| 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 | 41.4 | Very low | 40.9 | Very low | 239 Ų | 239 | 137.3 Ų | 137.3 | 100% | 1.177 | 79% | 0.792 | S | S | * | * | 0 | 123 | 0 | -49.6 | -173 | -156.4 | 0 | 0 | 105.5 | |||||
| 2 | A | 38.3 | Very low | 41 | Very low | 100 Ų | 100 | 145.5 Ų | 145.5 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | 63.4 | 124.8 | 64 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 3 | A | 40.2 | Very low | 41 | Very low | 82 Ų | 82 | 144.6 Ų | 144.6 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | cis | -147.6 | 153.6 | 5.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 4 | L | 43.2 | Very low | 41.1 | Very low | 152 Ų | 152 | 143.4 Ų | 143.4 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | 55.2 | 141.2 | 86 | -47.7 | 177.7 | 0 | 0 | 0 | 114.4 | |||||
| 5 | L | 45.3 | Very low | 41 | Very low | 118 Ų | 118 | 149.3 Ų | 149.3 | 62% | 0.618 | 79% | 0.79 | S | S | * | * | cis | -172.8 | 167.7 | -2.9 | -117.4 | 176.1 | 0 | 0 | 0 | 111.8 | ||||
| 6 | R | 44.7 | Very low | 40.7 | Very low | 214 Ų | 214 | 144.4 Ų | 144.4 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | trans | 68.5 | 144.5 | 157.7 | -64.5 | 152.1 | -175.7 | 165.7 | 0.7 | 118.2 | ||||
| 7 | G | 39.7 | Very low | 40.8 | Very low | 66 Ų | 66 | 146.5 Ų | 146.5 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | cis | 135.6 | 163.1 | -17.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 8 | L | 39.2 | Very low | 40.4 | Very low | 148 Ų | 148 | 144.8 Ų | 144.8 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | trans | 68.9 | 150.8 | 157.5 | -62.1 | 152.2 | 0 | 0 | 0 | 118.4 | ||||
| 9 | R | 42 | Very low | 40.2 | Very low | 225 Ų | 225 | 142.9 Ų | 142.9 | 85% | 0.849 | 80% | 0.795 | S | S | * | * | cis | -172.3 | 152.3 | -29.9 | -147.1 | -172.6 | -163.3 | 166.7 | 2.4 | 110.1 | ||||
| 10 | A | 41.5 | Very low | 39.9 | Very low | 100 Ų | 100 | 141.9 Ų | 141.9 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | 66 | 155.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 11 | G | 34.2 | Very low | 39.7 | Very low | 66 Ų | 66 | 141.8 Ų | 141.8 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | cis | 150.1 | 168.2 | -12.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 12 | R | 42.3 | Very low | 39.3 | Very low | 236 Ų | 236 | 135 Ų | 135 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | trans | 72.3 | 158.2 | 176.9 | -56.7 | -179.5 | -177.1 | -121.1 | 1 | 115 | ||||
| 13 | L | 40.9 | Very low | 39.3 | Very low | 134 Ų | 134 | 135 Ų | 135 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | cis | -165.8 | -171.6 | -20.5 | -101.1 | 174 | 0 | 0 | 0 | 106.1 | ||||
| 14 | L | 42.3 | Very low | 39.6 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 67% | 0.665 | 78% | 0.781 | S | S | * | * | cis | -162.6 | 151.1 | 8.3 | -133 | 164.2 | 0 | 0 | 0 | 108.3 | ||||
| 15 | R | 39.9 | Very low | 39.2 | Very low | 232 Ų | 232 | 135.4 Ų | 135.4 | 88% | 0.875 | 78% | 0.779 | S | S | * | * | trans | 69.2 | 147 | 170.1 | -61.4 | 162 | 176.6 | 168.4 | -3.8 | 116.6 | ||||
| 16 | G | 35.9 | Very low | 38.7 | Very low | 71 Ų | 71 | 135 Ų | 135 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | cis | 107.9 | 116.2 | -11.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 17 | L | 42.6 | Very low | 38.3 | Very low | 180 Ų | 180 | 131.7 Ų | 131.7 | 94% | 0.942 | 79% | 0.79 | S | S | * | * | trans | -157.5 | 164.8 | 164.5 | -104.2 | 176.1 | 0 | 0 | 0 | 110.3 | ||||
| 18 | S | 34 | Very low | 38.4 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -132.9 | 141.2 | -165.7 | -48.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 19 | S | 35.8 | Very low | 38.5 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -164.3 | 125.9 | 156 | -168.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 20 | V | 34.8 | Very low | 38.1 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 74% | 0.739 | 80% | 0.797 | S | S | * | * | cis | 92.8 | 110.8 | 40 | 175.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 21 | V | 34.9 | Very low | 37.5 | Very low | 139 Ų | 139 | 133.2 Ų | 133.2 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | trans | 60 | 114.8 | 157.7 | 175.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 22 | A | 33.4 | Very low | 37.5 | Very low | 98 Ų | 98 | 134.8 Ų | 134.8 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | -174.2 | 150.4 | 112.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 23 | A | 38.3 | Very low | 37.2 | Very low | 98 Ų | 98 | 128.2 Ų | 128.2 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | -141.1 | 141.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 24 | P | 46.4 | Very low | 37.2 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -118.1 | 120.6 | 164.5 | 33.7 | -21.3 | 0 | 0 | 0 | 113.1 | ||||
| 25 | T | 34.8 | Very low | 36.9 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 77% | 0.767 | 81% | 0.812 | S | S | * | * | trans | 13.5 | 109.5 | 141.8 | 53.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 26 | S | 34.6 | Very low | 36.8 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | 33 | 120.7 | 125.4 | 62.3 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 27 | T | 37 | Very low | 36.7 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | trans | -143.1 | 124.8 | 134.3 | -22.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 28 | T | 42.5 | Very low | 36.3 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -92.2 | 155.8 | 165 | 35.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 29 | P | 39.9 | Very low | 36.2 | Very low | 125 Ų | 125 | 139 Ų | 139 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | -116.4 | 111.1 | 145.3 | 22.7 | -6.6 | 0 | 0 | 0 | 109.8 | ||||
| 30 | Q | 33.2 | Very low | 35.9 | Very low | 186 Ų | 186 | 139.5 Ų | 139.5 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | trans | -71.4 | 132.2 | 155.7 | -70.1 | 175.2 | -40.9 | 0 | 0 | 107.8 | ||||
| 31 | C | 30.8 | Very low | 35.7 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 91% | 0.912 | 82% | 0.815 | S | S | * | * | trans | -118.2 | 98.3 | 162.2 | -159.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 32 | S | 34.1 | Very low | 35.7 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 69% | 0.685 | 81% | 0.813 | S | S | * | * | trans | -90.4 | 131.9 | -174.6 | 53.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 33 | S | 34.5 | Very low | 35.8 | Very low | 99 Ų | 99 | 140.2 Ų | 140.2 | 69% | 0.692 | 82% | 0.817 | S | S | * | * | trans | 51.6 | 103.9 | 149.4 | 61.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 34 | L | 41.6 | Very low | 35.4 | Very low | 161 Ų | 161 | 146.4 Ų | 146.4 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | trans | -117 | 85.2 | 143.8 | -86.1 | 173.7 | 0 | 0 | 0 | 110.4 | R36 | L34-R36 PolarHBondContact O-N 3.41Š| ||
| 35 | R | 36.5 | Very low | 34.7 | Very low | 250 Ų | 250 | 149 Ų | 149 | 94% | 0.943 | 83% | 0.826 | S | S | * | * | trans | -73.6 | 106.4 | 162.1 | -91.2 | -173 | 167.5 | -155.7 | -1.8 | 109.1 | ||||
| 36 | R | 38.1 | Very low | 34.5 | Very low | 226 Ų | 226 | 151 Ų | 151 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | -159.6 | 131.1 | 163.4 | -153.9 | 178.2 | -66.4 | -160.1 | 2.1 | 108 | L34 | L34-R36 PolarHBondContact O-N 3.41Š| ||
| 37 | G | 32.3 | Very low | 34.3 | Very low | 65 Ų | 65 | 152.2 Ų | 152.2 | 67% | 0.67 | 82% | 0.824 | S | S | * | * | cis | 172.5 | 57.6 | -3.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 38 | F | 33.8 | Very low | 33.9 | Very low | 207 Ų | 207 | 153.9 Ų | 153.9 | 91% | 0.908 | 82% | 0.822 | S | S | * | * | trans | -78.2 | 119.9 | -178.4 | -66.3 | -75.3 | 0 | 0 | 0 | 111.6 | ||||
| 39 | H | 33.6 | Very low | 33.4 | Very low | 178 Ų | 178 | 152.4 Ų | 152.4 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | -144.6 | 147.2 | 172.3 | -104.4 | -78.7 | 0 | 0 | 0 | 111 | ||||
| 40 | C | 29.8 | Very low | 32.9 | Very low | 119 Ų | 119 | 155.9 Ų | 155.9 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | 67.4 | 87 | 160.9 | -61.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 41 | A | 30.3 | Very low | 32.7 | Very low | 107 Ų | 107 | 151.5 Ų | 151.5 | 88% | 0.884 | 81% | 0.809 | S | S | * | * | trans | -135 | 70.7 | 135.8 | 0 | 0 | 0 | 0 | 0 | 109 | L43 | A41-L43 PolarHBondContact O-N 3.32Š| ||
| 42 | A | 33.4 | Very low | 32.6 | Very low | 96 Ų | 96 | 152.4 Ų | 152.4 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | trans | -84.9 | 110.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110 | R44 | A42-R44 PolarHBondContact O-N 3.2Š| ||
| 43 | L | 35.9 | Very low | 32.6 | Very low | 171 Ų | 171 | 156.6 Ų | 156.6 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | trans | -67.7 | 124.2 | 173.8 | -70.4 | 172.6 | 0 | 0 | 0 | 110.1 | A41 L45 | A41-L43 PolarHBondContact O-N 3.32Å; L43-L45 PolarHBondContact O-N 3.42Å | ||
| 44 | R | 31 | Very low | 32.3 | Very low | 229 Ų | 229 | 160.3 Ų | 160.3 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -75.4 | 103.7 | 166.1 | -78.6 | -176.6 | 175.1 | 151.7 | -2.7 | 109 | A42 | A42-R44 PolarHBondContact O-N 3.2Š| ||
| 45 | L | 30.1 | Very low | 31.7 | Very low | 172 Ų | 172 | 157.5 Ų | 157.5 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | trans | -79.7 | 117.5 | 149.4 | -74.8 | 168.7 | 0 | 0 | 0 | 107.4 | L43 | L43-L45 PolarHBondContact O-N 3.42Š| ||
| 46 | Q | 31.4 | Very low | 31.4 | Very low | 168 Ų | 168 | 150 Ų | 150 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -112.2 | 114 | 158.8 | -97.3 | 179.6 | -76.7 | 0 | 0 | 107.5 | ||||
| 47 | D | 30.5 | Very low | 30.9 | Very low | 133 Ų | 133 | 144.3 Ų | 144.3 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | -63.8 | 143.2 | 159 | 179 | 25 | 0 | 0 | 0 | 109.2 | S49 | D47-S49 PolarHBondContact OD1-N 3.03Š| ||
| 48 | E | 29.2 | Very low | 30.8 | Very low | 180 Ų | 180 | 146.5 Ų | 146.5 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | trans | -164.8 | 88.1 | 158.4 | -100.9 | -56.9 | 95.3 | 0 | 0 | 107.6 | ||||
| 49 | S | 31 | Very low | 30.7 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 66% | 0.664 | 79% | 0.791 | S | S | * | * | trans | -74.7 | 128.2 | 167 | 67.6 | 0 | 0 | 0 | 0 | 111.3 | D47 | D47-S49 PolarHBondContact OD1-N 3.03Š| ||
| 50 | K | 29.4 | Very low | 30.5 | Very low | 198 Ų | 198 | 137.9 Ų | 137.9 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | -170 | 154.8 | 136.7 | -148.4 | 154.2 | 179.5 | 173.6 | 0 | 114.7 | ||||
| 51 | S | 29.7 | Very low | 30.5 | Very low | 94 Ų | 94 | 137.4 Ų | 137.4 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | trans | -54.4 | 156.2 | 164.7 | -36.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 52 | D | 29.1 | Very low | 30.6 | Very low | 154 Ų | 154 | 137.2 Ų | 137.2 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | -158.6 | 167.5 | 75 | -102.2 | -39.1 | 0 | 0 | 0 | 116.1 | |||||
| 53 | K | 32.6 | Very low | 30.5 | Very low | 186 Ų | 186 | 138.3 Ų | 138.3 | 81% | 0.809 | 78% | 0.779 | S | S | * | * | trans | -68.9 | 153 | 168.7 | -61.8 | 170.5 | 177.8 | 173 | 0 | 110.2 | ||||
| 54 | H | 28.7 | Very low | 30.3 | Very low | 178 Ų | 178 | 136 Ų | 136 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | -162.5 | 148.6 | 122 | -118 | -82.3 | 0 | 0 | 0 | 116.1 | |||||
| 55 | S | 28.8 | Very low | 30.4 | Very low | 101 Ų | 101 | 130.8 Ų | 130.8 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | 1 | 142.7 | 161.7 | 44.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 56 | A | 29.7 | Very low | 30.5 | Very low | 92 Ų | 92 | 128.6 Ų | 128.6 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | trans | -78.5 | -178.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 57 | S | 29.1 | Very low | 30.5 | Very low | 107 Ų | 107 | 126.4 Ų | 126.4 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | 105.5 | 147.2 | 147.9 | 79.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 58 | S | 30.8 | Very low | 30.6 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | 64.3 | 143.7 | 171.1 | 56.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 59 | S | 31 | Very low | 30.7 | Very low | 97 Ų | 97 | 122.1 Ų | 122.1 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | cis | -169.8 | 163.8 | -12.2 | 46.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 60 | S | 28.8 | Very low | 30.7 | Very low | 107 Ų | 107 | 123.3 Ų | 123.3 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | 48.6 | 130.9 | 150.2 | 61.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 61 | S | 30.9 | Very low | 30.9 | Very low | 109 Ų | 109 | 120.1 Ų | 120.1 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | cis | -171.9 | -173.2 | 32.8 | 62.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 62 | S | 32.1 | Very low | 31.1 | Very low | 102 Ų | 102 | 123.7 Ų | 123.7 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | cis | -157.4 | 161.4 | -0.4 | 11.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 63 | S | 30.2 | Very low | 31.3 | Very low | 119 Ų | 119 | 124.5 Ų | 124.5 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -52.9 | 144.1 | 174.7 | 53.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 64 | S | 33.4 | Very low | 31.3 | Very low | 124 Ų | 124 | 123.2 Ų | 123.2 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | -141.7 | 152.8 | 133.3 | 63.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 65 | S | 31.1 | Very low | 31.7 | Very low | 119 Ų | 119 | 125 Ų | 125 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -130 | 142.6 | -169.5 | 51.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 66 | S | 32.8 | Very low | 32 | Very low | 125 Ų | 125 | 125.2 Ų | 125.2 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -146.9 | 143.6 | 158.1 | 53.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 67 | S | 31.7 | Very low | 32.4 | Very low | 122 Ų | 122 | 125.5 Ų | 125.5 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -143.1 | 135.6 | -168.3 | 56.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 68 | S | 32.4 | Very low | 32.8 | Very low | 116 Ų | 116 | 128.9 Ų | 128.9 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -147.7 | 97.5 | 170.1 | 53.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 69 | S | 31.9 | Very low | 33.3 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -42.2 | 163.2 | 149 | 46.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 70 | T | 30.5 | Very low | 33.5 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | cis | 178.8 | 142.5 | -11.2 | -86.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 71 | T | 32.9 | Very low | 33.7 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -170.7 | 141.5 | 135.6 | 21.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 72 | H | 35.1 | Very low | 34.1 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 78% | 0.778 | 80% | 0.804 | S | S | * | * | trans | -82 | 153.4 | 151.5 | -80.3 | -126.2 | 0 | 0 | 0 | 108.2 | ||||
| 73 | D | 32.7 | Very low | 34.8 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 91% | 0.914 | 80% | 0.804 | S | S | * | * | trans | -140.9 | 142.7 | 138.9 | -103.3 | -46.3 | 0 | 0 | 0 | 108.7 | ||||
| 74 | E | 33.6 | Very low | 35.6 | Very low | 160 Ų | 160 | 140.7 Ų | 140.7 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -119.6 | 118.7 | -170.3 | -176 | -178.6 | 131.2 | 0 | 0 | 108.5 | ||||
| 75 | Y | 36.2 | Very low | 36 | Very low | 216 Ų | 216 | 139.5 Ų | 139.5 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | trans | -131.8 | 100.1 | 177.5 | -136.7 | -90.5 | 0 | 0 | 0 | 111.5 | ||||
| 76 | T | 35.2 | Very low | 36.6 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 64% | 0.638 | 79% | 0.788 | S | S | * | * | trans | -76.5 | 121.7 | 171 | -67.5 | 0 | 0 | 0 | 0 | 109.3 | Q78 | T76-Q78 HydrophobicContact CG2-CG 4.2Š| ||
| 77 | S | 38.4 | Very low | 37.1 | Very low | 99 Ų | 99 | 138.4 Ų | 138.4 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | -121.5 | 104.1 | 166.4 | -70.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 78 | Q | 37.8 | Very low | 37.8 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -73.8 | 134.7 | 168.6 | -67.8 | 166.9 | -39.3 | 0 | 0 | 108.5 | T76 | T76-Q78 HydrophobicContact CG2-CG 4.2Š| ||
| 79 | Q | 39.9 | Very low | 38.3 | Very low | 185 Ų | 185 | 143.8 Ų | 143.8 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -129.7 | 134.5 | 164.2 | -73.8 | -170.8 | -31.2 | 0 | 0 | 108.1 | ||||
| 80 | D | 36.1 | Very low | 39.2 | Very low | 167 Ų | 167 | 145.8 Ų | 145.8 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | trans | -71.6 | 145.3 | -170.2 | -61 | -79.5 | 0 | 0 | 0 | 112.5 | ||||
| 81 | F | 33.8 | Very low | 40.2 | Very low | 192 Ų | 192 | 147.1 Ų | 147.1 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | trans | -96.9 | 109.2 | -179 | -162.7 | -83 | 0 | 0 | 0 | 108.8 | P83 | F81-P83 HydrophobicContact CD1-CB 4.36Å; F81-P83 HydrophobicContact CE1-CB 4.34Å; F81-P83 WeakPolarHBondContact O-CD 3.49Å | ||
| 82 | D | 37.6 | Very low | 41.4 | Very low | 140 Ų | 140 | 146.5 Ų | 146.5 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | trans | -100.2 | 103.3 | 179 | -170.3 | 3.8 | 0 | 0 | 0 | 110.7 | S84 | D82-S84 VanDerWaalsContact C-N 3.34Å; D82-S84 PolarHBondContact O-N 2.8Å; D82-S84 VanDerWaalsContact O-N 3.07Å | ||
| 83 | P | 47.1 | Very low | 43.3 | Very low | 110 Ų | 110 | 146.2 Ų | 146.2 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | trans | -89.6 | 62.6 | -168.7 | 37.6 | -36.2 | 0 | 0 | 0 | 111.9 | F81 | F81-P83 HydrophobicContact CD1-CB 4.36Å; F81-P83 HydrophobicContact CE1-CB 4.34Å; F81-P83 WeakPolarHBondContact O-CD 3.49Å | ||
| 84 | S | 46.8 | Very low | 45.4 | Very low | 99 Ų | 99 | 146.7 Ų | 146.7 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | trans | -142.6 | 38.8 | -178.2 | -167.2 | 0 | 0 | 0 | 0 | 116.2 | D82 | D82-S84 VanDerWaalsContact C-N 3.34Å; D82-S84 PolarHBondContact O-N 2.8Å; D82-S84 VanDerWaalsContact O-N 3.07Å | ||
| 85 | S | 42.8 | Very low | 47.9 | Very low | 99 Ų | 99 | 142.7 Ų | 142.7 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | trans | -114.5 | 119.8 | 151.4 | -74.9 | 0 | 0 | 0 | 0 | 108.8 | D87 | S85-D87 VanDerWaalsContact C-N 3.32Å; S85-D87 PolarHBondContact O-N 2.87Å | ||
| 86 | G | 44 | Very low | 50.6 | Low | 80 Ų | 80 | 135.5 Ų | 135.5 | 83% | 0.825 | 72% | 0.724 | S | S | * | * | trans | -82.3 | 84.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | Q88 | G86-Q88 PolarHBondContact O-N 3.4Å; G86-Q88 VanDerWaalsContact O-N 3.08Å | ||
| 87 | D | 42.1 | Very low | 53.3 | Low | 141 Ų | 141 | 136.1 Ų | 136.1 | 75% | 0.754 | 72% | 0.72 | S | S | * | * | trans | -58.2 | 115.3 | 175.8 | -69 | -34.5 | 0 | 0 | 0 | 108.5 | S85 E89 | S85-D87 VanDerWaalsContact C-N 3.32Å; S85-D87 PolarHBondContact O-N 2.87Å; D87-E89 PolarHBondContact O-N 3.28Å | ||
| 88 | Q | 46.1 | Very low | 55.9 | Low | 168 Ų | 168 | 138.8 Ų | 138.8 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | trans | -71.9 | 112.5 | 167.4 | -70.8 | -178.7 | -19.1 | 0 | 0 | 106 | G86 Q90 | G86-Q88 PolarHBondContact O-N 3.4Å; G86-Q88 VanDerWaalsContact O-N 3.08Å; Q88-Q90 PolarHBondContact O-N 3.43Å | ||
| 89 | E | 44.8 | Very low | 58.5 | Low | 183 Ų | 183 | 135.4 Ų | 135.4 | 86% | 0.855 | 71% | 0.705 | S | S | * | * | trans | -59.7 | 86.1 | 169.2 | -67.5 | 171 | 145.5 | 0 | 0 | 108 | D87 D91 | D87-E89 PolarHBondContact O-N 3.28Å; E89-D91 PolarHBondContact O-N 3.28Å | ||
| 90 | Q | 49.8 | Very low | 61.1 | Low | 151 Ų | 151 | 128.6 Ų | 128.6 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | trans | -74.2 | 100.1 | 158.8 | -68.3 | -175.5 | 15.1 | 0 | 0 | 105 | Q88 E92 | Q88-Q90 PolarHBondContact O-N 3.43Å; Q90-E92 PolarHBondContact O-N 3.44Å | ||
| 91 | D | 50.9 | Low | 64 | Low | 147 Ų | 147 | 123.2 Ų | 123.2 | 79% | 0.786 | 64% | 0.644 | S | S | * | * | trans | -59.4 | 90.3 | 163.5 | -71.7 | -47.4 | 0 | 0 | 0 | 107.5 | E89 D93 | E89-D91 PolarHBondContact O-N 3.28Å; D91-D93 VanDerWaalsContact C-N 3.31Å; D91-D93 PolarHBondContact O-N 3.17Å | ||
| 92 | E | 59.6 | Low | 66.9 | Low | 118 Ų | 118 | 115.8 Ų | 115.8 | 55% | 0.551 | 62% | 0.619 | S | S | * | * | trans | -66.3 | 95.2 | 166.7 | -72.3 | -167.7 | 164.2 | 0 | 0 | 107.1 | Q90 Y94 | Q90-E92 PolarHBondContact O-N 3.44Å; E92-Y94 HydrophobicContact CB-CD1 4.45Å; E92-Y94 HydrophobicContact CB-CE1 3.88Å; E92-Y94 HydrophobicContact CB-CE2 4.03Å; E92-Y94 WeakPolarHBondContact O-CD2 3.28Å; E92-Y94 PolarHBondContact O-N 3.41Å; E92-Y94 VanDerWaalsContact OE2-CE1 3.25Å; E92-Y94 WeakPolarHBondContact OE2-CE1 3.5Å; E92-Y94 PolarHBondContact OE2-OH 3.19Å | ||
| 93 | D | 73.7 | Confident | 69.7 | Low | 162 Ų | 162 | 114.3 Ų | 114.3 | 87% | 0.866 | 60% | 0.602 | S | S | * | * | trans | -61.6 | 85.2 | 172.4 | -100.4 | -31.7 | 0 | 0 | 0 | 109.5 | D91 E95 | D91-D93 VanDerWaalsContact C-N 3.31Å; D91-D93 PolarHBondContact O-N 3.17Å; D93-E95 PolarHBondContact O-N 2.89Å | ||
| 94 | Y | 77.3 | Confident | 72.1 | Confident | 181 Ų | 181 | 109 Ų | 109 | 71% | 0.71 | 57% | 0.568 | S | S | * | * | trans | -67.5 | 99.2 | 178.8 | -64.7 | -64.6 | 0 | 0 | 0 | 110.5 | E92 T96 | E92-Y94 HydrophobicContact CB-CD1 4.45Å; E92-Y94 HydrophobicContact CB-CE1 3.88Å; E92-Y94 HydrophobicContact CB-CE2 4.03Å; E92-Y94 WeakPolarHBondContact O-CD2 3.28Å; E92-Y94 PolarHBondContact O-N 3.41Å; E92-Y94 VanDerWaalsContact OE2-CE1 3.25Å; E92-Y94 WeakPolarHBondContact OE2-CE1 3.5Å; E92-Y94 PolarHBondContact OE2-OH 3.19Å; Y94-T96 PolarHBondContact O-N 3.03Å | ||
| 95 | E | 85.6 | Confident | 74.5 | Confident | 77 Ų | 77 | 104.9 Ų | 104.9 | 36% | 0.36 | 54% | 0.538 | S | S | . | . | trans | -55.5 | 126.8 | 172.1 | -176.7 | 174.1 | -150.5 | 0 | 0 | 110.9 | D93 Q99 L100 R103 | D93-E95 PolarHBondContact O-N 2.89Å; E95-Q99 HydrophobicContact CG-CB 3.71Å; E95-L100 HydrophobicContact CG-CB 4.28Å; E95-R103 VanDerWaalsContact CD-CZ 3.46Å; E95-R103 IonicContact OE1-CZ 3.12Å; E95-R103 IonicContact OE1-NE 3.86Å; E95-R103 IonicContact OE1-NH1 3.19Å; E95-R103 PolarHBondContact OE1-NH1 2.94Å; E95-R103 IonicContact OE1-NH2 2.71Å; E95-R103 PolarHBondContact OE1-NH2 3.29Å; E95-R103 IonicContact OE2-CZ 2.74Å; E95-R103 IonicContact OE2-NH1 2.7Å; E95-R103 PolarHBondContact OE2-NH1 3.4Å; E95-R103 IonicContact OE2-NH2 2.73Å; E95-R103 PolarHBondContact OE2-NH2 3.18Å | ||
| 96 | T | 93.7 | Very high | 77.2 | Confident | 65 Ų | 65 | 102.9 Ų | 102.9 | 40% | 0.399 | 52% | 0.522 | S | S | . | . | trans | -74.7 | 157.8 | 178.5 | 75.1 | 0 | 0 | 0 | 0 | 111.1 | Y94 E98 Q99 L100 | Y94-T96 PolarHBondContact O-N 3.03Å; T96-E98 PolarHBondContact O-N 2.97Å; T96-Q99 WeakPolarHBondContact O-CB 3.39Å; T96-Q99 PolarHBondContact O-N 2.92Å; T96-Q99 VanDerWaalsContact O-N 3.1Å; T96-Q99 WeakPolarHBondContact OG1-CG 3.36Å; T96-Q99 PolarHBondContact OG1-N 3.49Å; T96-L100 PolarHBondContact O-N 2.75Å | ||
| 97 | E | 91.7 | Very high | 79.7 | Confident | 117 Ų | 117 | 100.1 Ų | 100.1 | 55% | 0.547 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.9 | -37.6 | 177.5 | -159 | -169.8 | 145.9 | 0 | 0 | 111.9 | L100 Q101 M138 | E97-L100 PolarHBondContact O-N 3.28Å; E97-Q101 WeakPolarHBondContact O-CB 3.42Å; E97-Q101 VanDerWaalsContact O-CG 3.25Å; E97-Q101 WeakPolarHBondContact O-CG 3.33Å; E97-Q101 PolarHBondContact O-N 2.95Å; E97-Q101 PolarHBondContact OE1-NE2 3.24Å; E97-M138 HydrophobicContact CG-CE 3.37Å |
| 98 | E | 92.1 | Very high | 82.4 | Confident | 155 Ų | 155 | 93.4 Ų | 93.4 | 72% | 0.724 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.4 | -40.2 | 176.7 | -60.5 | 179.1 | 167.8 | 0 | 0 | 112.3 | T96 A102 | T96-E98 PolarHBondContact O-N 2.97Å; E98-A102 VanDerWaalsContact O-CB 3.29Å; E98-A102 WeakPolarHBondContact O-CB 3.39Å; E98-A102 PolarHBondContact O-N 3.32Å |
| 99 | Q | 94.1 | Very high | 84.8 | Confident | 106 Ų | 106 | 85.8 Ų | 85.8 | 50% | 0.495 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.3 | -44.6 | 175.5 | -71.7 | 166.7 | -15.4 | 0 | 0 | 111.1 | E95 T96 A102 R103 | E95-Q99 HydrophobicContact CG-CB 3.71Å; T96-Q99 WeakPolarHBondContact O-CB 3.39Å; T96-Q99 PolarHBondContact O-N 2.92Å; T96-Q99 VanDerWaalsContact O-N 3.1Å; T96-Q99 WeakPolarHBondContact OG1-CG 3.36Å; T96-Q99 PolarHBondContact OG1-N 3.49Å; Q99-A102 PolarHBondContact O-N 2.88Å; Q99-R103 WeakPolarHBondContact O-CB 3.5Å; Q99-R103 PolarHBondContact O-N 2.98Å |
| 100 | L | 94.6 | Very high | 87.3 | Confident | 42 Ų | 42 | 84.8 Ų | 84.8 | 22% | 0.22 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 176.3 | 179.6 | 61.5 | 0 | 0 | 0 | 111.6 | E95 T96 E97 R103 I104 L131 M138 | E95-L100 HydrophobicContact CG-CB 4.28Å; T96-L100 PolarHBondContact O-N 2.75Å; E97-L100 PolarHBondContact O-N 3.28Å; L100-R103 VanDerWaalsContact CD1-NH2 3.27Å; L100-R103 PolarHBondContact O-N 3.43Å; L100-I104 HydrophobicContact CD1-CD1 4.39Å; L100-I104 HydrophobicContact CG-CD1 4.27Å; L100-I104 VanDerWaalsContact O-CG1 3.32Å; L100-I104 WeakPolarHBondContact O-CG1 3.45Å; L100-I104 PolarHBondContact O-N 3.17Å; L100-I104 VanDerWaalsContact O-N 3.07Å; L100-L131 HydrophobicContact CD1-CD1 3.79Å; L100-M138 HydrophobicContact CD2-CE 4.08Å; L100-M138 HydrophobicContact CG-CE 4.48Å |
| 101 | Q | 95.4 | Very high | 89.6 | Confident | 54 Ų | 54 | 80.2 Ų | 80.2 | 25% | 0.252 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.6 | -49.4 | 174.3 | -75.2 | 179.7 | 22.2 | 0 | 0 | 111.2 | E97 R103 I104 L105 M138 F139 | E97-Q101 WeakPolarHBondContact O-CB 3.42Å; E97-Q101 VanDerWaalsContact O-CG 3.25Å; E97-Q101 WeakPolarHBondContact O-CG 3.33Å; E97-Q101 PolarHBondContact O-N 2.95Å; E97-Q101 PolarHBondContact OE1-NE2 3.24Å; Q101-R103 VanDerWaalsContact C-N 3.31Å; Q101-R103 PolarHBondContact O-N 3.35Å; Q101-I104 PolarHBondContact O-N 3.37Å; Q101-L105 WeakPolarHBondContact O-CG 3.35Å; Q101-L105 PolarHBondContact O-N 3.41Å; Q101-M138 HydrophobicContact CG-CE 3.83Å; Q101-F139 HydrophobicContact CB-CE1 3.82Å; Q101-F139 HydrophobicContact CB-CZ 4.17Å; Q101-F139 HydrophobicContact CG-CE1 3.89Å; Q101-F139 HydrophobicContact CG-CZ 4.14Å |
| 102 | A | 96 | Very high | 91.9 | Very high | 37 Ų | 37 | 73.2 Ų | 73.2 | 31% | 0.306 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.7 | -35.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E98 Q99 T106 | E98-A102 VanDerWaalsContact O-CB 3.29Å; E98-A102 WeakPolarHBondContact O-CB 3.39Å; E98-A102 PolarHBondContact O-N 3.32Å; Q99-A102 PolarHBondContact O-N 2.88Å; A102-T106 WeakPolarHBondContact O-CB 3.29Å; A102-T106 PolarHBondContact O-N 3.07Å; A102-T106 PolarHBondContact O-OG1 3.3Å |
| 103 | R | 96.4 | Very high | 93.6 | Very high | 108 Ų | 108 | 71.7 Ų | 71.7 | 41% | 0.408 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.8 | -45.6 | 175.3 | -172 | 171.7 | 68 | -154 | -3.9 | 111.8 | E95 Q99 L100 Q101 T106 A107 V129 | E95-R103 VanDerWaalsContact CD-CZ 3.46Å; E95-R103 IonicContact OE1-CZ 3.12Å; E95-R103 IonicContact OE1-NE 3.86Å; E95-R103 IonicContact OE1-NH1 3.19Å; E95-R103 PolarHBondContact OE1-NH1 2.94Å; E95-R103 IonicContact OE1-NH2 2.71Å; E95-R103 PolarHBondContact OE1-NH2 3.29Å; E95-R103 IonicContact OE2-CZ 2.74Å; E95-R103 IonicContact OE2-NH1 2.7Å; E95-R103 PolarHBondContact OE2-NH1 3.4Å; E95-R103 IonicContact OE2-NH2 2.73Å; E95-R103 PolarHBondContact OE2-NH2 3.18Å; Q99-R103 WeakPolarHBondContact O-CB 3.5Å; Q99-R103 PolarHBondContact O-N 2.98Å; L100-R103 VanDerWaalsContact CD1-NH2 3.27Å; L100-R103 PolarHBondContact O-N 3.43Å; Q101-R103 VanDerWaalsContact C-N 3.31Å; Q101-R103 PolarHBondContact O-N 3.35Å; R103-T106 PolarHBondContact O-N 2.7Å; R103-A107 PolarHBondContact O-N 3.34Å; R103-A107 VanDerWaalsContact O-N 3.08Å; R103-V129 HydrophobicContact CG-CG1 4.24Å; R103-V129 HydrophobicContact CG-CG2 4.34Å |
| 104 | I | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.5 | -48.9 | 175.6 | -65.7 | 162.3 | 0 | 0 | 0 | 110.8 | L100 Q101 T106 A107 A108 I122 A126 L131 F139 | L100-I104 HydrophobicContact CD1-CD1 4.39Å; L100-I104 HydrophobicContact CG-CD1 4.27Å; L100-I104 VanDerWaalsContact O-CG1 3.32Å; L100-I104 WeakPolarHBondContact O-CG1 3.45Å; L100-I104 PolarHBondContact O-N 3.17Å; L100-I104 VanDerWaalsContact O-N 3.07Å; Q101-I104 PolarHBondContact O-N 3.37Å; I104-T106 VanDerWaalsContact C-N 3.3Å; I104-T106 PolarHBondContact O-N 2.9Å; I104-A107 PolarHBondContact O-N 2.87Å; I104-A108 WeakPolarHBondContact O-CB 3.47Å; I104-A108 PolarHBondContact O-N 3.36Å; I104-I122 HydrophobicContact CG2-CG2 4.01Å; I104-A126 HydrophobicContact CG2-CB 4.02Å; I104-L131 HydrophobicContact CD1-CD1 3.61Å; I104-L131 HydrophobicContact CG1-CD1 3.69Å; I104-F139 HydrophobicContact CB-CE2 4.39Å; I104-F139 HydrophobicContact CB-CZ 3.95Å; I104-F139 HydrophobicContact CD1-CE2 4.26Å; I104-F139 HydrophobicContact CD1-CZ 4.14Å; I104-F139 HydrophobicContact CG2-CE2 3.82Å; I104-F139 HydrophobicContact CG2-CZ 3.81Å |
| 105 | L | 97.7 | Very high | 95.6 | Very high | 11 Ų | 11 | 65.6 Ų | 65.6 | 6% | 0.058 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.6 | -33 | -179.2 | -66.5 | 179.2 | 0 | 0 | 0 | 112.3 | Q101 A108 L109 I122 F139 D145 L146 H149 | Q101-L105 WeakPolarHBondContact O-CG 3.35Å; Q101-L105 PolarHBondContact O-N 3.41Å; L105-A108 PolarHBondContact O-N 3.31Å; L105-L109 WeakPolarHBondContact O-CG 3.49Å; L105-L109 PolarHBondContact O-N 2.96Å; L105-I122 HydrophobicContact CD2-CD1 4.08Å; L105-I122 HydrophobicContact CD2-CG1 4.12Å; L105-I122 HydrophobicContact CD2-CG2 4.25Å; L105-F139 HydrophobicContact CD1-CD1 4.1Å; L105-F139 HydrophobicContact CD1-CE1 3.7Å; L105-F139 HydrophobicContact CD2-CD1 3.85Å; L105-F139 HydrophobicContact CD2-CE1 3.62Å; L105-F139 HydrophobicContact CD2-CG 4.48Å; L105-F139 HydrophobicContact CD2-CZ 4.07Å; L105-F139 HydrophobicContact CG-CD1 4.12Å; L105-F139 HydrophobicContact CG-CE1 3.48Å; L105-F139 VanDerWaalsContact CG-CE1 3.48Å; L105-F139 HydrophobicContact CG-CZ 4.02Å; L105-D145 HydrophobicContact CD1-CB 4.29Å; L105-L146 HydrophobicContact CB-CD1 4.32Å; L105-L146 HydrophobicContact CD2-CB 4.15Å; L105-L146 HydrophobicContact CD2-CD1 3.96Å; L105-L146 WeakPolarHBondContact O-CD1 3.43Å; L105-H149 HydrophobicContact CB-CB 4.09Å; L105-H149 HydrophobicContact CD1-CB 3.79Å |
| 106 | T | 97.9 | Very high | 96.1 | Very high | 58 Ų | 58 | 62.4 Ų | 62.4 | 36% | 0.356 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 173.6 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | A102 R103 I104 A108 L109 H149 | A102-T106 WeakPolarHBondContact O-CB 3.29Å; A102-T106 PolarHBondContact O-N 3.07Å; A102-T106 PolarHBondContact O-OG1 3.3Å; R103-T106 PolarHBondContact O-N 2.7Å; I104-T106 VanDerWaalsContact C-N 3.3Å; I104-T106 PolarHBondContact O-N 2.9Å; T106-A108 VanDerWaalsContact C-N 3.33Å; T106-A108 PolarHBondContact O-N 3.21Å; T106-L109 WeakPolarHBondContact O-CB 3.32Å; T106-L109 PolarHBondContact O-N 3.48Å; T106-H149 PolarHBondContact N-NE2 2.98Å; T106-H149 PolarHBondContact OG1-CE1 2.9Å; T106-H149 PolarHBondContact OG1-NE2 2.91Å |
| 107 | A | 97.7 | Very high | 96.3 | Very high | 21 Ų | 21 | 59.4 Ų | 59.4 | 17% | 0.174 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.2 | -34.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R103 I104 L109 E110 F111 V129 | R103-A107 PolarHBondContact O-N 3.34Å; R103-A107 VanDerWaalsContact O-N 3.08Å; I104-A107 PolarHBondContact O-N 2.87Å; A107-L109 PolarHBondContact O-N 2.98Å; A107-E110 PolarHBondContact O-N 3.45Å; A107-F111 WeakPolarHBondContact O-CD2 3.43Å; A107-V129 HydrophobicContact CB-CG2 3.55Å |
| 108 | A | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61 | -26.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | I104 L105 T106 E110 F111 V112 A121 I122 L146 | I104-A108 WeakPolarHBondContact O-CB 3.47Å; I104-A108 PolarHBondContact O-N 3.36Å; L105-A108 PolarHBondContact O-N 3.31Å; T106-A108 VanDerWaalsContact C-N 3.33Å; T106-A108 PolarHBondContact O-N 3.21Å; A108-E110 VanDerWaalsContact C-N 3.27Å; A108-E110 PolarHBondContact O-N 3.42Å; A108-F111 PolarHBondContact O-N 2.95Å; A108-V112 PolarHBondContact O-N 2.9Å; A108-A121 WeakPolarHBondContact CB-O 3.24Å; A108-I122 HydrophobicContact CB-CG1 4.49Å; A108-L146 HydrophobicContact CB-CD1 3.68Å |
| 109 | L | 97.8 | Very high | 96.8 | Very high | 9 Ų | 9 | 50.7 Ų | 50.7 | 5% | 0.047 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -61.3 | -33.3 | 178.1 | -61.2 | 179.7 | 0 | 0 | 0 | 112.8 | L105 T106 A107 F111 V112 W117 L146 F150 Y197 | L105-L109 WeakPolarHBondContact O-CG 3.49Å; L105-L109 PolarHBondContact O-N 2.96Å; T106-L109 WeakPolarHBondContact O-CB 3.32Å; T106-L109 PolarHBondContact O-N 3.48Å; A107-L109 PolarHBondContact O-N 2.98Å; L109-F111 PolarHBondContact O-N 3.4Å; L109-V112 HydrophobicContact CD2-CG2 4.42Å; L109-V112 PolarHBondContact O-N 2.94Å; L109-W117 HydrophobicContact CD2-CH2 4.21Å; L109-W117 HydrophobicContact CD2-CZ3 3.98Å; L109-L146 HydrophobicContact CD2-CD1 3.85Å; L109-L146 HydrophobicContact CD2-CG 4.46Å; L109-F150 HydrophobicContact CD1-CD2 4.07Å; L109-F150 HydrophobicContact CD2-CB 3.95Å; L109-F150 HydrophobicContact CD2-CD2 4.21Å; L109-F150 HydrophobicContact CD2-CG 4.37Å; L109-Y197 WeakPolarHBondContact O-CE1 3.28Å |
| 110 | E | 97.4 | Very high | 96.9 | Very high | 161 Ų | 161 | 51 Ų | 51 | 75% | 0.752 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -62.7 | -23.4 | 176.7 | -60.7 | -167.6 | 174.3 | 0 | 0 | 112.5 | A107 A108 | A107-E110 PolarHBondContact O-N 3.45Å; A108-E110 VanDerWaalsContact C-N 3.27Å; A108-E110 PolarHBondContact O-N 3.42Å |
| 111 | F | 97.6 | Very high | 97.1 | Very high | 55 Ų | 55 | 49 Ų | 49 | 24% | 0.241 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -98.6 | -10.3 | -178.7 | -56.9 | -81.5 | 0 | 0 | 0 | 113.8 | A107 A108 L109 L114 H115 A121 A124 A128 | A107-F111 WeakPolarHBondContact O-CD2 3.43Å; A108-F111 PolarHBondContact O-N 2.95Å; L109-F111 PolarHBondContact O-N 3.4Å; F111-L114 PolarHBondContact O-N 2.91Å; F111-H115 PolarHBondContact O-N 3.31Å; F111-A121 HydrophobicContact CB-CB 4.42Å; F111-A124 HydrophobicContact CB-CB 3.99Å; F111-A124 HydrophobicContact CD1-CB 3.64Å; F111-A124 HydrophobicContact CD2-CB 3.79Å; F111-A124 HydrophobicContact CE1-CB 4.05Å; F111-A124 HydrophobicContact CE2-CB 4.19Å; F111-A124 HydrophobicContact CG-CB 3.51Å; F111-A124 HydrophobicContact CZ-CB 4.31Å; F111-A128 HydrophobicContact CE2-CB 3.81Å; F111-A128 HydrophobicContact CZ-CB 3.91Å |
| 112 | V | 97.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.1 | -38.2 | 176.5 | 169.4 | 0 | 0 | 0 | 0 | 113.2 | A108 L109 L114 G116 W117 A121 L146 Y197 | A108-V112 PolarHBondContact O-N 2.9Å; L109-V112 HydrophobicContact CD2-CG2 4.42Å; L109-V112 PolarHBondContact O-N 2.94Å; V112-L114 PolarHBondContact O-N 3.49Å; V112-G116 WeakPolarHBondContact O-CA 3.37Å; V112-G116 PolarHBondContact O-N 2.72Å; V112-W117 HydrophobicContact CG1-CD2 3.82Å; V112-W117 VanDerWaalsContact CG1-CE2 3.48Å; V112-W117 HydrophobicContact CG1-CE3 4.3Å; V112-W117 HydrophobicContact CG1-CG 4.27Å; V112-W117 HydrophobicContact CG1-CH2 4.2Å; V112-W117 HydrophobicContact CG1-CZ2 3.71Å; V112-W117 HydrophobicContact CG1-CZ3 4.47Å; V112-W117 HydrophobicContact CG2-CD2 4.41Å; V112-W117 HydrophobicContact CG2-CE3 4.13Å; V112-W117 HydrophobicContact CG2-CH2 4.49Å; V112-W117 HydrophobicContact CG2-CZ3 4.18Å; V112-A121 HydrophobicContact CG2-CB 4.29Å; V112-L146 HydrophobicContact CG2-CD2 3.82Å; V112-Y197 HydrophobicContact CB-CD1 4.11Å; V112-Y197 HydrophobicContact CB-CE1 4.15Å; V112-Y197 HydrophobicContact CG1-CD1 3.76Å; V112-Y197 HydrophobicContact CG1-CE1 4.3Å |
| 113 | P | 96.3 | Very high | 97.2 | Very high | 86 Ų | 86 | 46.2 Ų | 46.2 | 56% | 0.558 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -64.9 | -17.3 | 174.4 | -24.1 | 36.1 | 0 | 0 | 0 | 114.7 | Y197 | P113-Y197 HydrophobicContact CG-CD1 4.25Å; P113-Y197 HydrophobicContact CG-CE1 4.23Å |
| 114 | L | 96.2 | Very high | 97.3 | Very high | 133 Ų | 133 | 41.8 Ų | 41.8 | 70% | 0.696 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -102.2 | -35.9 | -179.4 | -177.5 | 63.3 | 0 | 0 | 0 | 113.2 | F111 V112 | F111-L114 PolarHBondContact O-N 2.91Å; V112-L114 PolarHBondContact O-N 3.49Å |
| 115 | H | 96.7 | Very high | 97.3 | Very high | 81 Ų | 81 | 41.8 Ų | 41.8 | 38% | 0.375 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -112.1 | -10.1 | -174.4 | -63.1 | -37 | 0 | 0 | 0 | 113.8 | F111 S118 E120 A121 | F111-H115 PolarHBondContact O-N 3.31Å; H115-S118 PolarHBondContact O-OG 3.25Å; H115-E120 HydrophobicContact CB-CB 4.14Å; H115-A121 HydrophobicContact CB-CB 4.1Å |
| 116 | G | 96.7 | Very high | 97.2 | Very high | 11 Ų | 11 | 41.3 Ų | 41.3 | 11% | 0.113 | 22% | 0.223 | C | C | . | . | trans | 73.5 | -166.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V112 S118 | V112-G116 WeakPolarHBondContact O-CA 3.37Å; V112-G116 PolarHBondContact O-N 2.72Å; G116-S118 PolarHBondContact O-N 2.93Å; G116-S118 VanDerWaalsContact O-N 3.12Å | ||
| 117 | W | 97.9 | Very high | 97.2 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -84 | 84.1 | 177 | -60.1 | 89.8 | 0 | 0 | 0 | 109.4 | L109 V112 A143 L146 V147 F150 Y197 S200 W201 Q203 A204 I207 | L109-W117 HydrophobicContact CD2-CH2 4.21Å; L109-W117 HydrophobicContact CD2-CZ3 3.98Å; V112-W117 HydrophobicContact CG1-CD2 3.82Å; V112-W117 VanDerWaalsContact CG1-CE2 3.48Å; V112-W117 HydrophobicContact CG1-CE3 4.3Å; V112-W117 HydrophobicContact CG1-CG 4.27Å; V112-W117 HydrophobicContact CG1-CH2 4.2Å; V112-W117 HydrophobicContact CG1-CZ2 3.71Å; V112-W117 HydrophobicContact CG1-CZ3 4.47Å; V112-W117 HydrophobicContact CG2-CD2 4.41Å; V112-W117 HydrophobicContact CG2-CE3 4.13Å; V112-W117 HydrophobicContact CG2-CH2 4.49Å; V112-W117 HydrophobicContact CG2-CZ3 4.18Å; W117-A143 WeakPolarHBondContact O-CB 3.29Å; W117-L146 HydrophobicContact CE3-CD2 4.15Å; W117-L146 HydrophobicContact CE3-CG 3.97Å; W117-L146 HydrophobicContact CZ3-CG 4.11Å; W117-V147 HydrophobicContact CB-CG2 3.94Å; W117-V147 HydrophobicContact CD2-CG2 3.71Å; W117-V147 HydrophobicContact CE3-CB 4.17Å; W117-V147 HydrophobicContact CE3-CG2 3.4Å; W117-V147 HydrophobicContact CG-CG2 3.95Å; W117-V147 HydrophobicContact CZ3-CB 4.5Å; W117-V147 HydrophobicContact CZ3-CG2 4.18Å; W117-F150 HydrophobicContact CH2-CB 3.81Å; W117-F150 AromaticContact CH2-CD1 3.43Å; W117-F150 HydrophobicContact CH2-CD1 3.43Å; W117-F150 VanDerWaalsContact CH2-CD1 3.43Å; W117-F150 HydrophobicContact CH2-CD2 4.3Å; W117-F150 HydrophobicContact CH2-CE1 4.02Å; W117-F150 AromaticContact CH2-CG 3.58Å; W117-F150 HydrophobicContact CH2-CG 3.58Å; W117-F150 HydrophobicContact CZ2-CD1 4.11Å; W117-F150 HydrophobicContact CZ2-CE1 4.33Å; W117-F150 HydrophobicContact CZ3-CB 3.84Å; W117-F150 HydrophobicContact CZ3-CD1 4.23Å; W117-F150 HydrophobicContact CZ3-CG 4.15Å; W117-Y197 HydrophobicContact CZ2-CD1 4.36Å; W117-Y197 HydrophobicContact CZ2-CG 4.12Å; W117-S200 PolarHBondContact NE1-O 2.84Å; W117-S200 PolarHBondContact NE1-OG 3.08Å; W117-W201 HydrophobicContact CH2-CZ3 4.26Å; W117-W201 AromaticContact CZ2-CE3 3.98Å; W117-W201 HydrophobicContact CZ2-CE3 3.98Å; W117-W201 AromaticContact CZ2-CZ3 3.81Å; W117-W201 HydrophobicContact CZ2-CZ3 3.81Å; W117-Q203 HydrophobicContact CB-CG 4.34Å; W117-Q203 PolarHBondContact O-NE2 3.21Å; W117-A204 HydrophobicContact CD2-CB 4.01Å; W117-A204 HydrophobicContact CG-CB 4Å; W117-A204 HydrophobicContact CZ2-CB 4.39Å; W117-I207 HydrophobicContact CB-CD1 3.69Å |
| 118 | S | 96.9 | Very high | 97.1 | Very high | 15 Ų | 15 | 46 Ų | 46 | 11% | 0.105 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -146.8 | 172 | -167.4 | 87.1 | 0 | 0 | 0 | 0 | 113.9 | H115 G116 E120 A121 | H115-S118 PolarHBondContact O-OG 3.25Å; G116-S118 PolarHBondContact O-N 2.93Å; G116-S118 VanDerWaalsContact O-N 3.12Å; S118-E120 VanDerWaalsContact C-N 3.3Å; S118-E120 WeakPolarHBondContact CB-OE2 3.38Å; S118-E120 PolarHBondContact OG-N 3.29Å; S118-E120 PolarHBondContact OG-OE2 3.11Å; S118-A121 PolarHBondContact O-N 3.1Å |
| 119 | M | 96.4 | Very high | 97 | Very high | 73 Ų | 73 | 48.1 Ų | 48.1 | 36% | 0.36 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69.3 | -28.4 | 175.3 | -69.9 | -63.3 | -73.6 | 0 | 0 | 112.4 | I122 S123 G142 | M119-I122 PolarHBondContact O-N 3.12Å; M119-I122 HydrophobicContact SD-CD1 4.02Å; M119-S123 PolarHBondContact O-N 2.84Å; M119-G142 WeakPolarHBondContact SD-CA 3.44Å |
| 120 | E | 97 | Very high | 96.9 | Very high | 112 Ų | 112 | 51 Ų | 51 | 52% | 0.523 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 175.5 | -62.2 | 77.6 | -174.2 | 0 | 0 | 110.9 | H115 S118 I122 S123 A124 | H115-E120 HydrophobicContact CB-CB 4.14Å; S118-E120 VanDerWaalsContact C-N 3.3Å; S118-E120 WeakPolarHBondContact CB-OE2 3.38Å; S118-E120 PolarHBondContact OG-N 3.29Å; S118-E120 PolarHBondContact OG-OE2 3.11Å; E120-I122 VanDerWaalsContact C-N 3.34Å; E120-I122 PolarHBondContact O-N 3.17Å; E120-S123 WeakPolarHBondContact CA-OG 3.4Å; E120-S123 PolarHBondContact O-N 2.98Å; E120-S123 PolarHBondContact O-OG 2.95Å; E120-A124 PolarHBondContact O-N 2.98Å |
| 121 | A | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A108 F111 V112 H115 S118 A124 G125 L146 | A108-A121 WeakPolarHBondContact CB-O 3.24Å; F111-A121 HydrophobicContact CB-CB 4.42Å; V112-A121 HydrophobicContact CG2-CB 4.29Å; H115-A121 HydrophobicContact CB-CB 4.1Å; S118-A121 PolarHBondContact O-N 3.1Å; A121-A124 PolarHBondContact O-N 3.01Å; A121-G125 PolarHBondContact O-N 3.03Å; A121-L146 HydrophobicContact CB-CD2 4.04Å |
| 122 | I | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.9 | -38.4 | 176.4 | -54.9 | 174.6 | 0 | 0 | 0 | 111 | I104 L105 A108 M119 E120 G125 A126 T136 F139 G142 L146 | I104-I122 HydrophobicContact CG2-CG2 4.01Å; L105-I122 HydrophobicContact CD2-CD1 4.08Å; L105-I122 HydrophobicContact CD2-CG1 4.12Å; L105-I122 HydrophobicContact CD2-CG2 4.25Å; A108-I122 HydrophobicContact CB-CG1 4.49Å; M119-I122 PolarHBondContact O-N 3.12Å; M119-I122 HydrophobicContact SD-CD1 4.02Å; E120-I122 VanDerWaalsContact C-N 3.34Å; E120-I122 PolarHBondContact O-N 3.17Å; I122-G125 PolarHBondContact O-N 3.12Å; I122-A126 WeakPolarHBondContact O-CB 3.49Å; I122-A126 PolarHBondContact O-N 3Å; I122-T136 HydrophobicContact CB-CG2 4.47Å; I122-T136 HydrophobicContact CG2-CG2 4.17Å; I122-F139 HydrophobicContact CG2-CD2 3.53Å; I122-F139 HydrophobicContact CG2-CE2 3.6Å; I122-F139 HydrophobicContact CG2-CG 4.23Å; I122-F139 HydrophobicContact CG2-CZ 4.35Å; I122-G142 VanDerWaalsContact CD1-O 3.3Å; I122-G142 WeakPolarHBondContact CD1-O 3.34Å; I122-L146 HydrophobicContact CD1-CB 4.09Å; I122-L146 HydrophobicContact CG1-CB 4.24Å; I122-L146 HydrophobicContact CG1-CD2 3.99Å; I122-L146 HydrophobicContact CG1-CG 4.5Å |
| 123 | S | 97.3 | Very high | 96.3 | Very high | 33 Ų | 33 | 48.7 Ų | 48.7 | 23% | 0.231 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 176.7 | 76.8 | 0 | 0 | 0 | 0 | 112.4 | M119 E120 A126 E127 | M119-S123 PolarHBondContact O-N 2.84Å; E120-S123 WeakPolarHBondContact CA-OG 3.4Å; E120-S123 PolarHBondContact O-N 2.98Å; E120-S123 PolarHBondContact O-OG 2.95Å; S123-A126 PolarHBondContact O-N 3.23Å; S123-E127 WeakPolarHBondContact O-CG 3.49Å; S123-E127 PolarHBondContact O-N 2.96Å |
| 124 | A | 97.3 | Very high | 96.1 | Very high | 16 Ų | 16 | 48.2 Ų | 48.2 | 13% | 0.132 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.4 | -39.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F111 E120 A121 E127 A128 | F111-A124 HydrophobicContact CB-CB 3.99Å; F111-A124 HydrophobicContact CD1-CB 3.64Å; F111-A124 HydrophobicContact CD2-CB 3.79Å; F111-A124 HydrophobicContact CE1-CB 4.05Å; F111-A124 HydrophobicContact CE2-CB 4.19Å; F111-A124 HydrophobicContact CG-CB 3.51Å; F111-A124 HydrophobicContact CZ-CB 4.31Å; E120-A124 PolarHBondContact O-N 2.98Å; A121-A124 PolarHBondContact O-N 3.01Å; A124-E127 PolarHBondContact O-N 3.42Å; A124-A128 VanDerWaalsContact O-CB 3.31Å; A124-A128 WeakPolarHBondContact O-CB 3.45Å; A124-A128 PolarHBondContact O-N 2.57Å |
| 125 | G | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A121 I122 A128 V129 | A121-G125 PolarHBondContact O-N 3.03Å; I122-G125 PolarHBondContact O-N 3.12Å; G125-A128 PolarHBondContact O-N 2.99Å; G125-V129 WeakPolarHBondContact O-CG2 3.26Å; G125-V129 PolarHBondContact O-N 3.47Å; G125-V129 VanDerWaalsContact O-N 3.13Å |
| 126 | A | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.4 | -45.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I104 I122 S123 A128 V129 G130 L131 | I104-A126 HydrophobicContact CG2-CB 4.02Å; I122-A126 WeakPolarHBondContact O-CB 3.49Å; I122-A126 PolarHBondContact O-N 3Å; S123-A126 PolarHBondContact O-N 3.23Å; A126-A128 VanDerWaalsContact C-N 3.34Å; A126-A128 PolarHBondContact O-N 3.27Å; A126-V129 PolarHBondContact O-N 3.33Å; A126-G130 PolarHBondContact O-N 2.62Å; A126-L131 HydrophobicContact CB-CB 4.39Å; A126-L131 WeakPolarHBondContact O-CB 3.34Å; A126-L131 PolarHBondContact O-N 3.3Å |
| 127 | E | 97.2 | Very high | 95.4 | Very high | 113 Ų | 113 | 43.7 Ų | 43.7 | 53% | 0.528 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.6 | -35.2 | 177.6 | -70.7 | -178.3 | -178.5 | 0 | 0 | 112.3 | S123 A124 V129 G130 L131 S133 | S123-E127 WeakPolarHBondContact O-CG 3.49Å; S123-E127 PolarHBondContact O-N 2.96Å; A124-E127 PolarHBondContact O-N 3.42Å; E127-V129 VanDerWaalsContact C-N 3.31Å; E127-V129 PolarHBondContact O-N 2.97Å; E127-G130 PolarHBondContact O-N 3Å; E127-L131 WeakPolarHBondContact CA-O 3.38Å; E127-S133 WeakPolarHBondContact OE1-CB 3.21Å; E127-S133 PolarHBondContact OE1-OG 2.69Å |
| 128 | A | 96.5 | Very high | 95.2 | Very high | 66 Ų | 66 | 45.9 Ų | 45.9 | 55% | 0.545 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.8 | -30.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | F111 A124 G125 A126 G130 | F111-A128 HydrophobicContact CE2-CB 3.81Å; F111-A128 HydrophobicContact CZ-CB 3.91Å; A124-A128 VanDerWaalsContact O-CB 3.31Å; A124-A128 WeakPolarHBondContact O-CB 3.45Å; A124-A128 PolarHBondContact O-N 2.57Å; G125-A128 PolarHBondContact O-N 2.99Å; A126-A128 VanDerWaalsContact C-N 3.34Å; A126-A128 PolarHBondContact O-N 3.27Å; A128-G130 PolarHBondContact O-N 3.21Å |
| 129 | V | 95.4 | Very high | 95 | Very high | 43 Ų | 43 | 45.6 Ų | 45.6 | 26% | 0.261 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 0.2 | 173 | 175.7 | 0 | 0 | 0 | 0 | 111.8 | R103 A107 G125 A126 E127 L131 | R103-V129 HydrophobicContact CG-CG1 4.24Å; R103-V129 HydrophobicContact CG-CG2 4.34Å; A107-V129 HydrophobicContact CB-CG2 3.55Å; G125-V129 WeakPolarHBondContact O-CG2 3.26Å; G125-V129 PolarHBondContact O-N 3.47Å; G125-V129 VanDerWaalsContact O-N 3.13Å; A126-V129 PolarHBondContact O-N 3.33Å; E127-V129 VanDerWaalsContact C-N 3.31Å; E127-V129 PolarHBondContact O-N 2.97Å; V129-L131 HydrophobicContact CB-CD1 4.49Å; V129-L131 HydrophobicContact CG1-CD1 3.98Å; V129-L131 HydrophobicContact CG1-CG 4.19Å |
| 130 | G | 95.2 | Very high | 94.7 | Very high | 69 Ų | 69 | 48.8 Ų | 48.8 | 71% | 0.711 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | 14.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | A126 E127 A128 | A126-G130 PolarHBondContact O-N 2.62Å; E127-G130 PolarHBondContact O-N 3Å; A128-G130 PolarHBondContact O-N 3.21Å |
| 131 | L | 94.8 | Very high | 94.4 | Very high | 52 Ų | 52 | 45.8 Ų | 45.8 | 27% | 0.272 | 32% | 0.316 | S | S | . | . | trans | -94.5 | 166.5 | 177.2 | -56.6 | 171.1 | 0 | 0 | 0 | 110.6 | L100 I104 A126 E127 V129 | L100-L131 HydrophobicContact CD1-CD1 3.79Å; I104-L131 HydrophobicContact CD1-CD1 3.61Å; I104-L131 HydrophobicContact CG1-CD1 3.69Å; A126-L131 HydrophobicContact CB-CB 4.39Å; A126-L131 WeakPolarHBondContact O-CB 3.34Å; A126-L131 PolarHBondContact O-N 3.3Å; E127-L131 WeakPolarHBondContact CA-O 3.38Å; V129-L131 HydrophobicContact CB-CD1 4.49Å; V129-L131 HydrophobicContact CG1-CD1 3.98Å; V129-L131 HydrophobicContact CG1-CG 4.19Å | ||
| 132 | S | 95 | Very high | 94.2 | Very high | 71 Ų | 71 | 46 Ų | 46 | 50% | 0.497 | 32% | 0.318 | S | S | . | . | trans | -76.3 | 145.8 | 172.4 | -178.2 | 0 | 0 | 0 | 0 | 110.5 | A134 S135 | S132-A134 PolarHBondContact O-N 2.99Å; S132-A134 WeakPolarHBondContact OG-CB 3.35Å; S132-A134 PolarHBondContact OG-N 2.92Å; S132-S135 VanDerWaalsContact O-CB 3.25Å; S132-S135 WeakPolarHBondContact O-CB 3.23Å; S132-S135 PolarHBondContact O-N 3.08Å; S132-S135 PolarHBondContact O-OG 3.23Å | ||
| 133 | S | 90.8 | Very high | 94.1 | Very high | 46 Ų | 46 | 47.1 Ų | 47.1 | 32% | 0.322 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -55.8 | -17.2 | 165.5 | 28.8 | 0 | 0 | 0 | 0 | 113.5 | E127 S135 T136 | E127-S133 WeakPolarHBondContact OE1-CB 3.21Å; E127-S133 PolarHBondContact OE1-OG 2.69Å; S133-S135 PolarHBondContact O-N 2.88Å; S133-T136 WeakPolarHBondContact O-CB 3.24Å; S133-T136 VanDerWaalsContact O-CG2 3.29Å; S133-T136 WeakPolarHBondContact O-CG2 3.26Å; S133-T136 PolarHBondContact O-N 2.79Å; S133-T136 PolarHBondContact O-OG1 3.44Å |
| 134 | A | 91.9 | Very high | 94.1 | Very high | 77 Ų | 77 | 45.7 Ų | 45.7 | 64% | 0.636 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -62.5 | -25.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | S132 T136 G137 | S132-A134 PolarHBondContact O-N 2.99Å; S132-A134 WeakPolarHBondContact OG-CB 3.35Å; S132-A134 PolarHBondContact OG-N 2.92Å; A134-T136 PolarHBondContact O-N 2.95Å; A134-T136 VanDerWaalsContact O-N 3.15Å; A134-G137 PolarHBondContact O-N 3.42Å; A134-G137 VanDerWaalsContact O-N 3.15Å |
| 135 | S | 90.9 | Very high | 94.1 | Very high | 33 Ų | 33 | 46.8 Ų | 46.8 | 23% | 0.231 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -63.7 | -13.9 | 174.5 | -63.3 | 0 | 0 | 0 | 0 | 113.2 | S132 S133 G137 M138 | S132-S135 VanDerWaalsContact O-CB 3.25Å; S132-S135 WeakPolarHBondContact O-CB 3.23Å; S132-S135 PolarHBondContact O-N 3.08Å; S132-S135 PolarHBondContact O-OG 3.23Å; S133-S135 PolarHBondContact O-N 2.88Å; S135-G137 PolarHBondContact O-N 2.98Å; S135-G137 VanDerWaalsContact O-N 3.14Å; S135-M138 WeakPolarHBondContact O-CG 3.41Å; S135-M138 PolarHBondContact O-N 2.96Å |
| 136 | T | 91.8 | Very high | 94.2 | Very high | 29 Ų | 29 | 46.8 Ų | 46.8 | 18% | 0.178 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -58.8 | -21.6 | 170.5 | 56.5 | 0 | 0 | 0 | 0 | 113.5 | I122 S133 A134 M138 F139 | I122-T136 HydrophobicContact CB-CG2 4.47Å; I122-T136 HydrophobicContact CG2-CG2 4.17Å; S133-T136 WeakPolarHBondContact O-CB 3.24Å; S133-T136 VanDerWaalsContact O-CG2 3.29Å; S133-T136 WeakPolarHBondContact O-CG2 3.26Å; S133-T136 PolarHBondContact O-N 2.79Å; S133-T136 PolarHBondContact O-OG1 3.44Å; A134-T136 PolarHBondContact O-N 2.95Å; A134-T136 VanDerWaalsContact O-N 3.15Å; T136-M138 PolarHBondContact O-N 3.07Å; T136-M138 VanDerWaalsContact O-N 3.09Å; T136-F139 PolarHBondContact O-N 3.08Å; T136-F139 VanDerWaalsContact O-N 3.13Å |
| 137 | G | 92.1 | Very high | 94.2 | Very high | 67 Ų | 67 | 46.8 Ų | 46.8 | 69% | 0.691 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -63.5 | -9.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | A134 S135 | A134-G137 PolarHBondContact O-N 3.42Å; A134-G137 VanDerWaalsContact O-N 3.15Å; S135-G137 PolarHBondContact O-N 2.98Å; S135-G137 VanDerWaalsContact O-N 3.14Å |
| 138 | M | 92.7 | Very high | 94.3 | Very high | 49 Ų | 49 | 42.5 Ų | 42.5 | 24% | 0.241 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -74.5 | -28.3 | 173.4 | -60.6 | 170 | 71.5 | 0 | 0 | 112.3 | E97 L100 Q101 S135 T136 T140 | E97-M138 HydrophobicContact CG-CE 3.37Å; L100-M138 HydrophobicContact CD2-CE 4.08Å; L100-M138 HydrophobicContact CG-CE 4.48Å; Q101-M138 HydrophobicContact CG-CE 3.83Å; S135-M138 WeakPolarHBondContact O-CG 3.41Å; S135-M138 PolarHBondContact O-N 2.96Å; T136-M138 PolarHBondContact O-N 3.07Å; T136-M138 VanDerWaalsContact O-N 3.09Å; M138-T140 PolarHBondContact O-N 3.21Å |
| 139 | F | 94.2 | Very high | 94.3 | Very high | 8 Ų | 8 | 41.1 Ų | 41.1 | 4% | 0.035 | 28% | 0.284 | C | S | . | . | trans | -89.7 | 86.1 | -173.9 | -55.3 | -76.9 | 0 | 0 | 0 | 111.1 | Q101 I104 L105 I122 T136 N141 G142 D145 | Q101-F139 HydrophobicContact CB-CE1 3.82Å; Q101-F139 HydrophobicContact CB-CZ 4.17Å; Q101-F139 HydrophobicContact CG-CE1 3.89Å; Q101-F139 HydrophobicContact CG-CZ 4.14Å; I104-F139 HydrophobicContact CB-CE2 4.39Å; I104-F139 HydrophobicContact CB-CZ 3.95Å; I104-F139 HydrophobicContact CD1-CE2 4.26Å; I104-F139 HydrophobicContact CD1-CZ 4.14Å; I104-F139 HydrophobicContact CG2-CE2 3.82Å; I104-F139 HydrophobicContact CG2-CZ 3.81Å; L105-F139 HydrophobicContact CD1-CD1 4.1Å; L105-F139 HydrophobicContact CD1-CE1 3.7Å; L105-F139 HydrophobicContact CD2-CD1 3.85Å; L105-F139 HydrophobicContact CD2-CE1 3.62Å; L105-F139 HydrophobicContact CD2-CG 4.48Å; L105-F139 HydrophobicContact CD2-CZ 4.07Å; L105-F139 HydrophobicContact CG-CD1 4.12Å; L105-F139 HydrophobicContact CG-CE1 3.48Å; L105-F139 VanDerWaalsContact CG-CE1 3.48Å; L105-F139 HydrophobicContact CG-CZ 4.02Å; I122-F139 HydrophobicContact CG2-CD2 3.53Å; I122-F139 HydrophobicContact CG2-CE2 3.6Å; I122-F139 HydrophobicContact CG2-CG 4.23Å; I122-F139 HydrophobicContact CG2-CZ 4.35Å; T136-F139 PolarHBondContact O-N 3.08Å; T136-F139 VanDerWaalsContact O-N 3.13Å; F139-N141 PolarHBondContact O-N 3.15Å; F139-G142 PolarHBondContact O-N 3.18Å; F139-D145 HydrophobicContact CD1-CB 4.31Å | ||
| 140 | T | 89.9 | Confident | 94.5 | Very high | 141 Ų | 141 | 39.4 Ų | 39.4 | 87% | 0.865 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -64.9 | -22.7 | -174.5 | 64.9 | 0 | 0 | 0 | 0 | 114.5 | M138 | M138-T140 PolarHBondContact O-N 3.21Š|
| 141 | N | 91.1 | Very high | 94.6 | Very high | 49 Ų | 49 | 36.7 Ų | 36.7 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -114 | -11.3 | 176.7 | 165.2 | 59.8 | 0 | 0 | 0 | 111.5 | F139 A143 G144 D145 H212 N213 | F139-N141 PolarHBondContact O-N 3.15Å; N141-A143 PolarHBondContact O-N 3.31Å; N141-A143 VanDerWaalsContact O-N 3.16Å; N141-G144 WeakPolarHBondContact ND2-CA 3.46Å; N141-G144 PolarHBondContact O-N 2.86Å; N141-D145 WeakPolarHBondContact CA-OD2 3.37Å; N141-D145 VanDerWaalsContact CB-OD1 3.29Å; N141-D145 WeakPolarHBondContact CB-OD1 3.49Å; N141-D145 PolarHBondContact N-OD2 3.35Å; N141-D145 PolarHBondContact ND2-N 3.27Å; N141-D145 PolarHBondContact ND2-OD1 2.96Å; N141-H212 PolarHBondContact OD1-CD2 2.77Å; N141-H212 PolarHBondContact OD1-NE2 3.02Å; N141-N213 PolarHBondContact ND2-OD1 3.08Å; N141-N213 PolarHBondContact OD1-OD1 2.79Å |
| 142 | G | 93.5 | Very high | 94.8 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | -110.8 | 155.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M119 I122 F139 G144 D145 L146 | M119-G142 WeakPolarHBondContact SD-CA 3.44Å; I122-G142 VanDerWaalsContact CD1-O 3.3Å; I122-G142 WeakPolarHBondContact CD1-O 3.34Å; F139-G142 PolarHBondContact O-N 3.18Å; G142-G144 PolarHBondContact O-N 3.41Å; G142-D145 PolarHBondContact N-OD2 3.01Å; G142-D145 WeakPolarHBondContact O-CB 3.33Å; G142-D145 PolarHBondContact O-N 2.97Å; G142-L146 PolarHBondContact O-N 2.79Å; G142-L146 VanDerWaalsContact O-N 3.14Å |
| 143 | A | 95.2 | Very high | 94.9 | Very high | 23 Ų | 23 | 37 Ų | 37 | 19% | 0.19 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.3 | -29.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | W117 N141 V147 I207 | W117-A143 WeakPolarHBondContact O-CB 3.29Å; N141-A143 PolarHBondContact O-N 3.31Å; N141-A143 VanDerWaalsContact O-N 3.16Å; A143-V147 WeakPolarHBondContact O-CG2 3.26Å; A143-V147 PolarHBondContact O-N 2.75Å; A143-I207 HydrophobicContact CB-CD1 4.14Å |
| 144 | G | 97.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.6 | -43.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N141 G142 L146 V147 L148 | N141-G144 WeakPolarHBondContact ND2-CA 3.46Å; N141-G144 PolarHBondContact O-N 2.86Å; G142-G144 PolarHBondContact O-N 3.41Å; G144-L146 VanDerWaalsContact C-N 3.33Å; G144-L146 PolarHBondContact O-N 2.87Å; G144-V147 PolarHBondContact O-N 3.06Å; G144-L148 WeakPolarHBondContact O-CB 3.43Å; G144-L148 VanDerWaalsContact O-CG 3.27Å; G144-L148 WeakPolarHBondContact O-CG 3.31Å; G144-L148 PolarHBondContact O-N 2.97Å |
| 145 | D | 97.3 | Very high | 95.6 | Very high | 40 Ų | 40 | 32 Ų | 32 | 21% | 0.214 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.4 | -39.4 | 179.9 | -56.5 | -32.5 | 0 | 0 | 0 | 110.9 | L105 F139 N141 G142 L148 H149 | L105-D145 HydrophobicContact CD1-CB 4.29Å; F139-D145 HydrophobicContact CD1-CB 4.31Å; N141-D145 WeakPolarHBondContact CA-OD2 3.37Å; N141-D145 VanDerWaalsContact CB-OD1 3.29Å; N141-D145 WeakPolarHBondContact CB-OD1 3.49Å; N141-D145 PolarHBondContact N-OD2 3.35Å; N141-D145 PolarHBondContact ND2-N 3.27Å; N141-D145 PolarHBondContact ND2-OD1 2.96Å; G142-D145 PolarHBondContact N-OD2 3.01Å; G142-D145 WeakPolarHBondContact O-CB 3.33Å; G142-D145 PolarHBondContact O-N 2.97Å; D145-L148 PolarHBondContact O-N 3.39Å; D145-H149 VanDerWaalsContact O-CB 3.23Å; D145-H149 WeakPolarHBondContact O-CB 3.4Å; D145-H149 PolarHBondContact O-N 3.5Å |
| 146 | L | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64 | -44 | 175.6 | -175.6 | 63.1 | 0 | 0 | 0 | 113.1 | L105 A108 L109 V112 W117 A121 I122 G142 G144 F150 | L105-L146 HydrophobicContact CB-CD1 4.32Å; L105-L146 HydrophobicContact CD2-CB 4.15Å; L105-L146 HydrophobicContact CD2-CD1 3.96Å; L105-L146 WeakPolarHBondContact O-CD1 3.43Å; A108-L146 HydrophobicContact CB-CD1 3.68Å; L109-L146 HydrophobicContact CD2-CD1 3.85Å; L109-L146 HydrophobicContact CD2-CG 4.46Å; V112-L146 HydrophobicContact CG2-CD2 3.82Å; W117-L146 HydrophobicContact CE3-CD2 4.15Å; W117-L146 HydrophobicContact CE3-CG 3.97Å; W117-L146 HydrophobicContact CZ3-CG 4.11Å; A121-L146 HydrophobicContact CB-CD2 4.04Å; I122-L146 HydrophobicContact CD1-CB 4.09Å; I122-L146 HydrophobicContact CG1-CB 4.24Å; I122-L146 HydrophobicContact CG1-CD2 3.99Å; I122-L146 HydrophobicContact CG1-CG 4.5Å; G142-L146 PolarHBondContact O-N 2.79Å; G142-L146 VanDerWaalsContact O-N 3.14Å; G144-L146 VanDerWaalsContact C-N 3.33Å; G144-L146 PolarHBondContact O-N 2.87Å; L146-F150 PolarHBondContact O-N 3.48Å; L146-F150 VanDerWaalsContact O-N 3.1Å |
| 147 | V | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.4 | -40.1 | 178.2 | -173.6 | 0 | 0 | 0 | 0 | 110.9 | W117 A143 G144 F150 I151 W201 A204 I207 L208 | W117-V147 HydrophobicContact CB-CG2 3.94Å; W117-V147 HydrophobicContact CD2-CG2 3.71Å; W117-V147 HydrophobicContact CE3-CB 4.17Å; W117-V147 HydrophobicContact CE3-CG2 3.4Å; W117-V147 HydrophobicContact CG-CG2 3.95Å; W117-V147 HydrophobicContact CZ3-CB 4.5Å; W117-V147 HydrophobicContact CZ3-CG2 4.18Å; A143-V147 WeakPolarHBondContact O-CG2 3.26Å; A143-V147 PolarHBondContact O-N 2.75Å; G144-V147 PolarHBondContact O-N 3.06Å; V147-F150 PolarHBondContact O-N 3.28Å; V147-I151 HydrophobicContact CG1-CG1 4.48Å; V147-I151 WeakPolarHBondContact O-CG1 3.48Å; V147-I151 PolarHBondContact O-N 3.3Å; V147-W201 HydrophobicContact CG1-CH2 4.21Å; V147-W201 HydrophobicContact CG1-CZ3 4.39Å; V147-A204 HydrophobicContact CG1-CB 3.82Å; V147-A204 HydrophobicContact CG2-CB 4.07Å; V147-I207 HydrophobicContact CG2-CB 4.39Å; V147-I207 HydrophobicContact CG2-CD1 4.2Å; V147-I207 HydrophobicContact CG2-CG2 4.22Å; V147-L208 HydrophobicContact CB-CD2 4.41Å; V147-L208 HydrophobicContact CG1-CD1 3.77Å; V147-L208 HydrophobicContact CG1-CD2 3.79Å; V147-L208 HydrophobicContact CG1-CG 3.65Å |
| 148 | L | 98 | Very high | 96.6 | Very high | 22 Ų | 22 | 34.3 Ų | 34.3 | 12% | 0.115 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.5 | -40.9 | 177.4 | -71.6 | 168.4 | 0 | 0 | 0 | 111.6 | G144 D145 I151 S152 L208 D216 | G144-L148 WeakPolarHBondContact O-CB 3.43Å; G144-L148 VanDerWaalsContact O-CG 3.27Å; G144-L148 WeakPolarHBondContact O-CG 3.31Å; G144-L148 PolarHBondContact O-N 2.97Å; D145-L148 PolarHBondContact O-N 3.39Å; L148-I151 PolarHBondContact O-N 2.94Å; L148-S152 WeakPolarHBondContact O-CB 3.4Å; L148-S152 PolarHBondContact O-N 3.33Å; L148-L208 HydrophobicContact CD2-CD2 3.74Å; L148-L208 HydrophobicContact CG-CD2 4.26Å; L148-D216 HydrophobicContact CD1-CB 4.35Å; L148-D216 HydrophobicContact CD2-CB 4.11Å |
| 149 | H | 98.1 | Very high | 96.9 | Very high | 37 Ų | 37 | 33.5 Ų | 33.5 | 17% | 0.171 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.9 | -47.1 | 172.4 | 179.3 | 74.7 | 0 | 0 | 0 | 111.9 | L105 T106 D145 S152 Q153 | L105-H149 HydrophobicContact CB-CB 4.09Å; L105-H149 HydrophobicContact CD1-CB 3.79Å; T106-H149 PolarHBondContact N-NE2 2.98Å; T106-H149 PolarHBondContact OG1-CE1 2.9Å; T106-H149 PolarHBondContact OG1-NE2 2.91Å; D145-H149 VanDerWaalsContact O-CB 3.23Å; D145-H149 WeakPolarHBondContact O-CB 3.4Å; D145-H149 PolarHBondContact O-N 3.5Å; H149-S152 WeakPolarHBondContact O-CB 3.38Å; H149-S152 PolarHBondContact O-N 3.47Å; H149-Q153 WeakPolarHBondContact O-CB 3.41Å; H149-Q153 PolarHBondContact O-N 3.24Å |
| 150 | F | 98.4 | Very high | 97.1 | Very high | 7 Ų | 7 | 38.6 Ų | 38.6 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.7 | -46.2 | 175.9 | 175.3 | -115.6 | 0 | 0 | 0 | 112.8 | L109 W117 L146 V147 S152 Q153 C154 Y194 Y197 W201 | L109-F150 HydrophobicContact CD1-CD2 4.07Å; L109-F150 HydrophobicContact CD2-CB 3.95Å; L109-F150 HydrophobicContact CD2-CD2 4.21Å; L109-F150 HydrophobicContact CD2-CG 4.37Å; W117-F150 HydrophobicContact CH2-CB 3.81Å; W117-F150 AromaticContact CH2-CD1 3.43Å; W117-F150 HydrophobicContact CH2-CD1 3.43Å; W117-F150 VanDerWaalsContact CH2-CD1 3.43Å; W117-F150 HydrophobicContact CH2-CD2 4.3Å; W117-F150 HydrophobicContact CH2-CE1 4.02Å; W117-F150 AromaticContact CH2-CG 3.58Å; W117-F150 HydrophobicContact CH2-CG 3.58Å; W117-F150 HydrophobicContact CZ2-CD1 4.11Å; W117-F150 HydrophobicContact CZ2-CE1 4.33Å; W117-F150 HydrophobicContact CZ3-CB 3.84Å; W117-F150 HydrophobicContact CZ3-CD1 4.23Å; W117-F150 HydrophobicContact CZ3-CG 4.15Å; L146-F150 PolarHBondContact O-N 3.48Å; L146-F150 VanDerWaalsContact O-N 3.1Å; V147-F150 PolarHBondContact O-N 3.28Å; F150-S152 VanDerWaalsContact C-N 3.3Å; F150-S152 PolarHBondContact O-N 2.74Å; F150-Q153 PolarHBondContact O-N 2.96Å; F150-C154 WeakPolarHBondContact CE2-SG 3.22Å; F150-C154 VanDerWaalsContact CZ-SG 3.53Å; F150-C154 PolarHBondContact O-N 3.12Å; F150-C154 PolarHBondContact O-SG 3.26Å; F150-C154 VanDerWaalsContact O-SG 3.41Å; F150-Y194 AromaticContact CE1-CD1 3.68Å; F150-Y194 HydrophobicContact CE1-CD1 3.68Å; F150-Y194 AromaticContact CE1-CE1 3.9Å; F150-Y194 HydrophobicContact CE1-CE1 3.9Å; F150-Y194 AromaticContact CZ-CD1 3.99Å; F150-Y194 HydrophobicContact CZ-CD1 3.99Å; F150-Y197 HydrophobicContact CD2-CE2 4.28Å; F150-Y197 HydrophobicContact CE1-CD2 4.24Å; F150-Y197 AromaticContact CE2-CD2 3.77Å; F150-Y197 HydrophobicContact CE2-CD2 3.77Å; F150-Y197 AromaticContact CE2-CE2 3.44Å; F150-Y197 HydrophobicContact CE2-CE2 3.44Å; F150-Y197 VanDerWaalsContact CE2-CE2 3.44Å; F150-Y197 AromaticContact CZ-CD2 3.48Å; F150-Y197 HydrophobicContact CZ-CD2 3.48Å; F150-Y197 VanDerWaalsContact CZ-CD2 3.48Å; F150-Y197 AromaticContact CZ-CE2 3.69Å; F150-Y197 HydrophobicContact CZ-CE2 3.69Å; F150-W201 AromaticContact CD1-CH2 3.99Å; F150-W201 HydrophobicContact CD1-CH2 3.99Å; F150-W201 AromaticContact CD1-CZ3 3.62Å; F150-W201 HydrophobicContact CD1-CZ3 3.62Å; F150-W201 HydrophobicContact CE1-CE3 4.17Å; F150-W201 AromaticContact CE1-CH2 3.97Å; F150-W201 HydrophobicContact CE1-CH2 3.97Å; F150-W201 AromaticContact CE1-CZ3 3.5Å; F150-W201 HydrophobicContact CE1-CZ3 3.5Å |
| 151 | I | 98.3 | Very high | 97.4 | Very high | 13 Ų | 13 | 33.9 Ų | 33.9 | 7% | 0.067 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.4 | -43.7 | 174.5 | -73.6 | -67.2 | 0 | 0 | 0 | 110.9 | V147 L148 C154 N155 Y194 W201 L208 H220 | V147-I151 HydrophobicContact CG1-CG1 4.48Å; V147-I151 WeakPolarHBondContact O-CG1 3.48Å; V147-I151 PolarHBondContact O-N 3.3Å; L148-I151 PolarHBondContact O-N 2.94Å; I151-C154 PolarHBondContact O-N 2.85Å; I151-N155 WeakPolarHBondContact O-CB 3.19Å; I151-N155 PolarHBondContact O-N 3.18Å; I151-N155 PolarHBondContact O-OD1 2.94Å; I151-Y194 HydrophobicContact CD1-CE1 4.21Å; I151-W201 HydrophobicContact CD1-CH2 3.72Å; I151-W201 HydrophobicContact CD1-CZ2 3.98Å; I151-W201 HydrophobicContact CG1-CH2 4.26Å; I151-L208 HydrophobicContact CD1-CD1 4.38Å; I151-L208 HydrophobicContact CG1-CD1 4.17Å; I151-L208 HydrophobicContact CG1-CD2 4.44Å; I151-H220 HydrophobicContact CG2-CB 3.53Å |
| 152 | S | 97.9 | Very high | 97.7 | Very high | 46 Ų | 46 | 31.7 Ų | 31.7 | 32% | 0.322 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -60.2 | -49.4 | 176.4 | -163.2 | 0 | 0 | 0 | 0 | 111.3 | L148 H149 F150 C154 N155 S156 | L148-S152 WeakPolarHBondContact O-CB 3.4Å; L148-S152 PolarHBondContact O-N 3.33Å; H149-S152 WeakPolarHBondContact O-CB 3.38Å; H149-S152 PolarHBondContact O-N 3.47Å; F150-S152 VanDerWaalsContact C-N 3.3Å; F150-S152 PolarHBondContact O-N 2.74Å; S152-C154 PolarHBondContact O-N 3.35Å; S152-N155 PolarHBondContact O-N 3.43Å; S152-N155 VanDerWaalsContact O-N 3.15Å; S152-S156 PolarHBondContact O-N 3.3Å; S152-S156 PolarHBondContact O-OG 3.37Å |
| 153 | Q | 98.1 | Very high | 97.9 | Very high | 83 Ų | 83 | 32.7 Ų | 32.7 | 39% | 0.388 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.2 | -43.1 | 178.4 | -169.2 | -177.1 | 16.2 | 0 | 0 | 112.5 | H149 F150 N155 K157 | H149-Q153 WeakPolarHBondContact O-CB 3.41Å; H149-Q153 PolarHBondContact O-N 3.24Å; F150-Q153 PolarHBondContact O-N 2.96Å; Q153-N155 VanDerWaalsContact C-N 3.32Å; Q153-N155 PolarHBondContact O-N 3.39Å; Q153-K157 VanDerWaalsContact O-CB 3.3Å; Q153-K157 WeakPolarHBondContact O-CB 3.45Å; Q153-K157 PolarHBondContact O-N 3.03Å |
| 154 | C | 98.4 | Very high | 98 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 4% | 0.041 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.7 | -36.7 | 174.8 | -72.9 | 0 | 0 | 0 | 0 | 112.8 | F150 I151 S152 L158 R190 M193 | F150-C154 WeakPolarHBondContact CE2-SG 3.22Å; F150-C154 VanDerWaalsContact CZ-SG 3.53Å; F150-C154 PolarHBondContact O-N 3.12Å; F150-C154 PolarHBondContact O-SG 3.26Å; F150-C154 VanDerWaalsContact O-SG 3.41Å; I151-C154 PolarHBondContact O-N 2.85Å; S152-C154 PolarHBondContact O-N 3.35Å; C154-L158 WeakPolarHBondContact O-CB 3.47Å; C154-L158 PolarHBondContact O-N 2.7Å; C154-R190 VanDerWaalsContact CB-CZ 3.5Å; C154-M193 HydrophobicContact CB-CB 4.45Å; C154-M193 HydrophobicContact CB-SD 3.73Å; C154-M193 VanDerWaalsContact O-SD 3.37Å |
| 155 | N | 98.5 | Very high | 97.8 | Very high | 11 Ų | 11 | 39.6 Ų | 39.6 | 6% | 0.059 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -72.3 | -44.2 | 178.6 | -68 | 0.2 | 0 | 0 | 0 | 111.3 | I151 S152 Q153 K157 L158 T159 R190 H220 | I151-N155 WeakPolarHBondContact O-CB 3.19Å; I151-N155 PolarHBondContact O-N 3.18Å; I151-N155 PolarHBondContact O-OD1 2.94Å; S152-N155 PolarHBondContact O-N 3.43Å; S152-N155 VanDerWaalsContact O-N 3.15Å; Q153-N155 VanDerWaalsContact C-N 3.32Å; Q153-N155 PolarHBondContact O-N 3.39Å; N155-K157 PolarHBondContact O-N 3.19Å; N155-L158 WeakPolarHBondContact O-CB 3.19Å; N155-L158 PolarHBondContact O-N 3.03Å; N155-T159 PolarHBondContact O-N 3.24Å; N155-R190 PolarHBondContact OD1-NE 2.98Å; N155-R190 PolarHBondContact OD1-NH2 3.47Å; N155-R190 VanDerWaalsContact OD1-NH2 3.16Å; N155-H220 PolarHBondContact ND2-O 2.87Å; N155-H220 VanDerWaalsContact ND2-O 3.1Å |
| 156 | S | 98.2 | Very high | 97.7 | Very high | 61 Ų | 61 | 40.4 Ų | 40.4 | 43% | 0.427 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -57.4 | -48.5 | 173.2 | -60.7 | 0 | 0 | 0 | 0 | 111.4 | S152 L158 T159 E160 | S152-S156 PolarHBondContact O-N 3.3Å; S152-S156 PolarHBondContact O-OG 3.37Å; S156-L158 VanDerWaalsContact C-N 3.31Å; S156-L158 PolarHBondContact O-N 2.99Å; S156-T159 PolarHBondContact O-N 2.91Å; S156-T159 VanDerWaalsContact O-N 3.09Å; S156-E160 WeakPolarHBondContact O-CG 3.47Å; S156-E160 PolarHBondContact O-N 3.48Å |
| 157 | K | 98.5 | Very high | 97.5 | Very high | 116 Ų | 116 | 44.4 Ų | 44.4 | 50% | 0.504 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62 | -34.9 | 177.1 | -175.9 | 173.2 | -177.5 | 173.9 | 0 | 113.3 | Q153 N155 I161 M193 | Q153-K157 VanDerWaalsContact O-CB 3.3Å; Q153-K157 WeakPolarHBondContact O-CB 3.45Å; Q153-K157 PolarHBondContact O-N 3.03Å; N155-K157 PolarHBondContact O-N 3.19Å; K157-I161 HydrophobicContact CG-CD1 4.09Å; K157-I161 WeakPolarHBondContact O-CD1 3.43Å; K157-I161 VanDerWaalsContact O-CG1 3.26Å; K157-I161 WeakPolarHBondContact O-CG1 3.44Å; K157-I161 PolarHBondContact O-N 2.74Å; K157-I161 VanDerWaalsContact O-N 3.15Å; K157-M193 HydrophobicContact CB-CE 4.22Å; K157-M193 HydrophobicContact CB-SD 4.34Å; K157-M193 HydrophobicContact CD-CE 4.31Å; K157-M193 HydrophobicContact CD-SD 4.28Å; K157-M193 HydrophobicContact CG-CE 4.01Å; K157-M193 HydrophobicContact CG-SD 4.43Å |
| 158 | L | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.4 | -48 | 172.4 | -179.9 | 69 | 0 | 0 | 0 | 110.2 | C154 N155 S156 E160 I161 L162 T189 R190 M193 M224 I228 | C154-L158 WeakPolarHBondContact O-CB 3.47Å; C154-L158 PolarHBondContact O-N 2.7Å; N155-L158 WeakPolarHBondContact O-CB 3.19Å; N155-L158 PolarHBondContact O-N 3.03Å; S156-L158 VanDerWaalsContact C-N 3.31Å; S156-L158 PolarHBondContact O-N 2.99Å; L158-E160 VanDerWaalsContact C-N 3.31Å; L158-E160 PolarHBondContact O-N 3.44Å; L158-I161 PolarHBondContact O-N 2.73Å; L158-L162 HydrophobicContact CD1-CD1 4.26Å; L158-L162 HydrophobicContact CD1-CG 4.17Å; L158-L162 HydrophobicContact CD2-CD1 4.4Å; L158-L162 HydrophobicContact CG-CD1 3.98Å; L158-L162 HydrophobicContact CG-CG 4.2Å; L158-L162 VanDerWaalsContact O-CG 3.31Å; L158-L162 WeakPolarHBondContact O-CG 3.16Å; L158-L162 PolarHBondContact O-N 2.71Å; L158-T189 HydrophobicContact CD1-CG2 4Å; L158-R190 HydrophobicContact CD1-CB 4.08Å; L158-R190 HydrophobicContact CD2-CB 3.93Å; L158-R190 HydrophobicContact CD2-CG 4.07Å; L158-M193 HydrophobicContact CB-CE 4.13Å; L158-M224 HydrophobicContact CD2-CG 4.01Å; L158-I228 HydrophobicContact CD2-CD1 3.87Å; L158-I228 HydrophobicContact CD2-CG1 3.78Å |
| 159 | T | 98.3 | Very high | 97.1 | Very high | 32 Ų | 32 | 50.1 Ų | 50.1 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.1 | -32.7 | -178.7 | -76.3 | 0 | 0 | 0 | 0 | 112.6 | N155 S156 A163 D227 Y231 | N155-T159 PolarHBondContact O-N 3.24Å; S156-T159 PolarHBondContact O-N 2.91Å; S156-T159 VanDerWaalsContact O-N 3.09Å; T159-A163 VanDerWaalsContact O-CB 3.26Å; T159-A163 WeakPolarHBondContact O-CB 3.17Å; T159-A163 PolarHBondContact O-N 2.67Å; T159-D227 WeakPolarHBondContact OG1-CB 3.39Å; T159-D227 PolarHBondContact OG1-OD2 3.39Å; T159-Y231 HydrophobicContact CG2-CE2 4.08Å |
| 160 | E | 98.3 | Very high | 96.7 | Very high | 116 Ų | 116 | 54.8 Ų | 54.8 | 54% | 0.542 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.3 | -56.1 | 166.6 | -71.6 | 161.7 | -171.6 | 0 | 0 | 111.6 | S156 L158 L162 A163 E164 | S156-E160 WeakPolarHBondContact O-CG 3.47Å; S156-E160 PolarHBondContact O-N 3.48Å; L158-E160 VanDerWaalsContact C-N 3.31Å; L158-E160 PolarHBondContact O-N 3.44Å; E160-L162 VanDerWaalsContact C-N 3.3Å; E160-L162 PolarHBondContact O-N 3.01Å; E160-A163 WeakPolarHBondContact O-CB 3.41Å; E160-A163 PolarHBondContact O-N 2.78Å; E160-A163 VanDerWaalsContact O-N 3.08Å; E160-E164 WeakPolarHBondContact O-CG 3.32Å; E160-E164 PolarHBondContact O-N 2.92Å |
| 161 | I | 98.2 | Very high | 96.5 | Very high | 42 Ų | 42 | 60.2 Ų | 60.2 | 22% | 0.215 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.3 | -38.1 | -179.1 | -67.9 | 164.5 | 0 | 0 | 0 | 111.9 | K157 L158 Q165 T189 M193 | K157-I161 HydrophobicContact CG-CD1 4.09Å; K157-I161 WeakPolarHBondContact O-CD1 3.43Å; K157-I161 VanDerWaalsContact O-CG1 3.26Å; K157-I161 WeakPolarHBondContact O-CG1 3.44Å; K157-I161 PolarHBondContact O-N 2.74Å; K157-I161 VanDerWaalsContact O-N 3.15Å; L158-I161 PolarHBondContact O-N 2.73Å; I161-Q165 WeakPolarHBondContact O-CG 3.23Å; I161-Q165 PolarHBondContact O-N 3.33Å; I161-Q165 VanDerWaalsContact O-N 3.11Å; I161-T189 HydrophobicContact CD1-CG2 3.99Å; I161-T189 HydrophobicContact CG2-CG2 4.29Å; I161-M193 HydrophobicContact CD1-CE 4.25Å |
| 162 | L | 97.4 | Very high | 96.3 | Very high | 3 Ų | 3 | 62.9 Ų | 62.9 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -72.9 | -33 | 177 | -64.3 | -175 | 0 | 0 | 0 | 112.1 | L158 E160 H166 F182 A186 I228 Y231 | L158-L162 HydrophobicContact CD1-CD1 4.26Å; L158-L162 HydrophobicContact CD1-CG 4.17Å; L158-L162 HydrophobicContact CD2-CD1 4.4Å; L158-L162 HydrophobicContact CG-CD1 3.98Å; L158-L162 HydrophobicContact CG-CG 4.2Å; L158-L162 VanDerWaalsContact O-CG 3.31Å; L158-L162 WeakPolarHBondContact O-CG 3.16Å; L158-L162 PolarHBondContact O-N 2.71Å; E160-L162 VanDerWaalsContact C-N 3.3Å; E160-L162 PolarHBondContact O-N 3.01Å; L162-H166 WeakPolarHBondContact O-CB 3.44Å; L162-H166 PolarHBondContact O-N 2.83Å; L162-F182 HydrophobicContact CD1-CZ 4.37Å; L162-F182 HydrophobicContact CD2-CE1 4.47Å; L162-F182 HydrophobicContact CD2-CE2 4.33Å; L162-F182 HydrophobicContact CD2-CZ 3.79Å; L162-A186 HydrophobicContact CD1-CB 4.43Å; L162-A186 HydrophobicContact CD2-CB 4.12Å; L162-I228 HydrophobicContact CD1-CG1 4.11Å; L162-Y231 HydrophobicContact CB-CD1 4.4Å; L162-Y231 HydrophobicContact CB-CD2 3.51Å; L162-Y231 HydrophobicContact CB-CE2 4.01Å; L162-Y231 HydrophobicContact CB-CG 3.74Å; L162-Y231 HydrophobicContact CD1-CD2 3.98Å; L162-Y231 HydrophobicContact CG-CD2 4.41Å |
| 163 | A | 96.9 | Very high | 96 | Very high | 25 Ų | 25 | 67.4 Ų | 67.4 | 21% | 0.207 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.6 | -42.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T159 E160 H166 N167 Y231 | T159-A163 VanDerWaalsContact O-CB 3.26Å; T159-A163 WeakPolarHBondContact O-CB 3.17Å; T159-A163 PolarHBondContact O-N 2.67Å; E160-A163 WeakPolarHBondContact O-CB 3.41Å; E160-A163 PolarHBondContact O-N 2.78Å; E160-A163 VanDerWaalsContact O-N 3.08Å; A163-H166 PolarHBondContact O-N 3.27Å; A163-N167 WeakPolarHBondContact O-CB 3.5Å; A163-N167 PolarHBondContact O-N 3.29Å; A163-N167 PolarHBondContact O-ND2 2.87Å; A163-N167 VanDerWaalsContact O-ND2 3.1Å; A163-Y231 HydrophobicContact CB-CE1 4.1Å |
| 164 | E | 96.3 | Very high | 95.7 | Very high | 126 Ų | 126 | 65.2 Ų | 65.2 | 59% | 0.589 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -58.3 | -54.5 | 174.5 | -70.9 | 179.5 | 154.2 | 0 | 0 | 111.2 | E160 H166 N167 E168 | E160-E164 WeakPolarHBondContact O-CG 3.32Å; E160-E164 PolarHBondContact O-N 2.92Å; E164-H166 PolarHBondContact O-N 3.38Å; E164-N167 WeakPolarHBondContact O-CB 3.38Å; E164-N167 PolarHBondContact O-N 3.08Å; E164-E168 PolarHBondContact O-N 3.5Å |
| 165 | Q | 94.3 | Very high | 95.3 | Very high | 45 Ų | 45 | 73 Ų | 73 | 21% | 0.21 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.1 | -36 | 176.5 | -72 | 178.9 | 46.1 | 0 | 0 | 112.5 | I161 V169 | I161-Q165 WeakPolarHBondContact O-CG 3.23Å; I161-Q165 PolarHBondContact O-N 3.33Å; I161-Q165 VanDerWaalsContact O-N 3.11Å; Q165-V169 WeakPolarHBondContact O-CG2 3.43Å; Q165-V169 PolarHBondContact O-N 2.99Å |
| 166 | H | 93.7 | Very high | 94.9 | Very high | 57 Ų | 57 | 76.9 Ų | 76.9 | 26% | 0.264 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -69.6 | -38 | 176.9 | -171.2 | 67.3 | 0 | 0 | 0 | 112.3 | L162 A163 E164 V169 Q170 Y231 | L162-H166 WeakPolarHBondContact O-CB 3.44Å; L162-H166 PolarHBondContact O-N 2.83Å; A163-H166 PolarHBondContact O-N 3.27Å; E164-H166 PolarHBondContact O-N 3.38Å; H166-V169 PolarHBondContact O-N 3.36Å; H166-Q170 PolarHBondContact CD2-NE2 3.05Å; H166-Q170 PolarHBondContact NE2-NE2 3.08Å; H166-Q170 WeakPolarHBondContact O-CG 3.49Å; H166-Q170 PolarHBondContact O-N 3.04Å; H166-Y231 HydrophobicContact CB-CD1 3.82Å; H166-Y231 HydrophobicContact CB-CE1 4.27Å; H166-Y231 AromaticContact CG-CD1 4Å |
| 167 | N | 94.8 | Very high | 94.6 | Very high | 84 Ų | 84 | 78.6 Ų | 78.6 | 45% | 0.449 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -68.1 | -39.9 | 175.7 | -70.3 | -32.7 | 0 | 0 | 0 | 112 | A163 E164 V169 Q170 L171 | A163-N167 WeakPolarHBondContact O-CB 3.5Å; A163-N167 PolarHBondContact O-N 3.29Å; A163-N167 PolarHBondContact O-ND2 2.87Å; A163-N167 VanDerWaalsContact O-ND2 3.1Å; E164-N167 WeakPolarHBondContact O-CB 3.38Å; E164-N167 PolarHBondContact O-N 3.08Å; N167-V169 VanDerWaalsContact C-N 3.28Å; N167-V169 PolarHBondContact O-N 3.21Å; N167-Q170 PolarHBondContact O-N 3.37Å; N167-L171 WeakPolarHBondContact O-CB 3.38Å; N167-L171 VanDerWaalsContact O-CG 3.28Å; N167-L171 WeakPolarHBondContact O-CG 3.2Å; N167-L171 PolarHBondContact O-N 3.46Å |
| 168 | E | 93.7 | Very high | 94.3 | Very high | 91 Ų | 91 | 79.9 Ų | 79.9 | 43% | 0.425 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -57 | -41.6 | 173.4 | -70.5 | -178.8 | 154.8 | 0 | 0 | 112 | E164 L171 G172 Q173 A174 | E164-E168 PolarHBondContact O-N 3.5Å; E168-L171 PolarHBondContact O-N 3.4Å; E168-G172 PolarHBondContact O-N 3.22Å; E168-Q173 HydrophobicContact CB-CB 4.44Å; E168-Q173 WeakPolarHBondContact O-CB 3.15Å; E168-Q173 PolarHBondContact O-N 3.11Å; E168-A174 HydrophobicContact CB-CB 4.04Å; E168-A174 PolarHBondContact O-N 3.25Å |
| 169 | V | 93.1 | Very high | 94 | Very high | 50 Ų | 50 | 83.1 Ų | 83.1 | 30% | 0.303 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.5 | -41.6 | 175.8 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | Q165 H166 N167 L171 G172 A174 P176 | Q165-V169 WeakPolarHBondContact O-CG2 3.43Å; Q165-V169 PolarHBondContact O-N 2.99Å; H166-V169 PolarHBondContact O-N 3.36Å; N167-V169 VanDerWaalsContact C-N 3.28Å; N167-V169 PolarHBondContact O-N 3.21Å; V169-L171 VanDerWaalsContact C-N 3.3Å; V169-L171 PolarHBondContact O-N 2.92Å; V169-G172 PolarHBondContact O-N 3.02Å; V169-G172 VanDerWaalsContact O-N 3.17Å; V169-A174 WeakPolarHBondContact CA-O 3.33Å; V169-A174 HydrophobicContact CG2-CB 3.91Å; V169-P176 HydrophobicContact CG1-CB 4.06Å |
| 170 | Q | 90.8 | Very high | 93.8 | Very high | 136 Ų | 136 | 82.9 Ų | 82.9 | 64% | 0.636 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63.3 | -34.5 | 174.9 | -73.1 | -168.9 | 36.9 | 0 | 0 | 113 | H166 N167 G172 | H166-Q170 PolarHBondContact CD2-NE2 3.05Å; H166-Q170 PolarHBondContact NE2-NE2 3.08Å; H166-Q170 WeakPolarHBondContact O-CG 3.49Å; H166-Q170 PolarHBondContact O-N 3.04Å; N167-Q170 PolarHBondContact O-N 3.37Å; Q170-G172 PolarHBondContact O-N 3.43Å |
| 171 | L | 95.1 | Very high | 93.6 | Very high | 121 Ų | 121 | 80.3 Ų | 80.3 | 63% | 0.634 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -0.9 | 177.5 | -67 | 172.1 | 0 | 0 | 0 | 113.4 | N167 E168 V169 Q173 | N167-L171 WeakPolarHBondContact O-CB 3.38Å; N167-L171 VanDerWaalsContact O-CG 3.28Å; N167-L171 WeakPolarHBondContact O-CG 3.2Å; N167-L171 PolarHBondContact O-N 3.46Å; E168-L171 PolarHBondContact O-N 3.4Å; V169-L171 VanDerWaalsContact C-N 3.3Å; V169-L171 PolarHBondContact O-N 2.92Å; L171-Q173 VanDerWaalsContact C-N 3.25Å; L171-Q173 HydrophobicContact CB-CG 3.95Å; L171-Q173 PolarHBondContact O-N 2.85Å |
| 172 | G | 92.3 | Very high | 93.6 | Very high | 68 Ų | 68 | 79.4 Ų | 79.4 | 70% | 0.701 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 22.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | E168 V169 Q170 | E168-G172 PolarHBondContact O-N 3.22Å; V169-G172 PolarHBondContact O-N 3.02Å; V169-G172 VanDerWaalsContact O-N 3.17Å; Q170-G172 PolarHBondContact O-N 3.43Å |
| 173 | Q | 93.2 | Very high | 93.5 | Very high | 141 Ų | 141 | 80 Ų | 80 | 66% | 0.659 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -88.8 | -26.6 | 178.1 | -58.6 | -180 | 13.8 | 0 | 0 | 111.6 | E168 L171 | E168-Q173 HydrophobicContact CB-CB 4.44Å; E168-Q173 WeakPolarHBondContact O-CB 3.15Å; E168-Q173 PolarHBondContact O-N 3.11Å; L171-Q173 VanDerWaalsContact C-N 3.25Å; L171-Q173 HydrophobicContact CB-CG 3.95Å; L171-Q173 PolarHBondContact O-N 2.85Å |
| 174 | A | 91.4 | Very high | 93.5 | Very high | 37 Ų | 37 | 81.6 Ų | 81.6 | 31% | 0.306 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -128.2 | 148.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | E168 V169 | E168-A174 HydrophobicContact CB-CB 4.04Å; E168-A174 PolarHBondContact O-N 3.25Å; V169-A174 WeakPolarHBondContact CA-O 3.33Å; V169-A174 HydrophobicContact CG2-CB 3.91Å |
| 175 | E | 90.2 | Very high | 93.6 | Very high | 170 Ų | 170 | 77.7 Ų | 77.7 | 79% | 0.794 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -79.5 | 143.5 | 171.4 | -74.2 | -72.2 | 155.5 | 0 | 0 | 110.8 | K177 | E175-K177 PolarHBondContact O-N 3.21Å; E175-K177 VanDerWaalsContact O-N 3.17Å |
| 176 | P | 90 | Very high | 93.8 | Very high | 93 Ų | 93 | 75.6 Ų | 75.6 | 60% | 0.604 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 116 | 177.9 | 26.4 | -33.7 | 0 | 0 | 0 | 111.6 | V169 | V169-P176 HydrophobicContact CG1-CB 4.06Š|
| 177 | K | 92.2 | Very high | 94 | Very high | 96 Ų | 96 | 72.9 Ų | 72.9 | 42% | 0.417 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 149.2 | 172.5 | -64.6 | -179.1 | -175.9 | 177.7 | 0 | 111 | E175 F182 D185 | E175-K177 PolarHBondContact O-N 3.21Å; E175-K177 VanDerWaalsContact O-N 3.17Å; K177-F182 HydrophobicContact CB-CB 4.18Å; K177-D185 WeakPolarHBondContact CE-OD2 3.49Å; K177-D185 IonicContact NZ-OD2 2.72Å; K177-D185 PolarHBondContact NZ-OD2 3.47Å |
| 178 | K | 92.3 | Very high | 94.2 | Very high | 144 Ų | 144 | 70.2 Ų | 70.2 | 63% | 0.626 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 152.3 | 168.6 | -51 | -174.6 | -149.8 | 85.9 | 0 | 109.3 | A180 D181 F182 | K178-A180 VanDerWaalsContact C-N 3.25Å; K178-A180 PolarHBondContact O-N 2.98Å; K178-A180 VanDerWaalsContact O-N 3.17Å; K178-D181 HydrophobicContact CB-CB 4.46Å; K178-D181 WeakPolarHBondContact CB-OD2 3.43Å; K178-D181 WeakPolarHBondContact CG-OD2 3.46Å; K178-D181 IonicContact NZ-OD1 2.84Å; K178-D181 IonicContact NZ-OD2 3.84Å; K178-D181 PolarHBondContact NZ-OD2 3.39Å; K178-D181 PolarHBondContact O-N 3.19Å; K178-D181 VanDerWaalsContact O-N 3.12Å; K178-F182 WeakPolarHBondContact O-CB 3.33Å; K178-F182 PolarHBondContact O-N 3.09Å |
| 179 | T | 92.2 | Very high | 94.4 | Very high | 68 Ų | 68 | 67.8 Ų | 67.8 | 42% | 0.417 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -54.9 | -37.7 | -179.8 | -46 | 0 | 0 | 0 | 0 | 113.4 | L183 W229 A232 | T179-L183 HydrophobicContact CG2-CD1 4.15Å; T179-L183 HydrophobicContact CG2-CG 4.38Å; T179-L183 WeakPolarHBondContact O-CB 3.3Å; T179-L183 WeakPolarHBondContact O-CG 3.46Å; T179-L183 PolarHBondContact O-N 2.86Å; T179-W229 HydrophobicContact CG2-CH2 4.4Å; T179-W229 HydrophobicContact CG2-CZ3 3.77Å; T179-A232 HydrophobicContact CG2-CB 4.46Å |
| 180 | A | 93.1 | Very high | 94.7 | Very high | 27 Ų | 27 | 65.5 Ų | 65.5 | 22% | 0.223 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63 | -54.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K178 F182 L183 R184 I278 | K178-A180 VanDerWaalsContact C-N 3.25Å; K178-A180 PolarHBondContact O-N 2.98Å; K178-A180 VanDerWaalsContact O-N 3.17Å; A180-F182 VanDerWaalsContact C-N 3.28Å; A180-F182 PolarHBondContact O-N 2.98Å; A180-L183 PolarHBondContact O-N 2.73Å; A180-R184 WeakPolarHBondContact O-CB 3.43Å; A180-R184 PolarHBondContact O-N 2.89Å; A180-I278 HydrophobicContact CB-CG2 3.68Å |
| 181 | D | 95.1 | Very high | 95 | Very high | 62 Ų | 62 | 59 Ų | 59 | 33% | 0.332 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.6 | -39.7 | 178.4 | -43.6 | -14.7 | 0 | 0 | 0 | 111 | K178 R184 D185 | K178-D181 HydrophobicContact CB-CB 4.46Å; K178-D181 WeakPolarHBondContact CB-OD2 3.43Å; K178-D181 WeakPolarHBondContact CG-OD2 3.46Å; K178-D181 IonicContact NZ-OD1 2.84Å; K178-D181 IonicContact NZ-OD2 3.84Å; K178-D181 PolarHBondContact NZ-OD2 3.39Å; K178-D181 PolarHBondContact O-N 3.19Å; K178-D181 VanDerWaalsContact O-N 3.12Å; D181-R184 WeakPolarHBondContact O-CB 3.3Å; D181-D185 PolarHBondContact O-N 2.97Å |
| 182 | F | 96.6 | Very high | 95.2 | Very high | 23 Ų | 23 | 56.9 Ų | 56.9 | 10% | 0.101 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.3 | -48.2 | 175.9 | -177 | -82.1 | 0 | 0 | 0 | 113.1 | L162 K177 K178 A180 R184 D185 A186 I228 A232 | L162-F182 HydrophobicContact CD1-CZ 4.37Å; L162-F182 HydrophobicContact CD2-CE1 4.47Å; L162-F182 HydrophobicContact CD2-CE2 4.33Å; L162-F182 HydrophobicContact CD2-CZ 3.79Å; K177-F182 HydrophobicContact CB-CB 4.18Å; K178-F182 WeakPolarHBondContact O-CB 3.33Å; K178-F182 PolarHBondContact O-N 3.09Å; A180-F182 VanDerWaalsContact C-N 3.28Å; A180-F182 PolarHBondContact O-N 2.98Å; F182-R184 VanDerWaalsContact C-N 3.26Å; F182-R184 PolarHBondContact O-N 3.49Å; F182-D185 PolarHBondContact O-N 3.29Å; F182-A186 HydrophobicContact CE1-CB 4.31Å; F182-A186 WeakPolarHBondContact O-CB 3.37Å; F182-A186 PolarHBondContact O-N 2.9Å; F182-I228 HydrophobicContact CE1-CG2 4.4Å; F182-I228 WeakPolarHBondContact CE1-O 3.37Å; F182-A232 HydrophobicContact CD1-CB 3.51Å; F182-A232 HydrophobicContact CE1-CB 3.67Å; F182-A232 HydrophobicContact CG-CB 4.33Å |
| 183 | L | 96.5 | Very high | 95.5 | Very high | 17 Ų | 17 | 55 Ų | 55 | 9% | 0.089 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.7 | -36.6 | 179.6 | -72.7 | 175 | 0 | 0 | 0 | 111.5 | T179 A180 V187 I228 W229 L248 | T179-L183 HydrophobicContact CG2-CD1 4.15Å; T179-L183 HydrophobicContact CG2-CG 4.38Å; T179-L183 WeakPolarHBondContact O-CB 3.3Å; T179-L183 WeakPolarHBondContact O-CG 3.46Å; T179-L183 PolarHBondContact O-N 2.86Å; A180-L183 PolarHBondContact O-N 2.73Å; L183-V187 WeakPolarHBondContact O-CB 3.44Å; L183-V187 VanDerWaalsContact O-CG2 3.3Å; L183-V187 WeakPolarHBondContact O-CG2 3.3Å; L183-V187 PolarHBondContact O-N 2.85Å; L183-I228 HydrophobicContact CD2-CG2 3.53Å; L183-W229 HydrophobicContact CD1-CH2 3.69Å; L183-W229 HydrophobicContact CD1-CZ2 4.05Å; L183-W229 HydrophobicContact CD1-CZ3 4.13Å; L183-L248 HydrophobicContact CD2-CD1 4.17Å; L183-L248 HydrophobicContact CD2-CD2 3.88Å |
| 184 | R | 97.4 | Very high | 95.7 | Very high | 58 Ų | 58 | 48.5 Ų | 48.5 | 22% | 0.219 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.7 | -59.3 | 173.1 | -177.3 | -152.2 | 174.5 | -72.2 | -22.5 | 110.6 | A180 D181 F182 A186 V187 E188 L274 D275 I278 | A180-R184 WeakPolarHBondContact O-CB 3.43Å; A180-R184 PolarHBondContact O-N 2.89Å; D181-R184 WeakPolarHBondContact O-CB 3.3Å; F182-R184 VanDerWaalsContact C-N 3.26Å; F182-R184 PolarHBondContact O-N 3.49Å; R184-A186 VanDerWaalsContact C-N 3.32Å; R184-A186 PolarHBondContact O-N 2.81Å; R184-V187 PolarHBondContact O-N 3Å; R184-E188 IonicContact CZ-OE2 3.22Å; R184-E188 IonicContact NH1-OE2 3.72Å; R184-E188 PolarHBondContact NH1-OE2 2.98Å; R184-E188 IonicContact NH2-OE2 3.67Å; R184-E188 PolarHBondContact NH2-OE2 3.44Å; R184-E188 PolarHBondContact O-N 3.26Å; R184-L274 HydrophobicContact CG-CD2 4.37Å; R184-D275 WeakPolarHBondContact CD-OD1 3.39Å; R184-D275 WeakPolarHBondContact CG-OD1 3.38Å; R184-D275 IonicContact CZ-OD1 2.69Å; R184-D275 IonicContact NE-OD1 3.43Å; R184-D275 PolarHBondContact NE-OD1 2.99Å; R184-D275 IonicContact NE-OD2 2.74Å; R184-I278 HydrophobicContact CB-CD1 3.5Å; R184-I278 HydrophobicContact CG-CD1 4.16Å |
| 185 | D | 97.6 | Very high | 95.9 | Very high | 44 Ų | 44 | 49.7 Ų | 49.7 | 24% | 0.235 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.6 | -36.7 | -174.7 | -67.1 | -8.2 | 0 | 0 | 0 | 112 | K177 D181 F182 T189 | K177-D185 WeakPolarHBondContact CE-OD2 3.49Å; K177-D185 IonicContact NZ-OD2 2.72Å; K177-D185 PolarHBondContact NZ-OD2 3.47Å; D181-D185 PolarHBondContact O-N 2.97Å; F182-D185 PolarHBondContact O-N 3.29Å; D185-T189 WeakPolarHBondContact O-CB 3.41Å; D185-T189 PolarHBondContact O-N 3.27Å; D185-T189 PolarHBondContact O-OG1 3.32Å |
| 186 | A | 98.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.6 | -43.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L162 F182 R184 R190 I228 | L162-A186 HydrophobicContact CD1-CB 4.43Å; L162-A186 HydrophobicContact CD2-CB 4.12Å; F182-A186 HydrophobicContact CE1-CB 4.31Å; F182-A186 WeakPolarHBondContact O-CB 3.37Å; F182-A186 PolarHBondContact O-N 2.9Å; R184-A186 VanDerWaalsContact C-N 3.32Å; R184-A186 PolarHBondContact O-N 2.81Å; A186-R190 WeakPolarHBondContact O-CB 3.18Å; A186-R190 PolarHBondContact O-N 3.01Å; A186-I228 HydrophobicContact CB-CG1 4.25Å; A186-I228 HydrophobicContact CB-CG2 3.95Å |
| 187 | V | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69 | -42.3 | 177.4 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | L183 R184 R190 L191 L248 L251 Y252 L274 | L183-V187 WeakPolarHBondContact O-CB 3.44Å; L183-V187 VanDerWaalsContact O-CG2 3.3Å; L183-V187 WeakPolarHBondContact O-CG2 3.3Å; L183-V187 PolarHBondContact O-N 2.85Å; R184-V187 PolarHBondContact O-N 3Å; V187-R190 PolarHBondContact O-N 3.44Å; V187-L191 HydrophobicContact CG1-CD1 3.78Å; V187-L191 HydrophobicContact CG1-CG 4.33Å; V187-L191 WeakPolarHBondContact O-CB 3.34Å; V187-L191 WeakPolarHBondContact O-CG 3.48Å; V187-L191 PolarHBondContact O-N 2.77Å; V187-L248 HydrophobicContact CG2-CD1 3.98Å; V187-L251 HydrophobicContact CG1-CD2 4.41Å; V187-L251 HydrophobicContact CG2-CD2 4.25Å; V187-Y252 HydrophobicContact CG1-CD2 4.16Å; V187-Y252 HydrophobicContact CG2-CD2 4.5Å; V187-L274 HydrophobicContact CB-CD1 4.12Å; V187-L274 HydrophobicContact CB-CD2 4.21Å; V187-L274 HydrophobicContact CG1-CD1 3.69Å; V187-L274 HydrophobicContact CG1-CD2 3.98Å |
| 188 | E | 98.4 | Very high | 96.7 | Very high | 27 Ų | 27 | 40 Ų | 40 | 13% | 0.126 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.8 | -48.3 | 173.6 | 179.3 | 176.4 | 167.2 | 0 | 0 | 111.3 | R184 R190 L191 R192 W271 L274 | R184-E188 IonicContact CZ-OE2 3.22Å; R184-E188 IonicContact NH1-OE2 3.72Å; R184-E188 PolarHBondContact NH1-OE2 2.98Å; R184-E188 IonicContact NH2-OE2 3.67Å; R184-E188 PolarHBondContact NH2-OE2 3.44Å; R184-E188 PolarHBondContact O-N 3.26Å; E188-R190 VanDerWaalsContact C-N 3.26Å; E188-R190 PolarHBondContact O-N 3.43Å; E188-L191 PolarHBondContact O-N 2.77Å; E188-R192 HydrophobicContact CG-CG 4.15Å; E188-R192 WeakPolarHBondContact O-CB 3.43Å; E188-R192 VanDerWaalsContact O-CG 3.29Å; E188-R192 WeakPolarHBondContact O-CG 3.47Å; E188-R192 PolarHBondContact O-N 3.1Å; E188-R192 IonicContact OE1-CZ 2.71Å; E188-R192 IonicContact OE1-NE 2.75Å; E188-R192 PolarHBondContact OE1-NE 2.99Å; E188-R192 IonicContact OE1-NH2 3.43Å; E188-R192 PolarHBondContact OE1-NH2 3.2Å; E188-W271 HydrophobicContact CB-CE3 4.11Å; E188-W271 HydrophobicContact CB-CZ3 4.08Å; E188-W271 HydrophobicContact CG-CD2 3.97Å; E188-W271 HydrophobicContact CG-CE3 3.85Å; E188-W271 HydrophobicContact CG-CH2 3.98Å; E188-W271 HydrophobicContact CG-CZ2 4.06Å; E188-W271 HydrophobicContact CG-CZ3 3.86Å; E188-L274 HydrophobicContact CB-CD2 4.28Å |
| 189 | T | 98.6 | Very high | 96.9 | Very high | 40 Ų | 40 | 42.8 Ų | 42.8 | 25% | 0.245 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.4 | -42 | 178.3 | -62 | 0 | 0 | 0 | 0 | 111.5 | L158 I161 D185 M193 | L158-T189 HydrophobicContact CD1-CG2 4Å; I161-T189 HydrophobicContact CD1-CG2 3.99Å; I161-T189 HydrophobicContact CG2-CG2 4.29Å; D185-T189 WeakPolarHBondContact O-CB 3.41Å; D185-T189 PolarHBondContact O-N 3.27Å; D185-T189 PolarHBondContact O-OG1 3.32Å; T189-M193 HydrophobicContact CG2-CE 4.23Å; T189-M193 WeakPolarHBondContact O-CG 3.45Å |
| 190 | R | 98.6 | Very high | 97.1 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 1% | 0.011 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -72.9 | -38.3 | -179.7 | -177.8 | 54.3 | -172.5 | 72.5 | 6.5 | 113.6 | C154 N155 L158 A186 V187 E188 M193 Y194 M224 Y252 | C154-R190 VanDerWaalsContact CB-CZ 3.5Å; N155-R190 PolarHBondContact OD1-NE 2.98Å; N155-R190 PolarHBondContact OD1-NH2 3.47Å; N155-R190 VanDerWaalsContact OD1-NH2 3.16Å; L158-R190 HydrophobicContact CD1-CB 4.08Å; L158-R190 HydrophobicContact CD2-CB 3.93Å; L158-R190 HydrophobicContact CD2-CG 4.07Å; A186-R190 WeakPolarHBondContact O-CB 3.18Å; A186-R190 PolarHBondContact O-N 3.01Å; V187-R190 PolarHBondContact O-N 3.44Å; E188-R190 VanDerWaalsContact C-N 3.26Å; E188-R190 PolarHBondContact O-N 3.43Å; R190-M193 WeakPolarHBondContact O-CB 3.44Å; R190-Y194 PolarHBondContact NH2-OH 2.74Å; R190-M224 HydrophobicContact CG-SD 3.64Å; R190-Y252 HydrophobicContact CB-CE2 4.33Å; R190-Y252 HydrophobicContact CG-CE2 3.79Å; R190-Y252 PolarHBondContact NH1-OH 2.99Å |
| 191 | L | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -75.3 | -33.8 | 178.3 | -71.4 | 176.6 | 0 | 0 | 0 | 112.2 | V187 E188 M193 Y194 Y252 T255 E256 M259 W271 | V187-L191 HydrophobicContact CG1-CD1 3.78Å; V187-L191 HydrophobicContact CG1-CG 4.33Å; V187-L191 WeakPolarHBondContact O-CB 3.34Å; V187-L191 WeakPolarHBondContact O-CG 3.48Å; V187-L191 PolarHBondContact O-N 2.77Å; E188-L191 PolarHBondContact O-N 2.77Å; L191-M193 PolarHBondContact O-N 3.06Å; L191-M193 VanDerWaalsContact O-N 3.08Å; L191-Y194 HydrophobicContact CD2-CD2 3.92Å; L191-Y194 HydrophobicContact CD2-CE2 3.66Å; L191-Y194 WeakPolarHBondContact O-CB 3.39Å; L191-Y194 PolarHBondContact O-N 2.7Å; L191-Y252 HydrophobicContact CD2-CD2 4.4Å; L191-Y252 HydrophobicContact CD2-CE1 4.42Å; L191-Y252 HydrophobicContact CD2-CE2 3.66Å; L191-Y252 HydrophobicContact CG-CE2 3.95Å; L191-T255 HydrophobicContact CD1-CG2 3.52Å; L191-E256 HydrophobicContact CD2-CB 3.95Å; L191-E256 HydrophobicContact CD2-CG 4.28Å; L191-M259 HydrophobicContact CB-SD 3.9Å; L191-W271 HydrophobicContact CB-CH2 4.05Å; L191-W271 HydrophobicContact CB-CZ3 4.16Å; L191-W271 HydrophobicContact CD1-CZ3 4.26Å |
| 192 | R | 98.4 | Very high | 97.4 | Very high | 75 Ų | 75 | 39.3 Ų | 39.3 | 28% | 0.283 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.2 | -22.2 | 173.3 | -78 | -175.9 | 175.8 | -80.9 | 1.6 | 113.6 | E188 Y194 I195 D266 W271 | E188-R192 HydrophobicContact CG-CG 4.15Å; E188-R192 WeakPolarHBondContact O-CB 3.43Å; E188-R192 VanDerWaalsContact O-CG 3.29Å; E188-R192 WeakPolarHBondContact O-CG 3.47Å; E188-R192 PolarHBondContact O-N 3.1Å; E188-R192 IonicContact OE1-CZ 2.71Å; E188-R192 IonicContact OE1-NE 2.75Å; E188-R192 PolarHBondContact OE1-NE 2.99Å; E188-R192 IonicContact OE1-NH2 3.43Å; E188-R192 PolarHBondContact OE1-NH2 3.2Å; R192-Y194 PolarHBondContact O-N 3.02Å; R192-I195 HydrophobicContact CB-CD1 4.07Å; R192-I195 HydrophobicContact CG-CD1 3.93Å; R192-I195 WeakPolarHBondContact O-CB 3.4Å; R192-I195 WeakPolarHBondContact O-CG1 3.38Å; R192-I195 PolarHBondContact O-N 2.71Å; R192-D266 IonicContact CZ-OD1 2.82Å; R192-D266 IonicContact CZ-OD2 2.66Å; R192-D266 IonicContact NH1-OD1 3.03Å; R192-D266 PolarHBondContact NH1-OD1 3.19Å; R192-D266 IonicContact NH1-OD2 2.82Å; R192-D266 PolarHBondContact NH1-OD2 3.42Å; R192-D266 IonicContact NH2-OD1 3.04Å; R192-D266 IonicContact NH2-OD2 2.79Å; R192-D266 PolarHBondContact NH2-OD2 3.07Å; R192-W271 HydrophobicContact CG-CH2 4.02Å; R192-W271 HydrophobicContact CG-CZ2 3.82Å |
| 193 | M | 98.3 | Very high | 97.5 | Very high | 29 Ų | 29 | 41.8 Ų | 41.8 | 14% | 0.143 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -20.2 | 174.8 | -52.4 | -166.4 | -172.2 | 0 | 0 | 113.5 | C154 K157 L158 I161 T189 R190 L191 | C154-M193 HydrophobicContact CB-CB 4.45Å; C154-M193 HydrophobicContact CB-SD 3.73Å; C154-M193 VanDerWaalsContact O-SD 3.37Å; K157-M193 HydrophobicContact CB-CE 4.22Å; K157-M193 HydrophobicContact CB-SD 4.34Å; K157-M193 HydrophobicContact CD-CE 4.31Å; K157-M193 HydrophobicContact CD-SD 4.28Å; K157-M193 HydrophobicContact CG-CE 4.01Å; K157-M193 HydrophobicContact CG-SD 4.43Å; L158-M193 HydrophobicContact CB-CE 4.13Å; I161-M193 HydrophobicContact CD1-CE 4.25Å; T189-M193 HydrophobicContact CG2-CE 4.23Å; T189-M193 WeakPolarHBondContact O-CG 3.45Å; R190-M193 WeakPolarHBondContact O-CB 3.44Å; L191-M193 PolarHBondContact O-N 3.06Å; L191-M193 VanDerWaalsContact O-N 3.08Å |
| 194 | Y | 97.5 | Very high | 97.5 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -15.2 | 176.4 | -59.1 | -33.7 | 0 | 0 | 0 | 113.9 | F150 I151 R190 L191 R192 P196 Y197 M198 W201 Y252 E256 | F150-Y194 AromaticContact CE1-CD1 3.68Å; F150-Y194 HydrophobicContact CE1-CD1 3.68Å; F150-Y194 AromaticContact CE1-CE1 3.9Å; F150-Y194 HydrophobicContact CE1-CE1 3.9Å; F150-Y194 AromaticContact CZ-CD1 3.99Å; F150-Y194 HydrophobicContact CZ-CD1 3.99Å; I151-Y194 HydrophobicContact CD1-CE1 4.21Å; R190-Y194 PolarHBondContact NH2-OH 2.74Å; L191-Y194 HydrophobicContact CD2-CD2 3.92Å; L191-Y194 HydrophobicContact CD2-CE2 3.66Å; L191-Y194 WeakPolarHBondContact O-CB 3.39Å; L191-Y194 PolarHBondContact O-N 2.7Å; R192-Y194 PolarHBondContact O-N 3.02Å; Y194-P196 VanDerWaalsContact C-CD 3.41Å; Y194-P196 VanDerWaalsContact C-N 3.33Å; Y194-P196 VanDerWaalsContact O-N 3.15Å; Y194-Y197 CarbonylContact O-C 3.53Å; Y194-Y197 WeakPolarHBondContact O-CA 3.34Å; Y194-Y197 PolarHBondContact O-N 2.75Å; Y194-M198 WeakPolarHBondContact O-CG 3.27Å; Y194-M198 PolarHBondContact O-N 3.22Å; Y194-W201 HydrophobicContact CD1-CD2 4.25Å; Y194-W201 HydrophobicContact CD1-CE3 4.38Å; Y194-W201 HydrophobicContact CD1-CH2 4.29Å; Y194-W201 HydrophobicContact CD1-CZ2 4.1Å; Y194-W201 HydrophobicContact CD1-CZ3 4.41Å; Y194-W201 AromaticContact CD2-NE1 3.8Å; Y194-W201 HydrophobicContact CE1-CD2 4.35Å; Y194-W201 AromaticContact CE1-CE2 3.72Å; Y194-W201 AromaticContact CE1-CH2 3.68Å; Y194-W201 HydrophobicContact CE1-CH2 3.68Å; Y194-W201 AromaticContact CE1-CZ2 3.38Å; Y194-W201 HydrophobicContact CE1-CZ2 3.38Å; Y194-W201 HydrophobicContact CE1-CZ3 4.22Å; Y194-W201 AromaticContact CE2-CE2 3.84Å; Y194-W201 HydrophobicContact CE2-CZ2 4.07Å; Y194-W201 AromaticContact CE2-NE1 3.53Å; Y194-W201 HydrophobicContact CG-CD2 4.34Å; Y194-W201 AromaticContact CZ-CE2 3.56Å; Y194-W201 AromaticContact CZ-CZ2 3.32Å; Y194-W201 AromaticContact CZ-NE1 3.73Å; Y194-W201 VanDerWaalsContact OH-CZ2 3.28Å; Y194-W201 WeakPolarHBondContact OH-CZ2 3.36Å; Y194-Y252 WeakPolarHBondContact CE2-OH 3.39Å; Y194-Y252 PolarHBondContact OH-OH 3.07Å; Y194-E256 HydrophobicContact CE2-CG 4.04Å; Y194-E256 WeakPolarHBondContact CE2-OE1 3.16Å; Y194-E256 PolarHBondContact OH-OE1 2.77Å |
| 195 | I | 96.9 | Very high | 97.5 | Very high | 63 Ų | 63 | 39.8 Ų | 39.8 | 32% | 0.323 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -49.6 | -42.7 | -174 | -68.1 | 176.2 | 0 | 0 | 0 | 113.6 | R192 Y197 M259 F267 | R192-I195 HydrophobicContact CB-CD1 4.07Å; R192-I195 HydrophobicContact CG-CD1 3.93Å; R192-I195 WeakPolarHBondContact O-CB 3.4Å; R192-I195 WeakPolarHBondContact O-CG1 3.38Å; R192-I195 PolarHBondContact O-N 2.71Å; I195-Y197 PolarHBondContact O-N 2.78Å; I195-M259 HydrophobicContact CD1-CE 4.28Å; I195-M259 HydrophobicContact CG1-CE 3.68Å; I195-F267 HydrophobicContact CD1-CD2 4.07Å; I195-F267 HydrophobicContact CD1-CE2 3.94Å; I195-F267 HydrophobicContact CG1-CD2 4.3Å; I195-F267 HydrophobicContact CG1-CE2 3.77Å; I195-F267 HydrophobicContact CG1-CZ 4.47Å; I195-F267 HydrophobicContact CG2-CE2 4.43Å |
| 196 | P | 96.6 | Very high | 97.5 | Very high | 88 Ų | 88 | 41 Ų | 41 | 57% | 0.571 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -65.6 | -14.5 | 177.5 | -21.2 | 34.3 | 0 | 0 | 0 | 115.4 | Y194 | Y194-P196 VanDerWaalsContact C-CD 3.41Å; Y194-P196 VanDerWaalsContact C-N 3.33Å; Y194-P196 VanDerWaalsContact O-N 3.15Å |
| 197 | Y | 97.2 | Very high | 97.5 | Very high | 36 Ų | 36 | 41.8 Ų | 41.8 | 14% | 0.141 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -123.8 | 7 | -171.2 | -51 | -71.8 | 0 | 0 | 0 | 113.4 | L109 V112 P113 W117 F150 Y194 I195 E199 S200 W201 | L109-Y197 WeakPolarHBondContact O-CE1 3.28Å; V112-Y197 HydrophobicContact CB-CD1 4.11Å; V112-Y197 HydrophobicContact CB-CE1 4.15Å; V112-Y197 HydrophobicContact CG1-CD1 3.76Å; V112-Y197 HydrophobicContact CG1-CE1 4.3Å; P113-Y197 HydrophobicContact CG-CD1 4.25Å; P113-Y197 HydrophobicContact CG-CE1 4.23Å; W117-Y197 HydrophobicContact CZ2-CD1 4.36Å; W117-Y197 HydrophobicContact CZ2-CG 4.12Å; F150-Y197 HydrophobicContact CD2-CE2 4.28Å; F150-Y197 HydrophobicContact CE1-CD2 4.24Å; F150-Y197 AromaticContact CE2-CD2 3.77Å; F150-Y197 HydrophobicContact CE2-CD2 3.77Å; F150-Y197 AromaticContact CE2-CE2 3.44Å; F150-Y197 HydrophobicContact CE2-CE2 3.44Å; F150-Y197 VanDerWaalsContact CE2-CE2 3.44Å; F150-Y197 AromaticContact CZ-CD2 3.48Å; F150-Y197 HydrophobicContact CZ-CD2 3.48Å; F150-Y197 VanDerWaalsContact CZ-CD2 3.48Å; F150-Y197 AromaticContact CZ-CE2 3.69Å; F150-Y197 HydrophobicContact CZ-CE2 3.69Å; Y194-Y197 CarbonylContact O-C 3.53Å; Y194-Y197 WeakPolarHBondContact O-CA 3.34Å; Y194-Y197 PolarHBondContact O-N 2.75Å; I195-Y197 PolarHBondContact O-N 2.78Å; Y197-E199 VanDerWaalsContact C-N 3.28Å; Y197-E199 PolarHBondContact O-N 3.46Å; Y197-E199 VanDerWaalsContact O-N 3.15Å; Y197-S200 CarbonylContact O-C 3.53Å; Y197-S200 PolarHBondContact O-N 3.38Å; Y197-S200 PolarHBondContact O-OG 3.27Å; Y197-W201 PolarHBondContact O-N 2.99Å |
| 198 | M | 95.5 | Very high | 97.4 | Very high | 32 Ų | 32 | 42.8 Ų | 42.8 | 16% | 0.158 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -37.6 | -170.5 | -74.4 | -62.9 | -60.9 | 0 | 0 | 114.4 | Y194 S200 W201 P202 M259 L260 F267 | Y194-M198 WeakPolarHBondContact O-CG 3.27Å; Y194-M198 PolarHBondContact O-N 3.22Å; M198-S200 PolarHBondContact O-N 2.73Å; M198-W201 PolarHBondContact O-N 2.92Å; M198-P202 WeakPolarHBondContact O-CD 3.37Å; M198-M259 HydrophobicContact CE-CB 4.29Å; M198-M259 HydrophobicContact CE-CE 4.47Å; M198-M259 HydrophobicContact CE-CG 3.78Å; M198-M259 VanDerWaalsContact CE-O 3.25Å; M198-M259 WeakPolarHBondContact CE-O 3.27Å; M198-M259 HydrophobicContact CE-SD 4.35Å; M198-M259 HydrophobicContact SD-CE 4.01Å; M198-M259 HydrophobicContact SD-CG 4.39Å; M198-M259 HydrophobicContact SD-SD 4.2Å; M198-L260 HydrophobicContact CE-CD2 4.09Å; M198-F267 HydrophobicContact CE-CE1 4.08Å; M198-F267 HydrophobicContact CE-CZ 4.46Å; M198-F267 HydrophobicContact CG-CZ 4.12Å |
| 199 | E | 95.1 | Very high | 97.4 | Very high | 201 Ų | 201 | 47.5 Ų | 47.5 | 94% | 0.939 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -29.9 | 178 | -59.4 | -170.1 | 167.4 | 0 | 0 | 112.6 | Y197 | Y197-E199 VanDerWaalsContact C-N 3.28Å; Y197-E199 PolarHBondContact O-N 3.46Å; Y197-E199 VanDerWaalsContact O-N 3.15Å |
| 200 | S | 96.9 | Very high | 97.3 | Very high | 17 Ų | 17 | 49 Ų | 49 | 12% | 0.119 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -7.9 | 178.5 | 69.3 | 0 | 0 | 0 | 0 | 113.7 | W117 Y197 M198 P202 Q203 A204 | W117-S200 PolarHBondContact NE1-O 2.84Å; W117-S200 PolarHBondContact NE1-OG 3.08Å; Y197-S200 CarbonylContact O-C 3.53Å; Y197-S200 PolarHBondContact O-N 3.38Å; Y197-S200 PolarHBondContact O-OG 3.27Å; M198-S200 PolarHBondContact O-N 2.73Å; S200-P202 VanDerWaalsContact C-CD 3.45Å; S200-Q203 WeakPolarHBondContact O-CA 3.42Å; S200-Q203 VanDerWaalsContact O-CB 3.24Å; S200-Q203 WeakPolarHBondContact O-CB 3.44Å; S200-Q203 PolarHBondContact O-N 3.28Å; S200-A204 PolarHBondContact O-N 2.91Å |
| 201 | W | 97.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.9 | -35.7 | -176.9 | -162 | -120.3 | 0 | 0 | 0 | 114.8 | W117 V147 F150 I151 Y194 Y197 M198 Q203 A204 M205 L208 E256 L260 | W117-W201 HydrophobicContact CH2-CZ3 4.26Å; W117-W201 AromaticContact CZ2-CE3 3.98Å; W117-W201 HydrophobicContact CZ2-CE3 3.98Å; W117-W201 AromaticContact CZ2-CZ3 3.81Å; W117-W201 HydrophobicContact CZ2-CZ3 3.81Å; V147-W201 HydrophobicContact CG1-CH2 4.21Å; V147-W201 HydrophobicContact CG1-CZ3 4.39Å; F150-W201 AromaticContact CD1-CH2 3.99Å; F150-W201 HydrophobicContact CD1-CH2 3.99Å; F150-W201 AromaticContact CD1-CZ3 3.62Å; F150-W201 HydrophobicContact CD1-CZ3 3.62Å; F150-W201 HydrophobicContact CE1-CE3 4.17Å; F150-W201 AromaticContact CE1-CH2 3.97Å; F150-W201 HydrophobicContact CE1-CH2 3.97Å; F150-W201 AromaticContact CE1-CZ3 3.5Å; F150-W201 HydrophobicContact CE1-CZ3 3.5Å; I151-W201 HydrophobicContact CD1-CH2 3.72Å; I151-W201 HydrophobicContact CD1-CZ2 3.98Å; I151-W201 HydrophobicContact CG1-CH2 4.26Å; Y194-W201 HydrophobicContact CD1-CD2 4.25Å; Y194-W201 HydrophobicContact CD1-CE3 4.38Å; Y194-W201 HydrophobicContact CD1-CH2 4.29Å; Y194-W201 HydrophobicContact CD1-CZ2 4.1Å; Y194-W201 HydrophobicContact CD1-CZ3 4.41Å; Y194-W201 AromaticContact CD2-NE1 3.8Å; Y194-W201 HydrophobicContact CE1-CD2 4.35Å; Y194-W201 AromaticContact CE1-CE2 3.72Å; Y194-W201 AromaticContact CE1-CH2 3.68Å; Y194-W201 HydrophobicContact CE1-CH2 3.68Å; Y194-W201 AromaticContact CE1-CZ2 3.38Å; Y194-W201 HydrophobicContact CE1-CZ2 3.38Å; Y194-W201 HydrophobicContact CE1-CZ3 4.22Å; Y194-W201 AromaticContact CE2-CE2 3.84Å; Y194-W201 HydrophobicContact CE2-CZ2 4.07Å; Y194-W201 AromaticContact CE2-NE1 3.53Å; Y194-W201 HydrophobicContact CG-CD2 4.34Å; Y194-W201 AromaticContact CZ-CE2 3.56Å; Y194-W201 AromaticContact CZ-CZ2 3.32Å; Y194-W201 AromaticContact CZ-NE1 3.73Å; Y194-W201 VanDerWaalsContact OH-CZ2 3.28Å; Y194-W201 WeakPolarHBondContact OH-CZ2 3.36Å; Y197-W201 PolarHBondContact O-N 2.99Å; M198-W201 PolarHBondContact O-N 2.92Å; W201-Q203 VanDerWaalsContact C-N 3.25Å; W201-Q203 PolarHBondContact O-N 3.27Å; W201-A204 HydrophobicContact CD2-CB 4.02Å; W201-A204 HydrophobicContact CE3-CB 3.39Å; W201-A204 HydrophobicContact CH2-CB 3.87Å; W201-A204 HydrophobicContact CZ2-CB 4.46Å; W201-A204 HydrophobicContact CZ3-CB 3.3Å; W201-A204 WeakPolarHBondContact O-CB 3.5Å; W201-A204 PolarHBondContact O-N 3.32Å; W201-A204 VanDerWaalsContact O-N 3.11Å; W201-M205 HydrophobicContact CZ2-CG 4.39Å; W201-M205 WeakPolarHBondContact O-CG 3.29Å; W201-M205 PolarHBondContact O-N 2.87Å; W201-L208 HydrophobicContact CH2-CD1 4.39Å; W201-L208 HydrophobicContact CZ2-CD1 4.45Å; W201-E256 PolarHBondContact NE1-OE1 2.94Å; W201-E256 VanDerWaalsContact NE1-OE1 3.16Å; W201-L260 HydrophobicContact CB-CD2 3.97Å; W201-L260 HydrophobicContact CG-CD2 4.31Å |
| 202 | P | 97.6 | Very high | 97.1 | Very high | 67 Ų | 67 | 59.4 Ų | 59.4 | 44% | 0.435 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.6 | -32.5 | 171.6 | -25.6 | 35.1 | 0 | 0 | 0 | 114.2 | M198 S200 S206 L260 | M198-P202 WeakPolarHBondContact O-CD 3.37Å; S200-P202 VanDerWaalsContact C-CD 3.45Å; P202-S206 PolarHBondContact O-N 3.26Å; P202-S206 VanDerWaalsContact O-N 3.15Å; P202-L260 HydrophobicContact CG-CD1 4.21Å; P202-L260 HydrophobicContact CG-CD2 3.81Å |
| 203 | Q | 97.6 | Very high | 97 | Very high | 75 Ų | 75 | 56 Ų | 56 | 35% | 0.35 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.8 | -47.4 | 173.7 | -177.3 | -169 | 4.9 | 0 | 0 | 110 | W117 S200 W201 M205 S206 I207 | W117-Q203 HydrophobicContact CB-CG 4.34Å; W117-Q203 PolarHBondContact O-NE2 3.21Å; S200-Q203 WeakPolarHBondContact O-CA 3.42Å; S200-Q203 VanDerWaalsContact O-CB 3.24Å; S200-Q203 WeakPolarHBondContact O-CB 3.44Å; S200-Q203 PolarHBondContact O-N 3.28Å; W201-Q203 VanDerWaalsContact C-N 3.25Å; W201-Q203 PolarHBondContact O-N 3.27Å; Q203-M205 PolarHBondContact O-N 2.97Å; Q203-S206 WeakPolarHBondContact O-CB 3.44Å; Q203-S206 PolarHBondContact O-N 3.28Å; Q203-S206 VanDerWaalsContact O-N 3.09Å; Q203-S206 PolarHBondContact O-OG 2.9Å; Q203-I207 HydrophobicContact CG-CD1 4.05Å; Q203-I207 WeakPolarHBondContact O-CG1 3.43Å; Q203-I207 PolarHBondContact O-N 3.33Å; Q203-I207 VanDerWaalsContact O-N 3.08Å |
| 204 | A | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57 | -48.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | W117 V147 S200 W201 S206 I207 L208 | W117-A204 HydrophobicContact CD2-CB 4.01Å; W117-A204 HydrophobicContact CG-CB 4Å; W117-A204 HydrophobicContact CZ2-CB 4.39Å; V147-A204 HydrophobicContact CG1-CB 3.82Å; V147-A204 HydrophobicContact CG2-CB 4.07Å; S200-A204 PolarHBondContact O-N 2.91Å; W201-A204 HydrophobicContact CD2-CB 4.02Å; W201-A204 HydrophobicContact CE3-CB 3.39Å; W201-A204 HydrophobicContact CH2-CB 3.87Å; W201-A204 HydrophobicContact CZ2-CB 4.46Å; W201-A204 HydrophobicContact CZ3-CB 3.3Å; W201-A204 WeakPolarHBondContact O-CB 3.5Å; W201-A204 PolarHBondContact O-N 3.32Å; W201-A204 VanDerWaalsContact O-N 3.11Å; A204-S206 VanDerWaalsContact C-N 3.28Å; A204-S206 PolarHBondContact O-N 2.99Å; A204-I207 WeakPolarHBondContact O-CB 3.38Å; A204-I207 PolarHBondContact O-N 3.49Å; A204-I207 VanDerWaalsContact O-N 3.07Å; A204-L208 WeakPolarHBondContact O-CG 3.49Å; A204-L208 PolarHBondContact O-N 3.17Å |
| 205 | M | 97.1 | Very high | 96.9 | Very high | 33 Ų | 33 | 61 Ų | 61 | 16% | 0.163 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.2 | -37.1 | 175.7 | -66.5 | -173.5 | 80 | 0 | 0 | 112.3 | W201 Q203 I207 L209 E256 L257 L260 | W201-M205 HydrophobicContact CZ2-CG 4.39Å; W201-M205 WeakPolarHBondContact O-CG 3.29Å; W201-M205 PolarHBondContact O-N 2.87Å; Q203-M205 PolarHBondContact O-N 2.97Å; M205-I207 VanDerWaalsContact C-N 3.31Å; M205-I207 PolarHBondContact O-N 2.74Å; M205-L209 VanDerWaalsContact O-CG 3.29Å; M205-L209 WeakPolarHBondContact O-CG 3.41Å; M205-L209 PolarHBondContact O-N 3.37Å; M205-E256 HydrophobicContact CE-CG 4.03Å; M205-E256 WeakPolarHBondContact CE-OE2 3.25Å; M205-E256 HydrophobicContact SD-CG 4.17Å; M205-L257 HydrophobicContact CE-CD2 4.03Å; M205-L260 HydrophobicContact SD-CD1 3.71Å; M205-L260 HydrophobicContact SD-CG 4.46Å |
| 206 | S | 97.4 | Very high | 96.9 | Very high | 68 Ų | 68 | 60.9 Ų | 60.9 | 48% | 0.476 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.5 | -31.4 | 175.5 | 80.4 | 0 | 0 | 0 | 0 | 113.3 | P202 Q203 A204 | P202-S206 PolarHBondContact O-N 3.26Å; P202-S206 VanDerWaalsContact O-N 3.15Å; Q203-S206 WeakPolarHBondContact O-CB 3.44Å; Q203-S206 PolarHBondContact O-N 3.28Å; Q203-S206 VanDerWaalsContact O-N 3.09Å; Q203-S206 PolarHBondContact O-OG 2.9Å; A204-S206 VanDerWaalsContact C-N 3.28Å; A204-S206 PolarHBondContact O-N 2.99Å |
| 207 | I | 97.9 | Very high | 97 | Very high | 18 Ų | 18 | 57.6 Ų | 57.6 | 9% | 0.092 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -74.7 | -43 | 177.4 | -67.1 | 161.6 | 0 | 0 | 0 | 111.1 | W117 A143 V147 Q203 A204 M205 L209 L210 N213 | W117-I207 HydrophobicContact CB-CD1 3.69Å; A143-I207 HydrophobicContact CB-CD1 4.14Å; V147-I207 HydrophobicContact CG2-CB 4.39Å; V147-I207 HydrophobicContact CG2-CD1 4.2Å; V147-I207 HydrophobicContact CG2-CG2 4.22Å; Q203-I207 HydrophobicContact CG-CD1 4.05Å; Q203-I207 WeakPolarHBondContact O-CG1 3.43Å; Q203-I207 PolarHBondContact O-N 3.33Å; Q203-I207 VanDerWaalsContact O-N 3.08Å; A204-I207 WeakPolarHBondContact O-CB 3.38Å; A204-I207 PolarHBondContact O-N 3.49Å; A204-I207 VanDerWaalsContact O-N 3.07Å; M205-I207 VanDerWaalsContact C-N 3.31Å; M205-I207 PolarHBondContact O-N 2.74Å; I207-L209 PolarHBondContact O-N 3.3Å; I207-L210 HydrophobicContact CG2-CD1 4.43Å; I207-L210 VanDerWaalsContact O-CB 3.3Å; I207-L210 WeakPolarHBondContact O-CB 3.48Å; I207-L210 VanDerWaalsContact O-CG 3.31Å; I207-L210 WeakPolarHBondContact O-CG 3.36Å; I207-L210 PolarHBondContact O-N 2.97Å; I207-L210 VanDerWaalsContact O-N 3.08Å; I207-N213 WeakPolarHBondContact O-CB 3.36Å; I207-N213 PolarHBondContact O-ND2 2.66Å |
| 208 | L | 97.1 | Very high | 97 | Very high | 22 Ų | 22 | 60.8 Ų | 60.8 | 12% | 0.115 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61 | -31.4 | 175.4 | -68.6 | 167.9 | 0 | 0 | 0 | 112.4 | V147 L148 I151 W201 A204 L210 I214 S217 | V147-L208 HydrophobicContact CB-CD2 4.41Å; V147-L208 HydrophobicContact CG1-CD1 3.77Å; V147-L208 HydrophobicContact CG1-CD2 3.79Å; V147-L208 HydrophobicContact CG1-CG 3.65Å; L148-L208 HydrophobicContact CD2-CD2 3.74Å; L148-L208 HydrophobicContact CG-CD2 4.26Å; I151-L208 HydrophobicContact CD1-CD1 4.38Å; I151-L208 HydrophobicContact CG1-CD1 4.17Å; I151-L208 HydrophobicContact CG1-CD2 4.44Å; W201-L208 HydrophobicContact CH2-CD1 4.39Å; W201-L208 HydrophobicContact CZ2-CD1 4.45Å; A204-L208 WeakPolarHBondContact O-CG 3.49Å; A204-L208 PolarHBondContact O-N 3.17Å; L208-L210 VanDerWaalsContact C-N 3.28Å; L208-L210 PolarHBondContact O-N 3.14Å; L208-I214 PolarHBondContact O-N 3.41Å; L208-S217 WeakPolarHBondContact CD2-OG 3.37Å; L208-S217 PolarHBondContact O-OG 3.47Å |
| 209 | L | 96.5 | Very high | 97.1 | Very high | 126 Ų | 126 | 65 Ų | 65 | 66% | 0.66 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 3.7 | 176.6 | -67.6 | 172.9 | 0 | 0 | 0 | 114.4 | M205 I207 | M205-L209 VanDerWaalsContact O-CG 3.29Å; M205-L209 WeakPolarHBondContact O-CG 3.41Å; M205-L209 PolarHBondContact O-N 3.37Å; I207-L209 PolarHBondContact O-N 3.3Å |
| 210 | L | 97 | Very high | 97.2 | Very high | 71 Ų | 71 | 57 Ų | 57 | 37% | 0.372 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -71.6 | 141.1 | 171.7 | -63.5 | 174.4 | 0 | 0 | 0 | 110.6 | I207 L208 H212 N213 I214 | I207-L210 HydrophobicContact CG2-CD1 4.43Å; I207-L210 VanDerWaalsContact O-CB 3.3Å; I207-L210 WeakPolarHBondContact O-CB 3.48Å; I207-L210 VanDerWaalsContact O-CG 3.31Å; I207-L210 WeakPolarHBondContact O-CG 3.36Å; I207-L210 PolarHBondContact O-N 2.97Å; I207-L210 VanDerWaalsContact O-N 3.08Å; L208-L210 VanDerWaalsContact C-N 3.28Å; L208-L210 PolarHBondContact O-N 3.14Å; L210-H212 PolarHBondContact O-N 2.95Å; L210-N213 PolarHBondContact O-N 2.86Å; L210-I214 WeakPolarHBondContact O-CG1 3.47Å; L210-I214 PolarHBondContact O-N 2.82Å |
| 211 | P | 96.9 | Very high | 97.2 | Very high | 111 Ų | 111 | 57.8 Ų | 57.8 | 72% | 0.721 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -23.2 | -171.2 | -29.8 | 36.3 | 0 | 0 | 0 | 116.9 | ||
| 212 | H | 95.4 | Very high | 97.2 | Very high | 110 Ų | 110 | 60.2 Ų | 60.2 | 51% | 0.509 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -28.9 | 174.6 | 47.5 | -97.6 | 0 | 0 | 0 | 113.3 | N141 L210 P215 | N141-H212 PolarHBondContact OD1-CD2 2.77Å; N141-H212 PolarHBondContact OD1-NE2 3.02Å; L210-H212 PolarHBondContact O-N 2.95Å; H212-P215 WeakPolarHBondContact O-CD 3.44Å |
| 213 | N | 97.1 | Very high | 97.2 | Very high | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.016 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -23.4 | 178.5 | -69.1 | -37.4 | 0 | 0 | 0 | 113 | N141 I207 L210 P215 D216 S217 | N141-N213 PolarHBondContact ND2-OD1 3.08Å; N141-N213 PolarHBondContact OD1-OD1 2.79Å; I207-N213 WeakPolarHBondContact O-CB 3.36Å; I207-N213 PolarHBondContact O-ND2 2.66Å; L210-N213 PolarHBondContact O-N 2.86Å; N213-P215 VanDerWaalsContact C-CD 3.44Å; N213-D216 PolarHBondContact O-N 2.66Å; N213-S217 VanDerWaalsContact O-CB 3.28Å; N213-S217 WeakPolarHBondContact O-CB 3.41Å; N213-S217 PolarHBondContact O-N 2.9Å; N213-S217 PolarHBondContact O-OG 3.15Å |
| 214 | I | 96.7 | Very high | 97.2 | Very high | 64 Ų | 64 | 56.9 Ų | 56.9 | 33% | 0.328 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -50 | -44.9 | -179.7 | -76.1 | 174.6 | 0 | 0 | 0 | 113.6 | L208 L210 S217 L218 | L208-I214 PolarHBondContact O-N 3.41Å; L210-I214 WeakPolarHBondContact O-CG1 3.47Å; L210-I214 PolarHBondContact O-N 2.82Å; I214-S217 PolarHBondContact O-N 3.48Å; I214-L218 HydrophobicContact CG2-CD1 3.66Å; I214-L218 HydrophobicContact CG2-CG 4.19Å; I214-L218 WeakPolarHBondContact O-CB 3.24Å; I214-L218 VanDerWaalsContact O-CG 3.27Å; I214-L218 WeakPolarHBondContact O-CG 3.33Å; I214-L218 PolarHBondContact O-N 3Å |
| 215 | P | 97.4 | Very high | 97.3 | Very high | 76 Ų | 76 | 57 Ų | 57 | 49% | 0.494 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.1 | -51.2 | -178.8 | -25.2 | 35.9 | 0 | 0 | 0 | 113.4 | H212 N213 L218 K219 | H212-P215 WeakPolarHBondContact O-CD 3.44Å; N213-P215 VanDerWaalsContact C-CD 3.44Å; P215-L218 PolarHBondContact O-N 3.45Å; P215-K219 WeakPolarHBondContact O-CB 3.5Å; P215-K219 PolarHBondContact O-N 2.91Å |
| 216 | D | 97.1 | Very high | 97.2 | Very high | 59 Ų | 59 | 57.3 Ų | 57.3 | 32% | 0.316 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -74.5 | -33.1 | -179.9 | -71.3 | -76 | 0 | 0 | 0 | 112.3 | L148 N213 L218 K219 H220 | L148-D216 HydrophobicContact CD1-CB 4.35Å; L148-D216 HydrophobicContact CD2-CB 4.11Å; N213-D216 PolarHBondContact O-N 2.66Å; D216-L218 VanDerWaalsContact C-N 3.35Å; D216-L218 PolarHBondContact O-N 3.47Å; D216-K219 WeakPolarHBondContact O-CB 3.29Å; D216-K219 PolarHBondContact O-N 3.28Å; D216-K219 WeakPolarHBondContact OD1-CD 3.35Å; D216-K219 IonicContact OD1-NZ 2.78Å; D216-K219 PolarHBondContact OD1-NZ 2.86Å; D216-H220 PolarHBondContact O-CD2 3.21Å; D216-H220 PolarHBondContact O-N 3.41Å |
| 217 | S | 97 | Very high | 97.2 | Very high | 20 Ų | 20 | 56 Ų | 56 | 14% | 0.14 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.4 | -45.4 | 171.1 | -55 | 0 | 0 | 0 | 0 | 111.7 | L208 N213 I214 L221 | L208-S217 WeakPolarHBondContact CD2-OG 3.37Å; L208-S217 PolarHBondContact O-OG 3.47Å; N213-S217 VanDerWaalsContact O-CB 3.28Å; N213-S217 WeakPolarHBondContact O-CB 3.41Å; N213-S217 PolarHBondContact O-N 2.9Å; N213-S217 PolarHBondContact O-OG 3.15Å; I214-S217 PolarHBondContact O-N 3.48Å; S217-L221 VanDerWaalsContact O-CB 3.29Å; S217-L221 WeakPolarHBondContact O-CB 3.34Å; S217-L221 PolarHBondContact O-N 3.16Å |
| 218 | L | 97.1 | Very high | 97.2 | Very high | 102 Ų | 102 | 55.2 Ų | 55.2 | 53% | 0.534 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -70.7 | -34.6 | 176.9 | -72.1 | 176.2 | 0 | 0 | 0 | 112.6 | I214 P215 D216 L221 S222 | I214-L218 HydrophobicContact CG2-CD1 3.66Å; I214-L218 HydrophobicContact CG2-CG 4.19Å; I214-L218 WeakPolarHBondContact O-CB 3.24Å; I214-L218 VanDerWaalsContact O-CG 3.27Å; I214-L218 WeakPolarHBondContact O-CG 3.33Å; I214-L218 PolarHBondContact O-N 3Å; P215-L218 PolarHBondContact O-N 3.45Å; D216-L218 VanDerWaalsContact C-N 3.35Å; D216-L218 PolarHBondContact O-N 3.47Å; L218-L221 HydrophobicContact CD2-CD2 4.44Å; L218-L221 PolarHBondContact O-N 2.85Å; L218-S222 WeakPolarHBondContact O-CB 3.24Å; L218-S222 PolarHBondContact O-N 3.44Å |
| 219 | K | 97.9 | Very high | 97.2 | Very high | 121 Ų | 121 | 55 Ų | 55 | 53% | 0.526 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.4 | -52.9 | 172.8 | 170 | -178.2 | 151.8 | -156.3 | 0 | 110.8 | P215 D216 L221 S222 T223 | P215-K219 WeakPolarHBondContact O-CB 3.5Å; P215-K219 PolarHBondContact O-N 2.91Å; D216-K219 WeakPolarHBondContact O-CB 3.29Å; D216-K219 PolarHBondContact O-N 3.28Å; D216-K219 WeakPolarHBondContact OD1-CD 3.35Å; D216-K219 IonicContact OD1-NZ 2.78Å; D216-K219 PolarHBondContact OD1-NZ 2.86Å; K219-L221 VanDerWaalsContact C-N 3.33Å; K219-L221 PolarHBondContact O-N 2.86Å; K219-S222 PolarHBondContact O-N 3.34Å; K219-T223 PolarHBondContact O-N 2.94Å; K219-T223 PolarHBondContact O-OG1 3.1Å; K219-T223 VanDerWaalsContact O-OG1 3.1Å |
| 220 | H | 97.9 | Very high | 97.1 | Very high | 33 Ų | 33 | 55 Ų | 55 | 15% | 0.153 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.7 | -41.4 | 175.7 | -73.3 | -67.3 | 0 | 0 | 0 | 112.4 | I151 N155 D216 T223 M224 | I151-H220 HydrophobicContact CG2-CB 3.53Å; N155-H220 PolarHBondContact ND2-O 2.87Å; N155-H220 VanDerWaalsContact ND2-O 3.1Å; D216-H220 PolarHBondContact O-CD2 3.21Å; D216-H220 PolarHBondContact O-N 3.41Å; H220-T223 PolarHBondContact O-N 3.22Å; H220-M224 WeakPolarHBondContact O-CB 3.47Å; H220-M224 PolarHBondContact O-N 3.26Å |
| 221 | L | 97.9 | Very high | 97.1 | Very high | 33 Ų | 33 | 53.5 Ų | 53.5 | 17% | 0.173 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 176.5 | -179.2 | 58.9 | 0 | 0 | 0 | 112.3 | S217 L218 K219 M224 V225 T249 Y252 | S217-L221 VanDerWaalsContact O-CB 3.29Å; S217-L221 WeakPolarHBondContact O-CB 3.34Å; S217-L221 PolarHBondContact O-N 3.16Å; L218-L221 HydrophobicContact CD2-CD2 4.44Å; L218-L221 PolarHBondContact O-N 2.85Å; K219-L221 VanDerWaalsContact C-N 3.33Å; K219-L221 PolarHBondContact O-N 2.86Å; L221-M224 HydrophobicContact CD1-CE 3.84Å; L221-V225 WeakPolarHBondContact O-CB 3.39Å; L221-V225 VanDerWaalsContact O-CG2 3.24Å; L221-V225 WeakPolarHBondContact O-CG2 3.46Å; L221-V225 PolarHBondContact O-N 3.24Å; L221-T249 HydrophobicContact CD1-CG2 4.38Å; L221-T249 HydrophobicContact CD2-CG2 3.79Å; L221-T249 HydrophobicContact CG-CG2 4.05Å; L221-Y252 HydrophobicContact CD1-CD1 4.07Å; L221-Y252 HydrophobicContact CD1-CE1 4.4Å |
| 222 | S | 97.1 | Very high | 96.9 | Very high | 53 Ų | 53 | 49 Ų | 49 | 37% | 0.371 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.1 | -52.9 | 173.5 | -165.7 | 0 | 0 | 0 | 0 | 110.7 | L218 K219 M224 V225 D226 | L218-S222 WeakPolarHBondContact O-CB 3.24Å; L218-S222 PolarHBondContact O-N 3.44Å; K219-S222 PolarHBondContact O-N 3.34Å; S222-M224 VanDerWaalsContact C-N 3.3Å; S222-M224 PolarHBondContact O-N 2.97Å; S222-V225 CarbonylContact O-C 3.52Å; S222-V225 WeakPolarHBondContact O-CA 3.46Å; S222-V225 PolarHBondContact O-N 2.93Å; S222-D226 WeakPolarHBondContact O-CB 3.48Å; S222-D226 PolarHBondContact O-N 3Å; S222-D226 PolarHBondContact OG-OD2 3.47Å |
| 223 | T | 97.5 | Very high | 96.6 | Very high | 69 Ų | 69 | 45.9 Ų | 45.9 | 42% | 0.423 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -56 | -43.8 | -178.6 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | K219 H220 V225 D226 D227 | K219-T223 PolarHBondContact O-N 2.94Å; K219-T223 PolarHBondContact O-OG1 3.1Å; K219-T223 VanDerWaalsContact O-OG1 3.1Å; H220-T223 PolarHBondContact O-N 3.22Å; T223-V225 PolarHBondContact O-N 3.43Å; T223-D226 WeakPolarHBondContact O-CB 3.25Å; T223-D226 PolarHBondContact O-N 3.39Å; T223-D227 WeakPolarHBondContact O-CB 3.18Å; T223-D227 VanDerWaalsContact O-CG 3.32Å; T223-D227 PolarHBondContact O-N 3.31Å |
| 224 | M | 98.3 | Very high | 96.2 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.015 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 174.7 | -174.4 | -166.7 | 78.9 | 0 | 0 | 112.6 | L158 R190 H220 L221 S222 I228 Y252 | L158-M224 HydrophobicContact CD2-CG 4.01Å; R190-M224 HydrophobicContact CG-SD 3.64Å; H220-M224 WeakPolarHBondContact O-CB 3.47Å; H220-M224 PolarHBondContact O-N 3.26Å; L221-M224 HydrophobicContact CD1-CE 3.84Å; S222-M224 VanDerWaalsContact C-N 3.3Å; S222-M224 PolarHBondContact O-N 2.97Å; M224-I228 HydrophobicContact CG-CD1 4.13Å; M224-I228 WeakPolarHBondContact O-CD1 3.21Å; M224-I228 WeakPolarHBondContact O-CG1 3.33Å; M224-I228 PolarHBondContact O-N 3.1Å; M224-Y252 HydrophobicContact CE-CD1 3.87Å; M224-Y252 HydrophobicContact CE-CD2 3.6Å; M224-Y252 HydrophobicContact CE-CE1 3.89Å; M224-Y252 HydrophobicContact CE-CE2 3.6Å; M224-Y252 HydrophobicContact CE-CG 3.74Å; M224-Y252 HydrophobicContact SD-CE2 4.04Å |
| 225 | V | 97.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.2 | -35.1 | 178.1 | 166.3 | 0 | 0 | 0 | 0 | 111.5 | L221 S222 T223 W229 R245 L248 | L221-V225 WeakPolarHBondContact O-CB 3.39Å; L221-V225 VanDerWaalsContact O-CG2 3.24Å; L221-V225 WeakPolarHBondContact O-CG2 3.46Å; L221-V225 PolarHBondContact O-N 3.24Å; S222-V225 CarbonylContact O-C 3.52Å; S222-V225 WeakPolarHBondContact O-CA 3.46Å; S222-V225 PolarHBondContact O-N 2.93Å; T223-V225 PolarHBondContact O-N 3.43Å; V225-W229 PolarHBondContact O-N 3.48Å; V225-R245 HydrophobicContact CG1-CB 4.17Å; V225-R245 HydrophobicContact CG1-CG 3.91Å; V225-L248 HydrophobicContact CG1-CB 4.15Å; V225-L248 HydrophobicContact CG1-CD2 4.12Å; V225-L248 HydrophobicContact CG1-CG 4.29Å; V225-L248 HydrophobicContact CG2-CG 4.39Å |
| 226 | D | 96.5 | Very high | 94.7 | Very high | 40 Ų | 40 | 49.2 Ų | 49.2 | 21% | 0.214 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.4 | -48.9 | 173.3 | -81.7 | -63.7 | 0 | 0 | 0 | 111.5 | S222 T223 W229 Y230 R245 | S222-D226 WeakPolarHBondContact O-CB 3.48Å; S222-D226 PolarHBondContact O-N 3Å; S222-D226 PolarHBondContact OG-OD2 3.47Å; T223-D226 WeakPolarHBondContact O-CB 3.25Å; T223-D226 PolarHBondContact O-N 3.39Å; D226-W229 PolarHBondContact O-N 2.91Å; D226-Y230 WeakPolarHBondContact O-CB 3.34Å; D226-Y230 PolarHBondContact O-N 3Å; D226-R245 IonicContact OD1-CZ 2.86Å; D226-R245 IonicContact OD1-NE 3.16Å; D226-R245 PolarHBondContact OD1-NE 3.4Å; D226-R245 IonicContact OD1-NH2 3.98Å; D226-R245 PolarHBondContact OD1-NH2 3.49Å |
| 227 | D | 97.3 | Very high | 93.3 | Very high | 42 Ų | 42 | 50.9 Ų | 50.9 | 23% | 0.225 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 179.1 | -73.6 | -12 | 0 | 0 | 0 | 111.6 | T159 T223 W229 Y230 Y231 | T159-D227 WeakPolarHBondContact OG1-CB 3.39Å; T159-D227 PolarHBondContact OG1-OD2 3.39Å; T223-D227 WeakPolarHBondContact O-CB 3.18Å; T223-D227 VanDerWaalsContact O-CG 3.32Å; T223-D227 PolarHBondContact O-N 3.31Å; D227-W229 VanDerWaalsContact C-N 3.3Å; D227-W229 PolarHBondContact O-N 2.85Å; D227-Y230 WeakPolarHBondContact O-CB 3.43Å; D227-Y230 PolarHBondContact O-N 2.84Å; D227-Y230 VanDerWaalsContact O-N 3.12Å; D227-Y231 VanDerWaalsContact O-CD2 3.22Å; D227-Y231 WeakPolarHBondContact O-CD2 3.48Å; D227-Y231 PolarHBondContact O-N 3.08Å |
| 228 | I | 97.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.4 | -44.6 | 175.2 | -67.2 | 164.4 | 0 | 0 | 0 | 110.5 | L158 L162 F182 L183 A186 M224 A232 L248 | L158-I228 HydrophobicContact CD2-CD1 3.87Å; L158-I228 HydrophobicContact CD2-CG1 3.78Å; L162-I228 HydrophobicContact CD1-CG1 4.11Å; F182-I228 HydrophobicContact CE1-CG2 4.4Å; F182-I228 WeakPolarHBondContact CE1-O 3.37Å; L183-I228 HydrophobicContact CD2-CG2 3.53Å; A186-I228 HydrophobicContact CB-CG1 4.25Å; A186-I228 HydrophobicContact CB-CG2 3.95Å; M224-I228 HydrophobicContact CG-CD1 4.13Å; M224-I228 WeakPolarHBondContact O-CD1 3.21Å; M224-I228 WeakPolarHBondContact O-CG1 3.33Å; M224-I228 PolarHBondContact O-N 3.1Å; I228-A232 WeakPolarHBondContact O-CB 3.42Å; I228-A232 PolarHBondContact O-N 3.02Å; I228-L248 HydrophobicContact CB-CD2 4.04Å; I228-L248 HydrophobicContact CG2-CD2 3.7Å |
| 229 | W | 96.1 | Very high | 91.9 | Very high | 17 Ų | 17 | 58.1 Ų | 58.1 | 6% | 0.064 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69 | -33.3 | 176.9 | -84.6 | 119.3 | 0 | 0 | 0 | 113.4 | T179 L183 V225 D226 D227 A232 D234 K244 L248 | T179-W229 HydrophobicContact CG2-CH2 4.4Å; T179-W229 HydrophobicContact CG2-CZ3 3.77Å; L183-W229 HydrophobicContact CD1-CH2 3.69Å; L183-W229 HydrophobicContact CD1-CZ2 4.05Å; L183-W229 HydrophobicContact CD1-CZ3 4.13Å; V225-W229 PolarHBondContact O-N 3.48Å; D226-W229 PolarHBondContact O-N 2.91Å; D227-W229 VanDerWaalsContact C-N 3.3Å; D227-W229 PolarHBondContact O-N 2.85Å; W229-A232 HydrophobicContact CE3-CB 4.26Å; W229-D234 HydrophobicContact CB-CB 4.21Å; W229-D234 HydrophobicContact CE3-CB 3.97Å; W229-D234 WeakPolarHBondContact O-CB 3.49Å; W229-D234 PolarHBondContact O-N 3.32Å; W229-K244 HydrophobicContact CD2-CB 4.25Å; W229-K244 HydrophobicContact CD2-CD 4.26Å; W229-K244 HydrophobicContact CE3-CD 4.1Å; W229-K244 HydrophobicContact CH2-CB 4.29Å; W229-K244 HydrophobicContact CH2-CD 3.92Å; W229-K244 HydrophobicContact CH2-CG 3.9Å; W229-K244 HydrophobicContact CZ2-CB 3.64Å; W229-K244 HydrophobicContact CZ2-CD 4.1Å; W229-K244 HydrophobicContact CZ2-CG 3.76Å; W229-K244 HydrophobicContact CZ3-CD 3.92Å; W229-K244 HydrophobicContact CZ3-CG 4.42Å; W229-K244 PolarHBondContact NE1-O 3.22Å; W229-L248 HydrophobicContact CG-CD2 4.3Å; W229-L248 HydrophobicContact CZ2-CB 4.48Å |
| 230 | Y | 95.6 | Very high | 91.4 | Very high | 125 Ų | 125 | 56.3 Ų | 56.3 | 49% | 0.49 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.1 | -51.1 | 176.8 | 172.6 | -94.4 | 0 | 0 | 0 | 111.8 | D226 D227 G233 R235 | D226-Y230 WeakPolarHBondContact O-CB 3.34Å; D226-Y230 PolarHBondContact O-N 3Å; D227-Y230 WeakPolarHBondContact O-CB 3.43Å; D227-Y230 PolarHBondContact O-N 2.84Å; D227-Y230 VanDerWaalsContact O-N 3.12Å; Y230-G233 PolarHBondContact O-N 2.97Å; Y230-G233 VanDerWaalsContact O-N 3.12Å; Y230-R235 PolarHBondContact O-NH1 3.05Å |
| 231 | Y | 95.8 | Very high | 91 | Very high | 40 Ų | 40 | 59 Ų | 59 | 16% | 0.157 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -72.9 | -28.1 | 178.4 | -69 | -68 | 0 | 0 | 0 | 113 | T159 L162 A163 H166 D227 G233 | T159-Y231 HydrophobicContact CG2-CE2 4.08Å; L162-Y231 HydrophobicContact CB-CD1 4.4Å; L162-Y231 HydrophobicContact CB-CD2 3.51Å; L162-Y231 HydrophobicContact CB-CE2 4.01Å; L162-Y231 HydrophobicContact CB-CG 3.74Å; L162-Y231 HydrophobicContact CD1-CD2 3.98Å; L162-Y231 HydrophobicContact CG-CD2 4.41Å; A163-Y231 HydrophobicContact CB-CE1 4.1Å; H166-Y231 HydrophobicContact CB-CD1 3.82Å; H166-Y231 HydrophobicContact CB-CE1 4.27Å; H166-Y231 AromaticContact CG-CD1 4Å; D227-Y231 VanDerWaalsContact O-CD2 3.22Å; D227-Y231 WeakPolarHBondContact O-CD2 3.48Å; D227-Y231 PolarHBondContact O-N 3.08Å; Y231-G233 PolarHBondContact O-N 3.18Å |
| 232 | A | 93.4 | Very high | 90.7 | Very high | 18 Ų | 18 | 64.6 Ų | 64.6 | 15% | 0.149 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 1.3 | 167 | 0 | 0 | 0 | 0 | 0 | 113.9 | T179 F182 I228 W229 | T179-A232 HydrophobicContact CG2-CB 4.46Å; F182-A232 HydrophobicContact CD1-CB 3.51Å; F182-A232 HydrophobicContact CE1-CB 3.67Å; F182-A232 HydrophobicContact CG-CB 4.33Å; I228-A232 WeakPolarHBondContact O-CB 3.42Å; I228-A232 PolarHBondContact O-N 3.02Å; W229-A232 HydrophobicContact CE3-CB 4.26Å |
| 233 | G | 90.1 | Very high | 90.5 | Very high | 43 Ų | 43 | 66 Ų | 66 | 44% | 0.443 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | 17.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y230 Y231 R235 | Y230-G233 PolarHBondContact O-N 2.97Å; Y230-G233 VanDerWaalsContact O-N 3.12Å; Y231-G233 PolarHBondContact O-N 3.18Å; G233-R235 PolarHBondContact O-N 2.58Å |
| 234 | D | 87.4 | Confident | 90.2 | Very high | 22 Ų | 22 | 64.8 Ų | 64.8 | 12% | 0.118 | 32% | 0.321 | C | S | . | . | trans | -68.4 | 131.8 | -178.6 | -168.1 | 26.5 | 0 | 0 | 0 | 112.2 | W229 S236 K244 | W229-D234 HydrophobicContact CB-CB 4.21Å; W229-D234 HydrophobicContact CE3-CB 3.97Å; W229-D234 WeakPolarHBondContact O-CB 3.49Å; W229-D234 PolarHBondContact O-N 3.32Å; D234-S236 VanDerWaalsContact OD1-CB 3.23Å; D234-S236 WeakPolarHBondContact OD1-CB 3.41Å; D234-S236 PolarHBondContact OD1-N 2.82Å; D234-S236 PolarHBondContact OD1-OG 2.87Å; D234-K244 IonicContact OD1-NZ 2.83Å; D234-K244 PolarHBondContact OD1-NZ 3.23Å; D234-K244 WeakPolarHBondContact OD2-CD 3.5Å; D234-K244 IonicContact OD2-NZ 3.13Å; D234-K244 PolarHBondContact OD2-NZ 3.31Å | ||
| 235 | R | 81.6 | Confident | 90.1 | Very high | 167 Ų | 167 | 66 Ų | 66 | 63% | 0.63 | 33% | 0.325 | S | S | * | . | trans | -128.6 | 24.2 | 174.2 | -55 | -63.4 | 176.1 | -101.3 | 5.3 | 111 | Y230 G233 | Y230-R235 PolarHBondContact O-NH1 3.05Å; G233-R235 PolarHBondContact O-N 2.58Å | ||
| 236 | S | 80.8 | Confident | 89.9 | Confident | 24 Ų | 24 | 69.1 Ų | 69.1 | 17% | 0.168 | 35% | 0.351 | C | S | . | . | trans | -72 | 129.3 | 179.6 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | D234 N240 K244 | D234-S236 VanDerWaalsContact OD1-CB 3.23Å; D234-S236 WeakPolarHBondContact OD1-CB 3.41Å; D234-S236 PolarHBondContact OD1-N 2.82Å; D234-S236 PolarHBondContact OD1-OG 2.87Å; S236-N240 WeakPolarHBondContact CB-ND2 3.39Å; S236-N240 PolarHBondContact OG-ND2 2.99Å; S236-K244 PolarHBondContact OG-NZ 2.89Å | ||
| 237 | T | 68.1 | Low | 89.9 | Confident | 94 Ų | 94 | 69.9 Ų | 69.9 | 58% | 0.577 | 36% | 0.357 | S | S | * | . | trans | -94.7 | -178.1 | 162.5 | 50.2 | 0 | 0 | 0 | 0 | 110.5 | W241 | T237-W241 PolarHBondContact O-N 3.17Š| ||
| 238 | D | 83.7 | Confident | 89.8 | Confident | 122 Ų | 122 | 68 Ų | 68 | 65% | 0.652 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | 59.8 | -154.2 | 164.6 | -44.4 | -64 | 0 | 0 | 0 | 114.5 | N240 W241 Y242 | D238-N240 PolarHBondContact O-N 3.27Å; D238-W241 VanDerWaalsContact O-CB 3.23Å; D238-W241 WeakPolarHBondContact O-CB 3.33Å; D238-W241 PolarHBondContact O-N 3.08Å; D238-Y242 WeakPolarHBondContact O-CD2 3.48Å |
| 239 | M | 82.1 | Confident | 89.8 | Confident | 153 Ų | 153 | 69.7 Ų | 69.7 | 75% | 0.754 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -58.2 | -22.3 | -174.3 | -58.7 | -64 | -87.6 | 0 | 0 | 113.7 | T243 | M239-T243 WeakPolarHBondContact O-CB 3.48Å; M239-T243 PolarHBondContact O-N 2.83Å; M239-T243 PolarHBondContact O-OG1 2.87Å |
| 240 | N | 86.7 | Confident | 89.9 | Confident | 82 Ų | 82 | 70.9 Ų | 70.9 | 44% | 0.439 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -71.6 | -36.4 | 176.9 | -163.2 | 41.3 | 0 | 0 | 0 | 111.6 | S236 D238 Y242 T243 K244 | S236-N240 WeakPolarHBondContact CB-ND2 3.39Å; S236-N240 PolarHBondContact OG-ND2 2.99Å; D238-N240 PolarHBondContact O-N 3.27Å; N240-Y242 PolarHBondContact O-N 2.59Å; N240-T243 PolarHBondContact O-N 3.19Å; N240-K244 WeakPolarHBondContact O-CB 3.46Å; N240-K244 VanDerWaalsContact O-CG 3.32Å; N240-K244 WeakPolarHBondContact O-CG 3.47Å; N240-K244 PolarHBondContact O-N 3.17Å |
| 241 | W | 90.1 | Very high | 90 | Very high | 90 Ų | 90 | 65.7 Ų | 65.7 | 34% | 0.341 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -56.4 | -49.1 | 174.6 | -176.6 | 98.2 | 0 | 0 | 0 | 111.4 | T237 D238 R245 | T237-W241 PolarHBondContact O-N 3.17Å; D238-W241 VanDerWaalsContact O-CB 3.23Å; D238-W241 WeakPolarHBondContact O-CB 3.33Å; D238-W241 PolarHBondContact O-N 3.08Å; W241-R245 WeakPolarHBondContact O-CD 3.28Å; W241-R245 PolarHBondContact O-N 3.19Å; W241-R245 PolarHBondContact O-NH1 3.37Å |
| 242 | Y | 91.6 | Very high | 90.1 | Very high | 151 Ų | 151 | 64 Ų | 64 | 59% | 0.592 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -67.3 | -45.1 | 178.2 | -68.9 | -82.1 | 0 | 0 | 0 | 112.3 | D238 N240 K244 R245 A246 | D238-Y242 WeakPolarHBondContact O-CD2 3.48Å; N240-Y242 PolarHBondContact O-N 2.59Å; Y242-K244 VanDerWaalsContact C-N 3.35Å; Y242-K244 PolarHBondContact O-N 2.85Å; Y242-R245 PolarHBondContact O-N 3.46Å; Y242-A246 PolarHBondContact O-N 3.48Å |
| 243 | T | 91.8 | Very high | 90.3 | Very high | 82 Ų | 82 | 65.7 Ų | 65.7 | 50% | 0.503 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.7 | -45.2 | -178.7 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | M239 N240 R245 A246 V247 | M239-T243 WeakPolarHBondContact O-CB 3.48Å; M239-T243 PolarHBondContact O-N 2.83Å; M239-T243 PolarHBondContact O-OG1 2.87Å; N240-T243 PolarHBondContact O-N 3.19Å; T243-R245 PolarHBondContact O-N 3.47Å; T243-A246 PolarHBondContact O-N 3.25Å; T243-V247 HydrophobicContact CG2-CG2 4.45Å; T243-V247 WeakPolarHBondContact O-CB 3.03Å; T243-V247 VanDerWaalsContact O-CG2 3.27Å; T243-V247 WeakPolarHBondContact O-CG2 3.32Å; T243-V247 PolarHBondContact O-N 2.61Å |
| 244 | K | 92.6 | Very high | 90.6 | Very high | 44 Ų | 44 | 65.2 Ų | 65.2 | 19% | 0.191 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59 | -42.6 | 176.7 | -81.8 | -176 | 171.4 | -157.6 | 0 | 113.4 | W229 D234 S236 N240 Y242 L248 | W229-K244 HydrophobicContact CD2-CB 4.25Å; W229-K244 HydrophobicContact CD2-CD 4.26Å; W229-K244 HydrophobicContact CE3-CD 4.1Å; W229-K244 HydrophobicContact CH2-CB 4.29Å; W229-K244 HydrophobicContact CH2-CD 3.92Å; W229-K244 HydrophobicContact CH2-CG 3.9Å; W229-K244 HydrophobicContact CZ2-CB 3.64Å; W229-K244 HydrophobicContact CZ2-CD 4.1Å; W229-K244 HydrophobicContact CZ2-CG 3.76Å; W229-K244 HydrophobicContact CZ3-CD 3.92Å; W229-K244 HydrophobicContact CZ3-CG 4.42Å; W229-K244 PolarHBondContact NE1-O 3.22Å; D234-K244 IonicContact OD1-NZ 2.83Å; D234-K244 PolarHBondContact OD1-NZ 3.23Å; D234-K244 WeakPolarHBondContact OD2-CD 3.5Å; D234-K244 IonicContact OD2-NZ 3.13Å; D234-K244 PolarHBondContact OD2-NZ 3.31Å; S236-K244 PolarHBondContact OG-NZ 2.89Å; N240-K244 WeakPolarHBondContact O-CB 3.46Å; N240-K244 VanDerWaalsContact O-CG 3.32Å; N240-K244 WeakPolarHBondContact O-CG 3.47Å; N240-K244 PolarHBondContact O-N 3.17Å; Y242-K244 VanDerWaalsContact C-N 3.35Å; Y242-K244 PolarHBondContact O-N 2.85Å; K244-L248 WeakPolarHBondContact O-CB 3.5Å; K244-L248 PolarHBondContact O-N 2.98Å |
| 245 | R | 94.8 | Very high | 91.2 | Very high | 27 Ų | 27 | 64.2 Ų | 64.2 | 10% | 0.102 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.7 | -56 | 176.6 | -78.7 | 155.5 | -177.6 | 67 | 11.3 | 111.2 | V225 D226 W241 Y242 T243 V247 L248 T249 | V225-R245 HydrophobicContact CG1-CB 4.17Å; V225-R245 HydrophobicContact CG1-CG 3.91Å; D226-R245 IonicContact OD1-CZ 2.86Å; D226-R245 IonicContact OD1-NE 3.16Å; D226-R245 PolarHBondContact OD1-NE 3.4Å; D226-R245 IonicContact OD1-NH2 3.98Å; D226-R245 PolarHBondContact OD1-NH2 3.49Å; W241-R245 WeakPolarHBondContact O-CD 3.28Å; W241-R245 PolarHBondContact O-N 3.19Å; W241-R245 PolarHBondContact O-NH1 3.37Å; Y242-R245 PolarHBondContact O-N 3.46Å; T243-R245 PolarHBondContact O-N 3.47Å; R245-V247 PolarHBondContact O-N 3.25Å; R245-L248 PolarHBondContact O-N 3.08Å; R245-L248 VanDerWaalsContact O-N 3.08Å; R245-T249 WeakPolarHBondContact O-CB 3.28Å; R245-T249 PolarHBondContact O-N 2.71Å; R245-T249 PolarHBondContact O-OG1 3.16Å |
| 246 | A | 95.1 | Very high | 91.9 | Very high | 68 Ų | 68 | 57 Ų | 57 | 56% | 0.562 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -54.8 | -39.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y242 T243 G250 | Y242-A246 PolarHBondContact O-N 3.48Å; T243-A246 PolarHBondContact O-N 3.25Å; A246-G250 PolarHBondContact O-N 2.87Å |
| 247 | V | 95.2 | Very high | 92.8 | Very high | 55 Ų | 55 | 60.2 Ų | 60.2 | 33% | 0.333 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.8 | -47.7 | 175.6 | 168.5 | 0 | 0 | 0 | 0 | 112.1 | T243 R245 G250 L251 V281 | T243-V247 HydrophobicContact CG2-CG2 4.45Å; T243-V247 WeakPolarHBondContact O-CB 3.03Å; T243-V247 VanDerWaalsContact O-CG2 3.27Å; T243-V247 WeakPolarHBondContact O-CG2 3.32Å; T243-V247 PolarHBondContact O-N 2.61Å; R245-V247 PolarHBondContact O-N 3.25Å; V247-G250 PolarHBondContact O-N 3.45Å; V247-L251 VanDerWaalsContact O-CB 3.24Å; V247-L251 WeakPolarHBondContact O-CB 3.49Å; V247-L251 PolarHBondContact O-N 3.04Å; V247-V281 HydrophobicContact CG1-CB 4.24Å; V247-V281 HydrophobicContact CG1-CG1 3.71Å; V247-V281 HydrophobicContact CG1-CG2 3.41Å; V247-V281 VanDerWaalsContact CG1-CG2 3.41Å |
| 248 | L | 96.6 | Very high | 94.2 | Very high | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.6 | -40 | -179.4 | -177.2 | 57.9 | 0 | 0 | 0 | 112.1 | L183 V187 V225 I228 W229 K244 R245 L251 Y252 | L183-L248 HydrophobicContact CD2-CD1 4.17Å; L183-L248 HydrophobicContact CD2-CD2 3.88Å; V187-L248 HydrophobicContact CG2-CD1 3.98Å; V225-L248 HydrophobicContact CG1-CB 4.15Å; V225-L248 HydrophobicContact CG1-CD2 4.12Å; V225-L248 HydrophobicContact CG1-CG 4.29Å; V225-L248 HydrophobicContact CG2-CG 4.39Å; I228-L248 HydrophobicContact CB-CD2 4.04Å; I228-L248 HydrophobicContact CG2-CD2 3.7Å; W229-L248 HydrophobicContact CG-CD2 4.3Å; W229-L248 HydrophobicContact CZ2-CB 4.48Å; K244-L248 WeakPolarHBondContact O-CB 3.5Å; K244-L248 PolarHBondContact O-N 2.98Å; R245-L248 PolarHBondContact O-N 3.08Å; R245-L248 VanDerWaalsContact O-N 3.08Å; L248-L251 HydrophobicContact CD1-CD2 4.34Å; L248-L251 PolarHBondContact O-N 3.48Å; L248-Y252 WeakPolarHBondContact O-CB 3.44Å; L248-Y252 PolarHBondContact O-N 3.16Å |
| 249 | T | 97.7 | Very high | 94.9 | Very high | 36 Ų | 36 | 52.1 Ų | 52.1 | 22% | 0.221 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60 | -46.7 | 172.2 | -53 | 0 | 0 | 0 | 0 | 111.4 | L221 R245 L251 Y252 N253 | L221-T249 HydrophobicContact CD1-CG2 4.38Å; L221-T249 HydrophobicContact CD2-CG2 3.79Å; L221-T249 HydrophobicContact CG-CG2 4.05Å; R245-T249 WeakPolarHBondContact O-CB 3.28Å; R245-T249 PolarHBondContact O-N 2.71Å; R245-T249 PolarHBondContact O-OG1 3.16Å; T249-L251 VanDerWaalsContact C-N 3.32Å; T249-L251 PolarHBondContact O-N 3.13Å; T249-Y252 PolarHBondContact O-N 2.68Å; T249-N253 WeakPolarHBondContact O-CB 3.37Å; T249-N253 VanDerWaalsContact O-CG 3.25Å; T249-N253 PolarHBondContact O-N 3.26Å; T249-N253 PolarHBondContact O-OD1 3.36Å |
| 250 | G | 96.9 | Very high | 95.5 | Very high | 42 Ų | 42 | 47.3 Ų | 47.3 | 43% | 0.433 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.5 | -37.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | A246 V247 A254 | A246-G250 PolarHBondContact O-N 2.87Å; V247-G250 PolarHBondContact O-N 3.45Å; G250-A254 WeakPolarHBondContact O-CB 3.4Å; G250-A254 PolarHBondContact O-N 2.87Å; G250-A254 VanDerWaalsContact O-N 3.09Å |
| 251 | L | 97.3 | Very high | 96 | Very high | 16 Ų | 16 | 51.4 Ų | 51.4 | 8% | 0.084 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.1 | -44.4 | 176.9 | 179.9 | 155.1 | 0 | 0 | 0 | 112.2 | V187 V247 L248 T249 T255 L274 R277 I278 V281 | V187-L251 HydrophobicContact CG1-CD2 4.41Å; V187-L251 HydrophobicContact CG2-CD2 4.25Å; V247-L251 VanDerWaalsContact O-CB 3.24Å; V247-L251 WeakPolarHBondContact O-CB 3.49Å; V247-L251 PolarHBondContact O-N 3.04Å; L248-L251 HydrophobicContact CD1-CD2 4.34Å; L248-L251 PolarHBondContact O-N 3.48Å; T249-L251 VanDerWaalsContact C-N 3.32Å; T249-L251 PolarHBondContact O-N 3.13Å; L251-T255 WeakPolarHBondContact O-CB 3.16Å; L251-T255 PolarHBondContact O-N 3.26Å; L251-T255 PolarHBondContact O-OG1 3.1Å; L251-L274 HydrophobicContact CD2-CD1 3.51Å; L251-L274 HydrophobicContact CG-CD1 4.43Å; L251-R277 HydrophobicContact CD1-CB 3.97Å; L251-R277 HydrophobicContact CG-CB 4.14Å; L251-I278 HydrophobicContact CD1-CG1 3.78Å; L251-V281 HydrophobicContact CD1-CG2 4.36Å |
| 252 | Y | 98.3 | Very high | 96.3 | Very high | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.9 | -56.9 | 175.6 | -179.9 | -89.4 | 0 | 0 | 0 | 110.8 | V187 R190 L191 Y194 L221 M224 L248 T249 A254 T255 E256 | V187-Y252 HydrophobicContact CG1-CD2 4.16Å; V187-Y252 HydrophobicContact CG2-CD2 4.5Å; R190-Y252 HydrophobicContact CB-CE2 4.33Å; R190-Y252 HydrophobicContact CG-CE2 3.79Å; R190-Y252 PolarHBondContact NH1-OH 2.99Å; L191-Y252 HydrophobicContact CD2-CD2 4.4Å; L191-Y252 HydrophobicContact CD2-CE1 4.42Å; L191-Y252 HydrophobicContact CD2-CE2 3.66Å; L191-Y252 HydrophobicContact CG-CE2 3.95Å; Y194-Y252 WeakPolarHBondContact CE2-OH 3.39Å; Y194-Y252 PolarHBondContact OH-OH 3.07Å; L221-Y252 HydrophobicContact CD1-CD1 4.07Å; L221-Y252 HydrophobicContact CD1-CE1 4.4Å; M224-Y252 HydrophobicContact CE-CD1 3.87Å; M224-Y252 HydrophobicContact CE-CD2 3.6Å; M224-Y252 HydrophobicContact CE-CE1 3.89Å; M224-Y252 HydrophobicContact CE-CE2 3.6Å; M224-Y252 HydrophobicContact CE-CG 3.74Å; M224-Y252 HydrophobicContact SD-CE2 4.04Å; L248-Y252 WeakPolarHBondContact O-CB 3.44Å; L248-Y252 PolarHBondContact O-N 3.16Å; T249-Y252 PolarHBondContact O-N 2.68Å; Y252-A254 VanDerWaalsContact C-N 3.27Å; Y252-A254 PolarHBondContact O-N 3.39Å; Y252-T255 PolarHBondContact O-N 2.94Å; Y252-E256 WeakPolarHBondContact O-CB 3.43Å; Y252-E256 PolarHBondContact O-N 3.36Å |
| 253 | N | 97.6 | Very high | 96.6 | Very high | 54 Ų | 54 | 46.8 Ų | 46.8 | 29% | 0.289 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.8 | -35.7 | -178.1 | -65.3 | 15.8 | 0 | 0 | 0 | 112 | T249 L257 | T249-N253 WeakPolarHBondContact O-CB 3.37Å; T249-N253 VanDerWaalsContact O-CG 3.25Å; T249-N253 PolarHBondContact O-N 3.26Å; T249-N253 PolarHBondContact O-OD1 3.36Å; N253-L257 WeakPolarHBondContact O-CB 3.23Å; N253-L257 VanDerWaalsContact O-CG 3.28Å; N253-L257 WeakPolarHBondContact O-CG 3.37Å; N253-L257 PolarHBondContact O-N 3.42Å; N253-L257 VanDerWaalsContact O-N 3.13Å |
| 254 | A | 97.7 | Very high | 96.9 | Very high | 33 Ų | 33 | 43.9 Ų | 43.9 | 27% | 0.273 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.7 | -37.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G250 Y252 V258 F273 | G250-A254 WeakPolarHBondContact O-CB 3.4Å; G250-A254 PolarHBondContact O-N 2.87Å; G250-A254 VanDerWaalsContact O-N 3.09Å; Y252-A254 VanDerWaalsContact C-N 3.27Å; Y252-A254 PolarHBondContact O-N 3.39Å; A254-V258 WeakPolarHBondContact O-CG2 3.38Å; A254-V258 PolarHBondContact O-N 3.36Å; A254-V258 VanDerWaalsContact O-N 3.16Å; A254-F273 HydrophobicContact CB-CE1 4.07Å; A254-F273 HydrophobicContact CB-CZ 4.11Å |
| 255 | T | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -73 | -39.2 | 178.4 | -51.7 | 0 | 0 | 0 | 0 | 111 | L191 L251 Y252 L257 V258 M259 T270 F273 L274 | L191-T255 HydrophobicContact CD1-CG2 3.52Å; L251-T255 WeakPolarHBondContact O-CB 3.16Å; L251-T255 PolarHBondContact O-N 3.26Å; L251-T255 PolarHBondContact O-OG1 3.1Å; Y252-T255 PolarHBondContact O-N 2.94Å; T255-L257 PolarHBondContact O-N 3.4Å; T255-V258 PolarHBondContact O-N 3.47Å; T255-M259 WeakPolarHBondContact O-CB 3.38Å; T255-M259 PolarHBondContact O-N 2.92Å; T255-T270 HydrophobicContact CG2-CG2 3.57Å; T255-F273 HydrophobicContact CG2-CD1 4.42Å; T255-L274 HydrophobicContact CG2-CB 4.04Å; T255-L274 HydrophobicContact CG2-CD1 4.36Å |
| 256 | E | 98.1 | Very high | 97.2 | Very high | 17 Ų | 17 | 49.6 Ų | 49.6 | 8% | 0.079 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.9 | -45.6 | 171.9 | -174.8 | 176.1 | -134.3 | 0 | 0 | 111.8 | L191 Y194 W201 M205 Y252 V258 M259 L260 | L191-E256 HydrophobicContact CD2-CB 3.95Å; L191-E256 HydrophobicContact CD2-CG 4.28Å; Y194-E256 HydrophobicContact CE2-CG 4.04Å; Y194-E256 WeakPolarHBondContact CE2-OE1 3.16Å; Y194-E256 PolarHBondContact OH-OE1 2.77Å; W201-E256 PolarHBondContact NE1-OE1 2.94Å; W201-E256 VanDerWaalsContact NE1-OE1 3.16Å; M205-E256 HydrophobicContact CE-CG 4.03Å; M205-E256 WeakPolarHBondContact CE-OE2 3.25Å; M205-E256 HydrophobicContact SD-CG 4.17Å; Y252-E256 WeakPolarHBondContact O-CB 3.43Å; Y252-E256 PolarHBondContact O-N 3.36Å; E256-V258 VanDerWaalsContact C-N 3.34Å; E256-V258 PolarHBondContact O-N 3.36Å; E256-M259 WeakPolarHBondContact O-CB 3.29Å; E256-M259 PolarHBondContact O-N 3.09Å; E256-L260 PolarHBondContact O-N 3Å |
| 257 | L | 97.8 | Very high | 97.3 | Very high | 91 Ų | 91 | 48 Ų | 48 | 48% | 0.476 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.8 | -26.8 | 176.9 | -72.1 | 172.2 | 0 | 0 | 0 | 114.2 | M205 N253 T255 L260 | M205-L257 HydrophobicContact CE-CD2 4.03Å; N253-L257 WeakPolarHBondContact O-CB 3.23Å; N253-L257 VanDerWaalsContact O-CG 3.28Å; N253-L257 WeakPolarHBondContact O-CG 3.37Å; N253-L257 PolarHBondContact O-N 3.42Å; N253-L257 VanDerWaalsContact O-N 3.13Å; T255-L257 PolarHBondContact O-N 3.4Å; L257-L260 HydrophobicContact CD2-CD1 4.41Å |
| 258 | V | 97.9 | Very high | 97.5 | Very high | 44 Ų | 44 | 50.7 Ų | 50.7 | 27% | 0.267 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -73.9 | -43 | 171 | 167.8 | 0 | 0 | 0 | 0 | 110.4 | A254 T255 E256 L260 Q261 D262 F273 | A254-V258 WeakPolarHBondContact O-CG2 3.38Å; A254-V258 PolarHBondContact O-N 3.36Å; A254-V258 VanDerWaalsContact O-N 3.16Å; T255-V258 PolarHBondContact O-N 3.47Å; E256-V258 VanDerWaalsContact C-N 3.34Å; E256-V258 PolarHBondContact O-N 3.36Å; V258-L260 PolarHBondContact O-N 2.86Å; V258-Q261 PolarHBondContact O-N 3.38Å; V258-D262 PolarHBondContact O-N 2.87Å; V258-F273 HydrophobicContact CB-CD1 4.33Å; V258-F273 HydrophobicContact CG1-CB 4.26Å; V258-F273 HydrophobicContact CG1-CG 4.33Å; V258-F273 HydrophobicContact CG2-CD1 3.98Å; V258-F273 HydrophobicContact CG2-CD2 4.11Å; V258-F273 HydrophobicContact CG2-CE1 3.96Å; V258-F273 HydrophobicContact CG2-CE2 4.08Å; V258-F273 HydrophobicContact CG2-CG 4.06Å; V258-F273 HydrophobicContact CG2-CZ 4Å |
| 259 | M | 97.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.5 | -33.8 | 180 | -161.1 | -177.8 | 177 | 0 | 0 | 112.8 | L191 I195 M198 T255 E256 Q261 D262 F267 T270 W271 | L191-M259 HydrophobicContact CB-SD 3.9Å; I195-M259 HydrophobicContact CD1-CE 4.28Å; I195-M259 HydrophobicContact CG1-CE 3.68Å; M198-M259 HydrophobicContact CE-CB 4.29Å; M198-M259 HydrophobicContact CE-CE 4.47Å; M198-M259 HydrophobicContact CE-CG 3.78Å; M198-M259 VanDerWaalsContact CE-O 3.25Å; M198-M259 WeakPolarHBondContact CE-O 3.27Å; M198-M259 HydrophobicContact CE-SD 4.35Å; M198-M259 HydrophobicContact SD-CE 4.01Å; M198-M259 HydrophobicContact SD-CG 4.39Å; M198-M259 HydrophobicContact SD-SD 4.2Å; T255-M259 WeakPolarHBondContact O-CB 3.38Å; T255-M259 PolarHBondContact O-N 2.92Å; E256-M259 WeakPolarHBondContact O-CB 3.29Å; E256-M259 PolarHBondContact O-N 3.09Å; M259-Q261 PolarHBondContact O-N 3.16Å; M259-D262 PolarHBondContact O-N 3.07Å; M259-F267 HydrophobicContact CE-CD1 3.93Å; M259-F267 HydrophobicContact CE-CD2 3.92Å; M259-F267 HydrophobicContact CE-CE1 3.97Å; M259-F267 HydrophobicContact CE-CE2 3.96Å; M259-F267 HydrophobicContact CE-CG 3.92Å; M259-F267 HydrophobicContact CE-CZ 3.99Å; M259-F267 HydrophobicContact CG-CD1 3.59Å; M259-F267 HydrophobicContact CG-CE1 3.85Å; M259-F267 HydrophobicContact CG-CG 4.28Å; M259-T270 WeakPolarHBondContact CA-OG1 3.4Å; M259-T270 HydrophobicContact CB-CG2 3.8Å; M259-T270 HydrophobicContact CG-CG2 4.05Å; M259-W271 HydrophobicContact CE-CH2 4.16Å; M259-W271 HydrophobicContact CE-CZ2 4.43Å; M259-W271 HydrophobicContact SD-CH2 4.29Å |
| 260 | L | 96.4 | Very high | 97.6 | Very high | 51 Ų | 51 | 53.8 Ų | 53.8 | 27% | 0.267 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -20.2 | 173.1 | -74.2 | -173.3 | 0 | 0 | 0 | 115 | M198 W201 P202 M205 E256 L257 V258 | M198-L260 HydrophobicContact CE-CD2 4.09Å; W201-L260 HydrophobicContact CB-CD2 3.97Å; W201-L260 HydrophobicContact CG-CD2 4.31Å; P202-L260 HydrophobicContact CG-CD1 4.21Å; P202-L260 HydrophobicContact CG-CD2 3.81Å; M205-L260 HydrophobicContact SD-CD1 3.71Å; M205-L260 HydrophobicContact SD-CG 4.46Å; E256-L260 PolarHBondContact O-N 3Å; L257-L260 HydrophobicContact CD2-CD1 4.41Å; V258-L260 PolarHBondContact O-N 2.86Å |
| 261 | Q | 96.2 | Very high | 97.7 | Very high | 168 Ų | 168 | 52.5 Ų | 52.5 | 79% | 0.785 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.7 | -5.4 | -176.1 | -58.1 | -176.6 | 23.1 | 0 | 0 | 112.5 | V258 M259 | V258-Q261 PolarHBondContact O-N 3.38Å; M259-Q261 PolarHBondContact O-N 3.16Å |
| 262 | D | 97.6 | Very high | 97.7 | Very high | 19 Ų | 19 | 55.2 Ų | 55.2 | 10% | 0.102 | 31% | 0.308 | C | S | . | . | trans | -81 | 131.9 | -177 | -170.9 | -5.1 | 0 | 0 | 0 | 110.6 | V258 M259 S264 F267 T270 | V258-D262 PolarHBondContact O-N 2.87Å; M259-D262 PolarHBondContact O-N 3.07Å; D262-S264 VanDerWaalsContact CG-OG 3.3Å; D262-S264 WeakPolarHBondContact OD1-CB 3.31Å; D262-S264 PolarHBondContact OD1-N 2.98Å; D262-S264 PolarHBondContact OD1-OG 3.45Å; D262-S264 PolarHBondContact OD2-OG 2.91Å; D262-F267 HydrophobicContact CB-CD1 4.01Å; D262-F267 VanDerWaalsContact OD2-C 3.26Å; D262-F267 WeakPolarHBondContact OD2-CA 3.39Å; D262-T270 VanDerWaalsContact CB-OG1 3.31Å; D262-T270 WeakPolarHBondContact CB-OG1 3.34Å; D262-T270 WeakPolarHBondContact OD2-CB 3.31Å; D262-T270 PolarHBondContact OD2-N 3.22Å; D262-T270 PolarHBondContact OD2-OG1 3.25Å | ||
| 263 | S | 96.4 | Very high | 97.7 | Very high | 125 Ų | 125 | 57.4 Ų | 57.4 | 87% | 0.874 | 32% | 0.318 | S | S | * | . | trans | -128.3 | 16 | 174.8 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 264 | S | 97.8 | Very high | 97.7 | Very high | 22 Ų | 22 | 54.9 Ų | 54.9 | 15% | 0.154 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -73.3 | 153.5 | 173.7 | 69.4 | 0 | 0 | 0 | 0 | 110.9 | D262 D266 F267 Q268 D269 | D262-S264 VanDerWaalsContact CG-OG 3.3Å; D262-S264 WeakPolarHBondContact OD1-CB 3.31Å; D262-S264 PolarHBondContact OD1-N 2.98Å; D262-S264 PolarHBondContact OD1-OG 3.45Å; D262-S264 PolarHBondContact OD2-OG 2.91Å; S264-D266 PolarHBondContact O-N 3.49Å; S264-F267 PolarHBondContact O-N 3.44Å; S264-Q268 PolarHBondContact OG-N 3.47Å; S264-D269 PolarHBondContact OG-N 2.9Å |
| 265 | P | 97.3 | Very high | 97.7 | Very high | 97 Ų | 97 | 55.9 Ų | 55.9 | 63% | 0.63 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -63.3 | 124.4 | -178 | -19.2 | 31.9 | 0 | 0 | 0 | 110.9 | F267 Q268 | P265-F267 PolarHBondContact O-N 3.35Å; P265-Q268 WeakPolarHBondContact O-CG 3.5Å; P265-Q268 PolarHBondContact O-NE2 3.17Å |
| 266 | D | 96.9 | Very high | 97.6 | Very high | 94 Ų | 94 | 59.5 Ų | 59.5 | 50% | 0.503 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | 54.7 | 33.7 | -175.9 | -165.2 | 49.8 | 0 | 0 | 0 | 114.6 | R192 S264 Q268 W271 | R192-D266 IonicContact CZ-OD1 2.82Å; R192-D266 IonicContact CZ-OD2 2.66Å; R192-D266 IonicContact NH1-OD1 3.03Å; R192-D266 PolarHBondContact NH1-OD1 3.19Å; R192-D266 IonicContact NH1-OD2 2.82Å; R192-D266 PolarHBondContact NH1-OD2 3.42Å; R192-D266 IonicContact NH2-OD1 3.04Å; R192-D266 IonicContact NH2-OD2 2.79Å; R192-D266 PolarHBondContact NH2-OD2 3.07Å; S264-D266 PolarHBondContact O-N 3.49Å; D266-Q268 VanDerWaalsContact C-N 3.29Å; D266-Q268 PolarHBondContact O-N 2.79Å; D266-W271 PolarHBondContact O-NE1 2.92Å |
| 267 | F | 98.2 | Very high | 97.5 | Very high | 34 Ų | 34 | 63.8 Ų | 63.8 | 15% | 0.149 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | 59.2 | 33.2 | 174.8 | -57.1 | -88.1 | 0 | 0 | 0 | 114.6 | I195 M198 M259 D262 S264 P265 D269 T270 W271 | I195-F267 HydrophobicContact CD1-CD2 4.07Å; I195-F267 HydrophobicContact CD1-CE2 3.94Å; I195-F267 HydrophobicContact CG1-CD2 4.3Å; I195-F267 HydrophobicContact CG1-CE2 3.77Å; I195-F267 HydrophobicContact CG1-CZ 4.47Å; I195-F267 HydrophobicContact CG2-CE2 4.43Å; M198-F267 HydrophobicContact CE-CE1 4.08Å; M198-F267 HydrophobicContact CE-CZ 4.46Å; M198-F267 HydrophobicContact CG-CZ 4.12Å; M259-F267 HydrophobicContact CE-CD1 3.93Å; M259-F267 HydrophobicContact CE-CD2 3.92Å; M259-F267 HydrophobicContact CE-CE1 3.97Å; M259-F267 HydrophobicContact CE-CE2 3.96Å; M259-F267 HydrophobicContact CE-CG 3.92Å; M259-F267 HydrophobicContact CE-CZ 3.99Å; M259-F267 HydrophobicContact CG-CD1 3.59Å; M259-F267 HydrophobicContact CG-CE1 3.85Å; M259-F267 HydrophobicContact CG-CG 4.28Å; D262-F267 HydrophobicContact CB-CD1 4.01Å; D262-F267 VanDerWaalsContact OD2-C 3.26Å; D262-F267 WeakPolarHBondContact OD2-CA 3.39Å; S264-F267 PolarHBondContact O-N 3.44Å; P265-F267 PolarHBondContact O-N 3.35Å; F267-D269 VanDerWaalsContact C-N 3.27Å; F267-D269 PolarHBondContact O-N 3.34Å; F267-T270 WeakPolarHBondContact O-CB 3.48Å; F267-T270 PolarHBondContact O-N 3.33Å; F267-T270 VanDerWaalsContact O-N 3.08Å; F267-W271 HydrophobicContact CB-CZ2 3.82Å; F267-W271 PolarHBondContact O-N 3.28Å; F267-W271 PolarHBondContact O-NE1 2.93Å |
| 268 | Q | 98 | Very high | 97.4 | Very high | 112 Ų | 112 | 60 Ų | 60 | 52% | 0.523 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -54 | -37 | 179.2 | -85.4 | 169.7 | 78 | 0 | 0 | 114 | S264 P265 D266 T272 | S264-Q268 PolarHBondContact OG-N 3.47Å; P265-Q268 WeakPolarHBondContact O-CG 3.5Å; P265-Q268 PolarHBondContact O-NE2 3.17Å; D266-Q268 VanDerWaalsContact C-N 3.29Å; D266-Q268 PolarHBondContact O-N 2.79Å; Q268-T272 VanDerWaalsContact O-CB 3.28Å; Q268-T272 WeakPolarHBondContact O-CB 3.38Å; Q268-T272 PolarHBondContact O-N 3.03Å; Q268-T272 PolarHBondContact O-OG1 2.92Å |
| 269 | D | 98.2 | Very high | 97.1 | Very high | 105 Ų | 105 | 63.1 Ų | 63.1 | 56% | 0.561 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -71.2 | -36.4 | 178.2 | -71.5 | -23 | 0 | 0 | 0 | 111.1 | S264 F267 T272 F273 | S264-D269 PolarHBondContact OG-N 2.9Å; F267-D269 VanDerWaalsContact C-N 3.27Å; F267-D269 PolarHBondContact O-N 3.34Å; D269-T272 PolarHBondContact O-N 3.23Å; D269-F273 WeakPolarHBondContact O-CB 3.25Å; D269-F273 PolarHBondContact O-N 3.26Å |
| 270 | T | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 171.6 | -57.7 | 0 | 0 | 0 | 0 | 112 | T255 M259 D262 F267 T272 F273 L274 | T255-T270 HydrophobicContact CG2-CG2 3.57Å; M259-T270 WeakPolarHBondContact CA-OG1 3.4Å; M259-T270 HydrophobicContact CB-CG2 3.8Å; M259-T270 HydrophobicContact CG-CG2 4.05Å; D262-T270 VanDerWaalsContact CB-OG1 3.31Å; D262-T270 WeakPolarHBondContact CB-OG1 3.34Å; D262-T270 WeakPolarHBondContact OD2-CB 3.31Å; D262-T270 PolarHBondContact OD2-N 3.22Å; D262-T270 PolarHBondContact OD2-OG1 3.25Å; F267-T270 WeakPolarHBondContact O-CB 3.48Å; F267-T270 PolarHBondContact O-N 3.33Å; F267-T270 VanDerWaalsContact O-N 3.08Å; T270-T272 VanDerWaalsContact C-N 3.34Å; T270-F273 WeakPolarHBondContact O-CB 3.38Å; T270-F273 PolarHBondContact O-N 3.15Å; T270-L274 WeakPolarHBondContact O-CB 3.46Å; T270-L274 PolarHBondContact O-N 3.27Å |
| 271 | W | 98.3 | Very high | 96.5 | Very high | 14 Ų | 14 | 66 Ų | 66 | 5% | 0.053 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.4 | -35.8 | 178.5 | -48.3 | 136.1 | 0 | 0 | 0 | 111.6 | E188 L191 R192 M259 D266 F267 F273 L274 D275 | E188-W271 HydrophobicContact CB-CE3 4.11Å; E188-W271 HydrophobicContact CB-CZ3 4.08Å; E188-W271 HydrophobicContact CG-CD2 3.97Å; E188-W271 HydrophobicContact CG-CE3 3.85Å; E188-W271 HydrophobicContact CG-CH2 3.98Å; E188-W271 HydrophobicContact CG-CZ2 4.06Å; E188-W271 HydrophobicContact CG-CZ3 3.86Å; L191-W271 HydrophobicContact CB-CH2 4.05Å; L191-W271 HydrophobicContact CB-CZ3 4.16Å; L191-W271 HydrophobicContact CD1-CZ3 4.26Å; R192-W271 HydrophobicContact CG-CH2 4.02Å; R192-W271 HydrophobicContact CG-CZ2 3.82Å; M259-W271 HydrophobicContact CE-CH2 4.16Å; M259-W271 HydrophobicContact CE-CZ2 4.43Å; M259-W271 HydrophobicContact SD-CH2 4.29Å; D266-W271 PolarHBondContact O-NE1 2.92Å; F267-W271 HydrophobicContact CB-CZ2 3.82Å; F267-W271 PolarHBondContact O-N 3.28Å; F267-W271 PolarHBondContact O-NE1 2.93Å; W271-F273 VanDerWaalsContact C-N 3.34Å; W271-F273 PolarHBondContact O-N 3.28Å; W271-L274 HydrophobicContact CE3-CD2 4.15Å; W271-L274 WeakPolarHBondContact O-CB 3.38Å; W271-L274 PolarHBondContact O-N 3.29Å; W271-D275 PolarHBondContact O-N 3.47Å |
| 272 | T | 98.2 | Very high | 96.1 | Very high | 74 Ų | 74 | 60.9 Ų | 60.9 | 45% | 0.454 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 171.3 | -59.6 | 0 | 0 | 0 | 0 | 111.3 | Q268 D269 T270 N276 | Q268-T272 VanDerWaalsContact O-CB 3.28Å; Q268-T272 WeakPolarHBondContact O-CB 3.38Å; Q268-T272 PolarHBondContact O-N 3.03Å; Q268-T272 PolarHBondContact O-OG1 2.92Å; D269-T272 PolarHBondContact O-N 3.23Å; T270-T272 VanDerWaalsContact C-N 3.34Å; T272-N276 PolarHBondContact O-N 3.23Å; T272-N276 VanDerWaalsContact O-N 3.14Å; T272-N276 PolarHBondContact O-ND2 3.25Å |
| 273 | F | 98.3 | Very high | 95.7 | Very high | 50 Ų | 50 | 64.5 Ų | 64.5 | 22% | 0.219 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 173.6 | 175.9 | -92.8 | 0 | 0 | 0 | 112 | A254 T255 V258 D269 T270 W271 N276 R277 | A254-F273 HydrophobicContact CB-CE1 4.07Å; A254-F273 HydrophobicContact CB-CZ 4.11Å; T255-F273 HydrophobicContact CG2-CD1 4.42Å; V258-F273 HydrophobicContact CB-CD1 4.33Å; V258-F273 HydrophobicContact CG1-CB 4.26Å; V258-F273 HydrophobicContact CG1-CG 4.33Å; V258-F273 HydrophobicContact CG2-CD1 3.98Å; V258-F273 HydrophobicContact CG2-CD2 4.11Å; V258-F273 HydrophobicContact CG2-CE1 3.96Å; V258-F273 HydrophobicContact CG2-CE2 4.08Å; V258-F273 HydrophobicContact CG2-CG 4.06Å; V258-F273 HydrophobicContact CG2-CZ 4Å; D269-F273 WeakPolarHBondContact O-CB 3.25Å; D269-F273 PolarHBondContact O-N 3.26Å; T270-F273 WeakPolarHBondContact O-CB 3.38Å; T270-F273 PolarHBondContact O-N 3.15Å; W271-F273 VanDerWaalsContact C-N 3.34Å; W271-F273 PolarHBondContact O-N 3.28Å; F273-N276 PolarHBondContact O-N 2.92Å; F273-R277 HydrophobicContact CD1-CG 4.15Å; F273-R277 HydrophobicContact CE1-CG 3.73Å; F273-R277 HydrophobicContact CE2-CG 4.24Å; F273-R277 HydrophobicContact CZ-CG 3.79Å; F273-R277 WeakPolarHBondContact O-CG 3.38Å; F273-R277 PolarHBondContact O-N 3.04Å |
| 274 | L | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.7 | -50.8 | 176.5 | 178.5 | 59.2 | 0 | 0 | 0 | 111.8 | R184 V187 E188 L251 T255 T270 W271 N276 R277 I278 | R184-L274 HydrophobicContact CG-CD2 4.37Å; V187-L274 HydrophobicContact CB-CD1 4.12Å; V187-L274 HydrophobicContact CB-CD2 4.21Å; V187-L274 HydrophobicContact CG1-CD1 3.69Å; V187-L274 HydrophobicContact CG1-CD2 3.98Å; E188-L274 HydrophobicContact CB-CD2 4.28Å; L251-L274 HydrophobicContact CD2-CD1 3.51Å; L251-L274 HydrophobicContact CG-CD1 4.43Å; T255-L274 HydrophobicContact CG2-CB 4.04Å; T255-L274 HydrophobicContact CG2-CD1 4.36Å; T270-L274 WeakPolarHBondContact O-CB 3.46Å; T270-L274 PolarHBondContact O-N 3.27Å; W271-L274 HydrophobicContact CE3-CD2 4.15Å; W271-L274 WeakPolarHBondContact O-CB 3.38Å; W271-L274 PolarHBondContact O-N 3.29Å; L274-N276 VanDerWaalsContact C-N 3.31Å; L274-N276 PolarHBondContact O-N 3.45Å; L274-R277 PolarHBondContact O-N 3.19Å; L274-I278 HydrophobicContact CD1-CD1 3.85Å; L274-I278 HydrophobicContact CD1-CG1 4.32Å; L274-I278 HydrophobicContact CG-CD1 4.04Å; L274-I278 WeakPolarHBondContact O-CG1 3.47Å; L274-I278 PolarHBondContact O-N 3.13Å |
| 275 | D | 97.1 | Very high | 94.5 | Very high | 54 Ų | 54 | 66.2 Ų | 66.2 | 29% | 0.289 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.7 | -41.7 | 178.5 | -73.6 | -23.8 | 0 | 0 | 0 | 111.8 | R184 W271 I278 Q279 | R184-D275 WeakPolarHBondContact CD-OD1 3.39Å; R184-D275 WeakPolarHBondContact CG-OD1 3.38Å; R184-D275 IonicContact CZ-OD1 2.69Å; R184-D275 IonicContact NE-OD1 3.43Å; R184-D275 PolarHBondContact NE-OD1 2.99Å; R184-D275 IonicContact NE-OD2 2.74Å; W271-D275 PolarHBondContact O-N 3.47Å; D275-I278 PolarHBondContact O-N 3.46Å; D275-Q279 WeakPolarHBondContact O-CG 3.32Å; D275-Q279 PolarHBondContact O-N 2.88Å; D275-Q279 VanDerWaalsContact O-N 3.08Å; D275-Q279 PolarHBondContact O-NE2 3.37Å |
| 276 | N | 96.5 | Very high | 93.9 | Very high | 77 Ų | 77 | 65.9 Ų | 65.9 | 41% | 0.412 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.9 | -45.4 | 175.6 | -78.5 | -63 | 0 | 0 | 0 | 111.8 | T272 F273 L274 I278 Q279 D280 | T272-N276 PolarHBondContact O-N 3.23Å; T272-N276 VanDerWaalsContact O-N 3.14Å; T272-N276 PolarHBondContact O-ND2 3.25Å; F273-N276 PolarHBondContact O-N 2.92Å; L274-N276 VanDerWaalsContact C-N 3.31Å; L274-N276 PolarHBondContact O-N 3.45Å; N276-I278 VanDerWaalsContact C-N 3.34Å; N276-I278 PolarHBondContact O-N 3.02Å; N276-Q279 WeakPolarHBondContact O-CB 3.32Å; N276-Q279 PolarHBondContact O-N 3.35Å; N276-D280 PolarHBondContact O-N 2.94Å |
| 277 | R | 95.5 | Very high | 93.4 | Very high | 106 Ų | 106 | 66 Ų | 66 | 40% | 0.4 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.1 | -36 | 178.4 | -69.9 | -68.1 | 88.6 | 118.6 | 0.3 | 112.9 | L251 F273 L274 D280 V281 | L251-R277 HydrophobicContact CD1-CB 3.97Å; L251-R277 HydrophobicContact CG-CB 4.14Å; F273-R277 HydrophobicContact CD1-CG 4.15Å; F273-R277 HydrophobicContact CE1-CG 3.73Å; F273-R277 HydrophobicContact CE2-CG 4.24Å; F273-R277 HydrophobicContact CZ-CG 3.79Å; F273-R277 WeakPolarHBondContact O-CG 3.38Å; F273-R277 PolarHBondContact O-N 3.04Å; L274-R277 PolarHBondContact O-N 3.19Å; R277-D280 IonicContact CZ-OD2 3.39Å; R277-D280 IonicContact NE-OD2 2.68Å; R277-D280 PolarHBondContact NE-OD2 2.89Å; R277-D280 IonicContact NH2-OD2 3.59Å; R277-D280 PolarHBondContact NH2-OD2 3.42Å; R277-D280 PolarHBondContact O-N 3.22Å; R277-V281 WeakPolarHBondContact O-CG2 3.5Å; R277-V281 PolarHBondContact O-N 3.11Å; R277-V281 VanDerWaalsContact O-N 3.08Å |
| 278 | I | 95 | Very high | 92.7 | Very high | 13 Ų | 13 | 67.2 Ų | 67.2 | 7% | 0.067 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -69.1 | -37.1 | 175.4 | -68 | 173 | 0 | 0 | 0 | 111.2 | A180 R184 L251 L274 D275 N276 T282 | A180-I278 HydrophobicContact CB-CG2 3.68Å; R184-I278 HydrophobicContact CB-CD1 3.5Å; R184-I278 HydrophobicContact CG-CD1 4.16Å; L251-I278 HydrophobicContact CD1-CG1 3.78Å; L274-I278 HydrophobicContact CD1-CD1 3.85Å; L274-I278 HydrophobicContact CD1-CG1 4.32Å; L274-I278 HydrophobicContact CG-CD1 4.04Å; L274-I278 WeakPolarHBondContact O-CG1 3.47Å; L274-I278 PolarHBondContact O-N 3.13Å; D275-I278 PolarHBondContact O-N 3.46Å; N276-I278 VanDerWaalsContact C-N 3.34Å; N276-I278 PolarHBondContact O-N 3.02Å; I278-T282 WeakPolarHBondContact O-CB 3.46Å; I278-T282 PolarHBondContact O-N 3.38Å; I278-T282 PolarHBondContact O-OG1 3.22Å |
| 279 | Q | 93.4 | Very high | 92 | Very high | 109 Ų | 109 | 69.1 Ų | 69.1 | 51% | 0.509 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 171.7 | -73.1 | 172.8 | 62.1 | 0 | 0 | 111.8 | D275 N276 V281 T282 N283 | D275-Q279 WeakPolarHBondContact O-CG 3.32Å; D275-Q279 PolarHBondContact O-N 2.88Å; D275-Q279 VanDerWaalsContact O-N 3.08Å; D275-Q279 PolarHBondContact O-NE2 3.37Å; N276-Q279 WeakPolarHBondContact O-CB 3.32Å; N276-Q279 PolarHBondContact O-N 3.35Å; Q279-V281 PolarHBondContact O-N 3.26Å; Q279-T282 PolarHBondContact O-N 2.91Å; Q279-N283 WeakPolarHBondContact O-CB 3.36Å; Q279-N283 PolarHBondContact O-N 3.32Å; Q279-N283 PolarHBondContact O-ND2 2.82Å; Q279-N283 VanDerWaalsContact O-ND2 3.11Å |
| 280 | D | 90.9 | Very high | 91.5 | Very high | 61 Ų | 61 | 69.8 Ų | 69.8 | 33% | 0.326 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57 | -49.3 | 176.1 | -68.7 | -47.4 | 0 | 0 | 0 | 111.9 | N276 R277 T282 N283 M284 | N276-D280 PolarHBondContact O-N 2.94Å; R277-D280 IonicContact CZ-OD2 3.39Å; R277-D280 IonicContact NE-OD2 2.68Å; R277-D280 PolarHBondContact NE-OD2 2.89Å; R277-D280 IonicContact NH2-OD2 3.59Å; R277-D280 PolarHBondContact NH2-OD2 3.42Å; R277-D280 PolarHBondContact O-N 3.22Å; D280-T282 VanDerWaalsContact C-N 3.31Å; D280-T282 PolarHBondContact O-N 3.14Å; D280-N283 PolarHBondContact O-N 2.8Å; D280-M284 WeakPolarHBondContact O-CB 3.29Å; D280-M284 VanDerWaalsContact O-CG 3.3Å; D280-M284 WeakPolarHBondContact O-CG 3.27Å; D280-M284 PolarHBondContact O-N 3.49Å |
| 281 | V | 89.5 | Confident | 90.9 | Very high | 51 Ų | 51 | 77 Ų | 77 | 31% | 0.309 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.3 | -42.1 | 177.2 | 169.2 | 0 | 0 | 0 | 0 | 111.4 | V247 L251 R277 Q279 M284 A285 | V247-V281 HydrophobicContact CG1-CB 4.24Å; V247-V281 HydrophobicContact CG1-CG1 3.71Å; V247-V281 HydrophobicContact CG1-CG2 3.41Å; V247-V281 VanDerWaalsContact CG1-CG2 3.41Å; L251-V281 HydrophobicContact CD1-CG2 4.36Å; R277-V281 WeakPolarHBondContact O-CG2 3.5Å; R277-V281 PolarHBondContact O-N 3.11Å; R277-V281 VanDerWaalsContact O-N 3.08Å; Q279-V281 PolarHBondContact O-N 3.26Å; V281-M284 PolarHBondContact O-N 2.95Å; V281-A285 WeakPolarHBondContact O-CB 3.18Å; V281-A285 PolarHBondContact O-N 3.44Å |
| 282 | T | 88.6 | Confident | 90.3 | Very high | 61 Ų | 61 | 82.2 Ų | 82.2 | 37% | 0.374 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.7 | -45.2 | 177.5 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | I278 Q279 D280 A285 V286 | I278-T282 WeakPolarHBondContact O-CB 3.46Å; I278-T282 PolarHBondContact O-N 3.38Å; I278-T282 PolarHBondContact O-OG1 3.22Å; Q279-T282 PolarHBondContact O-N 2.91Å; D280-T282 VanDerWaalsContact C-N 3.31Å; D280-T282 PolarHBondContact O-N 3.14Å; T282-A285 PolarHBondContact O-N 3.44Å; T282-V286 WeakPolarHBondContact O-CG2 3.28Å; T282-V286 PolarHBondContact O-N 2.93Å |
| 283 | N | 88.2 | Confident | 89.8 | Confident | 95 Ų | 95 | 81.3 Ų | 81.3 | 51% | 0.508 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 178.1 | -70.6 | -31.9 | 0 | 0 | 0 | 111.9 | Q279 D280 V286 T287 | Q279-N283 WeakPolarHBondContact O-CB 3.36Å; Q279-N283 PolarHBondContact O-N 3.32Å; Q279-N283 PolarHBondContact O-ND2 2.82Å; Q279-N283 VanDerWaalsContact O-ND2 3.11Å; D280-N283 PolarHBondContact O-N 2.8Å; N283-V286 PolarHBondContact O-N 3.22Å; N283-T287 WeakPolarHBondContact O-CB 3.44Å; N283-T287 PolarHBondContact O-N 3.18Å; N283-T287 PolarHBondContact O-OG1 3.06Å |
| 284 | M | 85.1 | Confident | 89.3 | Confident | 135 Ų | 135 | 82 Ų | 82 | 67% | 0.665 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -61.9 | -45 | 173.2 | -73.4 | 175.4 | 65.6 | 0 | 0 | 111.6 | D280 V281 V286 T287 A288 | D280-M284 WeakPolarHBondContact O-CB 3.29Å; D280-M284 VanDerWaalsContact O-CG 3.3Å; D280-M284 WeakPolarHBondContact O-CG 3.27Å; D280-M284 PolarHBondContact O-N 3.49Å; V281-M284 PolarHBondContact O-N 2.95Å; M284-V286 PolarHBondContact O-N 2.68Å; M284-T287 PolarHBondContact O-N 2.92Å; M284-A288 WeakPolarHBondContact O-CB 3.43Å; M284-A288 PolarHBondContact O-N 2.99Å |
| 285 | A | 84.6 | Confident | 88.8 | Confident | 48 Ų | 48 | 84 Ų | 84 | 40% | 0.397 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.1 | -38.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | V281 T282 K289 | V281-A285 WeakPolarHBondContact O-CB 3.18Å; V281-A285 PolarHBondContact O-N 3.44Å; T282-A285 PolarHBondContact O-N 3.44Å; A285-K289 WeakPolarHBondContact O-CG 3.46Å; A285-K289 PolarHBondContact O-N 3.36Å |
| 286 | V | 84.9 | Confident | 88.4 | Confident | 91 Ų | 91 | 86 Ų | 86 | 55% | 0.552 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -66.1 | -45.5 | 172.8 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | T282 N283 M284 A288 K289 Q290 | T282-V286 WeakPolarHBondContact O-CG2 3.28Å; T282-V286 PolarHBondContact O-N 2.93Å; N283-V286 PolarHBondContact O-N 3.22Å; M284-V286 PolarHBondContact O-N 2.68Å; V286-A288 PolarHBondContact O-N 3.43Å; V286-K289 PolarHBondContact O-N 3.43Å; V286-Q290 WeakPolarHBondContact O-CB 3.44Å; V286-Q290 PolarHBondContact O-N 2.88Å |
| 287 | T | 86 | Confident | 88.1 | Confident | 95 Ų | 95 | 85.2 Ų | 85.2 | 58% | 0.583 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.3 | -43.2 | -179.8 | -56.9 | 0 | 0 | 0 | 0 | 111.8 | N283 M284 Q290 M291 | N283-T287 WeakPolarHBondContact O-CB 3.44Å; N283-T287 PolarHBondContact O-N 3.18Å; N283-T287 PolarHBondContact O-OG1 3.06Å; M284-T287 PolarHBondContact O-N 2.92Å; T287-Q290 PolarHBondContact O-N 3.21Å; T287-M291 WeakPolarHBondContact O-CB 3.49Å; T287-M291 PolarHBondContact O-N 2.91Å |
| 288 | A | 83.9 | Confident | 87.9 | Confident | 61 Ų | 61 | 84.2 Ų | 84.2 | 50% | 0.504 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | M284 V286 M291 Q292 | M284-A288 WeakPolarHBondContact O-CB 3.43Å; M284-A288 PolarHBondContact O-N 2.99Å; V286-A288 PolarHBondContact O-N 3.43Å; A288-M291 PolarHBondContact O-N 2.6Å; A288-Q292 PolarHBondContact O-N 3.2Å |
| 289 | K | 83.9 | Confident | 87.7 | Confident | 152 Ų | 152 | 86.1 Ų | 86.1 | 66% | 0.661 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61 | -45 | 175.9 | -74 | 175.4 | 179 | -178.6 | 0 | 112.1 | A285 V286 M291 Q292 S293 | A285-K289 WeakPolarHBondContact O-CG 3.46Å; A285-K289 PolarHBondContact O-N 3.36Å; V286-K289 PolarHBondContact O-N 3.43Å; K289-M291 VanDerWaalsContact C-N 3.33Å; K289-M291 PolarHBondContact O-N 3.05Å; K289-Q292 PolarHBondContact O-N 2.82Å; K289-S293 PolarHBondContact O-N 2.94Å; K289-S293 PolarHBondContact O-OG 3.41Å |
| 290 | Q | 86.1 | Confident | 87.6 | Confident | 118 Ų | 118 | 87.6 Ų | 87.6 | 55% | 0.551 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.5 | -37.5 | 178.1 | -175.8 | 60.2 | 47.6 | 0 | 0 | 111.9 | V286 T287 S293 T294 | V286-Q290 WeakPolarHBondContact O-CB 3.44Å; V286-Q290 PolarHBondContact O-N 2.88Å; T287-Q290 PolarHBondContact O-N 3.21Å; Q290-S293 PolarHBondContact O-OG 2.97Å; Q290-T294 PolarHBondContact NE2-OG1 2.99Å; Q290-T294 VanDerWaalsContact O-CB 3.24Å; Q290-T294 WeakPolarHBondContact O-CB 3.17Å; Q290-T294 PolarHBondContact O-N 2.7Å; Q290-T294 PolarHBondContact O-OG1 3.45Å |
| 291 | M | 87.3 | Confident | 87.6 | Confident | 151 Ų | 151 | 86.9 Ų | 86.9 | 74% | 0.744 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.1 | -43.7 | 176 | -171.9 | 176.5 | -178.4 | 0 | 0 | 111.4 | T287 A288 K289 G295 | T287-M291 WeakPolarHBondContact O-CB 3.49Å; T287-M291 PolarHBondContact O-N 2.91Å; A288-M291 PolarHBondContact O-N 2.6Å; K289-M291 VanDerWaalsContact C-N 3.33Å; K289-M291 PolarHBondContact O-N 3.05Å; M291-G295 PolarHBondContact O-N 3.2Å |
| 292 | Q | 86.3 | Confident | 87.8 | Confident | 124 Ų | 124 | 90.1 Ų | 90.1 | 58% | 0.579 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.2 | -54.1 | 175.6 | -180 | 178.2 | -10.6 | 0 | 0 | 111.6 | A288 K289 T294 G295 E296 | A288-Q292 PolarHBondContact O-N 3.2Å; K289-Q292 PolarHBondContact O-N 2.82Å; Q292-T294 VanDerWaalsContact C-N 3.27Å; Q292-T294 PolarHBondContact O-N 3.44Å; Q292-G295 PolarHBondContact O-N 3.12Å; Q292-G295 VanDerWaalsContact O-N 3.08Å; Q292-E296 VanDerWaalsContact CG-OE1 3.26Å; Q292-E296 WeakPolarHBondContact CG-OE1 3.49Å; Q292-E296 PolarHBondContact NE2-OE1 3.32Å; Q292-E296 PolarHBondContact O-N 3.15Å |
| 293 | S | 87.4 | Confident | 87.8 | Confident | 55 Ų | 55 | 93.6 Ų | 93.6 | 39% | 0.385 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.4 | -33.6 | -177.6 | 64.8 | 0 | 0 | 0 | 0 | 112.7 | K289 Q290 A297 | K289-S293 PolarHBondContact O-N 2.94Å; K289-S293 PolarHBondContact O-OG 3.41Å; Q290-S293 PolarHBondContact O-OG 2.97Å; S293-A297 VanDerWaalsContact O-CB 3.29Å; S293-A297 WeakPolarHBondContact O-CB 3.25Å; S293-A297 PolarHBondContact O-N 2.67Å |
| 294 | T | 88.1 | Confident | 88 | Confident | 66 Ų | 66 | 90.8 Ų | 90.8 | 41% | 0.405 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.5 | -41.4 | 174 | -53 | 0 | 0 | 0 | 0 | 111.2 | Q290 Q292 A297 V298 | Q290-T294 PolarHBondContact NE2-OG1 2.99Å; Q290-T294 VanDerWaalsContact O-CB 3.24Å; Q290-T294 WeakPolarHBondContact O-CB 3.17Å; Q290-T294 PolarHBondContact O-N 2.7Å; Q290-T294 PolarHBondContact O-OG1 3.45Å; Q292-T294 VanDerWaalsContact C-N 3.27Å; Q292-T294 PolarHBondContact O-N 3.44Å; T294-A297 PolarHBondContact O-N 3.22Å; T294-V298 WeakPolarHBondContact O-CB 3.13Å; T294-V298 VanDerWaalsContact O-CG2 3.29Å; T294-V298 WeakPolarHBondContact O-CG2 3.46Å; T294-V298 PolarHBondContact O-N 3.25Å |
| 295 | G | 87.7 | Confident | 88.3 | Confident | 42 Ų | 42 | 86.7 Ų | 86.7 | 43% | 0.433 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | M291 Q292 V298 A299 | M291-G295 PolarHBondContact O-N 3.2Å; Q292-G295 PolarHBondContact O-N 3.12Å; Q292-G295 VanDerWaalsContact O-N 3.08Å; G295-V298 PolarHBondContact O-N 3.29Å; G295-A299 WeakPolarHBondContact O-CB 3.45Å; G295-A299 PolarHBondContact O-N 2.95Å |
| 296 | E | 87.8 | Confident | 88.5 | Confident | 95 Ų | 95 | 87 Ų | 87 | 44% | 0.444 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 175.4 | -71.3 | 174.1 | -164.7 | 0 | 0 | 111.8 | Q292 V298 A299 Q300 | Q292-E296 VanDerWaalsContact CG-OE1 3.26Å; Q292-E296 WeakPolarHBondContact CG-OE1 3.49Å; Q292-E296 PolarHBondContact NE2-OE1 3.32Å; Q292-E296 PolarHBondContact O-N 3.15Å; E296-V298 PolarHBondContact O-N 3.2Å; E296-A299 PolarHBondContact O-N 3.03Å; E296-Q300 WeakPolarHBondContact O-CB 3.24Å; E296-Q300 VanDerWaalsContact O-CG 3.32Å; E296-Q300 WeakPolarHBondContact O-CG 3.5Å; E296-Q300 PolarHBondContact O-N 2.86Å |
| 297 | A | 89.8 | Confident | 88.7 | Confident | 60 Ų | 60 | 86.7 Ų | 86.7 | 50% | 0.496 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.1 | -40.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S293 T294 G301 | S293-A297 VanDerWaalsContact O-CB 3.29Å; S293-A297 WeakPolarHBondContact O-CB 3.25Å; S293-A297 PolarHBondContact O-N 2.67Å; T294-A297 PolarHBondContact O-N 3.22Å; A297-G301 PolarHBondContact O-N 3.36Å |
| 298 | V | 91.8 | Very high | 89 | Confident | 86 Ų | 86 | 85.8 Ų | 85.8 | 52% | 0.521 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 174.9 | 168.6 | 0 | 0 | 0 | 0 | 111 | T294 G295 E296 G301 L302 | T294-V298 WeakPolarHBondContact O-CB 3.13Å; T294-V298 VanDerWaalsContact O-CG2 3.29Å; T294-V298 WeakPolarHBondContact O-CG2 3.46Å; T294-V298 PolarHBondContact O-N 3.25Å; G295-V298 PolarHBondContact O-N 3.29Å; E296-V298 PolarHBondContact O-N 3.2Å; V298-G301 PolarHBondContact O-N 3.34Å; V298-L302 HydrophobicContact CG1-CD1 3.97Å; V298-L302 HydrophobicContact CG1-CG 4.45Å; V298-L302 WeakPolarHBondContact O-CB 3.29Å; V298-L302 WeakPolarHBondContact O-CG 3.39Å; V298-L302 PolarHBondContact O-N 3.09Å |
| 299 | A | 89.9 | Confident | 89.1 | Confident | 53 Ų | 53 | 88 Ų | 88 | 44% | 0.438 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | G295 E296 L302 M303 | G295-A299 WeakPolarHBondContact O-CB 3.45Å; G295-A299 PolarHBondContact O-N 2.95Å; E296-A299 PolarHBondContact O-N 3.03Å; A299-L302 PolarHBondContact O-N 2.86Å; A299-M303 WeakPolarHBondContact O-CB 3.3Å; A299-M303 VanDerWaalsContact O-CG 3.24Å; A299-M303 WeakPolarHBondContact O-CG 3.38Å; A299-M303 PolarHBondContact O-N 3.45Å |
| 300 | Q | 91.2 | Very high | 89.1 | Confident | 140 Ų | 140 | 86.2 Ų | 86.2 | 65% | 0.654 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.1 | -42.5 | 175.3 | -71.4 | 177.4 | 14.3 | 0 | 0 | 112 | E296 M303 G304 | E296-Q300 WeakPolarHBondContact O-CB 3.24Å; E296-Q300 VanDerWaalsContact O-CG 3.32Å; E296-Q300 WeakPolarHBondContact O-CG 3.5Å; E296-Q300 PolarHBondContact O-N 2.86Å; Q300-M303 PolarHBondContact O-N 3.07Å; Q300-G304 PolarHBondContact O-N 3.08Å |
| 301 | G | 92.1 | Very high | 89.2 | Confident | 46 Ų | 46 | 85.1 Ų | 85.1 | 47% | 0.474 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | A297 V298 G304 A305 | A297-G301 PolarHBondContact O-N 3.36Å; V298-G301 PolarHBondContact O-N 3.34Å; G301-G304 PolarHBondContact O-N 3.44Å; G301-A305 WeakPolarHBondContact O-CB 3.42Å; G301-A305 PolarHBondContact O-N 3.15Å |
| 302 | L | 92.5 | Very high | 89.1 | Confident | 118 Ų | 118 | 84.5 Ų | 84.5 | 62% | 0.618 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64 | -41.9 | 175.6 | -71.2 | 171.4 | 0 | 0 | 0 | 112.1 | V298 A299 A305 A306 | V298-L302 HydrophobicContact CG1-CD1 3.97Å; V298-L302 HydrophobicContact CG1-CG 4.45Å; V298-L302 WeakPolarHBondContact O-CB 3.29Å; V298-L302 WeakPolarHBondContact O-CG 3.39Å; V298-L302 PolarHBondContact O-N 3.09Å; A299-L302 PolarHBondContact O-N 2.86Å; L302-A305 PolarHBondContact O-N 3.15Å; L302-A306 WeakPolarHBondContact O-CB 3.47Å; L302-A306 PolarHBondContact O-N 3.21Å |
| 303 | M | 90.4 | Very high | 89 | Confident | 134 Ų | 134 | 82.9 Ų | 82.9 | 66% | 0.66 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.1 | -42 | 176 | -71.6 | -73.1 | -86.5 | 0 | 0 | 111.8 | A299 Q300 A306 V307 | A299-M303 WeakPolarHBondContact O-CB 3.3Å; A299-M303 VanDerWaalsContact O-CG 3.24Å; A299-M303 WeakPolarHBondContact O-CG 3.38Å; A299-M303 PolarHBondContact O-N 3.45Å; Q300-M303 PolarHBondContact O-N 3.07Å; M303-A306 PolarHBondContact O-N 3.09Å; M303-V307 WeakPolarHBondContact O-CG2 3.41Å; M303-V307 PolarHBondContact O-N 3.22Å |
| 304 | G | 91.3 | Very high | 88.1 | Confident | 36 Ų | 36 | 82.3 Ų | 82.3 | 37% | 0.371 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | Q300 G301 T308 | Q300-G304 PolarHBondContact O-N 3.08Å; G301-G304 PolarHBondContact O-N 3.44Å; G304-T308 WeakPolarHBondContact O-CB 3.47Å; G304-T308 PolarHBondContact O-N 3Å; G304-T308 PolarHBondContact O-OG1 2.68Å |
| 305 | A | 91.3 | Very high | 87 | Confident | 50 Ų | 50 | 85.6 Ų | 85.6 | 41% | 0.413 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G301 L302 V307 T308 L309 | G301-A305 WeakPolarHBondContact O-CB 3.42Å; G301-A305 PolarHBondContact O-N 3.15Å; L302-A305 PolarHBondContact O-N 3.15Å; A305-V307 PolarHBondContact O-N 3.14Å; A305-T308 PolarHBondContact O-N 3.25Å; A305-L309 WeakPolarHBondContact O-CG 3.07Å; A305-L309 PolarHBondContact O-N 3.07Å |
| 306 | A | 89.4 | Confident | 85.5 | Confident | 55 Ų | 55 | 88.8 Ų | 88.8 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L302 M303 L309 K310 | L302-A306 WeakPolarHBondContact O-CB 3.47Å; L302-A306 PolarHBondContact O-N 3.21Å; M303-A306 PolarHBondContact O-N 3.09Å; A306-L309 PolarHBondContact O-N 3.16Å; A306-K310 WeakPolarHBondContact O-CB 3.29Å; A306-K310 PolarHBondContact O-N 3.47Å |
| 307 | V | 88.1 | Confident | 84.1 | Confident | 83 Ų | 83 | 93 Ų | 93 | 50% | 0.503 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 173.6 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | M303 A305 K310 N311 | M303-V307 WeakPolarHBondContact O-CG2 3.41Å; M303-V307 PolarHBondContact O-N 3.22Å; A305-V307 PolarHBondContact O-N 3.14Å; V307-K310 PolarHBondContact O-N 3.18Å; V307-N311 VanDerWaalsContact O-CG 3.29Å; V307-N311 PolarHBondContact O-N 3.13Å; V307-N311 PolarHBondContact O-ND2 3.39Å |
| 308 | T | 92.2 | Very high | 82.7 | Confident | 77 Ų | 77 | 101.6 Ų | 101.6 | 47% | 0.472 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.5 | -46.3 | 177.3 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | G304 A305 N311 L312 | G304-T308 WeakPolarHBondContact O-CB 3.47Å; G304-T308 PolarHBondContact O-N 3Å; G304-T308 PolarHBondContact O-OG1 2.68Å; A305-T308 PolarHBondContact O-N 3.25Å; T308-N311 PolarHBondContact O-N 3.26Å; T308-L312 HydrophobicContact CG2-CD1 3.99Å; T308-L312 WeakPolarHBondContact O-CG 3.45Å; T308-L312 PolarHBondContact O-N 3.19Å |
| 309 | L | 87.4 | Confident | 80.5 | Confident | 108 Ų | 108 | 112.5 Ų | 112.5 | 57% | 0.565 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.9 | -41.3 | 175.1 | -71.2 | 170.6 | 0 | 0 | 0 | 112.2 | A305 A306 N311 L312 T313 | A305-L309 WeakPolarHBondContact O-CG 3.07Å; A305-L309 PolarHBondContact O-N 3.07Å; A306-L309 PolarHBondContact O-N 3.16Å; L309-N311 VanDerWaalsContact C-N 3.3Å; L309-N311 PolarHBondContact O-N 2.92Å; L309-L312 PolarHBondContact O-N 3.24Å; L309-T313 WeakPolarHBondContact O-CB 3.31Å; L309-T313 WeakPolarHBondContact O-CG2 3.3Å; L309-T313 PolarHBondContact O-N 3.08Å; L309-T313 PolarHBondContact O-OG1 3.32Å |
| 310 | K | 84 | Confident | 80 | Confident | 114 Ų | 114 | 115.5 Ų | 115.5 | 50% | 0.496 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -61.4 | -37.1 | 175.8 | -176.2 | -179.4 | 177.5 | -177.4 | 0 | 112.5 | A306 V307 T313 L315 | A306-K310 WeakPolarHBondContact O-CB 3.29Å; A306-K310 PolarHBondContact O-N 3.47Å; V307-K310 PolarHBondContact O-N 3.18Å; K310-T313 PolarHBondContact O-OG1 2.87Å; K310-L315 HydrophobicContact CG-CB 4.38Å |
| 311 | N | 87.6 | Confident | 79.4 | Confident | 95 Ų | 95 | 114.2 Ų | 114.2 | 51% | 0.508 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -72.2 | -45.3 | 176.2 | -70 | -20.2 | 0 | 0 | 0 | 111.7 | V307 T308 L309 T313 G314 | V307-N311 VanDerWaalsContact O-CG 3.29Å; V307-N311 PolarHBondContact O-N 3.13Å; V307-N311 PolarHBondContact O-ND2 3.39Å; T308-N311 PolarHBondContact O-N 3.26Å; L309-N311 VanDerWaalsContact C-N 3.3Å; L309-N311 PolarHBondContact O-N 2.92Å; N311-T313 VanDerWaalsContact C-N 3.32Å; N311-T313 PolarHBondContact O-N 2.95Å; N311-G314 PolarHBondContact O-N 3.48Å |
| 312 | L | 84.8 | Confident | 78.7 | Confident | 138 Ų | 138 | 118 Ų | 118 | 72% | 0.723 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.3 | -29.7 | 179.1 | -71.6 | 171.3 | 0 | 0 | 0 | 113.6 | T308 L309 G314 | T308-L312 HydrophobicContact CG2-CD1 3.99Å; T308-L312 WeakPolarHBondContact O-CG 3.45Å; T308-L312 PolarHBondContact O-N 3.19Å; L309-L312 PolarHBondContact O-N 3.24Å; L312-G314 VanDerWaalsContact C-N 3.28Å; L312-G314 PolarHBondContact O-N 3.24Å |
| 313 | T | 84.3 | Confident | 77.9 | Confident | 89 Ų | 89 | 118 Ų | 118 | 55% | 0.546 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.8 | 3.6 | 178.9 | 49.8 | 0 | 0 | 0 | 0 | 114.3 | L309 K310 N311 L315 | L309-T313 WeakPolarHBondContact O-CB 3.31Å; L309-T313 WeakPolarHBondContact O-CG2 3.3Å; L309-T313 PolarHBondContact O-N 3.08Å; L309-T313 PolarHBondContact O-OG1 3.32Å; K310-T313 PolarHBondContact O-OG1 2.87Å; N311-T313 VanDerWaalsContact C-N 3.32Å; N311-T313 PolarHBondContact O-N 2.95Å; T313-L315 PolarHBondContact O-N 2.59Å |
| 314 | G | 68.5 | Low | 77.1 | Confident | 43 Ų | 43 | 117 Ų | 117 | 44% | 0.443 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 73.6 | 1.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | N311 L312 N316 Q317 | N311-G314 PolarHBondContact O-N 3.48Å; L312-G314 VanDerWaalsContact C-N 3.28Å; L312-G314 PolarHBondContact O-N 3.24Å; G314-N316 PolarHBondContact O-N 3.35Å; G314-Q317 PolarHBondContact O-N 3.31Å |
| 315 | L | 64.3 | Low | 76.2 | Confident | 135 Ų | 135 | 122.4 Ų | 122.4 | 71% | 0.707 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 17.1 | -178.1 | -70.9 | 171.9 | 0 | 0 | 0 | 115 | K310 T313 | K310-L315 HydrophobicContact CG-CB 4.38Å; T313-L315 PolarHBondContact O-N 2.59Å |
| 316 | N | 57.4 | Low | 75.1 | Confident | 109 Ų | 109 | 127.6 Ų | 127.6 | 58% | 0.583 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.1 | 7.8 | 177.1 | -155.5 | 28.4 | 0 | 0 | 0 | 113.2 | G314 R318 | G314-N316 PolarHBondContact O-N 3.35Å; N316-R318 PolarHBondContact O-N 2.99Å |
| 317 | Q | 58.5 | Low | 74 | Confident | 184 Ų | 184 | 133.2 Ų | 133.2 | 86% | 0.86 | 65% | 0.654 | S | S | * | * | trans | -71.4 | 93.7 | 165.7 | -74 | -170.3 | -15.5 | 0 | 0 | 109.9 | G314 | G314-Q317 PolarHBondContact O-N 3.31Š| ||
| 318 | R | 59.6 | Low | 72.8 | Confident | 240 Ų | 240 | 137.3 Ų | 137.3 | 91% | 0.906 | 67% | 0.667 | S | S | * | * | trans | -64.8 | 139.9 | 161.4 | -75.4 | -172.9 | 175.2 | -174.9 | -1.7 | 109.5 | N316 | N316-R318 PolarHBondContact O-N 2.99Š| ||
| 319 | R | 44.9 | Very low | 71 | Confident | 316 Ų | 316 | 142.8 Ų | 142.8 | 100% | 1.192 | 68% | 0.684 | S | S | * | * | trans | -102.6 | 0 | 166.5 | -161.3 | -176.1 | -164.6 | -171.2 | 6.1 | 109.2 |
Retrieved 319 of 319 residues in 147.3 ms
(Link to these results)