| 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 | 53.8 | Low | 58 | Low | 242 Ų | 242 | 145.6 Ų | 145.6 | 100% | 1.192 | 86% | 0.862 | S | S | * | * | 0 | 103.8 | 0 | -83.3 | 172.5 | 153 | 0 | 0 | 107.8 | |||||
| 2 | F | 49.3 | Very low | 57.4 | Low | 208 Ų | 208 | 148.2 Ų | 148.2 | 91% | 0.912 | 86% | 0.858 | S | S | * | * | trans | -115.9 | 120 | 167.7 | -86.9 | -83.3 | 0 | 0 | 0 | 106.3 | ||||
| 3 | S | 65.9 | Low | 57.1 | Low | 120 Ų | 120 | 145.8 Ų | 145.8 | 84% | 0.839 | 86% | 0.855 | S | S | * | * | trans | -122.4 | 106 | 175.4 | 52.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 4 | F | 61.9 | Low | 56.4 | Low | 205 Ų | 205 | 143.9 Ų | 143.9 | 90% | 0.899 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 127.7 | 164.1 | -95 | -94.8 | 0 | 0 | 0 | 108.7 | ||
| 5 | S | 66.2 | Low | 56.3 | Low | 118 Ų | 118 | 141.3 Ų | 141.3 | 83% | 0.825 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 118.7 | 170.7 | -173.8 | 0 | 0 | 0 | 0 | 109.2 | ||
| 6 | S | 60.4 | Low | 55.9 | Low | 118 Ų | 118 | 143.4 Ų | 143.4 | 83% | 0.825 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 118 | 170.7 | 52.1 | 0 | 0 | 0 | 0 | 110.1 | ||
| 7 | G | 62.4 | Low | 55.7 | Low | 81 Ų | 81 | 141.8 Ų | 141.8 | 84% | 0.835 | 86% | 0.856 | S | S | * | * | trans | -107.4 | 110.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 8 | S | 54 | Low | 55.7 | Low | 121 Ų | 121 | 144.4 Ų | 144.4 | 85% | 0.846 | 86% | 0.858 | S | S | * | * | trans | -90.6 | 131.6 | 168.2 | 168.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 9 | S | 61 | Low | 55.7 | Low | 121 Ų | 121 | 143.6 Ų | 143.6 | 85% | 0.846 | 85% | 0.853 | S | S | * | * | trans | -159.2 | 136.2 | 152.2 | -163.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 10 | S | 51.9 | Low | 55.8 | Low | 88 Ų | 88 | 141.8 Ų | 141.8 | 62% | 0.615 | 85% | 0.848 | S | S | * | * | trans | -105.9 | 167.1 | -169.1 | 40.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 11 | E | 51 | Low | 55.5 | Low | 180 Ų | 180 | 145.3 Ų | 145.3 | 84% | 0.841 | 85% | 0.852 | S | S | * | * | trans | 73.7 | 142.4 | 162.4 | -41.2 | -170.8 | 160.5 | 0 | 0 | 115.3 | ||||
| 12 | E | 51 | Low | 55.5 | Low | 176 Ų | 176 | 137.7 Ų | 137.7 | 82% | 0.822 | 84% | 0.836 | S | S | * | * | cis | -147 | 161 | 14.1 | -62.6 | 174.5 | 94.7 | 0 | 0 | 107.1 | ||||
| 13 | S | 52.8 | Low | 55.5 | Low | 117 Ų | 117 | 137.8 Ų | 137.8 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | 156 | 160.2 | 78.7 | 49.5 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 14 | S | 48.1 | Very low | 54.9 | Low | 120 Ų | 120 | 141.9 Ų | 141.9 | 84% | 0.839 | 84% | 0.839 | S | S | * | * | trans | -84.8 | 150.3 | -163.7 | 47.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 15 | A | 54 | Low | 54.4 | Low | 105 Ų | 105 | 143.7 Ų | 143.7 | 87% | 0.868 | 84% | 0.839 | S | S | * | * | trans | -165.3 | 121.5 | 145.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 16 | L | 49.9 | Very low | 53.4 | Low | 175 Ų | 175 | 146.6 Ų | 146.6 | 92% | 0.916 | 84% | 0.837 | S | S | * | * | trans | -72.3 | 143 | 174.3 | -72.5 | 143.1 | 0 | 0 | 0 | 112.1 | ||||
| 17 | S | 53.9 | Low | 53 | Low | 116 Ų | 116 | 146.6 Ų | 146.6 | 81% | 0.811 | 84% | 0.837 | S | S | * | * | trans | -152 | 113.9 | 138.7 | 63.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 18 | Q | 55.2 | Low | 52.3 | Low | 189 Ų | 189 | 150.2 Ų | 150.2 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | trans | -90.5 | 127.2 | 162.4 | -74.1 | -162.1 | -15.8 | 0 | 0 | 108.4 | ||||
| 19 | V | 56.5 | Low | 52.1 | Low | 128 Ų | 128 | 156.5 Ų | 156.5 | 78% | 0.776 | 84% | 0.838 | S | S | * | * | trans | -130.5 | 104.9 | 164.6 | 178.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 20 | S | 56.4 | Low | 51.4 | Low | 107 Ų | 107 | 160.5 Ų | 160.5 | 75% | 0.748 | 84% | 0.84 | S | S | * | * | trans | 30.8 | 128 | 145.7 | 58.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 21 | K | 50.2 | Low | 51.4 | Low | 216 Ų | 216 | 165.6 Ų | 165.6 | 94% | 0.939 | 85% | 0.851 | S | S | * | * | trans | -54.3 | 136.3 | 163.4 | -67.8 | 166.1 | 175.5 | 164.6 | 0 | 113.1 | ||||
| 22 | G | 53.3 | Low | 51.3 | Low | 82 Ų | 82 | 162 Ų | 162 | 85% | 0.845 | 85% | 0.846 | S | S | * | * | trans | -134.3 | 94.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 23 | K | 49.5 | Very low | 51.2 | Low | 211 Ų | 211 | 158.4 Ų | 158.4 | 92% | 0.917 | 84% | 0.84 | S | S | * | * | trans | -88.8 | 120.4 | 165.8 | -88 | -178.5 | 175 | 176.6 | 0 | 108.8 | ||||
| 24 | K | 54 | Low | 51.1 | Low | 206 Ų | 206 | 161 Ų | 161 | 90% | 0.896 | 84% | 0.839 | S | S | * | * | trans | -145.3 | 100.7 | 159.2 | -125.8 | 176.5 | -175.3 | 174.8 | 0 | 113.2 | ||||
| 25 | R | 51.1 | Low | 51.3 | Low | 242 Ų | 242 | 164.1 Ų | 164.1 | 91% | 0.913 | 84% | 0.837 | S | S | * | * | trans | 20.1 | 118.4 | 142.5 | -62.4 | -176.8 | 167.9 | 179 | -4.3 | 120.8 | ||||
| 26 | K | 45.8 | Very low | 51.2 | Low | 179 Ų | 179 | 165.7 Ų | 165.7 | 78% | 0.778 | 84% | 0.836 | S | S | * | * | trans | -9.9 | 128.2 | 140.2 | -160.4 | 177 | -173.5 | -177.6 | 0 | 117.6 | E28 | K26-E28 WeakPolarHBondContact CE-OE1 3.41Å; K26-E28 IonicContact NZ-OE1 2.73Å | ||
| 27 | S | 51.5 | Low | 51.2 | Low | 119 Ų | 119 | 164.5 Ų | 164.5 | 83% | 0.832 | 83% | 0.831 | S | S | * | * | trans | -147.4 | 122.8 | 143.6 | 66.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 28 | E | 46.9 | Very low | 51.2 | Low | 156 Ų | 156 | 169.1 Ų | 169.1 | 73% | 0.729 | 84% | 0.836 | S | S | * | * | trans | -79.7 | 133 | 170.5 | -72.1 | 165 | -168.6 | 0 | 0 | 109.1 | K26 | K26-E28 WeakPolarHBondContact CE-OE1 3.41Å; K26-E28 IonicContact NZ-OE1 2.73Å | ||
| 29 | R | 50.5 | Low | 51 | Low | 254 Ų | 254 | 164.7 Ų | 164.7 | 96% | 0.958 | 83% | 0.826 | S | S | * | * | trans | -140.5 | 109.1 | 157.8 | -92 | -174 | 174.2 | 167.8 | -1.7 | 110 | ||||
| 30 | K | 46.6 | Very low | 50.9 | Low | 205 Ų | 205 | 167.8 Ų | 167.8 | 89% | 0.891 | 83% | 0.829 | S | S | * | * | trans | -79.7 | 142.4 | 159.6 | -68.2 | -173.3 | 175.4 | -179.4 | 0 | 109.7 | ||||
| 31 | K | 51.9 | Low | 50.5 | Low | 195 Ų | 195 | 171.7 Ų | 171.7 | 85% | 0.848 | 83% | 0.833 | S | S | * | * | trans | 176.2 | 105 | 149.4 | -98.6 | 168.3 | -177.3 | -172.7 | 0 | 107.8 | ||||
| 32 | S | 48.8 | Very low | 50.5 | Low | 104 Ų | 104 | 171.6 Ų | 171.6 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | 58.6 | 131.7 | 96.4 | 67.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 33 | S | 49.3 | Very low | 50.3 | Low | 101 Ų | 101 | 176.6 Ų | 176.6 | 71% | 0.706 | 83% | 0.825 | S | S | * | * | cis | 178.3 | 174.4 | 19.4 | 47.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 34 | H | 49.4 | Very low | 50 | Low | 170 Ų | 170 | 172 Ų | 172 | 79% | 0.787 | 81% | 0.811 | S | S | * | * | trans | 98.6 | 98.5 | 170.4 | -79.2 | 41.6 | 0 | 0 | 0 | 115.7 | ||||
| 35 | K | 52.3 | Low | 49.9 | Very low | 187 Ų | 187 | 169.5 Ų | 169.5 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | 59.1 | 120 | 77.7 | -70.2 | -167.5 | 175.7 | -176.2 | 0 | 111.2 | |||||
| 36 | T | 53.3 | Low | 49.4 | Very low | 137 Ų | 137 | 163 Ų | 163 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | -158 | 163.1 | 68.8 | 42.3 | 0 | 0 | 0 | 0 | 115 | |||||
| 37 | D | 49.7 | Very low | 49.4 | Very low | 151 Ų | 151 | 162.8 Ų | 162.8 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | trans | -68.5 | 149.3 | -166.3 | -54.1 | -81.2 | 0 | 0 | 0 | 118.4 | ||||
| 38 | K | 54.2 | Low | 48.9 | Very low | 212 Ų | 212 | 162.4 Ų | 162.4 | 92% | 0.922 | 79% | 0.792 | S | S | * | * | -158.7 | 127.2 | 127.4 | -144.8 | 154.5 | -176 | 165.7 | 0 | 113.9 | |||||
| 39 | S | 49.8 | Very low | 48.7 | Very low | 96 Ų | 96 | 163.7 Ų | 163.7 | 67% | 0.671 | 80% | 0.798 | S | S | * | * | trans | -79.9 | 153.5 | -171.7 | 55.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 40 | K | 53.9 | Low | 48.2 | Very low | 194 Ų | 194 | 160 Ų | 160 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | 165.3 | 105.1 | 124.7 | -86.7 | 165.1 | -174.3 | -175.1 | 0 | 110 | |||||
| 41 | K | 48.5 | Very low | 47.9 | Very low | 188 Ų | 188 | 159.2 Ų | 159.2 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | 67.9 | 116.4 | 94 | -143.9 | 179.8 | 179.8 | 168.3 | 0 | 111.9 | |||||
| 42 | R | 50 | Low | 47 | Very low | 215 Ų | 215 | 154.3 Ų | 154.3 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | -163.4 | 135.1 | 55.1 | -71.4 | 173.5 | 169.5 | -164.5 | -5.7 | 108.5 | |||||
| 43 | K | 49 | Very low | 46.4 | Very low | 186 Ų | 186 | 156.2 Ų | 156.2 | 81% | 0.809 | 79% | 0.794 | S | S | * | * | 47.5 | 126.2 | 89.1 | -82.2 | -165.2 | 174 | -168 | 0 | 113.4 | |||||
| 44 | D | 44.6 | Very low | 45.8 | Very low | 116 Ų | 116 | 159.4 Ų | 159.4 | 62% | 0.62 | 80% | 0.798 | S | S | * | * | cis | -164.3 | 156.3 | 30.4 | -99.1 | -31.9 | 0 | 0 | 0 | 111.3 | ||||
| 45 | L | 51.2 | Low | 45.3 | Very low | 152 Ų | 152 | 159.4 Ų | 159.4 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | trans | 46.3 | 145.7 | 136.3 | -57.8 | 157.6 | 0 | 0 | 0 | 120.5 | ||||
| 46 | S | 41.1 | Very low | 44.4 | Very low | 105 Ų | 105 | 158.8 Ų | 158.8 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | cis | -174.1 | 166.3 | -8.6 | 46.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 47 | Q | 45.5 | Very low | 43.6 | Very low | 176 Ų | 176 | 157.9 Ų | 157.9 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -42 | 152.1 | 165.5 | -60.9 | 164.1 | -4.5 | 0 | 0 | 111.5 | ||||
| 48 | T | 40.8 | Very low | 42.7 | Very low | 110 Ų | 110 | 158.5 Ų | 158.5 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | 179.8 | 150.7 | 65.6 | -44.4 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 49 | E | 41.7 | Very low | 41.8 | Very low | 184 Ų | 184 | 151.7 Ų | 151.7 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | 71.6 | 154.9 | 145.6 | -83.4 | 167 | -156.6 | 0 | 0 | 125 | ||||
| 50 | E | 40.8 | Very low | 41.2 | Very low | 175 Ų | 175 | 155.8 Ų | 155.8 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -82.5 | 172.9 | -165.7 | -57.8 | 174.2 | 151.5 | 0 | 0 | 113.6 | ||||
| 51 | Q | 39.7 | Very low | 40.4 | Very low | 189 Ų | 189 | 152.5 Ų | 152.5 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | 105.9 | 136.3 | 159.9 | -58.5 | -174.1 | -8.5 | 0 | 0 | 117.8 | ||||
| 52 | A | 33.8 | Very low | 39.9 | Very low | 93 Ų | 93 | 148.6 Ų | 148.6 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -61.2 | 155.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 53 | V | 36.9 | Very low | 39.7 | Very low | 144 Ų | 144 | 145.9 Ų | 145.9 | 87% | 0.873 | 79% | 0.789 | S | S | * | * | -177.7 | 135.7 | 128.6 | 152.3 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 54 | E | 36.1 | Very low | 39.3 | Very low | 168 Ų | 168 | 144 Ų | 144 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -69.3 | 129 | 171.5 | -174 | 177 | -149.7 | 0 | 0 | 110.8 | ||||
| 55 | Q | 37.7 | Very low | 39.4 | Very low | 169 Ų | 169 | 141.3 Ų | 141.3 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | 158.6 | 113.9 | 139.1 | -90.4 | 175.7 | 11.3 | 0 | 0 | 113 | ||||
| 56 | Q | 35.1 | Very low | 39.3 | Very low | 175 Ų | 175 | 142.4 Ų | 142.4 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | 65.2 | 127.3 | 122.8 | -95.5 | -170.2 | 5.1 | 0 | 0 | 122.8 | |||||
| 57 | V | 34.8 | Very low | 39.9 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 72% | 0.715 | 79% | 0.787 | S | S | * | * | trans | 85.1 | 120.5 | 145.3 | -123.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 58 | N | 32.4 | Very low | 40.8 | Very low | 163 Ų | 163 | 139.8 Ų | 139.8 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | trans | 103.3 | 125.1 | 133.2 | -105.7 | 10.4 | 0 | 0 | 0 | 120.6 | ||||
| 59 | G | 34.8 | Very low | 42.3 | Very low | 70 Ų | 70 | 145.6 Ų | 145.6 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | 158.4 | 65.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 60 | Q | 36 | Very low | 43.9 | Very low | 182 Ų | 182 | 142.5 Ų | 142.5 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | 70.2 | 96.4 | 100.3 | -166.1 | 174.5 | 26.3 | 0 | 0 | 113.8 | |||||
| 61 | S | 37.5 | Very low | 45.2 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -146.3 | 109.2 | 147.1 | -171 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 62 | T | 38.7 | Very low | 46.7 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | trans | -71.3 | 127.8 | 174.8 | -23.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 63 | D | 46.2 | Very low | 48.6 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | trans | -149.5 | 91.3 | 156.8 | -165.2 | 44.5 | 0 | 0 | 0 | 107.4 | G65 | D63-G65 VanDerWaalsContact C-N 3.35Å; D63-G65 PolarHBondContact O-N 3.3Å | ||
| 64 | D | 40.1 | Very low | 49.8 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | trans | -69 | 88.1 | 172.9 | -78.5 | -63.9 | 0 | 0 | 0 | 109.2 | E66 | D64-E66 PolarHBondContact O-N 3.16Š| ||
| 65 | G | 47.6 | Very low | 50.8 | Low | 60 Ų | 60 | 138.8 Ų | 138.8 | 62% | 0.619 | 76% | 0.755 | S | S | * | * | trans | -91.5 | 80.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | D63 V67 | D63-G65 VanDerWaalsContact C-N 3.35Å; D63-G65 PolarHBondContact O-N 3.3Å; G65-V67 PolarHBondContact O-N 3.02Å | ||
| 66 | E | 47.1 | Very low | 51.7 | Low | 174 Ų | 174 | 134.6 Ų | 134.6 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | trans | -56.9 | 110 | 167 | -80.2 | -173.7 | 161.9 | 0 | 0 | 109.7 | D64 V68 | D64-E66 PolarHBondContact O-N 3.16Å; E66-V68 PolarHBondContact O-N 3.32Å; E66-V68 VanDerWaalsContact O-N 3.09Å | ||
| 67 | V | 55.2 | Low | 52.5 | Low | 115 Ų | 115 | 132.3 Ų | 132.3 | 70% | 0.697 | 74% | 0.737 | S | S | * | * | trans | -76.2 | 94.4 | 171.3 | -178.9 | 0 | 0 | 0 | 0 | 107.8 | G65 W69 | G65-V67 PolarHBondContact O-N 3.02Å; V67-W69 PolarHBondContact O-N 3.12Å | ||
| 68 | V | 64 | Low | 53.1 | Low | 111 Ų | 111 | 131.9 Ų | 131.9 | 67% | 0.673 | 74% | 0.735 | S | S | * | * | trans | -74.7 | 112.6 | 171.9 | 178.6 | 0 | 0 | 0 | 0 | 109 | E66 V70 | E66-V68 PolarHBondContact O-N 3.32Å; E66-V68 VanDerWaalsContact O-N 3.09Å; V68-V70 HydrophobicContact CG1-CG2 4.14Å | ||
| 69 | W | 72.5 | Confident | 54 | Low | 233 Ų | 233 | 130.5 Ų | 130.5 | 88% | 0.883 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 118.2 | 169.6 | -70.1 | 92.6 | 0 | 0 | 0 | 109.3 | V67 | V67-W69 PolarHBondContact O-N 3.12Š|
| 70 | V | 74.7 | Confident | 54.4 | Low | 118 Ų | 118 | 133 Ų | 133 | 72% | 0.715 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -103 | 128.6 | 171.4 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | V68 V72 | V68-V70 HydrophobicContact CG1-CG2 4.14Å; V70-V72 PolarHBondContact O-N 2.99Å |
| 71 | E | 68.9 | Low | 54.5 | Low | 180 Ų | 180 | 129.8 Ų | 129.8 | 84% | 0.841 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 124.4 | 175.2 | -70.8 | -175.7 | 160.3 | 0 | 0 | 110.5 | T73 | E71-T73 PolarHBondContact O-N 2.93Š|
| 72 | V | 69.9 | Low | 54.7 | Low | 103 Ų | 103 | 132 Ų | 132 | 62% | 0.624 | 72% | 0.719 | S | S | * | * | trans | -88.1 | 103.5 | 177.3 | -173.7 | 0 | 0 | 0 | 0 | 108.5 | V70 L77 | V70-V72 PolarHBondContact O-N 2.99Å; V72-L77 HydrophobicContact CG1-CD1 3.16Å | ||
| 73 | T | 73.9 | Confident | 54.7 | Low | 88 Ų | 88 | 133.4 Ų | 133.4 | 54% | 0.54 | 73% | 0.728 | S | S | . | * | trans | -75.5 | 152.5 | 170.5 | 54.3 | 0 | 0 | 0 | 0 | 110.4 | E71 D75 S76 | E71-T73 PolarHBondContact O-N 2.93Å; T73-D75 PolarHBondContact O-N 3.26Å; T73-S76 WeakPolarHBondContact O-CB 3.47Å; T73-S76 PolarHBondContact O-N 2.91Å | ||
| 74 | K | 63.3 | Low | 54.4 | Low | 184 Ų | 184 | 131 Ų | 131 | 80% | 0.8 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -55.7 | -21.4 | -176.6 | -161.1 | 175.9 | -178.9 | 180 | 0 | 113.4 | ||
| 75 | D | 56.7 | Low | 54.8 | Low | 137 Ų | 137 | 130.3 Ų | 130.3 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -83.2 | -14.4 | 178.9 | -56.5 | -19 | 0 | 0 | 0 | 113 | T73 L77 T78 | T73-D75 PolarHBondContact O-N 3.26Å; D75-L77 VanDerWaalsContact C-N 3.34Å; D75-T78 PolarHBondContact O-OG1 3.27Å |
| 76 | S | 56 | Low | 55.3 | Low | 81 Ų | 81 | 137.2 Ų | 137.2 | 57% | 0.566 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -84.6 | -8 | 171.8 | -178.1 | 0 | 0 | 0 | 0 | 113.1 | T73 | T73-S76 WeakPolarHBondContact O-CB 3.47Å; T73-S76 PolarHBondContact O-N 2.91Å |
| 77 | L | 52.2 | Low | 55.7 | Low | 126 Ų | 126 | 138.2 Ų | 138.2 | 66% | 0.66 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -91.3 | -6.4 | 179.2 | -99.3 | 75.2 | 0 | 0 | 0 | 113.6 | V72 D75 I79 | V72-L77 HydrophobicContact CG1-CD1 3.16Å; D75-L77 VanDerWaalsContact C-N 3.34Å; L77-I79 VanDerWaalsContact C-N 3.25Å; L77-I79 PolarHBondContact O-N 3.49Å; L77-I79 VanDerWaalsContact O-N 3.1Å |
| 78 | T | 46.8 | Very low | 56 | Low | 110 Ų | 110 | 135.9 Ų | 135.9 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | trans | -87.2 | 69.7 | 173.5 | 58 | 0 | 0 | 0 | 0 | 109.6 | D75 | D75-T78 PolarHBondContact O-OG1 3.27Š| ||
| 79 | I | 51 | Low | 56.2 | Low | 134 Ų | 134 | 136.9 Ų | 136.9 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | trans | -64.1 | 125.2 | 154.8 | -60.1 | 170.3 | 0 | 0 | 0 | 104.9 | L77 T81 | L77-I79 VanDerWaalsContact C-N 3.25Å; L77-I79 PolarHBondContact O-N 3.49Å; L77-I79 VanDerWaalsContact O-N 3.1Å; I79-T81 VanDerWaalsContact C-N 3.26Å; I79-T81 PolarHBondContact O-N 3Å | ||
| 80 | P | 44 | Very low | 56 | Low | 121 Ų | 121 | 134.2 Ų | 134.2 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | trans | -65.2 | 94.4 | 173.8 | 26.4 | -29.8 | 0 | 0 | 0 | 107.5 | ||||
| 81 | T | 38.8 | Very low | 56.1 | Low | 116 Ų | 116 | 130.9 Ų | 130.9 | 71% | 0.712 | 73% | 0.731 | S | S | * | * | trans | -69.5 | 132.6 | 156.4 | 43.5 | 0 | 0 | 0 | 0 | 106.8 | I79 | I79-T81 VanDerWaalsContact C-N 3.26Å; I79-T81 PolarHBondContact O-N 3Å | ||
| 82 | E | 40.4 | Very low | 56.8 | Low | 170 Ų | 170 | 128.7 Ų | 128.7 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 95.8 | 124.5 | 163.8 | -41.7 | -154.4 | 167.9 | 0 | 0 | 115.2 | ||
| 83 | T | 38.9 | Very low | 57.3 | Low | 137 Ų | 137 | 129.4 Ų | 129.4 | 84% | 0.84 | 73% | 0.73 | S | S | * | * | trans | 83.3 | 68.5 | 163.6 | 80.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 84 | S | 40.2 | Very low | 57.5 | Low | 105 Ų | 105 | 130.4 Ų | 130.4 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | trans | 174.2 | 120.7 | 155.7 | -124.5 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 85 | D | 48.9 | Very low | 58 | Low | 134 Ų | 134 | 127.5 Ų | 127.5 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | cis | -156.4 | 99.2 | 28.6 | -61.5 | -55.4 | 0 | 0 | 0 | 107.7 | ||||
| 86 | E | 58 | Low | 58.5 | Low | 204 Ų | 204 | 128.9 Ų | 128.9 | 95% | 0.953 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -97 | 6.5 | 170.8 | -71.2 | -166.9 | 155.9 | 0 | 0 | 112.5 | ||
| 87 | E | 55.6 | Low | 58.6 | Low | 196 Ų | 196 | 129.6 Ų | 129.6 | 92% | 0.916 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -117.6 | 80.5 | 179.7 | -60.7 | -163.3 | 175.3 | 0 | 0 | 110.7 | ||
| 88 | G | 62.4 | Low | 58.6 | Low | 66 Ų | 66 | 126.7 Ų | 126.7 | 68% | 0.68 | 72% | 0.722 | S | S | * | * | trans | 163.7 | -9.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | I90 | G88-I90 PolarHBondContact O-N 3.49Š| ||
| 89 | I | 67.8 | Low | 58.6 | Low | 132 Ų | 132 | 127 Ų | 127 | 68% | 0.677 | 72% | 0.719 | S | S | * | * | trans | -77.4 | 97 | 173.4 | -96.7 | 72.1 | 0 | 0 | 0 | 109 | M93 | I89-M93 HydrophobicContact CG2-CG 4.03Š| ||
| 90 | I | 68.6 | Low | 58.6 | Low | 176 Ų | 176 | 126.4 Ų | 126.4 | 90% | 0.903 | 72% | 0.717 | S | S | * | * | trans | -104.8 | 110.4 | 166.8 | -106.4 | 156.4 | 0 | 0 | 0 | 108.2 | G88 | G88-I90 PolarHBondContact O-N 3.49Š| ||
| 91 | G | 76.3 | Confident | 59.1 | Low | 49 Ų | 49 | 126.1 Ų | 126.1 | 51% | 0.505 | 71% | 0.709 | S | S | . | * | S | Bend | trans | 143 | 154.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | M93 | G91-M93 PolarHBondContact O-N 3.38Å; G91-M93 VanDerWaalsContact O-N 3.17Å |
| 92 | P | 83.9 | Confident | 59.6 | Low | 134 Ų | 134 | 122.4 Ų | 122.4 | 87% | 0.87 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 121 | 176.7 | 26.5 | -32.7 | 0 | 0 | 0 | 109.5 | ||
| 93 | M | 79.3 | Confident | 60 | Low | 117 Ų | 117 | 119.8 Ų | 119.8 | 58% | 0.576 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 138.9 | 171.6 | -65.6 | -175.8 | 80.3 | 0 | 0 | 109.2 | I89 G91 N95 | I89-M93 HydrophobicContact CG2-CG 4.03Å; G91-M93 PolarHBondContact O-N 3.38Å; G91-M93 VanDerWaalsContact O-N 3.17Å; M93-N95 PolarHBondContact O-N 3.39Å |
| 94 | P | 77.8 | Confident | 60.9 | Low | 109 Ų | 109 | 117.9 Ų | 117.9 | 71% | 0.708 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 133.5 | 174.8 | 24 | -32.3 | 0 | 0 | 0 | 109.5 | K96 | P94-K96 PolarHBondContact O-N 2.76Š|
| 95 | N | 74.3 | Confident | 62.2 | Low | 123 Ų | 123 | 122.8 Ų | 122.8 | 66% | 0.658 | 67% | 0.668 | S | S | * | * | trans | -53.1 | 110.5 | 177.2 | -83.8 | -13.2 | 0 | 0 | 0 | 109.6 | M93 T97 S98 | M93-N95 PolarHBondContact O-N 3.39Å; N95-T97 PolarHBondContact O-N 2.91Å; N95-S98 PolarHBondContact O-N 3.42Å; N95-S98 PolarHBondContact O-OG 3.06Å | ||
| 96 | K | 67.3 | Low | 63.4 | Low | 167 Ų | 167 | 117.8 Ų | 117.8 | 73% | 0.726 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -15 | 177.1 | -64 | -177.8 | -178.8 | 179.4 | 0 | 112.5 | P94 | P94-K96 PolarHBondContact O-N 2.76Š|
| 97 | T | 59.2 | Low | 64.7 | Low | 96 Ų | 96 | 115.1 Ų | 115.1 | 59% | 0.589 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -70.6 | -29 | 174.7 | 57.8 | 0 | 0 | 0 | 0 | 113.1 | N95 N99 | N95-T97 PolarHBondContact O-N 2.91Å; T97-N99 VanDerWaalsContact C-N 3.34Å; T97-N99 PolarHBondContact O-N 3.2Å |
| 98 | S | 52 | Low | 66 | Low | 65 Ų | 65 | 107.3 Ų | 107.3 | 46% | 0.455 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69.7 | -26.6 | -175.8 | 62.4 | 0 | 0 | 0 | 0 | 114.3 | N95 A102 | N95-S98 PolarHBondContact O-N 3.42Å; N95-S98 PolarHBondContact O-OG 3.06Å; S98-A102 WeakPolarHBondContact O-CB 3.43Å; S98-A102 PolarHBondContact O-N 3.42Å; S98-A102 VanDerWaalsContact O-N 3.15Å |
| 99 | N | 46.7 | Very low | 67 | Low | 115 Ų | 115 | 106.4 Ų | 106.4 | 62% | 0.615 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -83.5 | -23.2 | -177.5 | -100.6 | -28.2 | 0 | 0 | 0 | 113.9 | T97 D101 T103 | T97-N99 VanDerWaalsContact C-N 3.34Å; T97-N99 PolarHBondContact O-N 3.2Å; N99-D101 VanDerWaalsContact C-N 3.3Å; N99-T103 WeakPolarHBondContact O-CG2 3.47Å; N99-T103 PolarHBondContact O-N 3.48Å; N99-T103 PolarHBondContact O-OG1 3.39Å |
| 100 | L | 50.7 | Low | 67.8 | Low | 123 Ų | 123 | 111.8 Ų | 111.8 | 64% | 0.644 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -71.8 | -30 | 173.1 | -62.5 | 174.1 | 0 | 0 | 0 | 111.3 | T103 | L100-T103 PolarHBondContact O-OG1 3.04Å |
| 101 | D | 54 | Low | 68.6 | Low | 114 Ų | 114 | 108.5 Ų | 108.5 | 61% | 0.61 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -81.2 | -36.2 | 175.5 | -67.6 | -32.8 | 0 | 0 | 0 | 112.1 | N99 T103 K104 | N99-D101 VanDerWaalsContact C-N 3.3Å; D101-T103 VanDerWaalsContact C-N 3.33Å; D101-T103 PolarHBondContact O-N 2.89Å; D101-K104 CarbonylContact O-C 3.56Å; D101-K104 PolarHBondContact O-N 3.38Å; D101-K104 VanDerWaalsContact O-N 3.16Å |
| 102 | A | 48.7 | Very low | 69.1 | Low | 39 Ų | 39 | 107.1 Ų | 107.1 | 32% | 0.322 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.6 | -29.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S98 K104 R105 | S98-A102 WeakPolarHBondContact O-CB 3.43Å; S98-A102 PolarHBondContact O-N 3.42Å; S98-A102 VanDerWaalsContact O-N 3.15Å; A102-K104 VanDerWaalsContact C-N 3.28Å; A102-R105 WeakPolarHBondContact O-CG 3.49Å |
| 103 | T | 49 | Very low | 69.2 | Low | 115 Ų | 115 | 106.9 Ų | 106.9 | 71% | 0.706 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -7.4 | 175 | 51.9 | 0 | 0 | 0 | 0 | 113.3 | N99 L100 D101 | N99-T103 WeakPolarHBondContact O-CG2 3.47Å; N99-T103 PolarHBondContact O-N 3.48Å; N99-T103 PolarHBondContact O-OG1 3.39Å; L100-T103 PolarHBondContact O-OG1 3.04Å; D101-T103 VanDerWaalsContact C-N 3.33Å; D101-T103 PolarHBondContact O-N 2.89Å |
| 104 | K | 58.7 | Low | 69.5 | Low | 97 Ų | 97 | 107.3 Ų | 107.3 | 42% | 0.422 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -117.3 | 42.6 | 170.4 | -61.1 | -178.3 | -175 | -179.7 | 0 | 110.8 | D101 A102 V106 M183 | D101-K104 CarbonylContact O-C 3.56Å; D101-K104 PolarHBondContact O-N 3.38Å; D101-K104 VanDerWaalsContact O-N 3.16Å; A102-K104 VanDerWaalsContact C-N 3.28Å; K104-V106 VanDerWaalsContact C-N 3.27Å; K104-V106 WeakPolarHBondContact O-CG2 3.38Å; K104-V106 PolarHBondContact O-N 2.86Å; K104-M183 HydrophobicContact CD-CE 3.93Å; K104-M183 HydrophobicContact CG-CE 4.29Å |
| 105 | R | 67.1 | Low | 69.9 | Low | 207 Ų | 207 | 104.8 Ų | 104.8 | 78% | 0.781 | 56% | 0.561 | S | S | * | * | trans | -57.5 | 99.6 | 163.5 | -75.8 | -179.7 | -166.6 | -122.3 | 3.6 | 107.3 | A102 D107 | A102-R105 WeakPolarHBondContact O-CG 3.49Å; R105-D107 PolarHBondContact O-N 2.98Å | ||
| 106 | V | 75.1 | Confident | 70.5 | Confident | 29 Ų | 29 | 101.2 Ų | 101.2 | 18% | 0.176 | 54% | 0.54 | C | S | . | . | trans | -70.9 | 119.8 | 177.9 | -178.1 | 0 | 0 | 0 | 0 | 106.4 | K104 Y108 A175 R179 | K104-V106 VanDerWaalsContact C-N 3.27Å; K104-V106 WeakPolarHBondContact O-CG2 3.38Å; K104-V106 PolarHBondContact O-N 2.86Å; V106-Y108 VanDerWaalsContact C-N 3.29Å; V106-Y108 HydrophobicContact CB-CD2 4.32Å; V106-Y108 HydrophobicContact CB-CE1 3.98Å; V106-Y108 HydrophobicContact CB-CE2 3.76Å; V106-Y108 HydrophobicContact CG1-CD1 3.95Å; V106-Y108 HydrophobicContact CG1-CE1 3.56Å; V106-Y108 HydrophobicContact CG1-CE2 4.21Å; V106-Y108 HydrophobicContact CG1-CG 4.4Å; V106-Y108 WeakPolarHBondContact O-CD2 3.28Å; V106-Y108 WeakPolarHBondContact O-CE2 3.35Å; V106-Y108 PolarHBondContact O-N 3.47Å; V106-A175 HydrophobicContact CG1-CB 4.17Å; V106-R179 VanDerWaalsContact CG2-CD 3.48Å; V106-R179 HydrophobicContact CG2-CG 4.36Å; V106-R179 VanDerWaalsContact CG2-NE 3.33Å | ||
| 107 | D | 83.6 | Confident | 71.5 | Confident | 148 Ų | 148 | 93.4 Ų | 93.4 | 79% | 0.791 | 51% | 0.507 | S | S | * | . | trans | -73.4 | 88 | 175.1 | -72.3 | -30.6 | 0 | 0 | 0 | 109.2 | R105 G109 | R105-D107 PolarHBondContact O-N 2.98Å; D107-G109 PolarHBondContact O-N 3.28Å | ||
| 108 | Y | 84.2 | Confident | 72.9 | Confident | 33 Ų | 33 | 91.7 Ų | 91.7 | 13% | 0.129 | 50% | 0.502 | C | S | . | . | trans | -71.1 | 16.1 | 174.7 | -59.7 | -72.3 | 0 | 0 | 0 | 113.2 | V106 A118 A121 Q171 I172 A175 | V106-Y108 VanDerWaalsContact C-N 3.29Å; V106-Y108 HydrophobicContact CB-CD2 4.32Å; V106-Y108 HydrophobicContact CB-CE1 3.98Å; V106-Y108 HydrophobicContact CB-CE2 3.76Å; V106-Y108 HydrophobicContact CG1-CD1 3.95Å; V106-Y108 HydrophobicContact CG1-CE1 3.56Å; V106-Y108 HydrophobicContact CG1-CE2 4.21Å; V106-Y108 HydrophobicContact CG1-CG 4.4Å; V106-Y108 WeakPolarHBondContact O-CD2 3.28Å; V106-Y108 WeakPolarHBondContact O-CE2 3.35Å; V106-Y108 PolarHBondContact O-N 3.47Å; Y108-A118 HydrophobicContact CE2-CB 4.4Å; Y108-A121 HydrophobicContact CE1-CB 3.89Å; Y108-A121 HydrophobicContact CE2-CB 4.33Å; Y108-A121 WeakPolarHBondContact OH-CB 3.3Å; Y108-Q171 WeakPolarHBondContact O-CG 3.5Å; Y108-Q171 PolarHBondContact O-NE2 3.03Å; Y108-I172 HydrophobicContact CD1-CB 4.38Å; Y108-I172 HydrophobicContact CD1-CG1 4.25Å; Y108-I172 HydrophobicContact CD1-CG2 4.01Å; Y108-I172 HydrophobicContact CE1-CG2 3.88Å; Y108-A175 HydrophobicContact CD1-CB 3.72Å; Y108-A175 HydrophobicContact CE1-CB 4.24Å | ||
| 109 | G | 83.1 | Confident | 74.6 | Confident | 46 Ų | 46 | 91.1 Ų | 91.1 | 47% | 0.474 | 50% | 0.502 | S | S | . | . | trans | 76.8 | 171.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | D107 N111 | D107-G109 PolarHBondContact O-N 3.28Å; G109-N111 PolarHBondContact O-N 3.34Å | ||
| 110 | R | 84.7 | Confident | 76.5 | Confident | 246 Ų | 246 | 87.2 Ų | 87.2 | 93% | 0.928 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -4.5 | -171.5 | -76 | 111.5 | 176.4 | -170.1 | 0.2 | 115.5 | L112 | R110-L112 VanDerWaalsContact C-N 3.34Š|
| 111 | N | 85.6 | Confident | 78.3 | Confident | 106 Ų | 106 | 81.9 Ų | 81.9 | 57% | 0.567 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -3.1 | -173.5 | -58.3 | 40.6 | 0 | 0 | 0 | 113.7 | G109 | G109-N111 PolarHBondContact O-N 3.34Š|
| 112 | L | 86.5 | Confident | 80 | Confident | 20 Ų | 20 | 78.7 Ų | 78.7 | 11% | 0.105 | 44% | 0.443 | C | S | . | . | S | Bend | trans | -106.4 | 148.4 | 176.3 | -63.5 | 174.4 | 0 | 0 | 0 | 109.7 | R110 E116 K168 I172 | R110-L112 VanDerWaalsContact C-N 3.34Å; L112-E116 HydrophobicContact CB-CB 4.3Å; L112-E116 HydrophobicContact CD2-CG 4.27Å; L112-K168 HydrophobicContact CD2-CB 3.96Å; L112-K168 HydrophobicContact CD2-CD 3.87Å; L112-K168 HydrophobicContact CD2-CG 3.78Å; L112-I172 HydrophobicContact CD1-CD1 4.09Å; L112-I172 HydrophobicContact CD1-CG1 3.8Å |
| 113 | L | 86 | Confident | 81.9 | Confident | 130 Ų | 130 | 81.3 Ų | 81.3 | 68% | 0.681 | 45% | 0.446 | S | S | * | . | trans | -66.4 | 148.6 | 173.1 | -157.5 | 63.5 | 0 | 0 | 0 | 109.4 | G115 E116 | L113-G115 PolarHBondContact O-N 3.44Å; L113-G115 VanDerWaalsContact O-N 3.16Å; L113-E116 HydrophobicContact CB-CB 4.15Å; L113-E116 WeakPolarHBondContact CB-OE2 3.34Å; L113-E116 PolarHBondContact N-OE2 2.78Å; L113-E116 WeakPolarHBondContact O-CB 3.44Å; L113-E116 PolarHBondContact O-N 2.97Å | ||
| 114 | P | 85.5 | Confident | 83.6 | Confident | 126 Ų | 126 | 77.4 Ų | 77.4 | 82% | 0.818 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 125 | 177.1 | -29.5 | 36.4 | 0 | 0 | 0 | 111.8 | E116 | P114-E116 VanDerWaalsContact C-N 3.34Å; P114-E116 PolarHBondContact O-N 3.37Å |
| 115 | G | 86 | Confident | 84.9 | Confident | 56 Ų | 56 | 77.1 Ų | 77.1 | 58% | 0.577 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | -17.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | L113 A118 A119 | L113-G115 PolarHBondContact O-N 3.44Å; L113-G115 VanDerWaalsContact O-N 3.16Å; G115-A118 PolarHBondContact O-N 3.1Å; G115-A119 PolarHBondContact O-N 3.38Å; G115-A119 VanDerWaalsContact O-N 3.15Å |
| 116 | E | 87.9 | Confident | 85.9 | Confident | 47 Ų | 47 | 72.6 Ų | 72.6 | 22% | 0.22 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 179.8 | -176.7 | -177.5 | 175.6 | 0 | 0 | 111.3 | L112 L113 P114 A118 A119 M120 K168 | L112-E116 HydrophobicContact CB-CB 4.3Å; L112-E116 HydrophobicContact CD2-CG 4.27Å; L113-E116 HydrophobicContact CB-CB 4.15Å; L113-E116 WeakPolarHBondContact CB-OE2 3.34Å; L113-E116 PolarHBondContact N-OE2 2.78Å; L113-E116 WeakPolarHBondContact O-CB 3.44Å; L113-E116 PolarHBondContact O-N 2.97Å; P114-E116 VanDerWaalsContact C-N 3.34Å; P114-E116 PolarHBondContact O-N 3.37Å; E116-A118 PolarHBondContact O-N 3.41Å; E116-A119 PolarHBondContact O-N 2.86Å; E116-M120 HydrophobicContact CG-CE 3.69Å; E116-M120 HydrophobicContact CG-SD 4.24Å; E116-M120 WeakPolarHBondContact O-CG 3.32Å; E116-M120 PolarHBondContact O-N 3.41Å; E116-M120 WeakPolarHBondContact OE1-CE 3.22Å; E116-K168 IonicContact OE1-NZ 2.9Å; E116-K168 PolarHBondContact OE1-NZ 2.82Å; E116-K168 IonicContact OE2-NZ 3.88Å; E116-K168 PolarHBondContact OE2-NZ 3.27Å |
| 117 | G | 88.1 | Confident | 86.5 | Confident | 4 Ų | 4 | 74.6 Ų | 74.6 | 4% | 0.041 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -63.1 | -40.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | M120 A121 | G117-M120 PolarHBondContact O-N 2.99Å; G117-A121 VanDerWaalsContact O-CB 3.22Å; G117-A121 WeakPolarHBondContact O-CB 3.42Å; G117-A121 PolarHBondContact O-N 3.32Å |
| 118 | A | 88 | Confident | 86.7 | Confident | 59 Ų | 59 | 71.4 Ų | 71.4 | 49% | 0.488 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65 | -41.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y108 G115 E116 A121 A122 | Y108-A118 HydrophobicContact CE2-CB 4.4Å; G115-A118 PolarHBondContact O-N 3.1Å; E116-A118 PolarHBondContact O-N 3.41Å; A118-A121 PolarHBondContact O-N 3.48Å; A118-A122 PolarHBondContact O-N 3.42Å; A118-A122 VanDerWaalsContact O-N 3.1Å |
| 119 | A | 87.7 | Confident | 86.8 | Confident | 54 Ų | 54 | 71.6 Ų | 71.6 | 45% | 0.446 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G115 E116 A122 Y123 | G115-A119 PolarHBondContact O-N 3.38Å; G115-A119 VanDerWaalsContact O-N 3.15Å; E116-A119 PolarHBondContact O-N 2.86Å; A119-A122 PolarHBondContact O-N 3.41Å; A119-Y123 WeakPolarHBondContact O-CD2 3.28Å |
| 120 | M | 87.2 | Confident | 86.8 | Confident | 32 Ų | 32 | 69.9 Ų | 69.9 | 16% | 0.158 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -66.8 | -37.9 | 177.8 | -67.5 | -175.8 | 175.8 | 0 | 0 | 112.3 | E116 G117 A122 Y123 I124 I130 I172 | E116-M120 HydrophobicContact CG-CE 3.69Å; E116-M120 HydrophobicContact CG-SD 4.24Å; E116-M120 WeakPolarHBondContact O-CG 3.32Å; E116-M120 PolarHBondContact O-N 3.41Å; E116-M120 WeakPolarHBondContact OE1-CE 3.22Å; G117-M120 PolarHBondContact O-N 2.99Å; M120-A122 VanDerWaalsContact C-N 3.3Å; M120-A122 PolarHBondContact O-N 2.92Å; M120-Y123 PolarHBondContact O-N 3.45Å; M120-I124 PolarHBondContact O-N 2.84Å; M120-I124 VanDerWaalsContact O-N 3.11Å; M120-I130 HydrophobicContact CB-CD1 4.46Å; M120-I130 HydrophobicContact CB-CG2 4.26Å; M120-I130 HydrophobicContact CE-CG2 4.28Å; M120-I130 HydrophobicContact CG-CG2 3.75Å; M120-I130 HydrophobicContact SD-CG2 4.13Å; M120-I172 HydrophobicContact CB-CD1 3.33Å; M120-I172 HydrophobicContact CG-CD1 3.9Å; M120-I172 HydrophobicContact SD-CD1 3.3Å; M120-I172 WeakPolarHBondContact SD-CD1 3.46Å |
| 121 | A | 88.8 | Confident | 86.8 | Confident | 11 Ų | 11 | 61.1 Ų | 61.1 | 9% | 0.091 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.9 | -34.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y108 G117 A118 Y123 I124 A125 I172 | Y108-A121 HydrophobicContact CE1-CB 3.89Å; Y108-A121 HydrophobicContact CE2-CB 4.33Å; Y108-A121 WeakPolarHBondContact OH-CB 3.3Å; G117-A121 VanDerWaalsContact O-CB 3.22Å; G117-A121 WeakPolarHBondContact O-CB 3.42Å; G117-A121 PolarHBondContact O-N 3.32Å; A118-A121 PolarHBondContact O-N 3.48Å; A121-Y123 PolarHBondContact O-N 3.05Å; A121-I124 PolarHBondContact O-N 3.05Å; A121-A125 WeakPolarHBondContact O-CB 3.44Å; A121-A125 PolarHBondContact O-N 3.09Å; A121-I172 HydrophobicContact CB-CG2 3.98Å |
| 122 | A | 88.8 | Confident | 86.7 | Confident | 47 Ų | 47 | 58.2 Ų | 58.2 | 39% | 0.388 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | A118 A119 M120 I124 A125 E126 | A118-A122 PolarHBondContact O-N 3.42Å; A118-A122 VanDerWaalsContact O-N 3.1Å; A119-A122 PolarHBondContact O-N 3.41Å; M120-A122 VanDerWaalsContact C-N 3.3Å; M120-A122 PolarHBondContact O-N 2.92Å; A122-I124 PolarHBondContact O-N 2.98Å; A122-A125 PolarHBondContact O-N 3.02Å; A122-E126 WeakPolarHBondContact O-CG 3.37Å; A122-E126 PolarHBondContact O-N 2.89Å |
| 123 | Y | 88.2 | Confident | 86.4 | Confident | 95 Ų | 95 | 68.6 Ų | 68.6 | 37% | 0.373 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 174.7 | -79.6 | -84.3 | 0 | 0 | 0 | 112.3 | A119 M120 A121 E126 G127 K128 P131 | A119-Y123 WeakPolarHBondContact O-CD2 3.28Å; M120-Y123 PolarHBondContact O-N 3.45Å; A121-Y123 PolarHBondContact O-N 3.05Å; Y123-E126 CarbonylContact O-C 3.58Å; Y123-E126 PolarHBondContact O-N 3.36Å; Y123-G127 PolarHBondContact O-N 2.88Å; Y123-K128 CarbonylContact C-O 3.35Å; Y123-K128 HydrophobicContact CD1-CB 3.96Å; Y123-K128 HydrophobicContact CD1-CD 4.38Å; Y123-K128 PolarHBondContact O-N 2.85Å; Y123-P131 HydrophobicContact CD1-CG 4.23Å; Y123-P131 HydrophobicContact CD2-CG 4.14Å; Y123-P131 HydrophobicContact CE1-CG 3.81Å; Y123-P131 HydrophobicContact CE2-CG 3.71Å; Y123-P131 HydrophobicContact CG-CG 4.39Å |
| 124 | I | 85.8 | Confident | 86.2 | Confident | 32 Ų | 32 | 65 Ų | 65 | 16% | 0.164 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 177 | -68.2 | 162.2 | 0 | 0 | 0 | 111.2 | M120 A121 A122 E126 G127 I130 I172 Y173 | M120-I124 PolarHBondContact O-N 2.84Å; M120-I124 VanDerWaalsContact O-N 3.11Å; A121-I124 PolarHBondContact O-N 3.05Å; A122-I124 PolarHBondContact O-N 2.98Å; I124-E126 PolarHBondContact O-N 2.79Å; I124-G127 WeakPolarHBondContact O-CA 3.29Å; I124-G127 PolarHBondContact O-N 3.42Å; I124-I130 HydrophobicContact CD1-CD1 3.81Å; I124-I130 HydrophobicContact CD1-CG1 4.4Å; I124-I130 HydrophobicContact CG1-CD1 3.95Å; I124-I130 HydrophobicContact CG1-CG1 4.07Å; I124-I172 HydrophobicContact CD1-CB 4.01Å; I124-I172 HydrophobicContact CD1-CG2 3.43Å; I124-I172 VanDerWaalsContact CD1-CG2 3.43Å; I124-Y173 HydrophobicContact CD1-CD1 4.31Å; I124-Y173 HydrophobicContact CD1-CE1 4.01Å; I124-Y173 HydrophobicContact CG1-CE1 4.06Å; I124-Y173 HydrophobicContact CG2-CD1 4.22Å; I124-Y173 HydrophobicContact CG2-CE1 3.73Å |
| 125 | A | 86.3 | Confident | 86.2 | Confident | 91 Ų | 91 | 59.3 Ų | 59.3 | 75% | 0.752 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.8 | -33.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A121 A122 G127 | A121-A125 WeakPolarHBondContact O-CB 3.44Å; A121-A125 PolarHBondContact O-N 3.09Å; A122-A125 PolarHBondContact O-N 3.02Å; A125-G127 PolarHBondContact O-N 3.47Å |
| 126 | E | 87.7 | Confident | 86 | Confident | 113 Ų | 113 | 64.6 Ų | 64.6 | 53% | 0.528 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -2.1 | 171.5 | -68.2 | 177.3 | -164.9 | 0 | 0 | 113.6 | A122 Y123 I124 K128 | A122-E126 WeakPolarHBondContact O-CG 3.37Å; A122-E126 PolarHBondContact O-N 2.89Å; Y123-E126 CarbonylContact O-C 3.58Å; Y123-E126 PolarHBondContact O-N 3.36Å; I124-E126 PolarHBondContact O-N 2.79Å; E126-K128 HydrophobicContact CB-CB 4.48Å; E126-K128 HydrophobicContact CB-CD 4.02Å; E126-K128 HydrophobicContact CB-CG 4.03Å; E126-K128 PolarHBondContact O-N 3.23Å; E126-K128 VanDerWaalsContact OE2-CD 3.3Å; E126-K128 WeakPolarHBondContact OE2-CD 3.35Å; E126-K128 VanDerWaalsContact OE2-CE 3.26Å; E126-K128 WeakPolarHBondContact OE2-CE 3.43Å; E126-K128 IonicContact OE2-NZ 2.71Å; E126-K128 PolarHBondContact OE2-NZ 3.45Å |
| 127 | G | 86.2 | Confident | 85.9 | Confident | 71 Ų | 71 | 66 Ų | 66 | 73% | 0.732 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 16.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y123 I124 A125 | Y123-G127 PolarHBondContact O-N 2.88Å; I124-G127 WeakPolarHBondContact O-CA 3.29Å; I124-G127 PolarHBondContact O-N 3.42Å; A125-G127 PolarHBondContact O-N 3.47Å |
| 128 | K | 88 | Confident | 85.9 | Confident | 80 Ų | 80 | 69.3 Ų | 69.3 | 35% | 0.348 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -95.7 | 148.8 | -175.7 | -67.9 | 177.8 | -172.1 | 163.9 | 0 | 111.5 | Y123 E126 I130 | Y123-K128 CarbonylContact C-O 3.35Å; Y123-K128 HydrophobicContact CD1-CB 3.96Å; Y123-K128 HydrophobicContact CD1-CD 4.38Å; Y123-K128 PolarHBondContact O-N 2.85Å; E126-K128 HydrophobicContact CB-CB 4.48Å; E126-K128 HydrophobicContact CB-CD 4.02Å; E126-K128 HydrophobicContact CB-CG 4.03Å; E126-K128 PolarHBondContact O-N 3.23Å; E126-K128 VanDerWaalsContact OE2-CD 3.3Å; E126-K128 WeakPolarHBondContact OE2-CD 3.35Å; E126-K128 VanDerWaalsContact OE2-CE 3.26Å; E126-K128 WeakPolarHBondContact OE2-CE 3.43Å; E126-K128 IonicContact OE2-NZ 2.71Å; E126-K128 PolarHBondContact OE2-NZ 3.45Å; K128-I130 PolarHBondContact O-N 3.4Å |
| 129 | R | 86.2 | Confident | 86.1 | Confident | 37 Ų | 37 | 70 Ų | 70 | 14% | 0.14 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 132.5 | 170.6 | -172.7 | -178.4 | 170.1 | -76.1 | 15.1 | 110.9 | E135 E147 | R129-E135 IonicContact CZ-OE1 3.53Å; R129-E135 IonicContact CZ-OE2 3.42Å; R129-E135 IonicContact NH1-OE1 2.68Å; R129-E135 IonicContact NH1-OE2 3.5Å; R129-E135 PolarHBondContact NH1-OE2 2.9Å; R129-E135 IonicContact NH2-OE1 2.77Å; R129-E135 PolarHBondContact NH2-OE1 3.39Å; R129-E135 IonicContact NH2-OE2 3.6Å; R129-E135 PolarHBondContact NH2-OE2 2.91Å; R129-E147 IonicContact CZ-OE1 2.78Å; R129-E147 IonicContact CZ-OE2 2.89Å; R129-E147 IonicContact NE-OE1 3.76Å; R129-E147 IonicContact NE-OE2 3.56Å; R129-E147 PolarHBondContact NE-OE2 2.97Å; R129-E147 IonicContact NH2-OE1 3.57Å; R129-E147 PolarHBondContact NH2-OE1 2.78Å; R129-E147 IonicContact NH2-OE2 2.68Å |
| 130 | I | 84.7 | Confident | 86.1 | Confident | 10 Ų | 10 | 68.4 Ų | 68.4 | 5% | 0.051 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 129.4 | 178.2 | -61.6 | 160.6 | 0 | 0 | 0 | 109.9 | M120 I124 K128 R132 E169 | M120-I130 HydrophobicContact CB-CD1 4.46Å; M120-I130 HydrophobicContact CB-CG2 4.26Å; M120-I130 HydrophobicContact CE-CG2 4.28Å; M120-I130 HydrophobicContact CG-CG2 3.75Å; M120-I130 HydrophobicContact SD-CG2 4.13Å; I124-I130 HydrophobicContact CD1-CD1 3.81Å; I124-I130 HydrophobicContact CD1-CG1 4.4Å; I124-I130 HydrophobicContact CG1-CD1 3.95Å; I124-I130 HydrophobicContact CG1-CG1 4.07Å; K128-I130 PolarHBondContact O-N 3.4Å; I130-R132 PolarHBondContact O-N 2.88Å; I130-E169 HydrophobicContact CD1-CB 4.29Å; I130-E169 HydrophobicContact CD1-CG 3.66Å |
| 131 | P | 83.7 | Confident | 86.3 | Confident | 63 Ų | 63 | 72.4 Ų | 72.4 | 41% | 0.409 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 131.8 | 178.8 | -23.9 | 33.3 | 0 | 0 | 0 | 112.9 | Y123 | Y123-P131 HydrophobicContact CD1-CG 4.23Å; Y123-P131 HydrophobicContact CD2-CG 4.14Å; Y123-P131 HydrophobicContact CE1-CG 3.81Å; Y123-P131 HydrophobicContact CE2-CG 3.71Å; Y123-P131 HydrophobicContact CG-CG 4.39Å |
| 132 | R | 84 | Confident | 86.5 | Confident | 45 Ų | 45 | 75.4 Ų | 75.4 | 17% | 0.17 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -100.3 | 159.8 | 173.7 | -45.4 | 178.2 | -177.8 | 148.2 | 7.7 | 111 | I130 G134 E135 E147 T156 | I130-R132 PolarHBondContact O-N 2.88Å; R132-G134 PolarHBondContact O-N 3.17Å; R132-E135 VanDerWaalsContact CB-CD 3.44Å; R132-E135 HydrophobicContact CB-CG 4.13Å; R132-E135 VanDerWaalsContact CB-OE2 3.27Å; R132-E135 WeakPolarHBondContact CB-OE2 3.28Å; R132-E135 WeakPolarHBondContact CD-OE1 3.38Å; R132-E135 WeakPolarHBondContact CG-OE2 3.37Å; R132-E135 PolarHBondContact N-OE2 3.34Å; R132-E135 WeakPolarHBondContact O-CB 3.41Å; R132-E135 PolarHBondContact O-N 3.28Å; R132-E135 VanDerWaalsContact O-N 3.17Å; R132-E147 IonicContact CZ-OE1 2.75Å; R132-E147 IonicContact NH1-OE1 3.73Å; R132-E147 PolarHBondContact NH1-OE1 2.91Å; R132-E147 IonicContact NH2-OE1 3.38Å; R132-T156 PolarHBondContact NH1-OG1 3.02Å; R132-T156 VanDerWaalsContact NH1-OG1 3.07Å |
| 133 | R | 80.3 | Confident | 86.5 | Confident | 238 Ų | 238 | 73.4 Ų | 73.4 | 90% | 0.898 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 124.1 | 175.7 | -179.7 | 178.1 | 178.3 | -113.3 | 0.5 | 110.1 | ||
| 134 | G | 81.6 | Confident | 86.6 | Confident | 55 Ų | 55 | 73.9 Ų | 73.9 | 57% | 0.567 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.2 | 2.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | R132 | R132-G134 PolarHBondContact O-N 3.17Š|
| 135 | E | 86.1 | Confident | 87 | Confident | 5 Ų | 5 | 78.2 Ų | 78.2 | 2% | 0.023 | 44% | 0.438 | C | S | . | . | trans | -105 | 7 | 174.5 | -54 | 177.6 | 162.3 | 0 | 0 | 112.1 | R129 R132 G137 L138 I143 M153 | R129-E135 IonicContact CZ-OE1 3.53Å; R129-E135 IonicContact CZ-OE2 3.42Å; R129-E135 IonicContact NH1-OE1 2.68Å; R129-E135 IonicContact NH1-OE2 3.5Å; R129-E135 PolarHBondContact NH1-OE2 2.9Å; R129-E135 IonicContact NH2-OE1 2.77Å; R129-E135 PolarHBondContact NH2-OE1 3.39Å; R129-E135 IonicContact NH2-OE2 3.6Å; R129-E135 PolarHBondContact NH2-OE2 2.91Å; R132-E135 VanDerWaalsContact CB-CD 3.44Å; R132-E135 HydrophobicContact CB-CG 4.13Å; R132-E135 VanDerWaalsContact CB-OE2 3.27Å; R132-E135 WeakPolarHBondContact CB-OE2 3.28Å; R132-E135 WeakPolarHBondContact CD-OE1 3.38Å; R132-E135 WeakPolarHBondContact CG-OE2 3.37Å; R132-E135 PolarHBondContact N-OE2 3.34Å; R132-E135 WeakPolarHBondContact O-CB 3.41Å; R132-E135 PolarHBondContact O-N 3.28Å; R132-E135 VanDerWaalsContact O-N 3.17Å; E135-G137 PolarHBondContact O-N 3.1Å; E135-L138 PolarHBondContact O-N 2.87Å; E135-I143 HydrophobicContact CB-CD1 3.81Å; E135-I143 HydrophobicContact CG-CD1 4.39Å; E135-M153 HydrophobicContact CB-CE 4.47Å; E135-M153 HydrophobicContact CG-CE 3.79Å | ||
| 136 | I | 81.2 | Confident | 87.3 | Confident | 167 Ų | 167 | 77.8 Ų | 77.8 | 86% | 0.856 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 120.7 | 177.6 | -57.7 | 167.6 | 0 | 0 | 0 | 107.6 | ||
| 137 | G | 85.8 | Confident | 87.4 | Confident | 78 Ų | 78 | 74.9 Ų | 74.9 | 80% | 0.804 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106.5 | -5.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E135 | E135-G137 PolarHBondContact O-N 3.1Š|
| 138 | L | 88.6 | Confident | 87.6 | Confident | 72 Ų | 72 | 77.5 Ų | 77.5 | 38% | 0.377 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -110 | 142.4 | 167.3 | -62.5 | 174.7 | 0 | 0 | 0 | 110.1 | E135 I143 F146 M153 | E135-L138 PolarHBondContact O-N 2.87Å; L138-I143 HydrophobicContact CB-CD1 4.02Å; L138-I143 HydrophobicContact CB-CG1 3.67Å; L138-I143 HydrophobicContact CD1-CG1 4.21Å; L138-F146 HydrophobicContact CD1-CD2 4.46Å; L138-F146 HydrophobicContact CD1-CE2 4.35Å; L138-F146 HydrophobicContact CD2-CE2 4.22Å; L138-M153 HydrophobicContact CD1-CE 3.78Å |
| 139 | T | 90.7 | Very high | 87.9 | Confident | 74 Ų | 74 | 79.1 Ų | 79.1 | 45% | 0.454 | 42% | 0.419 | S | S | . | . | trans | -74.8 | 154.6 | 173.5 | 63.5 | 0 | 0 | 0 | 0 | 110.7 | E141 E142 I143 | T139-E141 PolarHBondContact O-N 2.95Å; T139-E142 WeakPolarHBondContact CB-OE2 3.32Å; T139-E142 PolarHBondContact N-OE2 2.89Å; T139-E142 PolarHBondContact O-N 3.45Å; T139-E142 VanDerWaalsContact O-N 3.17Å; T139-E142 WeakPolarHBondContact OG1-CB 3.45Å; T139-E142 WeakPolarHBondContact OG1-CG 3.29Å; T139-E142 PolarHBondContact OG1-N 3.22Å; T139-E142 PolarHBondContact OG1-OE2 3.24Å; T139-I143 WeakPolarHBondContact O-CD1 3.45Å; T139-I143 VanDerWaalsContact O-CG1 3.29Å; T139-I143 WeakPolarHBondContact O-CG1 3.4Å; T139-I143 PolarHBondContact O-N 3.32Å | ||
| 140 | S | 88.7 | Confident | 88.2 | Confident | 21 Ų | 21 | 80 Ų | 80 | 15% | 0.147 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -54.9 | -38.6 | 177.1 | 48.9 | 0 | 0 | 0 | 0 | 112.3 | I143 E144 | S140-I143 PolarHBondContact O-N 3.39Å; S140-E144 PolarHBondContact O-N 2.67Å; S140-E144 VanDerWaalsContact O-N 3.08Å |
| 141 | E | 91.5 | Very high | 88.5 | Confident | 115 Ų | 115 | 85.7 Ų | 85.7 | 54% | 0.537 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68.6 | -40.3 | 179.1 | -62.4 | 176.7 | -162 | 0 | 0 | 112.6 | T139 I143 K145 | T139-E141 PolarHBondContact O-N 2.95Å; E141-I143 VanDerWaalsContact C-N 3.35Å; E141-K145 WeakPolarHBondContact O-CD 3.04Å; E141-K145 VanDerWaalsContact O-CG 3.23Å; E141-K145 WeakPolarHBondContact O-CG 2.98Å; E141-K145 PolarHBondContact O-N 3.36Å |
| 142 | E | 92.6 | Very high | 88.7 | Confident | 75 Ų | 75 | 85.7 Ų | 85.7 | 35% | 0.35 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 175.7 | -75.2 | 164.7 | 147.4 | 0 | 0 | 111.1 | T139 E144 K145 F146 | T139-E142 WeakPolarHBondContact CB-OE2 3.32Å; T139-E142 PolarHBondContact N-OE2 2.89Å; T139-E142 PolarHBondContact O-N 3.45Å; T139-E142 VanDerWaalsContact O-N 3.17Å; T139-E142 WeakPolarHBondContact OG1-CB 3.45Å; T139-E142 WeakPolarHBondContact OG1-CG 3.29Å; T139-E142 PolarHBondContact OG1-N 3.22Å; T139-E142 PolarHBondContact OG1-OE2 3.24Å; E142-E144 VanDerWaalsContact C-N 3.34Å; E142-E144 PolarHBondContact O-N 3.02Å; E142-K145 WeakPolarHBondContact O-CB 3.35Å; E142-K145 PolarHBondContact O-N 3.18Å; E142-F146 HydrophobicContact CB-CD2 4.46Å; E142-F146 HydrophobicContact CB-CE2 4.08Å; E142-F146 WeakPolarHBondContact O-CD2 3.32Å; E142-F146 WeakPolarHBondContact O-CG 3.33Å; E142-F146 PolarHBondContact O-N 3.46Å |
| 143 | I | 89 | Confident | 88.7 | Confident | 4 Ų | 4 | 84.8 Ų | 84.8 | 2% | 0.021 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 180 | -59.5 | 160.4 | 0 | 0 | 0 | 110.4 | E135 L138 T139 S140 E141 K145 F146 E147 M153 | E135-I143 HydrophobicContact CB-CD1 3.81Å; E135-I143 HydrophobicContact CG-CD1 4.39Å; L138-I143 HydrophobicContact CB-CD1 4.02Å; L138-I143 HydrophobicContact CB-CG1 3.67Å; L138-I143 HydrophobicContact CD1-CG1 4.21Å; T139-I143 WeakPolarHBondContact O-CD1 3.45Å; T139-I143 VanDerWaalsContact O-CG1 3.29Å; T139-I143 WeakPolarHBondContact O-CG1 3.4Å; T139-I143 PolarHBondContact O-N 3.32Å; S140-I143 PolarHBondContact O-N 3.39Å; E141-I143 VanDerWaalsContact C-N 3.35Å; I143-K145 VanDerWaalsContact C-N 3.34Å; I143-K145 PolarHBondContact O-N 2.97Å; I143-F146 PolarHBondContact O-N 2.87Å; I143-E147 HydrophobicContact CG2-CG 4.29Å; I143-E147 WeakPolarHBondContact O-CB 3.2Å; I143-E147 WeakPolarHBondContact O-CG 3.33Å; I143-E147 PolarHBondContact O-N 2.78Å; I143-M153 HydrophobicContact CG1-CE 4.24Å; I143-M153 HydrophobicContact CG2-CE 4.04Å; I143-M153 HydrophobicContact CG2-CG 3.87Å; I143-M153 HydrophobicContact CG2-SD 4.15Å |
| 144 | E | 90 | Very high | 88.8 | Confident | 106 Ų | 106 | 77.4 Ų | 77.4 | 50% | 0.495 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 175.3 | -172.5 | 176.9 | -177.2 | 0 | 0 | 111.6 | S140 E142 F146 E147 N148 | S140-E144 PolarHBondContact O-N 2.67Å; S140-E144 VanDerWaalsContact O-N 3.08Å; E142-E144 VanDerWaalsContact C-N 3.34Å; E142-E144 PolarHBondContact O-N 3.02Å; E144-F146 PolarHBondContact O-N 3.25Å; E144-E147 PolarHBondContact O-N 2.83Å; E144-N148 WeakPolarHBondContact O-CB 3.42Å; E144-N148 PolarHBondContact O-N 3.29Å; E144-N148 PolarHBondContact O-ND2 2.93Å |
| 145 | K | 93.7 | Very high | 88.7 | Confident | 122 Ų | 122 | 76.6 Ų | 76.6 | 53% | 0.53 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60 | -44.8 | 174.7 | -70.7 | 165.4 | -171.3 | 169.4 | 0 | 112.1 | E141 E142 I143 N148 V149 | E141-K145 WeakPolarHBondContact O-CD 3.04Å; E141-K145 VanDerWaalsContact O-CG 3.23Å; E141-K145 WeakPolarHBondContact O-CG 2.98Å; E141-K145 PolarHBondContact O-N 3.36Å; E142-K145 WeakPolarHBondContact O-CB 3.35Å; E142-K145 PolarHBondContact O-N 3.18Å; I143-K145 VanDerWaalsContact C-N 3.34Å; I143-K145 PolarHBondContact O-N 2.97Å; K145-N148 PolarHBondContact O-N 3.41Å; K145-V149 WeakPolarHBondContact O-CG2 3.37Å; K145-V149 PolarHBondContact O-N 3.45Å; K145-V149 VanDerWaalsContact O-N 3.15Å |
| 146 | F | 92.6 | Very high | 88.5 | Confident | 82 Ų | 82 | 78 Ų | 78 | 36% | 0.36 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.3 | -43 | 178.2 | -68.3 | -46.2 | 0 | 0 | 0 | 112.3 | L138 E142 I143 E144 N148 V149 G150 F151 | L138-F146 HydrophobicContact CD1-CD2 4.46Å; L138-F146 HydrophobicContact CD1-CE2 4.35Å; L138-F146 HydrophobicContact CD2-CE2 4.22Å; E142-F146 HydrophobicContact CB-CD2 4.46Å; E142-F146 HydrophobicContact CB-CE2 4.08Å; E142-F146 WeakPolarHBondContact O-CD2 3.32Å; E142-F146 WeakPolarHBondContact O-CG 3.33Å; E142-F146 PolarHBondContact O-N 3.46Å; I143-F146 PolarHBondContact O-N 2.87Å; E144-F146 PolarHBondContact O-N 3.25Å; F146-N148 VanDerWaalsContact C-N 3.32Å; F146-N148 PolarHBondContact O-N 3.22Å; F146-V149 PolarHBondContact O-N 2.84Å; F146-G150 PolarHBondContact O-N 3.1Å; F146-F151 HydrophobicContact CB-CB 4.08Å; F146-F151 HydrophobicContact CB-CD2 4.27Å; F146-F151 HydrophobicContact CD1-CD2 4.06Å; F146-F151 HydrophobicContact CD1-CE2 4.41Å; F146-F151 WeakPolarHBondContact O-CB 3.22Å; F146-F151 PolarHBondContact O-N 3.41Å |
| 147 | E | 90.2 | Very high | 88.7 | Confident | 53 Ų | 53 | 79.6 Ų | 79.6 | 25% | 0.248 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 176.4 | -72.4 | -178.4 | 153.1 | 0 | 0 | 111 | R129 R132 I143 E144 V149 G150 M153 | R129-E147 IonicContact CZ-OE1 2.78Å; R129-E147 IonicContact CZ-OE2 2.89Å; R129-E147 IonicContact NE-OE1 3.76Å; R129-E147 IonicContact NE-OE2 3.56Å; R129-E147 PolarHBondContact NE-OE2 2.97Å; R129-E147 IonicContact NH2-OE1 3.57Å; R129-E147 PolarHBondContact NH2-OE1 2.78Å; R129-E147 IonicContact NH2-OE2 2.68Å; R132-E147 IonicContact CZ-OE1 2.75Å; R132-E147 IonicContact NH1-OE1 3.73Å; R132-E147 PolarHBondContact NH1-OE1 2.91Å; R132-E147 IonicContact NH2-OE1 3.38Å; I143-E147 HydrophobicContact CG2-CG 4.29Å; I143-E147 WeakPolarHBondContact O-CB 3.2Å; I143-E147 WeakPolarHBondContact O-CG 3.33Å; I143-E147 PolarHBondContact O-N 2.78Å; E144-E147 PolarHBondContact O-N 2.83Å; E147-V149 VanDerWaalsContact C-N 3.34Å; E147-V149 PolarHBondContact O-N 3.23Å; E147-G150 WeakPolarHBondContact O-CA 3.15Å; E147-G150 PolarHBondContact O-N 3.46Å; E147-M153 HydrophobicContact CG-CG 3.91Å |
| 148 | N | 91.7 | Very high | 89 | Confident | 125 Ų | 125 | 80.3 Ų | 80.3 | 67% | 0.668 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -64.2 | -34.4 | 177 | -71.2 | -20.1 | 0 | 0 | 0 | 113.4 | E144 K145 F146 G150 | E144-N148 WeakPolarHBondContact O-CB 3.42Å; E144-N148 PolarHBondContact O-N 3.29Å; E144-N148 PolarHBondContact O-ND2 2.93Å; K145-N148 PolarHBondContact O-N 3.41Å; F146-N148 VanDerWaalsContact C-N 3.32Å; F146-N148 PolarHBondContact O-N 3.22Å; N148-G150 PolarHBondContact O-N 3.37Å |
| 149 | V | 93.9 | Very high | 89.1 | Confident | 114 Ų | 114 | 87.2 Ų | 87.2 | 69% | 0.691 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -75 | -12.9 | 174.5 | 176 | 0 | 0 | 0 | 0 | 111.9 | K145 F146 E147 F151 | K145-V149 WeakPolarHBondContact O-CG2 3.37Å; K145-V149 PolarHBondContact O-N 3.45Å; K145-V149 VanDerWaalsContact O-N 3.15Å; F146-V149 PolarHBondContact O-N 2.84Å; E147-V149 VanDerWaalsContact C-N 3.34Å; E147-V149 PolarHBondContact O-N 3.23Å; V149-F151 HydrophobicContact CB-CD2 4.11Å; V149-F151 HydrophobicContact CB-CE2 4.31Å; V149-F151 HydrophobicContact CG1-CD2 4.01Å; V149-F151 HydrophobicContact CG1-CE2 3.77Å |
| 150 | G | 92.1 | Very high | 89.1 | Confident | 57 Ų | 57 | 93.6 Ų | 93.6 | 59% | 0.588 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.5 | 11.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | F146 E147 N148 | F146-G150 PolarHBondContact O-N 3.1Å; E147-G150 WeakPolarHBondContact O-CA 3.15Å; E147-G150 PolarHBondContact O-N 3.46Å; N148-G150 PolarHBondContact O-N 3.37Å |
| 151 | F | 91.6 | Very high | 89 | Confident | 128 Ų | 128 | 97.7 Ų | 97.7 | 56% | 0.561 | 48% | 0.479 | S | S | * | . | trans | -67.6 | 140.1 | 167.9 | -71.1 | -79.9 | 0 | 0 | 0 | 110 | F146 V149 | F146-F151 HydrophobicContact CB-CB 4.08Å; F146-F151 HydrophobicContact CB-CD2 4.27Å; F146-F151 HydrophobicContact CD1-CD2 4.06Å; F146-F151 HydrophobicContact CD1-CE2 4.41Å; F146-F151 WeakPolarHBondContact O-CB 3.22Å; F146-F151 PolarHBondContact O-N 3.41Å; V149-F151 HydrophobicContact CB-CD2 4.11Å; V149-F151 HydrophobicContact CB-CE2 4.31Å; V149-F151 HydrophobicContact CG1-CD2 4.01Å; V149-F151 HydrophobicContact CG1-CE2 3.77Å | ||
| 152 | V | 86.7 | Confident | 88.8 | Confident | 63 Ų | 63 | 95.2 Ų | 95.2 | 38% | 0.382 | 47% | 0.468 | S | S | . | . | trans | -104.3 | 113.5 | -179.3 | -172.3 | 0 | 0 | 0 | 0 | 109.8 | T156 R157 | V152-T156 HydrophobicContact CG1-CG2 4.38Å; V152-R157 HydrophobicContact CG1-CG 3.4Å; V152-R157 VanDerWaalsContact CG1-CG 3.4Å | ||
| 153 | M | 84.8 | Confident | 88.6 | Confident | 26 Ų | 26 | 94.1 Ų | 94.1 | 13% | 0.128 | 47% | 0.471 | C | S | . | . | trans | -67.5 | 157.4 | 178.5 | -58.7 | -56.2 | -68 | 0 | 0 | 112.3 | E135 L138 I143 E147 G155 T156 | E135-M153 HydrophobicContact CB-CE 4.47Å; E135-M153 HydrophobicContact CG-CE 3.79Å; L138-M153 HydrophobicContact CD1-CE 3.78Å; I143-M153 HydrophobicContact CG1-CE 4.24Å; I143-M153 HydrophobicContact CG2-CE 4.04Å; I143-M153 HydrophobicContact CG2-CG 3.87Å; I143-M153 HydrophobicContact CG2-SD 4.15Å; E147-M153 HydrophobicContact CG-CG 3.91Å; M153-G155 PolarHBondContact O-N 2.91Å; M153-T156 WeakPolarHBondContact O-CB 3.21Å; M153-T156 PolarHBondContact O-N 3.42Å; M153-T156 VanDerWaalsContact O-N 3.14Å; M153-T156 PolarHBondContact O-OG1 3.22Å | ||
| 154 | S | 82.1 | Confident | 88.5 | Confident | 83 Ų | 83 | 97 Ų | 97 | 58% | 0.58 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 129 | 175.5 | -170.8 | 0 | 0 | 0 | 0 | 110.3 | T156 | S154-T156 VanDerWaalsContact C-N 3.32Å; S154-T156 PolarHBondContact O-N 3.16Å |
| 155 | G | 78.8 | Confident | 88.4 | Confident | 38 Ų | 38 | 94.3 Ų | 94.3 | 39% | 0.392 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | -20.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | M153 R157 H158 | M153-G155 PolarHBondContact O-N 2.91Å; G155-R157 VanDerWaalsContact C-N 3.3Å; G155-R157 PolarHBondContact O-N 2.85Å; G155-H158 PolarHBondContact O-N 3.34Å |
| 156 | T | 82.2 | Confident | 88.2 | Confident | 34 Ų | 34 | 91.9 Ų | 91.9 | 21% | 0.209 | 47% | 0.467 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -29.3 | -176.5 | -54.3 | 0 | 0 | 0 | 0 | 113.3 | R132 V152 M153 S154 H158 | R132-T156 PolarHBondContact NH1-OG1 3.02Å; R132-T156 VanDerWaalsContact NH1-OG1 3.07Å; V152-T156 HydrophobicContact CG1-CG2 4.38Å; M153-T156 WeakPolarHBondContact O-CB 3.21Å; M153-T156 PolarHBondContact O-N 3.42Å; M153-T156 VanDerWaalsContact O-N 3.14Å; M153-T156 PolarHBondContact O-OG1 3.22Å; S154-T156 VanDerWaalsContact C-N 3.32Å; S154-T156 PolarHBondContact O-N 3.16Å; T156-H158 VanDerWaalsContact C-N 3.31Å; T156-H158 PolarHBondContact O-N 2.9Å |
| 157 | R | 86 | Confident | 88.1 | Confident | 202 Ų | 202 | 95.4 Ų | 95.4 | 76% | 0.762 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -12.6 | 178.5 | -60.9 | -168.4 | 178.4 | 122.1 | -2.1 | 114.8 | V152 G155 R159 | V152-R157 HydrophobicContact CG1-CG 3.4Å; V152-R157 VanDerWaalsContact CG1-CG 3.4Å; G155-R157 VanDerWaalsContact C-N 3.3Å; G155-R157 PolarHBondContact O-N 2.85Å; R157-R159 PolarHBondContact O-N 3.46Å |
| 158 | H | 90.9 | Very high | 88 | Confident | 92 Ų | 92 | 95.6 Ų | 95.6 | 43% | 0.426 | 48% | 0.478 | S | S | . | . | trans | -94.2 | 93.1 | -169.9 | -165.5 | 84 | 0 | 0 | 0 | 111.5 | G155 T156 R160 M161 E162 | G155-H158 PolarHBondContact O-N 3.34Å; T156-H158 VanDerWaalsContact C-N 3.31Å; T156-H158 PolarHBondContact O-N 2.9Å; H158-R160 VanDerWaalsContact C-N 3.27Å; H158-R160 PolarHBondContact O-N 2.98Å; H158-M161 HydrophobicContact CB-CB 4.27Å; H158-M161 HydrophobicContact CB-CE 3.44Å; H158-M161 VanDerWaalsContact CB-CE 3.44Å; H158-M161 VanDerWaalsContact CD2-CG 3.48Å; H158-M161 WeakPolarHBondContact CD2-CG 3.38Å; H158-M161 PolarHBondContact CD2-N 2.92Å; H158-M161 PolarHBondContact O-N 2.62Å; H158-E162 PolarHBondContact O-N 2.85Å | ||
| 159 | R | 90.9 | Very high | 87.8 | Confident | 217 Ų | 217 | 90.8 Ų | 90.8 | 82% | 0.819 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -45.3 | -42.8 | -173.8 | -66 | -175.2 | 176.3 | -177.4 | -1.8 | 115.2 | R157 A163 | R157-R159 PolarHBondContact O-N 3.46Å; R159-A163 WeakPolarHBondContact O-CB 3.28Å; R159-A163 PolarHBondContact O-N 2.98Å |
| 160 | R | 92 | Very high | 87.7 | Confident | 208 Ų | 208 | 90 Ų | 90 | 79% | 0.785 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -67.7 | -41.3 | -179.7 | -69 | -175.5 | -174.3 | 155.7 | 1.4 | 112.6 | H158 T164 | H158-R160 VanDerWaalsContact C-N 3.27Å; H158-R160 PolarHBondContact O-N 2.98Å; R160-T164 PolarHBondContact O-N 3.04Å; R160-T164 PolarHBondContact O-OG1 3Å |
| 161 | M | 86 | Confident | 87.6 | Confident | 107 Ų | 107 | 88.9 Ų | 88.9 | 53% | 0.527 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -72 | -39.5 | 178.6 | -78.6 | -168.1 | -62.4 | 0 | 0 | 110 | H158 T164 R165 | H158-M161 HydrophobicContact CB-CB 4.27Å; H158-M161 HydrophobicContact CB-CE 3.44Å; H158-M161 VanDerWaalsContact CB-CE 3.44Å; H158-M161 VanDerWaalsContact CD2-CG 3.48Å; H158-M161 WeakPolarHBondContact CD2-CG 3.38Å; H158-M161 PolarHBondContact CD2-N 2.92Å; H158-M161 PolarHBondContact O-N 2.62Å; M161-T164 PolarHBondContact O-N 3.46Å; M161-R165 PolarHBondContact O-N 3.22Å |
| 162 | E | 86.5 | Confident | 87.5 | Confident | 64 Ų | 64 | 82.9 Ų | 82.9 | 30% | 0.299 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 176.1 | -164.5 | -170.9 | -177.3 | 0 | 0 | 111.7 | H158 T164 R165 L166 | H158-E162 PolarHBondContact O-N 2.85Å; E162-T164 VanDerWaalsContact C-N 3.33Å; E162-T164 PolarHBondContact O-N 2.89Å; E162-R165 WeakPolarHBondContact O-CB 3.15Å; E162-R165 PolarHBondContact O-N 2.79Å; E162-R165 IonicContact OE1-NH2 3.58Å; E162-R165 PolarHBondContact OE1-NH2 2.88Å; E162-L166 HydrophobicContact CG-CD1 4.43Å; E162-L166 WeakPolarHBondContact O-CG 3.3Å; E162-L166 PolarHBondContact O-N 3.27Å |
| 163 | A | 89.2 | Confident | 87.5 | Confident | 51 Ų | 51 | 85 Ų | 85 | 42% | 0.421 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.3 | -39.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R159 R167 | R159-A163 WeakPolarHBondContact O-CB 3.28Å; R159-A163 PolarHBondContact O-N 2.98Å; A163-R167 WeakPolarHBondContact O-CB 3.45Å; A163-R167 PolarHBondContact O-N 2.97Å |
| 164 | T | 87.5 | Confident | 87.8 | Confident | 65 Ų | 65 | 87.3 Ų | 87.3 | 40% | 0.399 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.4 | -40.7 | 173.3 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | R160 M161 E162 R167 K168 | R160-T164 PolarHBondContact O-N 3.04Å; R160-T164 PolarHBondContact O-OG1 3Å; M161-T164 PolarHBondContact O-N 3.46Å; E162-T164 VanDerWaalsContact C-N 3.33Å; E162-T164 PolarHBondContact O-N 2.89Å; T164-R167 PolarHBondContact O-N 3.35Å; T164-K168 WeakPolarHBondContact O-CG 3.35Å; T164-K168 PolarHBondContact O-N 2.74Å |
| 165 | R | 87.9 | Confident | 88.1 | Confident | 50 Ų | 50 | 84.1 Ų | 84.1 | 19% | 0.189 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.7 | -56.2 | 174.2 | 175.5 | -167.4 | 68.6 | 80.3 | -1.4 | 110.4 | M161 E162 R167 K168 E169 | M161-R165 PolarHBondContact O-N 3.22Å; E162-R165 WeakPolarHBondContact O-CB 3.15Å; E162-R165 PolarHBondContact O-N 2.79Å; E162-R165 IonicContact OE1-NH2 3.58Å; E162-R165 PolarHBondContact OE1-NH2 2.88Å; R165-R167 PolarHBondContact O-N 3.15Å; R165-K168 WeakPolarHBondContact O-CB 3.47Å; R165-K168 PolarHBondContact O-N 3.5Å; R165-E169 WeakPolarHBondContact CD-OE1 3.46Å; R165-E169 HydrophobicContact CG-CG 4.31Å; R165-E169 WeakPolarHBondContact CG-OE1 3.24Å; R165-E169 IonicContact CZ-OE1 3.93Å; R165-E169 IonicContact CZ-OE2 3.58Å; R165-E169 IonicContact NE-OE1 3.44Å; R165-E169 IonicContact NH1-OE1 2.74Å; R165-E169 PolarHBondContact NH1-OE1 3.41Å; R165-E169 IonicContact NH1-OE2 3.66Å; R165-E169 PolarHBondContact NH1-OE2 3.24Å; R165-E169 WeakPolarHBondContact O-CG 3.36Å; R165-E169 PolarHBondContact O-N 2.89Å |
| 166 | L | 88.1 | Confident | 88.5 | Confident | 71 Ų | 71 | 84.2 Ų | 84.2 | 37% | 0.372 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -55.8 | -39.2 | 179.1 | -72.9 | 170 | 0 | 0 | 0 | 111.8 | E162 E169 N170 | E162-L166 HydrophobicContact CG-CD1 4.43Å; E162-L166 WeakPolarHBondContact O-CG 3.3Å; E162-L166 PolarHBondContact O-N 3.27Å; L166-E169 PolarHBondContact O-N 3.37Å; L166-N170 VanDerWaalsContact O-CB 3.24Å; L166-N170 WeakPolarHBondContact O-CB 3.43Å; L166-N170 PolarHBondContact O-N 3.4Å; L166-N170 PolarHBondContact O-ND2 3.45Å; L166-N170 PolarHBondContact O-OD1 2.93Å |
| 167 | R | 90.2 | Very high | 88.8 | Confident | 155 Ų | 155 | 88.6 Ų | 88.6 | 59% | 0.585 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.9 | -47 | 174.1 | -174.7 | -170.8 | -62.1 | 152.4 | -1.2 | 112.3 | A163 T164 R165 Q171 | A163-R167 WeakPolarHBondContact O-CB 3.45Å; A163-R167 PolarHBondContact O-N 2.97Å; T164-R167 PolarHBondContact O-N 3.35Å; R165-R167 PolarHBondContact O-N 3.15Å; R167-Q171 WeakPolarHBondContact O-CB 3.42Å; R167-Q171 PolarHBondContact O-N 3.36Å |
| 168 | K | 88.8 | Confident | 89 | Confident | 58 Ų | 58 | 86.5 Ų | 86.5 | 25% | 0.252 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 178.9 | -75.9 | -175.2 | 163.5 | -156.5 | 0 | 111.8 | L112 E116 T164 R165 Q171 I172 | L112-K168 HydrophobicContact CD2-CB 3.96Å; L112-K168 HydrophobicContact CD2-CD 3.87Å; L112-K168 HydrophobicContact CD2-CG 3.78Å; E116-K168 IonicContact OE1-NZ 2.9Å; E116-K168 PolarHBondContact OE1-NZ 2.82Å; E116-K168 IonicContact OE2-NZ 3.88Å; E116-K168 PolarHBondContact OE2-NZ 3.27Å; T164-K168 WeakPolarHBondContact O-CG 3.35Å; T164-K168 PolarHBondContact O-N 2.74Å; R165-K168 WeakPolarHBondContact O-CB 3.47Å; R165-K168 PolarHBondContact O-N 3.5Å; K168-Q171 WeakPolarHBondContact O-CB 3.19Å; K168-Q171 PolarHBondContact O-N 3.18Å; K168-I172 WeakPolarHBondContact O-CD1 3.43Å; K168-I172 PolarHBondContact O-N 2.94Å |
| 169 | E | 88.4 | Confident | 88.8 | Confident | 24 Ų | 24 | 85.3 Ų | 85.3 | 11% | 0.112 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65 | -48.4 | 176.8 | -65.4 | 179.8 | -171.6 | 0 | 0 | 110.8 | I130 R165 L166 Q171 I172 Y173 | I130-E169 HydrophobicContact CD1-CB 4.29Å; I130-E169 HydrophobicContact CD1-CG 3.66Å; R165-E169 WeakPolarHBondContact CD-OE1 3.46Å; R165-E169 HydrophobicContact CG-CG 4.31Å; R165-E169 WeakPolarHBondContact CG-OE1 3.24Å; R165-E169 IonicContact CZ-OE1 3.93Å; R165-E169 IonicContact CZ-OE2 3.58Å; R165-E169 IonicContact NE-OE1 3.44Å; R165-E169 IonicContact NH1-OE1 2.74Å; R165-E169 PolarHBondContact NH1-OE1 3.41Å; R165-E169 IonicContact NH1-OE2 3.66Å; R165-E169 PolarHBondContact NH1-OE2 3.24Å; R165-E169 WeakPolarHBondContact O-CG 3.36Å; R165-E169 PolarHBondContact O-N 2.89Å; L166-E169 PolarHBondContact O-N 3.37Å; E169-Q171 PolarHBondContact O-N 3.18Å; E169-I172 PolarHBondContact O-N 3.04Å; E169-Y173 HydrophobicContact CB-CD2 4.33Å; E169-Y173 HydrophobicContact CB-CE2 4.1Å; E169-Y173 WeakPolarHBondContact O-CD2 3.4Å; E169-Y173 PolarHBondContact O-N 3.22Å |
| 170 | N | 90.9 | Very high | 88.6 | Confident | 96 Ų | 96 | 80.7 Ų | 80.7 | 51% | 0.513 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.9 | -30.5 | 177 | -70.7 | -8.2 | 0 | 0 | 0 | 112.8 | L166 I172 S174 | L166-N170 VanDerWaalsContact O-CB 3.24Å; L166-N170 WeakPolarHBondContact O-CB 3.43Å; L166-N170 PolarHBondContact O-N 3.4Å; L166-N170 PolarHBondContact O-ND2 3.45Å; L166-N170 PolarHBondContact O-OD1 2.93Å; N170-I172 VanDerWaalsContact C-N 3.3Å; N170-S174 WeakPolarHBondContact O-CB 3.41Å; N170-S174 PolarHBondContact O-N 3.32Å |
| 171 | Q | 90.4 | Very high | 88.5 | Confident | 35 Ų | 35 | 75.5 Ų | 75.5 | 16% | 0.164 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.7 | -38.2 | 174 | -178.4 | 178.3 | 4.4 | 0 | 0 | 111.5 | Y108 R167 K168 E169 A175 | Y108-Q171 WeakPolarHBondContact O-CG 3.5Å; Y108-Q171 PolarHBondContact O-NE2 3.03Å; R167-Q171 WeakPolarHBondContact O-CB 3.42Å; R167-Q171 PolarHBondContact O-N 3.36Å; K168-Q171 WeakPolarHBondContact O-CB 3.19Å; K168-Q171 PolarHBondContact O-N 3.18Å; E169-Q171 PolarHBondContact O-N 3.18Å; Q171-A175 VanDerWaalsContact O-CB 3.3Å; Q171-A175 WeakPolarHBondContact O-CB 3.36Å; Q171-A175 PolarHBondContact O-N 3.44Å; Q171-A175 VanDerWaalsContact O-N 3.1Å |
| 172 | I | 88.8 | Confident | 88.7 | Confident | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -76.6 | -44.2 | 178 | -59.8 | 154 | 0 | 0 | 0 | 110.3 | Y108 L112 M120 A121 I124 K168 E169 N170 S174 A175 E176 | Y108-I172 HydrophobicContact CD1-CB 4.38Å; Y108-I172 HydrophobicContact CD1-CG1 4.25Å; Y108-I172 HydrophobicContact CD1-CG2 4.01Å; Y108-I172 HydrophobicContact CE1-CG2 3.88Å; L112-I172 HydrophobicContact CD1-CD1 4.09Å; L112-I172 HydrophobicContact CD1-CG1 3.8Å; M120-I172 HydrophobicContact CB-CD1 3.33Å; M120-I172 HydrophobicContact CG-CD1 3.9Å; M120-I172 HydrophobicContact SD-CD1 3.3Å; M120-I172 WeakPolarHBondContact SD-CD1 3.46Å; A121-I172 HydrophobicContact CB-CG2 3.98Å; I124-I172 HydrophobicContact CD1-CB 4.01Å; I124-I172 HydrophobicContact CD1-CG2 3.43Å; I124-I172 VanDerWaalsContact CD1-CG2 3.43Å; K168-I172 WeakPolarHBondContact O-CD1 3.43Å; K168-I172 PolarHBondContact O-N 2.94Å; E169-I172 PolarHBondContact O-N 3.04Å; N170-I172 VanDerWaalsContact C-N 3.3Å; I172-S174 VanDerWaalsContact C-N 3.32Å; I172-S174 PolarHBondContact O-N 3.43Å; I172-A175 PolarHBondContact O-N 2.75Å; I172-E176 WeakPolarHBondContact O-CB 3.16Å; I172-E176 PolarHBondContact O-N 3.39Å |
| 173 | Y | 87.2 | Confident | 88.8 | Confident | 109 Ų | 109 | 72.9 Ų | 72.9 | 43% | 0.427 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -56.6 | -47 | 174.2 | -72.4 | -58.9 | 0 | 0 | 0 | 111.5 | I124 E169 A175 E176 E177 | I124-Y173 HydrophobicContact CD1-CD1 4.31Å; I124-Y173 HydrophobicContact CD1-CE1 4.01Å; I124-Y173 HydrophobicContact CG1-CE1 4.06Å; I124-Y173 HydrophobicContact CG2-CD1 4.22Å; I124-Y173 HydrophobicContact CG2-CE1 3.73Å; E169-Y173 HydrophobicContact CB-CD2 4.33Å; E169-Y173 HydrophobicContact CB-CE2 4.1Å; E169-Y173 WeakPolarHBondContact O-CD2 3.4Å; E169-Y173 PolarHBondContact O-N 3.22Å; Y173-A175 PolarHBondContact O-N 2.88Å; Y173-E176 PolarHBondContact O-N 2.91Å; Y173-E177 WeakPolarHBondContact O-CB 3.47Å; Y173-E177 PolarHBondContact O-N 3.16Å |
| 174 | S | 90.3 | Very high | 88.8 | Confident | 73 Ų | 73 | 75.8 Ų | 75.8 | 51% | 0.51 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 178.5 | -178.2 | 0 | 0 | 0 | 0 | 112.5 | N170 I172 K178 | N170-S174 WeakPolarHBondContact O-CB 3.41Å; N170-S174 PolarHBondContact O-N 3.32Å; I172-S174 VanDerWaalsContact C-N 3.32Å; I172-S174 PolarHBondContact O-N 3.43Å; S174-K178 WeakPolarHBondContact O-CB 3.39Å; S174-K178 PolarHBondContact O-N 2.87Å |
| 175 | A | 89.6 | Confident | 89 | Confident | 17 Ų | 17 | 76 Ų | 76 | 14% | 0.14 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.9 | -45 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V106 Y108 Q171 I172 Y173 R179 | V106-A175 HydrophobicContact CG1-CB 4.17Å; Y108-A175 HydrophobicContact CD1-CB 3.72Å; Y108-A175 HydrophobicContact CE1-CB 4.24Å; Q171-A175 VanDerWaalsContact O-CB 3.3Å; Q171-A175 WeakPolarHBondContact O-CB 3.36Å; Q171-A175 PolarHBondContact O-N 3.44Å; Q171-A175 VanDerWaalsContact O-N 3.1Å; I172-A175 PolarHBondContact O-N 2.75Å; Y173-A175 PolarHBondContact O-N 2.88Å; A175-R179 WeakPolarHBondContact O-CB 3.3Å; A175-R179 PolarHBondContact O-N 3.18Å |
| 176 | E | 86.7 | Confident | 89.2 | Confident | 40 Ų | 40 | 79.9 Ų | 79.9 | 19% | 0.187 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -71.1 | -40.7 | -179.8 | -165.5 | 59.1 | -152.3 | 0 | 0 | 111.3 | I172 Y173 K178 R179 M180 | I172-E176 WeakPolarHBondContact O-CB 3.16Å; I172-E176 PolarHBondContact O-N 3.39Å; Y173-E176 PolarHBondContact O-N 2.91Å; E176-K178 PolarHBondContact O-N 3.33Å; E176-R179 WeakPolarHBondContact O-CB 3.06Å; E176-R179 PolarHBondContact O-N 3.42Å; E176-R179 WeakPolarHBondContact OE1-CD 3.47Å; E176-R179 IonicContact OE1-CZ 2.67Å; E176-R179 IonicContact OE1-NH1 3.34Å; E176-R179 PolarHBondContact OE1-NH1 3.3Å; E176-R179 WeakPolarHBondContact OE2-CD 3.19Å; E176-R179 IonicContact OE2-NH1 3.5Å; E176-R179 PolarHBondContact OE2-NH1 3.47Å; E176-M180 HydrophobicContact CG-CG 4.32Å; E176-M180 WeakPolarHBondContact O-CB 3.34Å; E176-M180 WeakPolarHBondContact O-CG 3.47Å; E176-M180 PolarHBondContact O-N 3.15Å |
| 177 | E | 88.9 | Confident | 89.4 | Confident | 125 Ų | 125 | 81.5 Ų | 81.5 | 58% | 0.584 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -58.7 | -48.2 | 173.3 | -177.3 | -179 | -165.6 | 0 | 0 | 111.1 | Y173 R179 M180 L181 | Y173-E177 WeakPolarHBondContact O-CB 3.47Å; Y173-E177 PolarHBondContact O-N 3.16Å; E177-R179 VanDerWaalsContact C-N 3.29Å; E177-R179 PolarHBondContact O-N 2.97Å; E177-M180 PolarHBondContact O-N 3.46Å; E177-L181 HydrophobicContact CG-CD1 4.01Å; E177-L181 WeakPolarHBondContact O-CB 3.45Å; E177-L181 WeakPolarHBondContact O-CG 3.44Å; E177-L181 PolarHBondContact O-N 3.45Å |
| 178 | K | 90.2 | Very high | 89.5 | Confident | 158 Ų | 158 | 77.9 Ų | 77.9 | 69% | 0.687 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -59.9 | -40.1 | 176 | -176.5 | 177.2 | -178.7 | 179.7 | 0 | 111.8 | S174 E176 S182 | S174-K178 WeakPolarHBondContact O-CB 3.39Å; S174-K178 PolarHBondContact O-N 2.87Å; E176-K178 PolarHBondContact O-N 3.33Å; K178-S182 VanDerWaalsContact O-CB 3.32Å; K178-S182 WeakPolarHBondContact O-CB 3.21Å; K178-S182 PolarHBondContact O-N 2.91Å |
| 179 | R | 86.6 | Confident | 89.7 | Confident | 68 Ų | 68 | 83.1 Ų | 83.1 | 26% | 0.257 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.2 | -47.9 | 176.6 | -174.6 | -156.2 | -171.3 | -166 | 3.3 | 111 | V106 A175 E176 E177 S182 M183 | V106-R179 VanDerWaalsContact CG2-CD 3.48Å; V106-R179 HydrophobicContact CG2-CG 4.36Å; V106-R179 VanDerWaalsContact CG2-NE 3.33Å; A175-R179 WeakPolarHBondContact O-CB 3.3Å; A175-R179 PolarHBondContact O-N 3.18Å; E176-R179 WeakPolarHBondContact O-CB 3.06Å; E176-R179 PolarHBondContact O-N 3.42Å; E176-R179 WeakPolarHBondContact OE1-CD 3.47Å; E176-R179 IonicContact OE1-CZ 2.67Å; E176-R179 IonicContact OE1-NH1 3.34Å; E176-R179 PolarHBondContact OE1-NH1 3.3Å; E176-R179 WeakPolarHBondContact OE2-CD 3.19Å; E176-R179 IonicContact OE2-NH1 3.5Å; E176-R179 PolarHBondContact OE2-NH1 3.47Å; E177-R179 VanDerWaalsContact C-N 3.29Å; E177-R179 PolarHBondContact O-N 2.97Å; R179-S182 PolarHBondContact O-N 2.88Å; R179-M183 VanDerWaalsContact O-CG 3.28Å; R179-M183 WeakPolarHBondContact O-CG 3.12Å; R179-M183 PolarHBondContact O-N 2.73Å |
| 180 | M | 87.2 | Confident | 90 | Very high | 119 Ų | 119 | 84.6 Ų | 84.6 | 59% | 0.586 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61.2 | -45.6 | 179.4 | -71.2 | -60.9 | -72.1 | 0 | 0 | 111.1 | E176 E177 S182 M183 F184 | E176-M180 HydrophobicContact CG-CG 4.32Å; E176-M180 WeakPolarHBondContact O-CB 3.34Å; E176-M180 WeakPolarHBondContact O-CG 3.47Å; E176-M180 PolarHBondContact O-N 3.15Å; E177-M180 PolarHBondContact O-N 3.46Å; M180-S182 PolarHBondContact O-N 2.79Å; M180-M183 PolarHBondContact O-N 3.47Å; M180-F184 WeakPolarHBondContact O-CB 3.43Å; M180-F184 PolarHBondContact O-N 3.11Å |
| 181 | L | 89.6 | Confident | 90.2 | Very high | 99 Ų | 99 | 85.7 Ų | 85.7 | 52% | 0.518 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 174.5 | -73 | 169.5 | 0 | 0 | 0 | 112.5 | E177 S185 | E177-L181 HydrophobicContact CG-CD1 4.01Å; E177-L181 WeakPolarHBondContact O-CB 3.45Å; E177-L181 WeakPolarHBondContact O-CG 3.44Å; E177-L181 PolarHBondContact O-N 3.45Å; L181-S185 WeakPolarHBondContact O-CB 3.34Å; L181-S185 PolarHBondContact O-N 3.26Å; L181-S185 PolarHBondContact O-OG 3.37Å |
| 182 | S | 89 | Confident | 90.4 | Very high | 50 Ų | 50 | 90.4 Ų | 90.4 | 35% | 0.35 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67 | -42.7 | 177.2 | -172.9 | 0 | 0 | 0 | 0 | 112.1 | K178 R179 M180 S185 K186 | K178-S182 VanDerWaalsContact O-CB 3.32Å; K178-S182 WeakPolarHBondContact O-CB 3.21Å; K178-S182 PolarHBondContact O-N 2.91Å; R179-S182 PolarHBondContact O-N 2.88Å; M180-S182 PolarHBondContact O-N 2.79Å; S182-S185 PolarHBondContact O-N 3.43Å; S182-K186 WeakPolarHBondContact O-CB 3.21Å; S182-K186 VanDerWaalsContact O-CG 3.29Å; S182-K186 WeakPolarHBondContact O-CG 3.22Å; S182-K186 PolarHBondContact O-N 3.38Å |
| 183 | M | 88.4 | Confident | 90.7 | Very high | 66 Ų | 66 | 94.4 Ų | 94.4 | 33% | 0.325 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 176.1 | -69.8 | -66.2 | 168.6 | 0 | 0 | 110.7 | K104 R179 M180 K186 E187 | K104-M183 HydrophobicContact CD-CE 3.93Å; K104-M183 HydrophobicContact CG-CE 4.29Å; R179-M183 VanDerWaalsContact O-CG 3.28Å; R179-M183 WeakPolarHBondContact O-CG 3.12Å; R179-M183 PolarHBondContact O-N 2.73Å; M180-M183 PolarHBondContact O-N 3.47Å; M183-K186 PolarHBondContact O-N 3.1Å; M183-E187 WeakPolarHBondContact O-CB 3.36Å; M183-E187 PolarHBondContact O-N 2.99Å |
| 184 | F | 89.2 | Confident | 91.1 | Very high | 112 Ų | 112 | 93.6 Ų | 93.6 | 49% | 0.491 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.4 | -47.9 | 175.6 | -175.8 | -102.1 | 0 | 0 | 0 | 111.9 | M180 K186 E187 E188 | M180-F184 WeakPolarHBondContact O-CB 3.43Å; M180-F184 PolarHBondContact O-N 3.11Å; F184-K186 VanDerWaalsContact C-N 3.34Å; F184-K186 PolarHBondContact O-N 3.45Å; F184-E187 PolarHBondContact O-N 2.93Å; F184-E188 HydrophobicContact CD1-CG 4.29Å; F184-E188 HydrophobicContact CE1-CG 3.92Å; F184-E188 WeakPolarHBondContact CE1-OE1 3.39Å; F184-E188 HydrophobicContact CE2-CG 4.37Å; F184-E188 HydrophobicContact CZ-CG 3.97Å; F184-E188 WeakPolarHBondContact CZ-OE1 3.37Å; F184-E188 WeakPolarHBondContact O-CG 3.3Å; F184-E188 PolarHBondContact O-N 2.83Å |
| 185 | S | 92.6 | Very high | 91.3 | Very high | 69 Ų | 69 | 93.8 Ų | 93.8 | 48% | 0.483 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.9 | -40.1 | 178.3 | -58.2 | 0 | 0 | 0 | 0 | 112.7 | L181 S182 R189 | L181-S185 WeakPolarHBondContact O-CB 3.34Å; L181-S185 PolarHBondContact O-N 3.26Å; L181-S185 PolarHBondContact O-OG 3.37Å; S182-S185 PolarHBondContact O-N 3.43Å; S185-R189 VanDerWaalsContact O-CB 3.28Å; S185-R189 WeakPolarHBondContact O-CB 3.48Å; S185-R189 PolarHBondContact O-N 3.48Å |
| 186 | K | 91.9 | Very high | 91.6 | Very high | 133 Ų | 133 | 98 Ų | 98 | 58% | 0.578 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.9 | -42.6 | 176.2 | -74.7 | 177.7 | -178.3 | -174 | 0 | 111.6 | S182 M183 F184 R189 S190 | S182-K186 WeakPolarHBondContact O-CB 3.21Å; S182-K186 VanDerWaalsContact O-CG 3.29Å; S182-K186 WeakPolarHBondContact O-CG 3.22Å; S182-K186 PolarHBondContact O-N 3.38Å; M183-K186 PolarHBondContact O-N 3.1Å; F184-K186 VanDerWaalsContact C-N 3.34Å; F184-K186 PolarHBondContact O-N 3.45Å; K186-R189 PolarHBondContact O-N 3.21Å; K186-S190 WeakPolarHBondContact O-CB 3.39Å; K186-S190 PolarHBondContact O-N 2.99Å |
| 187 | E | 92.2 | Very high | 92 | Very high | 104 Ų | 104 | 100.1 Ų | 100.1 | 49% | 0.486 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66 | -44.8 | 178.8 | -168.6 | -175.3 | 161.4 | 0 | 0 | 111.4 | M183 F184 R189 S190 K191 | M183-E187 WeakPolarHBondContact O-CB 3.36Å; M183-E187 PolarHBondContact O-N 2.99Å; F184-E187 PolarHBondContact O-N 2.93Å; E187-R189 VanDerWaalsContact C-N 3.35Å; E187-R189 PolarHBondContact O-N 2.68Å; E187-S190 PolarHBondContact O-N 3.32Å; E187-K191 HydrophobicContact CG-CD 4.47Å; E187-K191 WeakPolarHBondContact O-CG 3.39Å; E187-K191 PolarHBondContact O-N 3.33Å; E187-K191 VanDerWaalsContact OE1-CE 3.22Å; E187-K191 WeakPolarHBondContact OE1-CE 3.26Å; E187-K191 IonicContact OE1-NZ 3.95Å; E187-K191 PolarHBondContact OE1-NZ 2.89Å |
| 188 | E | 92.6 | Very high | 92.3 | Very high | 80 Ų | 80 | 96.4 Ų | 96.4 | 37% | 0.374 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 174.2 | -75.6 | -162.6 | 155.2 | 0 | 0 | 112.3 | F184 K191 K192 | F184-E188 HydrophobicContact CD1-CG 4.29Å; F184-E188 HydrophobicContact CE1-CG 3.92Å; F184-E188 WeakPolarHBondContact CE1-OE1 3.39Å; F184-E188 HydrophobicContact CE2-CG 4.37Å; F184-E188 HydrophobicContact CZ-CG 3.97Å; F184-E188 WeakPolarHBondContact CZ-OE1 3.37Å; F184-E188 WeakPolarHBondContact O-CG 3.3Å; F184-E188 PolarHBondContact O-N 2.83Å; E188-K191 PolarHBondContact O-N 3.36Å; E188-K192 WeakPolarHBondContact O-CG 3.36Å; E188-K192 PolarHBondContact O-N 3.14Å |
| 189 | R | 92.9 | Very high | 92.5 | Very high | 168 Ų | 168 | 94 Ų | 94 | 63% | 0.634 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.1 | -45.9 | 177.4 | -178.2 | 174.4 | 175.9 | 161.1 | 1.8 | 111.3 | S185 K186 E187 K191 K192 E193 | S185-R189 VanDerWaalsContact O-CB 3.28Å; S185-R189 WeakPolarHBondContact O-CB 3.48Å; S185-R189 PolarHBondContact O-N 3.48Å; K186-R189 PolarHBondContact O-N 3.21Å; E187-R189 VanDerWaalsContact C-N 3.35Å; E187-R189 PolarHBondContact O-N 2.68Å; R189-K191 VanDerWaalsContact C-N 3.35Å; R189-K191 PolarHBondContact O-N 3.43Å; R189-K192 PolarHBondContact O-N 3.18Å; R189-E193 HydrophobicContact CG-CG 4.37Å; R189-E193 VanDerWaalsContact CG-OE1 3.28Å; R189-E193 WeakPolarHBondContact CG-OE1 3.36Å; R189-E193 IonicContact CZ-OE1 3.64Å; R189-E193 IonicContact NE-OE1 2.78Å; R189-E193 PolarHBondContact NE-OE1 3.27Å; R189-E193 IonicContact NH2-OE1 3.61Å; R189-E193 WeakPolarHBondContact O-CB 3.27Å; R189-E193 WeakPolarHBondContact O-CG 3.47Å; R189-E193 PolarHBondContact O-N 3.39Å |
| 190 | S | 93.8 | Very high | 93 | Very high | 55 Ų | 55 | 96.7 Ų | 96.7 | 39% | 0.385 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 176.9 | 179.5 | 0 | 0 | 0 | 0 | 112 | K186 E187 E193 N194 | K186-S190 WeakPolarHBondContact O-CB 3.39Å; K186-S190 PolarHBondContact O-N 2.99Å; E187-S190 PolarHBondContact O-N 3.32Å; S190-E193 PolarHBondContact O-N 3.41Å; S190-N194 WeakPolarHBondContact O-CB 3.43Å; S190-N194 PolarHBondContact O-N 2.71Å; S190-N194 PolarHBondContact O-ND2 3.07Å; S190-N194 VanDerWaalsContact O-ND2 3.17Å |
| 191 | K | 95.3 | Very high | 93.3 | Very high | 119 Ų | 119 | 99.6 Ų | 99.6 | 52% | 0.517 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 173.2 | -74.2 | 172.7 | -176.1 | 166.6 | 0 | 111.7 | E187 E188 R189 N194 V195 | E187-K191 HydrophobicContact CG-CD 4.47Å; E187-K191 WeakPolarHBondContact O-CG 3.39Å; E187-K191 PolarHBondContact O-N 3.33Å; E187-K191 VanDerWaalsContact OE1-CE 3.22Å; E187-K191 WeakPolarHBondContact OE1-CE 3.26Å; E187-K191 IonicContact OE1-NZ 3.95Å; E187-K191 PolarHBondContact OE1-NZ 2.89Å; E188-K191 PolarHBondContact O-N 3.36Å; R189-K191 VanDerWaalsContact C-N 3.35Å; R189-K191 PolarHBondContact O-N 3.43Å; K191-N194 PolarHBondContact O-N 2.77Å; K191-V195 WeakPolarHBondContact O-CG2 3.4Å; K191-V195 PolarHBondContact O-N 2.89Å; K191-V195 VanDerWaalsContact O-N 3.1Å |
| 192 | K | 95.6 | Very high | 93.5 | Very high | 133 Ų | 133 | 100.9 Ų | 100.9 | 58% | 0.578 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.3 | -45.9 | 176.6 | -73 | 170.9 | -178.8 | 165.8 | 0 | 111.8 | E188 R189 V195 I196 | E188-K192 WeakPolarHBondContact O-CG 3.36Å; E188-K192 PolarHBondContact O-N 3.14Å; R189-K192 PolarHBondContact O-N 3.18Å; K192-V195 PolarHBondContact O-N 2.68Å; K192-I196 WeakPolarHBondContact O-CG1 3.36Å; K192-I196 PolarHBondContact O-N 3.07Å |
| 193 | E | 95.2 | Very high | 93.7 | Very high | 85 Ų | 85 | 104.1 Ų | 104.1 | 40% | 0.397 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 177.2 | -73.4 | 172 | -176.1 | 0 | 0 | 111.5 | R189 S190 V195 I196 L197 | R189-E193 HydrophobicContact CG-CG 4.37Å; R189-E193 VanDerWaalsContact CG-OE1 3.28Å; R189-E193 WeakPolarHBondContact CG-OE1 3.36Å; R189-E193 IonicContact CZ-OE1 3.64Å; R189-E193 IonicContact NE-OE1 2.78Å; R189-E193 PolarHBondContact NE-OE1 3.27Å; R189-E193 IonicContact NH2-OE1 3.61Å; R189-E193 WeakPolarHBondContact O-CB 3.27Å; R189-E193 WeakPolarHBondContact O-CG 3.47Å; R189-E193 PolarHBondContact O-N 3.39Å; S190-E193 PolarHBondContact O-N 3.41Å; E193-V195 VanDerWaalsContact C-N 3.33Å; E193-V195 PolarHBondContact O-N 3.42Å; E193-I196 PolarHBondContact O-N 2.78Å; E193-L197 WeakPolarHBondContact O-CB 3.37Å; E193-L197 VanDerWaalsContact O-CG 3.29Å; E193-L197 WeakPolarHBondContact O-CG 3.36Å; E193-L197 PolarHBondContact O-N 3.01Å |
| 194 | N | 94.8 | Very high | 94 | Very high | 92 Ų | 92 | 104.6 Ų | 104.6 | 49% | 0.492 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 177.2 | -73.1 | -24.9 | 0 | 0 | 0 | 112.7 | S190 K191 L197 S198 | S190-N194 WeakPolarHBondContact O-CB 3.43Å; S190-N194 PolarHBondContact O-N 2.71Å; S190-N194 PolarHBondContact O-ND2 3.07Å; S190-N194 VanDerWaalsContact O-ND2 3.17Å; K191-N194 PolarHBondContact O-N 2.77Å; N194-L197 PolarHBondContact O-N 3.26Å; N194-S198 PolarHBondContact O-N 2.95Å |
| 195 | V | 96.1 | Very high | 94.2 | Very high | 77 Ų | 77 | 101.9 Ų | 101.9 | 47% | 0.467 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 174.6 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | K191 K192 E193 L197 S198 Q199 | K191-V195 WeakPolarHBondContact O-CG2 3.4Å; K191-V195 PolarHBondContact O-N 2.89Å; K191-V195 VanDerWaalsContact O-N 3.1Å; K192-V195 PolarHBondContact O-N 2.68Å; E193-V195 VanDerWaalsContact C-N 3.33Å; E193-V195 PolarHBondContact O-N 3.42Å; V195-L197 VanDerWaalsContact C-N 3.35Å; V195-S198 PolarHBondContact O-N 3.45Å; V195-S198 PolarHBondContact O-OG 3.17Å; V195-Q199 VanDerWaalsContact O-CG 3.3Å; V195-Q199 WeakPolarHBondContact O-CG 3.5Å; V195-Q199 PolarHBondContact O-N 3.42Å |
| 196 | I | 95.2 | Very high | 94.3 | Very high | 107 Ų | 107 | 105 Ų | 105 | 55% | 0.549 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 176.9 | -66.2 | 165.9 | 0 | 0 | 0 | 110.4 | K192 E193 Q199 F200 | K192-I196 WeakPolarHBondContact O-CG1 3.36Å; K192-I196 PolarHBondContact O-N 3.07Å; E193-I196 PolarHBondContact O-N 2.78Å; I196-Q199 PolarHBondContact O-N 3.29Å; I196-F200 WeakPolarHBondContact O-CB 3.49Å; I196-F200 PolarHBondContact O-N 3.48Å |
| 197 | L | 95.1 | Very high | 94.3 | Very high | 83 Ų | 83 | 106.4 Ų | 106.4 | 44% | 0.435 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.7 | -38.4 | 176.8 | -72.6 | 174.7 | 0 | 0 | 0 | 112.2 | E193 N194 V195 F200 R201 | E193-L197 WeakPolarHBondContact O-CB 3.37Å; E193-L197 VanDerWaalsContact O-CG 3.29Å; E193-L197 WeakPolarHBondContact O-CG 3.36Å; E193-L197 PolarHBondContact O-N 3.01Å; N194-L197 PolarHBondContact O-N 3.26Å; V195-L197 VanDerWaalsContact C-N 3.35Å; L197-F200 PolarHBondContact O-N 3.4Å; L197-R201 WeakPolarHBondContact O-CB 3.49Å; L197-R201 VanDerWaalsContact O-CG 3.22Å; L197-R201 WeakPolarHBondContact O-CG 3.07Å; L197-R201 PolarHBondContact O-N 2.9Å |
| 198 | S | 95 | Very high | 94.2 | Very high | 48 Ų | 48 | 108.8 Ų | 108.8 | 34% | 0.336 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.6 | -45.5 | 175.3 | 68.8 | 0 | 0 | 0 | 0 | 111.3 | N194 V195 F200 R201 E202 | N194-S198 PolarHBondContact O-N 2.95Å; V195-S198 PolarHBondContact O-N 3.45Å; V195-S198 PolarHBondContact O-OG 3.17Å; S198-F200 VanDerWaalsContact C-N 3.34Å; S198-F200 PolarHBondContact O-N 2.92Å; S198-R201 PolarHBondContact O-N 3.46Å; S198-E202 WeakPolarHBondContact O-CG 3.41Å; S198-E202 PolarHBondContact O-N 2.91Å |
| 199 | Q | 95 | Very high | 93.9 | Very high | 108 Ų | 108 | 113.7 Ų | 113.7 | 51% | 0.505 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.4 | -41.6 | 175.5 | -71.1 | 174 | -11.5 | 0 | 0 | 112.2 | V195 I196 E202 L203 | V195-Q199 VanDerWaalsContact O-CG 3.3Å; V195-Q199 WeakPolarHBondContact O-CG 3.5Å; V195-Q199 PolarHBondContact O-N 3.42Å; I196-Q199 PolarHBondContact O-N 3.29Å; Q199-E202 PolarHBondContact O-N 3.15Å; Q199-L203 WeakPolarHBondContact O-CG 3.48Å; Q199-L203 PolarHBondContact O-N 3.04Å |
| 200 | F | 95.4 | Very high | 92.9 | Very high | 123 Ų | 123 | 115.3 Ų | 115.3 | 54% | 0.539 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.4 | -41.4 | 177.7 | -173.2 | -110.2 | 0 | 0 | 0 | 112.3 | I196 L197 S198 E202 L203 I204 | I196-F200 WeakPolarHBondContact O-CB 3.49Å; I196-F200 PolarHBondContact O-N 3.48Å; L197-F200 PolarHBondContact O-N 3.4Å; S198-F200 VanDerWaalsContact C-N 3.34Å; S198-F200 PolarHBondContact O-N 2.92Å; F200-E202 VanDerWaalsContact C-N 3.32Å; F200-E202 PolarHBondContact O-N 3.37Å; F200-L203 PolarHBondContact O-N 3.21Å; F200-I204 HydrophobicContact CD1-CD1 3.68Å; F200-I204 HydrophobicContact CE1-CD1 3.24Å; F200-I204 HydrophobicContact CE1-CG1 4.23Å; F200-I204 HydrophobicContact CE2-CD1 4.39Å; F200-I204 HydrophobicContact CG-CD1 4.44Å; F200-I204 HydrophobicContact CZ-CD1 3.64Å; F200-I204 HydrophobicContact CZ-CG1 4.28Å; F200-I204 WeakPolarHBondContact O-CG1 3.44Å; F200-I204 PolarHBondContact O-N 3.08Å |
| 201 | R | 94.8 | Very high | 92.9 | Very high | 181 Ų | 181 | 118.3 Ų | 118.3 | 68% | 0.683 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.2 | -41.9 | 173.3 | -74.6 | 170.3 | -178.3 | 171.8 | 1.7 | 111.6 | L197 S198 I204 S205 | L197-R201 WeakPolarHBondContact O-CB 3.49Å; L197-R201 VanDerWaalsContact O-CG 3.22Å; L197-R201 WeakPolarHBondContact O-CG 3.07Å; L197-R201 PolarHBondContact O-N 2.9Å; S198-R201 PolarHBondContact O-N 3.46Å; R201-I204 PolarHBondContact O-N 3.47Å; R201-S205 WeakPolarHBondContact O-CB 3.47Å; R201-S205 PolarHBondContact O-N 3.23Å; R201-S205 PolarHBondContact O-OG 3.26Å |
| 202 | E | 94.2 | Very high | 92.8 | Very high | 125 Ų | 125 | 118.3 Ų | 118.3 | 58% | 0.584 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.8 | -46.6 | 175.7 | -74.3 | 172.2 | -162.1 | 0 | 0 | 111.7 | S198 Q199 F200 I204 S205 K206 | S198-E202 WeakPolarHBondContact O-CG 3.41Å; S198-E202 PolarHBondContact O-N 2.91Å; Q199-E202 PolarHBondContact O-N 3.15Å; F200-E202 VanDerWaalsContact C-N 3.32Å; F200-E202 PolarHBondContact O-N 3.37Å; E202-I204 PolarHBondContact O-N 3.06Å; E202-S205 PolarHBondContact O-N 3.3Å; E202-S205 PolarHBondContact O-OG 3.47Å; E202-K206 WeakPolarHBondContact O-CB 3.23Å; E202-K206 PolarHBondContact O-N 3.24Å |
| 203 | L | 93.6 | Very high | 92.6 | Very high | 119 Ų | 119 | 117.4 Ų | 117.4 | 62% | 0.623 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.6 | -43.1 | 177.4 | -71.5 | 174.1 | 0 | 0 | 0 | 113 | Q199 F200 K206 K207 | Q199-L203 WeakPolarHBondContact O-CG 3.48Å; Q199-L203 PolarHBondContact O-N 3.04Å; F200-L203 PolarHBondContact O-N 3.21Å; L203-K206 PolarHBondContact O-N 3.48Å; L203-K207 PolarHBondContact O-N 3.19Å |
| 204 | I | 94.4 | Very high | 92.5 | Very high | 76 Ų | 76 | 119.4 Ų | 119.4 | 39% | 0.39 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.9 | -47.4 | 174.5 | -69.3 | 172.4 | 0 | 0 | 0 | 110.2 | F200 R201 E202 K206 K207 M208 | F200-I204 HydrophobicContact CD1-CD1 3.68Å; F200-I204 HydrophobicContact CE1-CD1 3.24Å; F200-I204 HydrophobicContact CE1-CG1 4.23Å; F200-I204 HydrophobicContact CE2-CD1 4.39Å; F200-I204 HydrophobicContact CG-CD1 4.44Å; F200-I204 HydrophobicContact CZ-CD1 3.64Å; F200-I204 HydrophobicContact CZ-CG1 4.28Å; F200-I204 WeakPolarHBondContact O-CG1 3.44Å; F200-I204 PolarHBondContact O-N 3.08Å; R201-I204 PolarHBondContact O-N 3.47Å; E202-I204 PolarHBondContact O-N 3.06Å; I204-K206 PolarHBondContact O-N 3.17Å; I204-K207 PolarHBondContact O-N 2.77Å; I204-K207 VanDerWaalsContact O-N 3.12Å; I204-M208 HydrophobicContact CG2-CG 4.24Å; I204-M208 HydrophobicContact CG2-SD 3.99Å; I204-M208 WeakPolarHBondContact O-CG 3.29Å; I204-M208 PolarHBondContact O-N 3.27Å |
| 205 | S | 93.8 | Very high | 92.3 | Very high | 55 Ų | 55 | 121.1 Ų | 121.1 | 39% | 0.385 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.9 | -31.7 | -179.8 | 78.5 | 0 | 0 | 0 | 0 | 112.6 | R201 E202 K209 | R201-S205 WeakPolarHBondContact O-CB 3.47Å; R201-S205 PolarHBondContact O-N 3.23Å; R201-S205 PolarHBondContact O-OG 3.26Å; E202-S205 PolarHBondContact O-N 3.3Å; E202-S205 PolarHBondContact O-OG 3.47Å; S205-K209 WeakPolarHBondContact O-CD 3.42Å; S205-K209 VanDerWaalsContact O-CG 3.28Å; S205-K209 WeakPolarHBondContact O-CG 3.13Å; S205-K209 PolarHBondContact O-N 3.25Å |
| 206 | K | 93.1 | Very high | 92.1 | Very high | 134 Ų | 134 | 124 Ų | 124 | 58% | 0.583 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -70.5 | -45.8 | 173.5 | -172.2 | 179.7 | 177.2 | -175.7 | 0 | 111.1 | E202 L203 I204 M208 K209 E210 | E202-K206 WeakPolarHBondContact O-CB 3.23Å; E202-K206 PolarHBondContact O-N 3.24Å; L203-K206 PolarHBondContact O-N 3.48Å; I204-K206 PolarHBondContact O-N 3.17Å; K206-M208 VanDerWaalsContact C-N 3.3Å; K206-M208 PolarHBondContact O-N 2.78Å; K206-K209 PolarHBondContact O-N 3.17Å; K206-K209 VanDerWaalsContact O-N 3.16Å; K206-E210 PolarHBondContact O-N 3.07Å |
| 207 | K | 92.7 | Very high | 91.8 | Very high | 162 Ų | 162 | 125.2 Ų | 125.2 | 70% | 0.704 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.8 | -26.2 | 178.3 | -172.7 | 171 | -178.7 | 172.8 | 0 | 113.8 | L203 I204 | L203-K207 PolarHBondContact O-N 3.19Å; I204-K207 PolarHBondContact O-N 2.77Å; I204-K207 VanDerWaalsContact O-N 3.12Å |
| 208 | M | 89.1 | Confident | 91.6 | Very high | 155 Ų | 155 | 128.5 Ų | 128.5 | 76% | 0.764 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -14 | 174.4 | -70.3 | -173.6 | 72.7 | 0 | 0 | 113.8 | I204 K206 | I204-M208 HydrophobicContact CG2-CG 4.24Å; I204-M208 HydrophobicContact CG2-SD 3.99Å; I204-M208 WeakPolarHBondContact O-CG 3.29Å; I204-M208 PolarHBondContact O-N 3.27Å; K206-M208 VanDerWaalsContact C-N 3.3Å; K206-M208 PolarHBondContact O-N 2.78Å |
| 209 | K | 87.6 | Confident | 91.3 | Very high | 183 Ų | 183 | 135.2 Ų | 135.2 | 80% | 0.796 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -19.6 | 175.5 | -75.1 | 172.9 | -177.2 | 177.8 | 0 | 112.6 | S205 K206 | S205-K209 WeakPolarHBondContact O-CD 3.42Å; S205-K209 VanDerWaalsContact O-CG 3.28Å; S205-K209 WeakPolarHBondContact O-CG 3.13Å; S205-K209 PolarHBondContact O-N 3.25Å; K206-K209 PolarHBondContact O-N 3.17Å; K206-K209 VanDerWaalsContact O-N 3.16Å |
| 210 | E | 72.1 | Confident | 91 | Very high | 201 Ų | 201 | 137.6 Ų | 137.6 | 94% | 0.939 | 64% | 0.635 | S | S | * | * | trans | -80.4 | 0 | 165.2 | -71.3 | 177.9 | -179.3 | 0 | 0 | 110.3 | K206 | K206-E210 PolarHBondContact O-N 3.07Š|
Retrieved 210 of 210 residues in 169.2 ms
(Link to these results)