2.82Å; K555-K558 WeakPolarHBondContact O-CB 3.37Å; K555-K558 PolarHBondContact O-N 3.32Å; A556-K558 PolarHBondContact O-N 2.79Å; K558-E560 VanDerWaalsContact C-N 3.34Å; K558-K561 PolarHBondContact O-N 3.45Å; K558-C562 PolarHBondContact O-N 2.86Å; K558-C562 PolarHBondContact O-SG 2.6Å; K558-C562 VanDerWaalsContact O-SG 3.33Å |
| 559 | E | 96.6 | Very high | 96.5 | Very high | 150 Ų | 150 | 100.8 Ų | 100.8 | 70% | 0.701 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.2 | -43 | 176.2 | -172.8 | 170.5 | -177.8 | 0 | 0 | 111.4 | K555 A556 K561 C562 H563 | K555-E559 PolarHBondContact O-N 3.3Å; A556-E559 PolarHBondContact O-N 3.46Å; E559-K561 PolarHBondContact O-N 3.46Å; E559-C562 PolarHBondContact O-N 3.22Å; E559-H563 WeakPolarHBondContact O-CB 3.28Å; E559-H563 PolarHBondContact O-N 2.79Å |
| 560 | E | 96.1 | Very high | 96.4 | Very high | 118 Ų | 118 | 98.4 Ų | 98.4 | 55% | 0.551 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.1 | -46.2 | 172.7 | -174.2 | -174.1 | -176.4 | 0 | 0 | 111.9 | A556 K558 H563 I564 | A556-E560 WeakPolarHBondContact O-CB 3.29Å; A556-E560 PolarHBondContact O-N 2.83Å; K558-E560 VanDerWaalsContact C-N 3.34Å; E560-H563 PolarHBondContact O-N 2.93Å; E560-I564 HydrophobicContact CG-CD1 3.92Å; E560-I564 WeakPolarHBondContact O-CB 3.31Å; E560-I564 VanDerWaalsContact O-CG1 3.29Å; E560-I564 WeakPolarHBondContact O-CG1 3.35Å; E560-I564 PolarHBondContact O-N 3.41Å |
| 561 | K | 96.6 | Very high | 96.2 | Very high | 107 Ų | 107 | 97 Ų | 97 | 47% | 0.465 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 177.3 | -74.2 | 163.6 | -166.2 | 152.7 | 0 | 111.6 | E557 K558 E559 H563 I564 E565 | E557-K561 WeakPolarHBondContact O-CD 3.37Å; E557-K561 WeakPolarHBondContact O-CE 3.39Å; E557-K561 WeakPolarHBondContact O-CG 3.48Å; E557-K561 PolarHBondContact O-N 2.9Å; E557-K561 IonicContact OE2-NZ 2.75Å; K558-K561 PolarHBondContact O-N 3.45Å; E559-K561 PolarHBondContact O-N 3.46Å; K561-H563 VanDerWaalsContact C-N 3.3Å; K561-H563 PolarHBondContact O-N 3.29Å; K561-I564 PolarHBondContact O-N 3.4Å; K561-E565 WeakPolarHBondContact O-CB 3.31Å; K561-E565 WeakPolarHBondContact O-CG 3.37Å; K561-E565 PolarHBondContact O-N 3.42Å |
| 562 | C | 94.3 | Very high | 96.1 | Very high | 83 Ų | 83 | 99.9 Ų | 99.9 | 56% | 0.561 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.4 | -36.8 | 174.6 | -65.9 | 0 | 0 | 0 | 0 | 112.4 | K558 E559 E565 G566 | K558-C562 PolarHBondContact O-N 2.86Å; K558-C562 PolarHBondContact O-SG 2.6Å; K558-C562 VanDerWaalsContact O-SG 3.33Å; E559-C562 PolarHBondContact O-N 3.22Å; C562-E565 PolarHBondContact O-N 2.88Å; C562-G566 PolarHBondContact O-N 3.03Å |
| 563 | H | 95.5 | Very high | 96 | Very high | 128 Ų | 128 | 100.6 Ų | 100.6 | 59% | 0.593 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.8 | -44.1 | 176 | -171.3 | 73.2 | 0 | 0 | 0 | 112 | E559 E560 K561 E565 G566 I567 | E559-H563 WeakPolarHBondContact O-CB 3.28Å; E559-H563 PolarHBondContact O-N 2.79Å; E560-H563 PolarHBondContact O-N 2.93Å; K561-H563 VanDerWaalsContact C-N 3.3Å; K561-H563 PolarHBondContact O-N 3.29Å; H563-E565 VanDerWaalsContact C-N 3.32Å; H563-E565 PolarHBondContact O-N 3.33Å; H563-G566 PolarHBondContact O-N 3.3Å; H563-I567 WeakPolarHBondContact O-CG1 3.26Å; H563-I567 PolarHBondContact O-N 3.26Å |
| 564 | I | 96.5 | Very high | 95.8 | Very high | 68 Ų | 68 | 101.3 Ų | 101.3 | 35% | 0.349 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 174.1 | -70.8 | 166.7 | 0 | 0 | 0 | 111 | E560 K561 I567 K568 | E560-I564 HydrophobicContact CG-CD1 3.92Å; E560-I564 WeakPolarHBondContact O-CB 3.31Å; E560-I564 VanDerWaalsContact O-CG1 3.29Å; E560-I564 WeakPolarHBondContact O-CG1 3.35Å; E560-I564 PolarHBondContact O-N 3.41Å; K561-I564 PolarHBondContact O-N 3.4Å; I564-I567 PolarHBondContact O-N 2.89Å; I564-K568 HydrophobicContact CG2-CD 4.17Å; I564-K568 VanDerWaalsContact O-CG 3.28Å; I564-K568 WeakPolarHBondContact O-CG 3.48Å; I564-K568 PolarHBondContact O-N 2.86Å |
| 565 | E | 95.3 | Very high | 95.6 | Very high | 116 Ų | 116 | 103.1 Ų | 103.1 | 54% | 0.542 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 174.8 | -74.5 | 168 | -175.8 | 0 | 0 | 111.9 | K561 C562 H563 I567 K568 E569 | K561-E565 WeakPolarHBondContact O-CB 3.31Å; K561-E565 WeakPolarHBondContact O-CG 3.37Å; K561-E565 PolarHBondContact O-N 3.42Å; C562-E565 PolarHBondContact O-N 2.88Å; H563-E565 VanDerWaalsContact C-N 3.32Å; H563-E565 PolarHBondContact O-N 3.33Å; E565-I567 VanDerWaalsContact C-N 3.33Å; E565-I567 PolarHBondContact O-N 2.92Å; E565-K568 PolarHBondContact O-N 3.07Å; E565-E569 PolarHBondContact O-N 3.07Å |
| 566 | G | 95.8 | Very high | 95.4 | Very high | 40 Ų | 40 | 101.7 Ų | 101.7 | 41% | 0.412 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60 | -39.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | C562 H563 A570 | C562-G566 PolarHBondContact O-N 3.03Å; H563-G566 PolarHBondContact O-N 3.3Å; G566-A570 WeakPolarHBondContact O-CB 3.45Å; G566-A570 PolarHBondContact O-N 3.33Å |
| 567 | I | 95.7 | Very high | 95 | Very high | 80 Ų | 80 | 107.4 Ų | 107.4 | 41% | 0.41 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.8 | -46.8 | 172.7 | -71.3 | 168.7 | 0 | 0 | 0 | 110.8 | H563 I564 E565 E569 A570 I571 | H563-I567 WeakPolarHBondContact O-CG1 3.26Å; H563-I567 PolarHBondContact O-N 3.26Å; I564-I567 PolarHBondContact O-N 2.89Å; E565-I567 VanDerWaalsContact C-N 3.33Å; E565-I567 PolarHBondContact O-N 2.92Å; I567-E569 VanDerWaalsContact C-N 3.33Å; I567-E569 PolarHBondContact O-N 3.08Å; I567-A570 PolarHBondContact O-N 3.42Å; I567-A570 VanDerWaalsContact O-N 3.13Å; I567-I571 HydrophobicContact CG2-CD1 3.79Å; I567-I571 HydrophobicContact CG2-CG1 4.42Å; I567-I571 WeakPolarHBondContact O-CG1 3.38Å; I567-I571 PolarHBondContact O-N 3.2Å |
| 568 | K | 96.6 | Very high | 94.7 | Very high | 128 Ų | 128 | 108.2 Ų | 108.2 | 56% | 0.557 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.1 | -42.5 | 176.7 | -73.5 | 165.7 | -179.1 | 171.5 | 0 | 111.8 | I564 E565 I571 K572 | I564-K568 HydrophobicContact CG2-CD 4.17Å; I564-K568 VanDerWaalsContact O-CG 3.28Å; I564-K568 WeakPolarHBondContact O-CG 3.48Å; I564-K568 PolarHBondContact O-N 2.86Å; E565-K568 PolarHBondContact O-N 3.07Å; K568-I571 PolarHBondContact O-N 3.26Å; K568-K572 WeakPolarHBondContact O-CB 3.37Å; K568-K572 PolarHBondContact O-N 3.47Å |
| 569 | E | 95.3 | Very high | 94.1 | Very high | 109 Ų | 109 | 107.8 Ų | 107.8 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 173 | -80.5 | -157 | -175 | 0 | 0 | 112.7 | E565 I567 I571 K572 K573 | E565-E569 PolarHBondContact O-N 3.07Å; I567-E569 VanDerWaalsContact C-N 3.33Å; I567-E569 PolarHBondContact O-N 3.08Å; E569-I571 VanDerWaalsContact C-N 3.3Å; E569-I571 PolarHBondContact O-N 2.94Å; E569-K572 PolarHBondContact O-N 2.83Å; E569-K573 VanDerWaalsContact O-CB 3.29Å; E569-K573 WeakPolarHBondContact O-CB 3.29Å; E569-K573 WeakPolarHBondContact O-CD 3.44Å; E569-K573 VanDerWaalsContact O-CG 3.23Å; E569-K573 WeakPolarHBondContact O-CG 3.45Å; E569-K573 PolarHBondContact O-N 2.86Å; E569-K573 IonicContact OE2-NZ 2.6Å; E569-K573 PolarHBondContact OE2-NZ 2.91Å |
| 570 | A | 94.8 | Very high | 93.4 | Very high | 51 Ų | 51 | 105.7 Ų | 105.7 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.5 | -34.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G566 I567 K574 | G566-A570 WeakPolarHBondContact O-CB 3.45Å; G566-A570 PolarHBondContact O-N 3.33Å; I567-A570 PolarHBondContact O-N 3.42Å; I567-A570 VanDerWaalsContact O-N 3.13Å; A570-K574 WeakPolarHBondContact O-CG 3.25Å; A570-K574 PolarHBondContact O-N 2.93Å |
| 571 | I | 94.4 | Very high | 92.4 | Very high | 82 Ų | 82 | 105.6 Ų | 105.6 | 42% | 0.421 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65 | -54.5 | 170.4 | -69.6 | 167.2 | 0 | 0 | 0 | 109.6 | I567 K568 E569 K573 K574 E575 | I567-I571 HydrophobicContact CG2-CD1 3.79Å; I567-I571 HydrophobicContact CG2-CG1 4.42Å; I567-I571 WeakPolarHBondContact O-CG1 3.38Å; I567-I571 PolarHBondContact O-N 3.2Å; K568-I571 PolarHBondContact O-N 3.26Å; E569-I571 VanDerWaalsContact C-N 3.3Å; E569-I571 PolarHBondContact O-N 2.94Å; I571-K573 VanDerWaalsContact C-N 3.27Å; I571-K573 PolarHBondContact O-N 3.13Å; I571-K574 CarbonylContact O-C 3.53Å; I571-K574 WeakPolarHBondContact O-CA 3.35Å; I571-K574 WeakPolarHBondContact O-CB 3.44Å; I571-K574 PolarHBondContact O-N 3.43Å; I571-E575 HydrophobicContact CG2-CG 4.22Å; I571-E575 WeakPolarHBondContact CG2-OE1 3.38Å; I571-E575 WeakPolarHBondContact O-CG 3.41Å; I571-E575 PolarHBondContact O-N 3.09Å |
| 572 | K | 95.6 | Very high | 91.3 | Very high | 150 Ų | 150 | 104.5 Ų | 104.5 | 65% | 0.652 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -56.2 | -38.5 | 178.1 | -171.2 | 177.3 | -178.6 | 179.1 | 0 | 113.3 | K568 E569 E575 Q576 | K568-K572 WeakPolarHBondContact O-CB 3.37Å; K568-K572 PolarHBondContact O-N 3.47Å; E569-K572 PolarHBondContact O-N 2.83Å; K572-E575 WeakPolarHBondContact CA-OE2 3.23Å; K572-E575 PolarHBondContact O-N 3.21Å; K572-Q576 WeakPolarHBondContact O-CB 3.42Å; K572-Q576 PolarHBondContact O-N 3.47Å |
| 573 | K | 94.7 | Very high | 89.9 | Confident | 106 Ų | 106 | 110.9 Ų | 110.9 | 46% | 0.461 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.5 | -27.9 | 174.8 | -73.2 | 162.7 | 179.3 | 163.7 | 0 | 112.6 | E569 I571 R577 | E569-K573 VanDerWaalsContact O-CB 3.29Å; E569-K573 WeakPolarHBondContact O-CB 3.29Å; E569-K573 WeakPolarHBondContact O-CD 3.44Å; E569-K573 VanDerWaalsContact O-CG 3.23Å; E569-K573 WeakPolarHBondContact O-CG 3.45Å; E569-K573 PolarHBondContact O-N 2.86Å; E569-K573 IonicContact OE2-NZ 2.6Å; E569-K573 PolarHBondContact OE2-NZ 2.91Å; I571-K573 VanDerWaalsContact C-N 3.27Å; I571-K573 PolarHBondContact O-N 3.13Å; K573-R577 WeakPolarHBondContact O-CD 3.45Å; K573-R577 WeakPolarHBondContact O-CG 3.34Å; K573-R577 PolarHBondContact O-N 3.14Å |
| 574 | K | 94.1 | Very high | 88 | Confident | 144 Ų | 144 | 115.1 Ų | 115.1 | 63% | 0.626 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -75.7 | -45.1 | 169.8 | -78.2 | 175.1 | 177.2 | -179.1 | 0 | 111.4 | A570 I571 R577 V578 | A570-K574 WeakPolarHBondContact O-CG 3.25Å; A570-K574 PolarHBondContact O-N 2.93Å; I571-K574 CarbonylContact O-C 3.53Å; I571-K574 WeakPolarHBondContact O-CA 3.35Å; I571-K574 WeakPolarHBondContact O-CB 3.44Å; I571-K574 PolarHBondContact O-N 3.43Å; K574-R577 WeakPolarHBondContact O-CB 3.22Å; K574-R577 PolarHBondContact O-N 3.42Å; K574-R577 VanDerWaalsContact O-N 3.14Å; K574-V578 WeakPolarHBondContact O-CG2 3.34Å; K574-V578 PolarHBondContact O-N 2.89Å |
| 575 | E | 92.8 | Very high | 86 | Confident | 108 Ų | 108 | 119 Ų | 119 | 51% | 0.505 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -56.1 | -51.5 | 176 | -70 | 166.6 | 160.9 | 0 | 0 | 110.5 | I571 K572 R577 V578 E579 | I571-E575 HydrophobicContact CG2-CG 4.22Å; I571-E575 WeakPolarHBondContact CG2-OE1 3.38Å; I571-E575 WeakPolarHBondContact O-CG 3.41Å; I571-E575 PolarHBondContact O-N 3.09Å; K572-E575 WeakPolarHBondContact CA-OE2 3.23Å; K572-E575 PolarHBondContact O-N 3.21Å; E575-R577 VanDerWaalsContact C-N 3.28Å; E575-R577 PolarHBondContact O-N 2.99Å; E575-V578 CarbonylContact O-C 3.55Å; E575-V578 WeakPolarHBondContact O-CA 3.47Å; E575-V578 WeakPolarHBondContact O-CB 3.48Å; E575-V578 PolarHBondContact O-N 3.25Å; E575-E579 WeakPolarHBondContact O-CG 3.34Å; E575-E579 PolarHBondContact O-N 2.78Å |
| 576 | Q | 91.9 | Very high | 83.7 | Confident | 106 Ų | 106 | 119.6 Ų | 119.6 | 50% | 0.495 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -58.3 | -36.3 | 176 | -169.5 | -175.9 | 23 | 0 | 0 | 113.3 | K572 Q580 | K572-Q576 WeakPolarHBondContact O-CB 3.42Å; K572-Q576 PolarHBondContact O-N 3.47Å; Q576-Q580 WeakPolarHBondContact O-CB 3.35Å; Q576-Q580 VanDerWaalsContact O-CG 3.25Å; Q576-Q580 WeakPolarHBondContact O-CG 3.37Å; Q576-Q580 PolarHBondContact O-N 3Å |
| 577 | R | 89.9 | Confident | 81.7 | Confident | 176 Ų | 176 | 123 Ų | 123 | 66% | 0.664 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.6 | -35.9 | 174.3 | -74.4 | 171.3 | -175.2 | -170.5 | 2 | 112.1 | K573 K574 E575 M581 | K573-R577 WeakPolarHBondContact O-CD 3.45Å; K573-R577 WeakPolarHBondContact O-CG 3.34Å; K573-R577 PolarHBondContact O-N 3.14Å; K574-R577 WeakPolarHBondContact O-CB 3.22Å; K574-R577 PolarHBondContact O-N 3.42Å; K574-R577 VanDerWaalsContact O-N 3.14Å; E575-R577 VanDerWaalsContact C-N 3.28Å; E575-R577 PolarHBondContact O-N 2.99Å; R577-M581 WeakPolarHBondContact O-CB 3.35Å; R577-M581 PolarHBondContact O-N 3.06Å |
| 578 | V | 88.6 | Confident | 79.4 | Confident | 78 Ų | 78 | 126.2 Ų | 126.2 | 47% | 0.473 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68.1 | -45.8 | 173.8 | 170.5 | 0 | 0 | 0 | 0 | 110.1 | K574 E575 Q580 M581 T582 | K574-V578 WeakPolarHBondContact O-CG2 3.34Å; K574-V578 PolarHBondContact O-N 2.89Å; E575-V578 CarbonylContact O-C 3.55Å; E575-V578 WeakPolarHBondContact O-CA 3.47Å; E575-V578 WeakPolarHBondContact O-CB 3.48Å; E575-V578 PolarHBondContact O-N 3.25Å; V578-Q580 VanDerWaalsContact C-N 3.34Å; V578-Q580 PolarHBondContact O-N 2.87Å; V578-M581 CarbonylContact O-C 3.56Å; V578-M581 PolarHBondContact O-N 3.26Å; V578-M581 VanDerWaalsContact O-N 3.15Å; V578-T582 WeakPolarHBondContact O-CB 3.34Å; V578-T582 PolarHBondContact O-N 3.26Å; V578-T582 PolarHBondContact O-OG1 3.21Å |
| 579 | E | 85.4 | Confident | 77.3 | Confident | 136 Ų | 136 | 127.9 Ų | 127.9 | 64% | 0.636 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -55.8 | -46.6 | 173.2 | -71.5 | 176.7 | 159.8 | 0 | 0 | 111.8 | E575 T582 R583 | E575-E579 WeakPolarHBondContact O-CG 3.34Å; E575-E579 PolarHBondContact O-N 2.78Å; E579-T582 PolarHBondContact O-N 2.81Å; E579-R583 WeakPolarHBondContact O-CB 3.37Å; E579-R583 PolarHBondContact O-N 3.5Å |
| 580 | Q | 81.6 | Confident | 75 | Confident | 105 Ų | 105 | 131.5 Ų | 131.5 | 49% | 0.491 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -58.5 | -48.8 | 173.7 | -75 | 172.1 | 9.6 | 0 | 0 | 111.6 | Q576 V578 T582 R583 W584 | Q576-Q580 WeakPolarHBondContact O-CB 3.35Å; Q576-Q580 VanDerWaalsContact O-CG 3.25Å; Q576-Q580 WeakPolarHBondContact O-CG 3.37Å; Q576-Q580 PolarHBondContact O-N 3Å; V578-Q580 VanDerWaalsContact C-N 3.34Å; V578-Q580 PolarHBondContact O-N 2.87Å; Q580-T582 VanDerWaalsContact C-N 3.31Å; Q580-T582 PolarHBondContact O-N 2.87Å; Q580-R583 PolarHBondContact O-N 3.42Å; Q580-W584 PolarHBondContact O-N 2.77Å |
| 581 | M | 75.1 | Confident | 72.8 | Confident | 117 Ų | 117 | 137.3 Ų | 137.3 | 58% | 0.576 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.1 | -27.8 | -179.8 | -174.3 | 165.1 | 55.6 | 0 | 0 | 113.4 | R577 V578 W584 | R577-M581 WeakPolarHBondContact O-CB 3.35Å; R577-M581 PolarHBondContact O-N 3.06Å; V578-M581 CarbonylContact O-C 3.56Å; V578-M581 PolarHBondContact O-N 3.26Å; V578-M581 VanDerWaalsContact O-N 3.15Å; M581-W584 PolarHBondContact O-N 3.15Å |
| 582 | T | 73.3 | Confident | 70.7 | Confident | 83 Ų | 83 | 142.3 Ų | 142.3 | 51% | 0.509 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -79.3 | -31.9 | 173.9 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | V578 E579 Q580 W584 K585 | V578-T582 WeakPolarHBondContact O-CB 3.34Å; V578-T582 PolarHBondContact O-N 3.26Å; V578-T582 PolarHBondContact O-OG1 3.21Å; E579-T582 PolarHBondContact O-N 2.81Å; Q580-T582 VanDerWaalsContact C-N 3.31Å; Q580-T582 PolarHBondContact O-N 2.87Å; T582-W584 PolarHBondContact O-N 2.85Å; T582-K585 CarbonylContact O-C 3.54Å; T582-K585 WeakPolarHBondContact O-CA 3.36Å; T582-K585 WeakPolarHBondContact O-CB 3.45Å; T582-K585 PolarHBondContact O-N 3.34Å |
| 583 | R | 65.9 | Low | 68.6 | Low | 217 Ų | 217 | 144 Ų | 144 | 82% | 0.819 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -65.8 | -20.8 | 169.4 | -170.3 | 178.9 | 179.6 | -154.9 | -1.1 | 112.9 | E579 Q580 K585 | E579-R583 WeakPolarHBondContact O-CB 3.37Å; E579-R583 PolarHBondContact O-N 3.5Å; Q580-R583 PolarHBondContact O-N 3.42Å; R583-K585 VanDerWaalsContact C-N 3.27Å |
| 584 | W | 55.2 | Low | 66 | Low | 218 Ų | 218 | 148.3 Ų | 148.3 | 83% | 0.826 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 10.9 | 166.2 | -67.5 | 110.8 | 0 | 0 | 0 | 113.5 | Q580 M581 T582 | Q580-W584 PolarHBondContact O-N 2.77Å; M581-W584 PolarHBondContact O-N 3.15Å; T582-W584 PolarHBondContact O-N 2.85Å |
| 585 | K | 55.3 | Low | 63.6 | Low | 149 Ų | 149 | 147.5 Ų | 147.5 | 65% | 0.648 | 69% | 0.691 | S | S | * | * | trans | -130.2 | 49.5 | -178.7 | -72 | -171 | 172 | -169.2 | 0 | 113.6 | T582 R583 | T582-K585 CarbonylContact O-C 3.54Å; T582-K585 WeakPolarHBondContact O-CA 3.36Å; T582-K585 WeakPolarHBondContact O-CB 3.45Å; T582-K585 PolarHBondContact O-N 3.34Å; R583-K585 VanDerWaalsContact C-N 3.27Å | ||
| 586 | D | 47 | Very low | 61.6 | Low | 129 Ų | 129 | 147.9 Ų | 147.9 | 69% | 0.69 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -91.4 | 164 | 153.3 | -90 | -49.8 | 0 | 0 | 0 | 110.3 | I588 | D586-I588 PolarHBondContact O-N 2.96Š|
| 587 | P | 51.8 | Low | 59.3 | Low | 110 Ų | 110 | 148.5 Ų | 148.5 | 71% | 0.714 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -84.1 | 82.6 | -134.5 | 30.6 | -37.9 | 0 | 0 | 0 | 115.7 | ||
| 588 | I | 48.5 | Very low | 56.9 | Low | 148 Ų | 148 | 144.4 Ų | 144.4 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -117.8 | -9.6 | 165.5 | -63 | -179.3 | 0 | 0 | 0 | 112.4 | D586 | D586-I588 PolarHBondContact O-N 2.96Š|
| 589 | F | 53 | Low | 54.6 | Low | 164 Ų | 164 | 146.4 Ų | 146.4 | 72% | 0.719 | 74% | 0.74 | S | S | * | * | trans | -110.1 | 38.9 | -178.8 | -73 | -76.7 | 0 | 0 | 0 | 114.6 | ||||
| 590 | Q | 47 | Very low | 52.7 | Low | 184 Ų | 184 | 149.7 Ų | 149.7 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | trans | -91.4 | 13.2 | 174.1 | -150.5 | -177.2 | 9.4 | 0 | 0 | 113.8 | ||||
| 591 | E | 48.2 | Very low | 50.7 | Low | 174 Ų | 174 | 151.4 Ų | 151.4 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -118.3 | 15.3 | -168.9 | -153.2 | 162.2 | -141 | 0 | 0 | 115.9 | ||
| 592 | F | 50.6 | Low | 48.9 | Very low | 186 Ų | 186 | 152.7 Ų | 152.7 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | trans | -123.2 | 53.4 | 173.2 | -68.4 | -73.1 | 0 | 0 | 0 | 113.3 | ||||
| 593 | Q | 50.3 | Low | 47.3 | Very low | 186 Ų | 186 | 159.7 Ų | 159.7 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | -124.2 | 66.9 | 171.1 | -164.5 | 177.6 | 73.3 | 0 | 0 | 111.6 | ||||
| 594 | K | 41.3 | Very low | 46 | Very low | 197 Ų | 197 | 154 Ų | 154 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | trans | -174.6 | 130.5 | -178.3 | -100.6 | 155.6 | -174.5 | 174.7 | 0 | 105.1 | ||||
| 595 | V | 43.6 | Very low | 45.2 | Very low | 126 Ų | 126 | 152.7 Ų | 152.7 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | cis | -161.9 | 173.5 | -2.3 | -178.7 | 0 | 0 | 0 | 0 | 105 | ||||
| 596 | P | 49.7 | Very low | 44.5 | Very low | 116 Ų | 116 | 152.3 Ų | 152.3 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | cis | -113.6 | -174.9 | -27.2 | 23 | -0.4 | 0 | 0 | 0 | 113.5 | ||||
| 597 | S | 44.4 | Very low | 44.3 | Very low | 120 Ų | 120 | 156.2 Ų | 156.2 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -81.2 | 128.7 | 160.5 | 175.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 598 | A | 38.7 | Very low | 43.9 | Very low | 90 Ų | 90 | 157.4 Ų | 157.4 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | trans | -172.8 | 109.9 | 150.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 599 | S | 40.2 | Very low | 43.6 | Very low | 120 Ų | 120 | 154.4 Ų | 154.4 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | 179 | 143.9 | 130.2 | 36.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 600 | K | 45.5 | Very low | 43.1 | Very low | 205 Ų | 205 | 151 Ų | 151 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | trans | -105.7 | 125.1 | 175.3 | -65.5 | 178.5 | 179.1 | 178.9 | 0 | 109.3 | ||||
| 601 | T | 40.8 | Very low | 42.6 | Very low | 141 Ų | 141 | 149.4 Ų | 149.4 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | -146 | 69.6 | 156.2 | 1.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 602 | D | 37.4 | Very low | 42.2 | Very low | 143 Ų | 143 | 147.8 Ų | 147.8 | 77% | 0.765 | 80% | 0.8 | S | S | * | * | trans | -13.2 | 122.3 | 140.6 | 177 | 20.2 | 0 | 0 | 0 | 115.1 | ||||
| 603 | R | 39.3 | Very low | 41.8 | Very low | 230 Ų | 230 | 146.2 Ų | 146.2 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | trans | -164 | 123.7 | 136.9 | -110.9 | 169.5 | -168 | -149 | -0.9 | 113.5 | ||||
| 604 | C | 37.3 | Very low | 41.6 | Very low | 97 Ų | 97 | 145.1 Ų | 145.1 | 66% | 0.655 | 79% | 0.794 | S | S | * | * | trans | 35 | 105.3 | 154 | -55.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 605 | F | 39.7 | Very low | 41.7 | Very low | 191 Ų | 191 | 140.9 Ų | 140.9 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | -62.1 | 140.8 | 127.4 | -82.6 | -100.4 | 0 | 0 | 0 | 108.6 | |||||
| 606 | D | 39.4 | Very low | 41.7 | Very low | 141 Ų | 141 | 138.9 Ų | 138.9 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | -136.7 | 124.7 | 152.2 | -92.9 | -53.4 | 0 | 0 | 0 | 109.1 | ||||
| 607 | Y | 43.7 | Very low | 41.3 | Very low | 212 Ų | 212 | 141.6 Ų | 141.6 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | trans | -87.8 | 122.8 | 170.6 | -108 | -102.2 | 0 | 0 | 0 | 108 | ||||
| 608 | V | 42.6 | Very low | 41.1 | Very low | 135 Ų | 135 | 144.3 Ų | 144.3 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -125.4 | 114 | 161.9 | -177 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 609 | A | 42.8 | Very low | 41.4 | Very low | 85 Ų | 85 | 148.3 Ų | 148.3 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | trans | -122.2 | 141.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 610 | A | 42 | Very low | 41.5 | Very low | 91 Ų | 91 | 148.4 Ų | 148.4 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | 62.8 | 147.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 611 | E | 36.3 | Very low | 41.3 | Very low | 151 Ų | 151 | 142 Ų | 142 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | cis | -127.2 | 139.8 | 14.7 | -59.7 | -179.8 | 145.8 | 0 | 0 | 112.6 | Q613 | E611-Q613 HydrophobicContact CB-CG 4.35Å; E611-Q613 PolarHBondContact O-N 3.31Å; E611-Q613 PolarHBondContact OE2-NE2 3.39Å | ||
| 612 | T | 41.5 | Very low | 41.6 | Very low | 141 Ų | 141 | 143.1 Ų | 143.1 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | -90.2 | 83.5 | 169.3 | -46.9 | 0 | 0 | 0 | 0 | 110 | L614 | T612-L614 PolarHBondContact O-N 3.42Š| ||
| 613 | Q | 40.7 | Very low | 41.8 | Very low | 153 Ų | 153 | 150.6 Ų | 150.6 | 72% | 0.715 | 80% | 0.804 | S | S | * | * | trans | -68.6 | 125.6 | 176.6 | -64.9 | -169.8 | 6.2 | 0 | 0 | 111 | E611 P615 | E611-Q613 HydrophobicContact CB-CG 4.35Å; E611-Q613 PolarHBondContact O-N 3.31Å; E611-Q613 PolarHBondContact OE2-NE2 3.39Å; Q613-P615 WeakPolarHBondContact O-CD 3.38Å | ||
| 614 | L | 45.8 | Very low | 42 | Very low | 163 Ų | 163 | 146.7 Ų | 146.7 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -77 | 122.2 | 179.8 | -78.6 | 161.8 | 0 | 0 | 0 | 111.9 | T612 A616 | T612-L614 PolarHBondContact O-N 3.42Å; L614-A616 PolarHBondContact O-N 2.85Å | ||
| 615 | P | 44.5 | Very low | 42.2 | Very low | 107 Ų | 107 | 149.3 Ų | 149.3 | 70% | 0.695 | 81% | 0.809 | S | S | * | * | trans | -83.7 | 93.2 | 163.1 | -4.9 | 25 | 0 | 0 | 0 | 108.9 | Q613 H617 | Q613-P615 WeakPolarHBondContact O-CD 3.38Å; P615-H617 VanDerWaalsContact C-N 3.28Å; P615-H617 PolarHBondContact O-N 3.32Å | ||
| 616 | A | 43.8 | Very low | 42.3 | Very low | 85 Ų | 85 | 146.9 Ų | 146.9 | 70% | 0.702 | 81% | 0.807 | S | S | * | * | trans | -73.2 | 78.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L614 H618 | L614-A616 PolarHBondContact O-N 2.85Å; A616-H618 PolarHBondContact O-N 2.91Å; A616-H618 VanDerWaalsContact O-N 3.09Å | ||
| 617 | H | 41.2 | Very low | 42.5 | Very low | 173 Ų | 173 | 147.3 Ų | 147.3 | 80% | 0.801 | 81% | 0.81 | S | S | * | * | trans | -74.3 | 100.2 | 177 | -98 | -76.7 | 0 | 0 | 0 | 112 | P615 L619 | P615-H617 VanDerWaalsContact C-N 3.28Å; P615-H617 PolarHBondContact O-N 3.32Å; H617-L619 PolarHBondContact O-N 3.04Å | ||
| 618 | H | 40 | Very low | 42.4 | Very low | 176 Ų | 176 | 143.3 Ų | 143.3 | 82% | 0.815 | 81% | 0.809 | S | S | * | * | trans | -59.1 | 122.1 | 164.5 | -76.2 | -107.3 | 0 | 0 | 0 | 110.4 | A616 | A616-H618 PolarHBondContact O-N 2.91Å; A616-H618 VanDerWaalsContact O-N 3.09Å | ||
| 619 | L | 45.1 | Very low | 42.4 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | trans | -91.2 | 95.5 | 163.3 | -85.2 | 169.6 | 0 | 0 | 0 | 109.7 | H617 G621 | H617-L619 PolarHBondContact O-N 3.04Å; L619-G621 PolarHBondContact O-N 2.9Å | ||
| 620 | S | 42.2 | Very low | 42.4 | Very low | 123 Ų | 123 | 148 Ų | 148 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -72.4 | 99 | 159.1 | 54.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 621 | G | 41.1 | Very low | 42.4 | Very low | 71 Ų | 71 | 152.4 Ų | 152.4 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | trans | -142.2 | 101.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L619 | L619-G621 PolarHBondContact O-N 2.9Š| ||
| 622 | I | 47 | Very low | 42.9 | Very low | 163 Ų | 163 | 152.5 Ų | 152.5 | 84% | 0.836 | 83% | 0.83 | S | S | * | * | trans | -78.1 | 126.5 | 171.8 | -64.3 | 164.7 | 0 | 0 | 0 | 108.4 | ||||
| 623 | Y | 42.4 | Very low | 43.1 | Very low | 301 Ų | 301 | 153.5 Ų | 153.5 | 100% | 1.18 | 83% | 0.827 | S | S | * | * | trans | -164 | 0 | 137.6 | -99.7 | -63.3 | 0 | 0 | 0 | 110.6 |
Retrieved 623 of 623 residues in 536.8 ms
(Link to these results)