| 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 | 39.6 | Very low | 48 | Very low | 235 Ų | 235 | 137.8 Ų | 137.8 | 100% | 1.158 | 85% | 0.848 | S | S | * | * | 0 | 136.6 | 0 | -64.6 | -62.9 | 177.5 | 0 | 0 | 107.3 | |||||
| 2 | P | 57.9 | Low | 47.7 | Very low | 100 Ų | 100 | 146.6 Ų | 146.6 | 65% | 0.649 | 85% | 0.854 | S | S | * | * | -109.3 | 151.1 | -78.7 | 2.9 | 19.3 | 0 | 0 | 0 | 112.1 | |||||
| 3 | L | 45.9 | Very low | 47.5 | Very low | 171 Ų | 171 | 141.2 Ų | 141.2 | 90% | 0.895 | 85% | 0.848 | S | S | * | * | 79.7 | 134.3 | 110.5 | -63.8 | 169.6 | 0 | 0 | 0 | 116.2 | |||||
| 4 | G | 48.1 | Very low | 47.6 | Very low | 75 Ų | 75 | 143.9 Ų | 143.9 | 77% | 0.773 | 85% | 0.848 | S | S | * | * | trans | 160.7 | 69.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 5 | E | 45.7 | Very low | 47.9 | Very low | 164 Ų | 164 | 143.9 Ų | 143.9 | 77% | 0.766 | 85% | 0.85 | S | S | * | * | trans | -63.9 | 149.3 | 170 | -63.3 | 159.9 | 108.9 | 0 | 0 | 111.5 | ||||
| 6 | T | 57.3 | Low | 48 | Very low | 143 Ų | 143 | 145.2 Ų | 145.2 | 88% | 0.877 | 85% | 0.845 | S | S | * | * | -166.3 | 135.1 | 127.8 | 34.9 | 0 | 0 | 0 | 0 | 111 | |||||
| 7 | N | 43.3 | Very low | 47.6 | Very low | 162 Ų | 162 | 143.9 Ų | 143.9 | 87% | 0.866 | 85% | 0.846 | S | S | * | * | trans | -81.5 | 150.1 | -176.2 | -68.4 | -62.8 | 0 | 0 | 0 | 111.9 | ||||
| 8 | G | 47.2 | Very low | 47.7 | Very low | 79 Ų | 79 | 143.2 Ų | 143.2 | 81% | 0.814 | 84% | 0.837 | S | S | * | * | trans | -155.9 | 99.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 9 | V | 49.5 | Very low | 47.4 | Very low | 143 Ų | 143 | 143.5 Ų | 143.5 | 87% | 0.867 | 83% | 0.834 | S | S | * | * | trans | -52.3 | 132.8 | -176.4 | 174.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 10 | G | 44.2 | Very low | 47.6 | Very low | 76 Ų | 76 | 145.4 Ų | 145.4 | 78% | 0.784 | 84% | 0.839 | S | S | * | * | trans | -135.7 | 114.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 11 | L | 49.3 | Very low | 47.7 | Very low | 168 Ų | 168 | 145.8 Ų | 145.8 | 88% | 0.88 | 83% | 0.834 | S | S | * | * | trans | -66.5 | 145.3 | -171.2 | -76.2 | 146.6 | 0 | 0 | 0 | 113.9 | ||||
| 12 | R | 43.9 | Very low | 48.4 | Very low | 243 Ų | 243 | 142.4 Ų | 142.4 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | trans | -70.6 | 131 | 175.5 | -67.8 | 176.5 | 177.1 | -140 | -1 | 111.4 | ||||
| 13 | G | 45.4 | Very low | 48 | Very low | 76 Ų | 76 | 145.2 Ų | 145.2 | 78% | 0.784 | 82% | 0.82 | S | S | * | * | trans | -116 | 112.9 | 162 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 14 | Q | 49 | Very low | 48 | Very low | 179 Ų | 179 | 146 Ų | 146 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | trans | -77.5 | 132.5 | 173.3 | -68.8 | 167.6 | 9 | 0 | 0 | 109.3 | ||||
| 15 | T | 52.6 | Low | 47.8 | Very low | 144 Ų | 144 | 151.5 Ų | 151.5 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | trans | -112.9 | 114.5 | 165.3 | 45.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 16 | H | 48.9 | Very low | 47.9 | Very low | 165 Ų | 165 | 154.8 Ų | 154.8 | 76% | 0.764 | 83% | 0.829 | S | S | * | * | trans | -71.3 | 126.2 | 177.6 | -135.2 | -125.5 | 0 | 0 | 0 | 109.2 | L18 | H16-L18 WeakPolarHBondContact ND1-CD1 3.49Š| ||
| 17 | S | 42.1 | Very low | 47.2 | Very low | 124 Ų | 124 | 154.4 Ų | 154.4 | 87% | 0.867 | 83% | 0.831 | S | S | * | * | trans | -94.3 | 110.3 | 167.5 | -169.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 18 | L | 48.4 | Very low | 47.4 | Very low | 130 Ų | 130 | 154.5 Ų | 154.5 | 68% | 0.681 | 83% | 0.831 | S | S | * | * | trans | -121.5 | 118.9 | 173.6 | -88.1 | 170 | 0 | 0 | 0 | 110.2 | H16 | H16-L18 WeakPolarHBondContact ND1-CD1 3.49Š| ||
| 19 | L | 42.8 | Very low | 47.4 | Very low | 150 Ų | 150 | 156.9 Ų | 156.9 | 79% | 0.785 | 83% | 0.829 | S | S | * | * | trans | 8.9 | 118.8 | 145.1 | -115.6 | 77.3 | 0 | 0 | 0 | 117.3 | ||||
| 20 | L | 50.3 | Low | 47.5 | Very low | 180 Ų | 180 | 156 Ų | 156 | 94% | 0.942 | 83% | 0.827 | S | S | * | * | trans | -110.8 | 104.5 | 150.5 | -109.9 | 91.6 | 0 | 0 | 0 | 108.7 | ||||
| 21 | Q | 50.8 | Low | 47.7 | Very low | 154 Ų | 154 | 158 Ų | 158 | 72% | 0.72 | 83% | 0.828 | S | S | * | * | trans | -114.6 | 144.9 | 162 | -170.5 | 97.8 | 37.5 | 0 | 0 | 106.5 | ||||
| 22 | Q | 52.8 | Low | 47.8 | Very low | 164 Ų | 164 | 156.9 Ų | 156.9 | 77% | 0.766 | 83% | 0.828 | S | S | * | * | trans | 76 | 136.2 | 165.6 | -99.3 | 164.2 | 39.6 | 0 | 0 | 114.1 | ||||
| 23 | Q | 50.3 | Low | 48 | Very low | 159 Ų | 159 | 148.7 Ų | 148.7 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | cis | -158.1 | 152.5 | 29.8 | -60.4 | 178.1 | -19.9 | 0 | 0 | 108.5 | ||||
| 24 | H | 46.3 | Very low | 48 | Very low | 188 Ų | 188 | 153.7 Ų | 153.7 | 87% | 0.87 | 82% | 0.816 | S | S | * | * | trans | -168.6 | 86 | 135 | -118.2 | -115 | 0 | 0 | 0 | 109.2 | ||||
| 25 | E | 44.4 | Very low | 47.8 | Very low | 190 Ų | 190 | 150.9 Ų | 150.9 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | trans | -100.8 | 125 | 151.4 | -68.2 | -150.4 | 125.2 | 0 | 0 | 107.4 | ||||
| 26 | R | 47.3 | Very low | 47.3 | Very low | 233 Ų | 233 | 147.9 Ų | 147.9 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | 179.4 | 104.8 | 157.2 | -102.1 | 169.7 | -165.3 | -158 | 4.7 | 108.1 | ||||
| 27 | C | 42.1 | Very low | 46.9 | Very low | 135 Ų | 135 | 145.1 Ų | 145.1 | 91% | 0.912 | 82% | 0.819 | S | S | * | * | trans | -167.2 | 99.7 | 136.4 | -97.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 28 | L | 47.5 | Very low | 47.2 | Very low | 165 Ų | 165 | 148 Ų | 148 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | -64.8 | 140.8 | 177.4 | -72.1 | 143.7 | 0 | 0 | 0 | 111.6 | ||||
| 29 | T | 47.6 | Very low | 47.3 | Very low | 128 Ų | 128 | 148.6 Ų | 148.6 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | trans | -74.2 | 161.9 | 163.5 | 53.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 30 | P | 52 | Low | 47.3 | Very low | 126 Ų | 126 | 144.7 Ų | 144.7 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -122.9 | 135 | 143 | 33.3 | -21.2 | 0 | 0 | 0 | 112.5 | ||||
| 31 | S | 47.8 | Very low | 46.9 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | -89.7 | 127.2 | 172.1 | 165 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 32 | V | 52.6 | Low | 46.6 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 88% | 0.879 | 83% | 0.83 | S | S | * | * | trans | -134.3 | 139.5 | 160.7 | 177 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 33 | A | 47.3 | Very low | 46 | Very low | 71 Ų | 71 | 135.4 Ų | 135.4 | 59% | 0.587 | 83% | 0.832 | S | S | * | * | trans | -82.4 | 156.1 | -162 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 34 | Q | 45.2 | Very low | 46 | Very low | 181 Ų | 181 | 136.9 Ų | 136.9 | 85% | 0.846 | 84% | 0.838 | S | S | * | * | trans | 58.7 | 111.8 | 141.2 | -69.2 | 168 | 23.2 | 0 | 0 | 119.8 | ||||
| 35 | S | 45.1 | Very low | 46.4 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | 150.2 | 130.2 | 100.5 | 55.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 36 | G | 41.2 | Very low | 46.6 | Very low | 80 Ų | 80 | 129.4 Ų | 129.4 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | 48.4 | 109.1 | 148.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 37 | A | 42 | Very low | 46.2 | Very low | 107 Ų | 107 | 131.1 Ų | 131.1 | 88% | 0.884 | 83% | 0.829 | S | S | * | * | -175.3 | 139.7 | 125.2 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 38 | Q | 48.7 | Very low | 46.3 | Very low | 185 Ų | 185 | 129.5 Ų | 129.5 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | -70.8 | 166.7 | -178.2 | -69.6 | 167.4 | -13.8 | 0 | 0 | 113.5 | ||||
| 39 | V | 49.9 | Very low | 46 | Very low | 143 Ų | 143 | 129.1 Ų | 129.1 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | trans | 118 | 108.7 | 144 | -171 | 0 | 0 | 0 | 0 | 116 | ||||
| 40 | G | 42.7 | Very low | 45.6 | Very low | 68 Ų | 68 | 126.8 Ų | 126.8 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | trans | 103.7 | 115.8 | 135.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 41 | P | 42.6 | Very low | 45.1 | Very low | 137 Ų | 137 | 131.8 Ų | 131.8 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | trans | -95.9 | 148.4 | 170.3 | 36.1 | -27.8 | 0 | 0 | 0 | 112 | ||||
| 42 | G | 42.6 | Very low | 44.9 | Very low | 88 Ų | 88 | 132 Ų | 132 | 91% | 0.907 | 82% | 0.823 | S | S | * | * | trans | 119.7 | 110.6 | 153.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 43 | G | 42.2 | Very low | 44.5 | Very low | 78 Ų | 78 | 130.9 Ų | 130.9 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -169.1 | 70.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 44 | H | 50.1 | Low | 44.2 | Very low | 189 Ų | 189 | 133.4 Ų | 133.4 | 88% | 0.875 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -88 | 135 | 162.2 | -104.9 | -88.3 | 0 | 0 | 0 | 109.3 | ||
| 45 | P | 53.4 | Low | 44.2 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 74% | 0.74 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 137.7 | 179.7 | 30.4 | -31.2 | 0 | 0 | 0 | 111.5 | ||
| 46 | P | 49.1 | Very low | 44.1 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 70% | 0.695 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -99 | 130.9 | 178.8 | 35.3 | -28 | 0 | 0 | 0 | 111.8 | ||
| 47 | W | 38.8 | Very low | 44.4 | Very low | 269 Ų | 269 | 139.6 Ų | 139.6 | 100% | 1.019 | 84% | 0.839 | S | S | * | * | trans | -101.8 | 96.2 | 158.7 | -83.1 | -8.8 | 0 | 0 | 0 | 110 | ||||
| 48 | C | 44.1 | Very low | 44.5 | Very low | 102 Ų | 102 | 146 Ų | 146 | 69% | 0.689 | 84% | 0.841 | S | S | * | * | trans | -25.2 | 159.6 | 148.3 | -71.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 49 | N | 41.9 | Very low | 44.1 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 83% | 0.834 | 83% | 0.834 | S | S | * | * | cis | -179.5 | 139 | -19 | -113.5 | -26.3 | 0 | 0 | 0 | 104 | ||||
| 50 | G | 38.5 | Very low | 44 | Very low | 80 Ų | 80 | 139.8 Ų | 139.8 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | trans | -147.4 | 59.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 51 | R | 42.4 | Very low | 44.6 | Very low | 230 Ų | 230 | 143.1 Ų | 143.1 | 87% | 0.868 | 84% | 0.842 | S | S | * | * | trans | 6.3 | 128.7 | 163.6 | -75.4 | 172.2 | 179.7 | -108.4 | -2 | 119.2 | ||||
| 52 | S | 41.9 | Very low | 45.1 | Very low | 121 Ų | 121 | 141.6 Ų | 141.6 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | -151.5 | 145.7 | 120.4 | -81.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 53 | P | 44 | Very low | 45.2 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 79% | 0.786 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 133 | -160.1 | 10.7 | 10.9 | 0 | 0 | 0 | 113 | ||
| 54 | S | 41.5 | Very low | 45.6 | Very low | 124 Ų | 124 | 150 Ų | 150 | 87% | 0.867 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 119.6 | 166.9 | -63.4 | 0 | 0 | 0 | 0 | 110.3 | ||
| 55 | L | 45.4 | Very low | 45.8 | Very low | 178 Ų | 178 | 146.5 Ų | 146.5 | 93% | 0.932 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 127.8 | 165.5 | -80 | 171.3 | 0 | 0 | 0 | 109.8 | ||
| 56 | L | 42.5 | Very low | 45.2 | Very low | 164 Ų | 164 | 147.5 Ų | 147.5 | 86% | 0.859 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 130.8 | 173 | -72.3 | 152.3 | 0 | 0 | 0 | 110.6 | ||
| 57 | I | 47.4 | Very low | 45 | Very low | 170 Ų | 170 | 146.8 Ų | 146.8 | 87% | 0.872 | 83% | 0.832 | S | S | * | * | trans | -136 | 129.2 | 146.2 | -63.7 | -70.1 | 0 | 0 | 0 | 108.5 | ||||
| 58 | R | 45 | Very low | 45.6 | Very low | 243 Ų | 243 | 139.6 Ų | 139.6 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | trans | -66.2 | 153.5 | -178.1 | -107 | 168.5 | 160.7 | -158.6 | -4.4 | 112.6 | ||||
| 59 | G | 40 | Very low | 45.5 | Very low | 70 Ų | 70 | 143.5 Ų | 143.5 | 72% | 0.722 | 83% | 0.828 | S | S | * | * | trans | -70.2 | 169.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 60 | S | 48 | Very low | 45.6 | Very low | 126 Ų | 126 | 146.7 Ų | 146.7 | 88% | 0.881 | 83% | 0.828 | S | S | * | * | trans | -163.1 | 135 | 141.3 | -73.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 61 | T | 54.6 | Low | 46 | Very low | 139 Ų | 139 | 148.5 Ų | 148.5 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | trans | -85.1 | -166.7 | -168.3 | 53 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 62 | P | 52.8 | Low | 46.2 | Very low | 105 Ų | 105 | 143.4 Ų | 143.4 | 68% | 0.682 | 82% | 0.823 | S | S | * | * | -124.9 | 165.1 | -90.9 | 36.9 | -18.5 | 0 | 0 | 0 | 111.8 | |||||
| 63 | D | 44.9 | Very low | 46.5 | Very low | 150 Ų | 150 | 144.8 Ų | 144.8 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | trans | 171.1 | 113.1 | 146.8 | -92.6 | -38.3 | 0 | 0 | 0 | 107.4 | ||||
| 64 | H | 51 | Low | 46.4 | Very low | 193 Ų | 193 | 144.5 Ų | 144.5 | 89% | 0.894 | 82% | 0.817 | S | S | * | * | trans | 178.5 | 149.4 | 143.5 | -91.5 | -51.3 | 0 | 0 | 0 | 110.8 | ||||
| 65 | P | 53.9 | Low | 46.7 | Very low | 114 Ų | 114 | 149.2 Ų | 149.2 | 74% | 0.74 | 82% | 0.816 | S | S | * | * | trans | -81.9 | 152.8 | -145.4 | 31.2 | -36 | 0 | 0 | 0 | 114.6 | A67 | P65-A67 PolarHBondContact O-N 3.4Å; P65-A67 VanDerWaalsContact O-N 3.08Å | ||
| 66 | V | 41.5 | Very low | 46.4 | Very low | 136 Ų | 136 | 146.4 Ų | 146.4 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -45.4 | 106.1 | 172.4 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 67 | A | 44.7 | Very low | 46.3 | Very low | 91 Ų | 91 | 143.1 Ų | 143.1 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | -95.2 | 103.2 | 160.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | P65 M69 | P65-A67 PolarHBondContact O-N 3.4Å; P65-A67 VanDerWaalsContact O-N 3.08Å; A67-M69 PolarHBondContact O-N 3.14Å | ||
| 68 | T | 50.8 | Low | 46.5 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | trans | -51.4 | 104 | 171.5 | -48.3 | 0 | 0 | 0 | 0 | 110.2 | R70 | T68-R70 VanDerWaalsContact C-N 3.34Å; T68-R70 PolarHBondContact O-N 3.01Å | ||
| 69 | M | 43.2 | Very low | 46.5 | Very low | 184 Ų | 184 | 134.5 Ų | 134.5 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | trans | -68.5 | 94.6 | 168.5 | -80.3 | -161.8 | -80.3 | 0 | 0 | 108.9 | A67 S71 | A67-M69 PolarHBondContact O-N 3.14Å; M69-S71 PolarHBondContact O-N 3.46Å | ||
| 70 | R | 44.6 | Very low | 46.7 | Very low | 224 Ų | 224 | 135.8 Ų | 135.8 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | trans | -64.3 | 117.9 | 160.9 | -79.1 | -178.1 | 163.4 | -154.8 | -3.4 | 107.5 | T68 T72 | T68-R70 VanDerWaalsContact C-N 3.34Å; T68-R70 PolarHBondContact O-N 3.01Å; R70-T72 PolarHBondContact O-N 3.11Å | ||
| 71 | S | 46.3 | Very low | 47 | Very low | 117 Ų | 117 | 135 Ų | 135 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -53.6 | 101.4 | 171.6 | -79.9 | 0 | 0 | 0 | 0 | 110.5 | M69 N73 | M69-S71 PolarHBondContact O-N 3.46Å; S71-N73 PolarHBondContact O-N 3.32Å | ||
| 72 | T | 46.4 | Very low | 46.6 | Very low | 124 Ų | 124 | 136 Ų | 136 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | trans | -76.9 | 78.5 | 160.5 | 42.2 | 0 | 0 | 0 | 0 | 107.6 | R70 T74 | R70-T72 PolarHBondContact O-N 3.11Å; T72-T74 PolarHBondContact O-N 3.43Å; T72-T74 PolarHBondContact O-OG1 3.45Å | ||
| 73 | N | 47.7 | Very low | 46.4 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | -73.5 | 59.6 | 162.6 | -160.5 | -0.7 | 0 | 0 | 0 | 108.4 | S71 R75 | S71-N73 PolarHBondContact O-N 3.32Å; N73-R75 PolarHBondContact O-N 3.46Å | ||
| 74 | T | 43.1 | Very low | 46.8 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | -81.8 | 96.9 | 171 | 9.9 | 0 | 0 | 0 | 0 | 106.6 | T72 T76 | T72-T74 PolarHBondContact O-N 3.43Å; T72-T74 PolarHBondContact O-OG1 3.45Å; T74-T76 PolarHBondContact O-N 3.32Å | ||
| 75 | R | 47.3 | Very low | 46.5 | Very low | 223 Ų | 223 | 135.8 Ų | 135.8 | 84% | 0.842 | 76% | 0.757 | S | S | * | * | trans | -35.8 | 112.6 | 164.6 | -62.8 | 165.9 | 90.2 | -169 | 7.6 | 108.3 | N73 P77 | N73-R75 PolarHBondContact O-N 3.46Å; R75-P77 WeakPolarHBondContact O-CD 3.41Å; R75-P77 VanDerWaalsContact O-N 3.08Å | ||
| 76 | T | 39.4 | Very low | 46.1 | Very low | 119 Ų | 119 | 133 Ų | 133 | 73% | 0.73 | 75% | 0.748 | S | S | * | * | trans | -55.5 | 113.1 | 164.1 | 22.2 | 0 | 0 | 0 | 0 | 106.9 | T74 T78 | T74-T76 PolarHBondContact O-N 3.32Å; T76-T78 VanDerWaalsContact C-N 3.31Å; T76-T78 PolarHBondContact O-N 3.25Å | ||
| 77 | P | 40.3 | Very low | 46.1 | Very low | 96 Ų | 96 | 129 Ų | 129 | 62% | 0.623 | 73% | 0.734 | S | S | * | * | trans | -76.3 | 93.5 | 176.4 | 30.5 | -26.3 | 0 | 0 | 0 | 105.7 | R75 S79 | R75-P77 WeakPolarHBondContact O-CD 3.41Å; R75-P77 VanDerWaalsContact O-N 3.08Å; P77-S79 PolarHBondContact O-N 3.47Å | ||
| 78 | T | 50.5 | Low | 46.4 | Very low | 137 Ų | 137 | 133.4 Ų | 133.4 | 84% | 0.84 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -73 | 20.2 | 169.9 | 65.7 | 0 | 0 | 0 | 0 | 111.7 | T76 | T76-T78 VanDerWaalsContact C-N 3.31Å; T76-T78 PolarHBondContact O-N 3.25Å |
| 79 | S | 45.1 | Very low | 46.5 | Very low | 95 Ų | 95 | 131 Ų | 131 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | trans | -136.5 | 58.1 | -175.3 | 65.2 | 0 | 0 | 0 | 0 | 108.4 | P77 P81 | P77-S79 PolarHBondContact O-N 3.47Å; S79-P81 VanDerWaalsContact O-CD 3.24Å; S79-P81 WeakPolarHBondContact O-CD 3.47Å | ||
| 80 | D | 44 | Very low | 47.1 | Very low | 97 Ų | 97 | 124.9 Ų | 124.9 | 52% | 0.519 | 72% | 0.723 | S | S | . | * | trans | -96.1 | 98.6 | 164.9 | -151.6 | -26.1 | 0 | 0 | 0 | 107.6 | E82 | D80-E82 PolarHBondContact O-N 3.14Š| ||
| 81 | P | 54.3 | Low | 48.3 | Very low | 108 Ų | 108 | 120.1 Ų | 120.1 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -65.5 | -11.7 | -179.2 | 26.6 | -31.6 | 0 | 0 | 0 | 112.5 | S79 | S79-P81 VanDerWaalsContact O-CD 3.24Å; S79-P81 WeakPolarHBondContact O-CD 3.47Å |
| 82 | E | 47.3 | Very low | 49.9 | Very low | 160 Ų | 160 | 118.6 Ų | 118.6 | 75% | 0.748 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -84.2 | -12.4 | -175.3 | -67.1 | -168.2 | 127.2 | 0 | 0 | 114.6 | D80 T84 A85 | D80-E82 PolarHBondContact O-N 3.14Å; E82-T84 PolarHBondContact O-N 2.93Å; E82-A85 PolarHBondContact O-N 3.39Å |
| 83 | R | 48.8 | Very low | 51.7 | Low | 240 Ų | 240 | 113.5 Ų | 113.5 | 91% | 0.906 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -72.4 | -7.6 | 170.6 | -162.8 | 176.4 | 172.5 | 107.2 | 1.6 | 113.2 | ||
| 84 | T | 52.9 | Low | 53.7 | Low | 119 Ų | 119 | 108.9 Ų | 108.9 | 73% | 0.73 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -112.5 | 16.3 | 179.2 | -26.9 | 0 | 0 | 0 | 0 | 112.9 | E82 G86 | E82-T84 PolarHBondContact O-N 2.93Å; T84-G86 PolarHBondContact O-N 3.12Å |
| 85 | A | 43.5 | Very low | 55.8 | Low | 86 Ų | 86 | 103.7 Ų | 103.7 | 71% | 0.711 | 61% | 0.613 | S | S | * | * | trans | -74.5 | 60.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | E82 G87 | E82-A85 PolarHBondContact O-N 3.39Å; A85-G87 PolarHBondContact O-N 3.39Å; A85-G87 VanDerWaalsContact O-N 3.15Å | ||
| 86 | G | 46.5 | Very low | 57.9 | Low | 54 Ų | 54 | 96.7 Ų | 96.7 | 56% | 0.557 | 60% | 0.595 | S | S | * | * | trans | -67.5 | 105.3 | 156.9 | 0 | 0 | 0 | 0 | 0 | 106 | T84 | T84-G86 PolarHBondContact O-N 3.12Š| ||
| 87 | G | 42.2 | Very low | 60.2 | Low | 52 Ų | 52 | 93.6 Ų | 93.6 | 54% | 0.536 | 57% | 0.57 | S | S | . | * | trans | -44.3 | 149.5 | -172 | 0 | 0 | 0 | 0 | 0 | 113.4 | A85 G89 A90 | A85-G87 PolarHBondContact O-N 3.39Å; A85-G87 VanDerWaalsContact O-N 3.15Å; G87-G89 PolarHBondContact O-N 3.29Å; G87-A90 PolarHBondContact O-N 2.98Å | ||
| 88 | D | 51.4 | Low | 62.3 | Low | 184 Ų | 184 | 92 Ų | 92 | 98% | 0.984 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 29.8 | -170.7 | -53.6 | -57.1 | 0 | 0 | 0 | 115.1 | ||
| 89 | G | 51.9 | Low | 63.7 | Low | 69 Ų | 69 | 87.1 Ų | 87.1 | 71% | 0.711 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143 | 15.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | G87 D91 | G87-G89 PolarHBondContact O-N 3.29Å; G89-D91 PolarHBondContact O-N 2.9Å |
| 90 | A | 55.7 | Low | 65.6 | Low | 54 Ų | 54 | 86.5 Ų | 86.5 | 45% | 0.446 | 53% | 0.53 | S | S | . | . | trans | -78.7 | 116 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | G87 F92 | G87-A90 PolarHBondContact O-N 2.98Å; A90-F92 PolarHBondContact O-N 3.12Å | ||
| 91 | D | 69.4 | Low | 67.8 | Low | 124 Ų | 124 | 82.1 Ų | 82.1 | 66% | 0.663 | 51% | 0.507 | S | S | * | . | trans | -56.4 | 93.7 | 171.4 | -76.6 | -24.4 | 0 | 0 | 0 | 111.4 | G89 K125 | G89-D91 PolarHBondContact O-N 2.9Å; D91-K125 HydrophobicContact CB-CD 4.49Å; D91-K125 VanDerWaalsContact CB-NZ 3.26Å; D91-K125 WeakPolarHBondContact O-CD 3.38Å; D91-K125 IonicContact OD2-NZ 3.33Å; D91-K125 PolarHBondContact OD2-NZ 3.46Å | ||
| 92 | F | 81.2 | Confident | 69.5 | Low | 85 Ų | 85 | 85.2 Ų | 85.2 | 37% | 0.373 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -89.7 | 147.7 | 172.8 | 64.5 | -89.1 | 0 | 0 | 0 | 111 | A90 A94 E126 R128 | A90-F92 PolarHBondContact O-N 3.12Å; F92-A94 HydrophobicContact CE2-CB 4.34Å; F92-E126 CarbonylContact C-O 3.55Å; F92-E126 WeakPolarHBondContact CA-O 3.36Å; F92-E126 HydrophobicContact CB-CB 4.38Å; F92-E126 WeakPolarHBondContact CB-O 3.37Å; F92-R128 HydrophobicContact CB-CG 4.28Å; F92-R128 HydrophobicContact CD2-CB 3.88Å; F92-R128 HydrophobicContact CD2-CG 3.84Å; F92-R128 HydrophobicContact CE2-CB 4.29Å; F92-R128 HydrophobicContact CE2-CG 4.45Å; F92-R128 HydrophobicContact CG-CG 4.11Å |
| 93 | V | 84.4 | Confident | 71.5 | Confident | 18 Ų | 18 | 78.1 Ų | 78.1 | 11% | 0.109 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 120.6 | 171.8 | 171.1 | 0 | 0 | 0 | 0 | 108.9 | P104 F116 M120 K125 E126 V127 R128 | V93-P104 HydrophobicContact CB-CG 4.28Å; V93-P104 HydrophobicContact CG1-CG 3.6Å; V93-P104 HydrophobicContact CG2-CG 3.66Å; V93-F116 HydrophobicContact CG1-CZ 4.48Å; V93-M120 HydrophobicContact CB-CE 3.86Å; V93-M120 HydrophobicContact CG1-CE 3.99Å; V93-M120 HydrophobicContact CG2-CE 3.59Å; V93-K125 HydrophobicContact CG2-CB 4.05Å; V93-K125 HydrophobicContact CG2-CG 4.29Å; V93-E126 PolarHBondContact N-O 3.36Å; V93-V127 WeakPolarHBondContact O-CA 3.4Å; V93-R128 PolarHBondContact O-N 3.16Å |
| 94 | A | 88 | Confident | 73.2 | Confident | 52 Ų | 52 | 70.8 Ų | 70.8 | 43% | 0.43 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 124.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | F92 R128 L130 | F92-A94 HydrophobicContact CE2-CB 4.34Å; A94-R128 CarbonylContact C-O 3.02Å; A94-R128 WeakPolarHBondContact CA-O 3.44Å; A94-L130 HydrophobicContact CB-CD1 3.77Å; A94-L130 HydrophobicContact CB-CG 4.13Å |
| 95 | A | 88 | Confident | 74.7 | Confident | 6 Ų | 6 | 69.4 Ų | 69.4 | 5% | 0.05 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F101 F116 V127 R128 F129 L130 | A95-F101 HydrophobicContact CB-CD1 4.07Å; A95-F116 HydrophobicContact CB-CD1 4.35Å; A95-F116 HydrophobicContact CB-CE1 3.5Å; A95-F116 VanDerWaalsContact CB-CE1 3.5Å; A95-F116 HydrophobicContact CB-CZ 4Å; A95-V127 HydrophobicContact CB-CG1 4.2Å; A95-R128 PolarHBondContact N-O 3.46Å; A95-F129 HydrophobicContact CB-CD1 4.33Å; A95-F129 HydrophobicContact CB-CE1 4.48Å; A95-F129 CarbonylContact O-C 3.46Å; A95-F129 VanDerWaalsContact O-CA 3.27Å; A95-F129 WeakPolarHBondContact O-CA 3.37Å; A95-L130 PolarHBondContact O-N 3.18Å |
| 96 | T | 90.4 | Very high | 76.9 | Confident | 76 Ų | 76 | 67.4 Ų | 67.4 | 47% | 0.466 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 134.5 | -177.1 | -54.7 | 0 | 0 | 0 | 0 | 111.7 | F101 | T96-F101 VanDerWaalsContact O-CE1 3.27Å; T96-F101 WeakPolarHBondContact O-CE1 3.44Å |
| 97 | Y | 88.7 | Confident | 78.8 | Confident | 53 Ų | 53 | 71.7 Ų | 71.7 | 21% | 0.208 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 132 | 175.2 | -178.3 | -86.3 | 0 | 0 | 0 | 110.7 | F101 L130 G132 I141 V144 A145 Y148 | Y97-F101 HydrophobicContact CD2-CZ 4.1Å; Y97-L130 PolarHBondContact N-O 3.3Å; Y97-G132 PolarHBondContact O-N 3.44Å; Y97-I141 HydrophobicContact CE2-CD1 4.35Å; Y97-I141 HydrophobicContact CE2-CG1 4.48Å; Y97-V144 HydrophobicContact CD1-CG1 4.16Å; Y97-V144 HydrophobicContact CD1-CG2 4.2Å; Y97-V144 HydrophobicContact CD2-CG1 3.87Å; Y97-V144 HydrophobicContact CG-CG1 3.66Å; Y97-V144 HydrophobicContact CG-CG2 4.14Å; Y97-A145 HydrophobicContact CE1-CB 4.24Å; Y97-A145 HydrophobicContact CE2-CB 4.32Å; Y97-Y148 HydrophobicContact CD1-CD1 4.39Å; Y97-Y148 AromaticContact CD1-CD2 3.95Å; Y97-Y148 HydrophobicContact CD1-CD2 3.95Å; Y97-Y148 AromaticContact CD1-CG 3.79Å; Y97-Y148 HydrophobicContact CD1-CG 3.79Å; Y97-Y148 AromaticContact CE1-CD1 3.94Å; Y97-Y148 HydrophobicContact CE1-CD1 3.94Å; Y97-Y148 HydrophobicContact CE1-CD2 4.32Å; Y97-Y148 AromaticContact CE1-CG 3.72Å; Y97-Y148 HydrophobicContact CE1-CG 3.72Å |
| 98 | P | 83.6 | Confident | 81 | Confident | 63 Ų | 63 | 71.7 Ų | 71.7 | 41% | 0.409 | 43% | 0.429 | S | S | . | . | S | Bend | cis | -78.1 | 160.7 | 4.4 | -3.6 | 24.1 | 0 | 0 | 0 | 111.6 | Y148 | P98-Y148 VanDerWaalsContact CD-CE2 3.48Å; P98-Y148 HydrophobicContact CG-CD1 4.5Å; P98-Y148 HydrophobicContact CG-CE1 3.79Å; P98-Y148 HydrophobicContact CG-CE2 3.93Å; P98-Y148 VanDerWaalsContact CG-CZ 3.45Å; P98-Y148 WeakPolarHBondContact CG-OH 3.4Å |
| 99 | G | 81.3 | Confident | 82.8 | Confident | 34 Ų | 34 | 67.3 Ų | 67.3 | 35% | 0.351 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -58.5 | 170.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 100 | P | 84.9 | Confident | 84.5 | Confident | 82 Ų | 82 | 65.7 Ų | 65.7 | 53% | 0.532 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | cis | -83.8 | 140.1 | 28.8 | 29.5 | -35.4 | 0 | 0 | 0 | 115.1 | I109 | P100-I109 HydrophobicContact CB-CG2 3.77Š|
| 101 | F | 90.1 | Very high | 86 | Confident | 6 Ų | 6 | 67.9 Ų | 67.9 | 3% | 0.026 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 111.1 | 177.5 | -51.7 | -75.1 | 0 | 0 | 0 | 110.1 | A95 T96 Y97 N110 A113 F116 F129 | A95-F101 HydrophobicContact CB-CD1 4.07Å; T96-F101 VanDerWaalsContact O-CE1 3.27Å; T96-F101 WeakPolarHBondContact O-CE1 3.44Å; Y97-F101 HydrophobicContact CD2-CZ 4.1Å; F101-N110 WeakPolarHBondContact CB-O 3.46Å; F101-N110 WeakPolarHBondContact CD2-O 3.35Å; F101-N110 PolarHBondContact N-O 3.35Å; F101-N110 PolarHBondContact O-N 2.93Å; F101-A113 HydrophobicContact CD2-CB 4.08Å; F101-A113 HydrophobicContact CE1-CB 4.43Å; F101-A113 HydrophobicContact CE2-CB 3.45Å; F101-A113 VanDerWaalsContact CE2-CB 3.45Å; F101-A113 HydrophobicContact CZ-CB 3.65Å; F101-F116 HydrophobicContact CB-CB 3.78Å; F101-F116 HydrophobicContact CB-CD1 3.8Å; F101-F116 HydrophobicContact CB-CD2 3.48Å; F101-F116 VanDerWaalsContact CB-CD2 3.48Å; F101-F116 HydrophobicContact CB-CE1 4.24Å; F101-F116 HydrophobicContact CB-CE2 3.96Å; F101-F116 HydrophobicContact CB-CG 3.39Å; F101-F116 HydrophobicContact CB-CZ 4.31Å; F101-F116 HydrophobicContact CD1-CD1 4.4Å; F101-F116 HydrophobicContact CD2-CB 4.28Å; F101-F116 HydrophobicContact CG-CB 4.15Å; F101-F116 HydrophobicContact CG-CD1 4.16Å; F101-F116 HydrophobicContact CG-CG 4.04Å; F101-F129 HydrophobicContact CD1-CE1 4.38Å; F101-F129 HydrophobicContact CE1-CD1 4.16Å; F101-F129 HydrophobicContact CE1-CE1 4Å |
| 102 | R | 89.3 | Confident | 86.9 | Confident | 172 Ų | 172 | 65.4 Ų | 65.4 | 65% | 0.649 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 131.2 | 179.9 | -59 | -177.1 | 177.8 | -128.8 | 1.2 | 109.6 | I109 | R102-I109 HydrophobicContact CG-CD1 4.34Å; R102-I109 HydrophobicContact CG-CG1 4.15Å; R102-I109 HydrophobicContact CG-CG2 4.3Å |
| 103 | C | 88.6 | Confident | 87.3 | Confident | 11 Ų | 11 | 61.7 Ų | 61.7 | 7% | 0.074 | 37% | 0.366 | C | S | . | . | trans | -73.6 | 134.1 | 170.7 | -174.8 | 0 | 0 | 0 | 0 | 109.8 | L105 T108 F116 H119 M120 | C103-L105 VanDerWaalsContact C-N 3.3Å; C103-L105 PolarHBondContact SG-N 3.46Å; C103-T108 WeakPolarHBondContact CB-OG1 3.47Å; C103-T108 PolarHBondContact N-O 2.95Å; C103-F116 HydrophobicContact CB-CE2 4.46Å; C103-H119 VanDerWaalsContact CB-NE2 3.31Å; C103-H119 WeakPolarHBondContact CB-NE2 3.37Å; C103-H119 PolarHBondContact SG-NE2 2.96Å; C103-M120 HydrophobicContact CB-SD 4.22Å | ||
| 104 | P | 84.4 | Confident | 87.5 | Confident | 87 Ų | 87 | 66.2 Ų | 66.2 | 57% | 0.565 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -80.2 | -13.1 | 173.2 | 31.4 | -34.4 | 0 | 0 | 0 | 113.1 | V93 | V93-P104 HydrophobicContact CB-CG 4.28Å; V93-P104 HydrophobicContact CG1-CG 3.6Å; V93-P104 HydrophobicContact CG2-CG 3.66Å |
| 105 | L | 86.2 | Confident | 87.6 | Confident | 89 Ų | 89 | 67.3 Ų | 67.3 | 47% | 0.466 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -100 | -15.2 | -176.5 | -60.4 | 175.5 | 0 | 0 | 0 | 113.1 | C103 H123 K125 | C103-L105 VanDerWaalsContact C-N 3.3Å; C103-L105 PolarHBondContact SG-N 3.46Å; L105-H123 HydrophobicContact CD1-CB 3.47Å; L105-H123 VanDerWaalsContact CD1-CB 3.47Å; L105-K125 HydrophobicContact CD1-CG 3.86Å |
| 106 | C | 89.3 | Confident | 87.7 | Confident | 44 Ų | 44 | 67 Ų | 67 | 30% | 0.297 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -153.1 | 174.4 | 175.4 | 68.6 | 0 | 0 | 0 | 0 | 111.2 | T108 H119 | C106-T108 PolarHBondContact O-N 3.14Å; C106-T108 VanDerWaalsContact SG-CG2 3.58Å; C106-T108 PolarHBondContact SG-OG1 3.19Å; C106-H119 PolarHBondContact SG-CE1 3.29Å; C106-H119 PolarHBondContact SG-NE2 3.08Å |
| 107 | V | 86.7 | Confident | 87.7 | Confident | 144 Ų | 144 | 65.6 Ų | 65.6 | 87% | 0.873 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -80.1 | 7.6 | -174.4 | -164.3 | 0 | 0 | 0 | 0 | 112.5 | ||
| 108 | T | 87.1 | Confident | 87.8 | Confident | 52 Ų | 52 | 68.1 Ų | 68.1 | 32% | 0.319 | 39% | 0.385 | S | S | . | . | trans | -71.4 | 134.4 | -177.5 | 62 | 0 | 0 | 0 | 0 | 111.5 | C103 C106 H119 | C103-T108 WeakPolarHBondContact CB-OG1 3.47Å; C103-T108 PolarHBondContact N-O 2.95Å; C106-T108 PolarHBondContact O-N 3.14Å; C106-T108 VanDerWaalsContact SG-CG2 3.58Å; C106-T108 PolarHBondContact SG-OG1 3.19Å; T108-H119 PolarHBondContact OG1-CD2 3.1Å; T108-H119 VanDerWaalsContact OG1-CD2 3.3Å; T108-H119 PolarHBondContact OG1-CE1 3.43Å; T108-H119 VanDerWaalsContact OG1-CE1 3.3Å; T108-H119 PolarHBondContact OG1-NE2 3.15Å | ||
| 109 | I | 88.9 | Confident | 88.1 | Confident | 93 Ų | 93 | 66.7 Ų | 66.7 | 48% | 0.477 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 119.9 | 175 | -53.2 | -178.5 | 0 | 0 | 0 | 107.6 | P100 R102 | P100-I109 HydrophobicContact CB-CG2 3.77Å; R102-I109 HydrophobicContact CG-CD1 4.34Å; R102-I109 HydrophobicContact CG-CG1 4.15Å; R102-I109 HydrophobicContact CG-CG2 4.3Å |
| 110 | N | 88.1 | Confident | 88.5 | Confident | 34 Ų | 34 | 65.1 Ų | 65.1 | 18% | 0.182 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 127.3 | -179.8 | -67.7 | 45.7 | 0 | 0 | 0 | 108.2 | F101 N115 F116 | F101-N110 WeakPolarHBondContact CB-O 3.46Å; F101-N110 WeakPolarHBondContact CD2-O 3.35Å; F101-N110 PolarHBondContact N-O 3.35Å; F101-N110 PolarHBondContact O-N 2.93Å; N110-N115 VanDerWaalsContact ND2-C 3.3Å; N110-N115 VanDerWaalsContact ND2-CB 3.32Å; N110-N115 WeakPolarHBondContact ND2-CB 3.43Å; N110-N115 PolarHBondContact ND2-O 3.23Å; N110-F116 HydrophobicContact CB-CB 3.98Å |
| 111 | S | 86.5 | Confident | 88.7 | Confident | 100 Ų | 100 | 68.3 Ų | 68.3 | 70% | 0.699 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -76.8 | -28.6 | 172.5 | 55.3 | 0 | 0 | 0 | 0 | 111.8 | ||
| 112 | V | 89.6 | Confident | 88.7 | Confident | 72 Ų | 72 | 72.3 Ų | 72.3 | 44% | 0.436 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -99.1 | 122.5 | -180 | -177.3 | 0 | 0 | 0 | 0 | 109.8 | H114 N115 F116 | V112-H114 VanDerWaalsContact C-N 3.32Å; V112-H114 HydrophobicContact CG1-CB 4.15Å; V112-H114 PolarHBondContact O-N 3.29Å; V112-N115 HydrophobicContact CB-CB 4.45Å; V112-N115 PolarHBondContact O-N 3.36Å; V112-F116 PolarHBondContact O-N 3.07Å; V112-F116 VanDerWaalsContact O-N 3.07Å |
| 113 | A | 88.5 | Confident | 88.6 | Confident | 7 Ų | 7 | 67 Ų | 67 | 6% | 0.058 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.2 | -30.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | F101 N115 F116 L117 F129 I141 | F101-A113 HydrophobicContact CD2-CB 4.08Å; F101-A113 HydrophobicContact CE1-CB 4.43Å; F101-A113 HydrophobicContact CE2-CB 3.45Å; F101-A113 VanDerWaalsContact CE2-CB 3.45Å; F101-A113 HydrophobicContact CZ-CB 3.65Å; A113-N115 VanDerWaalsContact C-N 3.34Å; A113-F116 WeakPolarHBondContact O-CB 3.33Å; A113-F116 PolarHBondContact O-N 3.49Å; A113-L117 WeakPolarHBondContact O-CG 3.37Å; A113-L117 PolarHBondContact O-N 2.96Å; A113-F129 HydrophobicContact CB-CE1 4.38Å; A113-I141 HydrophobicContact CB-CD1 3.01Å; A113-I141 HydrophobicContact CB-CG1 4.33Å |
| 114 | H | 89 | Confident | 88.5 | Confident | 113 Ų | 113 | 71.2 Ų | 71.2 | 52% | 0.523 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.5 | -48.7 | 173.8 | 176.9 | -80.9 | 0 | 0 | 0 | 110.5 | V112 F116 L117 E118 | V112-H114 VanDerWaalsContact C-N 3.32Å; V112-H114 HydrophobicContact CG1-CB 4.15Å; V112-H114 PolarHBondContact O-N 3.29Å; H114-F116 VanDerWaalsContact C-N 3.26Å; H114-F116 PolarHBondContact O-N 3.35Å; H114-L117 PolarHBondContact O-N 3.19Å; H114-E118 IonicContact CE1-OE2 2.71Å; H114-E118 PolarHBondContact O-N 3.3Å |
| 115 | N | 90.4 | Very high | 88.5 | Confident | 75 Ų | 75 | 70.4 Ų | 70.4 | 40% | 0.401 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.9 | -34.7 | 178.1 | -59.2 | 0.6 | 0 | 0 | 0 | 110.9 | N110 V112 A113 E118 H119 | N110-N115 VanDerWaalsContact ND2-C 3.3Å; N110-N115 VanDerWaalsContact ND2-CB 3.32Å; N110-N115 WeakPolarHBondContact ND2-CB 3.43Å; N110-N115 PolarHBondContact ND2-O 3.23Å; V112-N115 HydrophobicContact CB-CB 4.45Å; V112-N115 PolarHBondContact O-N 3.36Å; A113-N115 VanDerWaalsContact C-N 3.34Å; N115-E118 PolarHBondContact O-N 3.48Å; N115-H119 VanDerWaalsContact O-CB 3.28Å; N115-H119 WeakPolarHBondContact O-CB 3.46Å; N115-H119 PolarHBondContact O-N 2.95Å |
| 116 | F | 90.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 173.1 | -179.3 | -109.7 | 0 | 0 | 0 | 112.3 | V93 A95 F101 C103 N110 V112 A113 H114 E118 H119 M120 V127 | V93-F116 HydrophobicContact CG1-CZ 4.48Å; A95-F116 HydrophobicContact CB-CD1 4.35Å; A95-F116 HydrophobicContact CB-CE1 3.5Å; A95-F116 VanDerWaalsContact CB-CE1 3.5Å; A95-F116 HydrophobicContact CB-CZ 4Å; F101-F116 HydrophobicContact CB-CB 3.78Å; F101-F116 HydrophobicContact CB-CD1 3.8Å; F101-F116 HydrophobicContact CB-CD2 3.48Å; F101-F116 VanDerWaalsContact CB-CD2 3.48Å; F101-F116 HydrophobicContact CB-CE1 4.24Å; F101-F116 HydrophobicContact CB-CE2 3.96Å; F101-F116 HydrophobicContact CB-CG 3.39Å; F101-F116 HydrophobicContact CB-CZ 4.31Å; F101-F116 HydrophobicContact CD1-CD1 4.4Å; F101-F116 HydrophobicContact CD2-CB 4.28Å; F101-F116 HydrophobicContact CG-CB 4.15Å; F101-F116 HydrophobicContact CG-CD1 4.16Å; F101-F116 HydrophobicContact CG-CG 4.04Å; C103-F116 HydrophobicContact CB-CE2 4.46Å; N110-F116 HydrophobicContact CB-CB 3.98Å; V112-F116 PolarHBondContact O-N 3.07Å; V112-F116 VanDerWaalsContact O-N 3.07Å; A113-F116 WeakPolarHBondContact O-CB 3.33Å; A113-F116 PolarHBondContact O-N 3.49Å; H114-F116 VanDerWaalsContact C-N 3.26Å; H114-F116 PolarHBondContact O-N 3.35Å; F116-E118 VanDerWaalsContact C-N 3.32Å; F116-E118 PolarHBondContact O-N 3.1Å; F116-H119 WeakPolarHBondContact O-CB 3.41Å; F116-H119 PolarHBondContact O-N 3.25Å; F116-M120 HydrophobicContact CD1-CG 4.19Å; F116-M120 HydrophobicContact CD2-CG 4.19Å; F116-M120 HydrophobicContact CE1-CG 3.78Å; F116-M120 HydrophobicContact CE2-CG 3.78Å; F116-M120 HydrophobicContact CE2-SD 3.84Å; F116-M120 HydrophobicContact CG-CG 4.39Å; F116-M120 HydrophobicContact CZ-CG 3.56Å; F116-M120 HydrophobicContact CZ-SD 3.82Å; F116-M120 VanDerWaalsContact O-CG 3.28Å; F116-M120 WeakPolarHBondContact O-CG 3.21Å; F116-M120 PolarHBondContact O-N 3.42Å; F116-V127 HydrophobicContact CD1-CG1 4.34Å; F116-V127 HydrophobicContact CE1-CG1 3.71Å; F116-V127 HydrophobicContact CE1-CG2 4.29Å |
| 117 | L | 89.9 | Confident | 88.4 | Confident | 47 Ų | 47 | 69.4 Ų | 69.4 | 25% | 0.246 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.7 | -38.5 | 176.3 | -73.8 | 172.2 | 0 | 0 | 0 | 112.3 | A113 H114 M120 R121 V127 F129 I141 | A113-L117 WeakPolarHBondContact O-CG 3.37Å; A113-L117 PolarHBondContact O-N 2.96Å; H114-L117 PolarHBondContact O-N 3.19Å; L117-M120 PolarHBondContact O-N 3.5Å; L117-R121 WeakPolarHBondContact O-CG 3.4Å; L117-R121 PolarHBondContact O-N 2.99Å; L117-R121 VanDerWaalsContact O-N 3.1Å; L117-R121 PolarHBondContact O-NE 2.71Å; L117-V127 HydrophobicContact CD2-CB 3.84Å; L117-V127 HydrophobicContact CD2-CG1 4.06Å; L117-V127 HydrophobicContact CD2-CG2 4.22Å; L117-F129 HydrophobicContact CD1-CE2 4.23Å; L117-F129 HydrophobicContact CD1-CZ 4.01Å; L117-F129 HydrophobicContact CD2-CE2 3.93Å; L117-F129 HydrophobicContact CD2-CZ 3.75Å; L117-F129 HydrophobicContact CG-CE2 4.37Å; L117-F129 HydrophobicContact CG-CZ 3.88Å; L117-I141 HydrophobicContact CD1-CG2 4.48Å |
| 118 | E | 90.2 | Very high | 88.6 | Confident | 105 Ų | 105 | 66.1 Ų | 66.1 | 49% | 0.491 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 174 | -176.5 | 169.2 | -165.4 | 0 | 0 | 112.2 | H114 N115 F116 R121 | H114-E118 IonicContact CE1-OE2 2.71Å; H114-E118 PolarHBondContact O-N 3.3Å; N115-E118 PolarHBondContact O-N 3.48Å; F116-E118 VanDerWaalsContact C-N 3.32Å; F116-E118 PolarHBondContact O-N 3.1Å; E118-R121 VanDerWaalsContact CA-CZ 3.47Å; E118-R121 WeakPolarHBondContact O-CB 3.49Å; E118-R121 PolarHBondContact O-N 3.36Å |
| 119 | H | 90.4 | Very high | 88.8 | Confident | 33 Ų | 33 | 63.7 Ų | 63.7 | 15% | 0.153 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 172.4 | 172.5 | 63.5 | 0 | 0 | 0 | 112 | C103 C106 T108 N115 F116 R121 S122 H123 | C103-H119 VanDerWaalsContact CB-NE2 3.31Å; C103-H119 WeakPolarHBondContact CB-NE2 3.37Å; C103-H119 PolarHBondContact SG-NE2 2.96Å; C106-H119 PolarHBondContact SG-CE1 3.29Å; C106-H119 PolarHBondContact SG-NE2 3.08Å; T108-H119 PolarHBondContact OG1-CD2 3.1Å; T108-H119 VanDerWaalsContact OG1-CD2 3.3Å; T108-H119 PolarHBondContact OG1-CE1 3.43Å; T108-H119 VanDerWaalsContact OG1-CE1 3.3Å; T108-H119 PolarHBondContact OG1-NE2 3.15Å; N115-H119 VanDerWaalsContact O-CB 3.28Å; N115-H119 WeakPolarHBondContact O-CB 3.46Å; N115-H119 PolarHBondContact O-N 2.95Å; F116-H119 WeakPolarHBondContact O-CB 3.41Å; F116-H119 PolarHBondContact O-N 3.25Å; H119-R121 PolarHBondContact O-N 3.09Å; H119-S122 WeakPolarHBondContact O-CB 3.41Å; H119-S122 PolarHBondContact O-N 3.18Å; H119-S122 PolarHBondContact O-OG 3.22Å; H119-H123 AromaticContact CE1-CD2 3.69Å; H119-H123 AromaticContact CE1-NE2 3.3Å; H119-H123 PolarHBondContact CE1-NE2 3.32Å; H119-H123 VanDerWaalsContact CE1-NE2 3.3Å; H119-H123 AromaticContact NE2-CD2 3.51Å; H119-H123 AromaticContact NE2-NE2 3.35Å; H119-H123 PolarHBondContact NE2-NE2 2.91Å |
| 120 | M | 89.5 | Confident | 88.9 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.2 | -22.8 | -179.6 | -67.7 | -56.3 | -53.1 | 0 | 0 | 113.4 | V93 C103 F116 L117 S122 H123 A124 K125 V127 | V93-M120 HydrophobicContact CB-CE 3.86Å; V93-M120 HydrophobicContact CG1-CE 3.99Å; V93-M120 HydrophobicContact CG2-CE 3.59Å; C103-M120 HydrophobicContact CB-SD 4.22Å; F116-M120 HydrophobicContact CD1-CG 4.19Å; F116-M120 HydrophobicContact CD2-CG 4.19Å; F116-M120 HydrophobicContact CE1-CG 3.78Å; F116-M120 HydrophobicContact CE2-CG 3.78Å; F116-M120 HydrophobicContact CE2-SD 3.84Å; F116-M120 HydrophobicContact CG-CG 4.39Å; F116-M120 HydrophobicContact CZ-CG 3.56Å; F116-M120 HydrophobicContact CZ-SD 3.82Å; F116-M120 VanDerWaalsContact O-CG 3.28Å; F116-M120 WeakPolarHBondContact O-CG 3.21Å; F116-M120 PolarHBondContact O-N 3.42Å; L117-M120 PolarHBondContact O-N 3.5Å; M120-S122 VanDerWaalsContact C-N 3.29Å; M120-S122 PolarHBondContact O-N 2.88Å; M120-H123 PolarHBondContact O-N 3.18Å; M120-H123 VanDerWaalsContact O-N 3.16Å; M120-A124 PolarHBondContact O-N 3.2Å; M120-K125 HydrophobicContact CE-CB 3.9Å; M120-V127 HydrophobicContact CB-CG2 3.37Å; M120-V127 HydrophobicContact CE-CG2 4.37Å; M120-V127 HydrophobicContact CG-CG2 3.5Å; M120-V127 VanDerWaalsContact CG-CG2 3.5Å |
| 121 | R | 89.7 | Confident | 89.1 | Confident | 149 Ų | 149 | 59.6 Ų | 59.6 | 56% | 0.562 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.2 | -32 | 170.1 | -80.2 | 179.5 | -105.3 | 134.1 | -7.8 | 112.6 | L117 E118 H119 H123 A124 | L117-R121 WeakPolarHBondContact O-CG 3.4Å; L117-R121 PolarHBondContact O-N 2.99Å; L117-R121 VanDerWaalsContact O-N 3.1Å; L117-R121 PolarHBondContact O-NE 2.71Å; E118-R121 VanDerWaalsContact CA-CZ 3.47Å; E118-R121 WeakPolarHBondContact O-CB 3.49Å; E118-R121 PolarHBondContact O-N 3.36Å; H119-R121 PolarHBondContact O-N 3.09Å; R121-H123 PolarHBondContact O-N 3.09Å; R121-A124 PolarHBondContact O-N 3.4Å; R121-A124 VanDerWaalsContact O-N 3.14Å |
| 122 | S | 89 | Confident | 89.2 | Confident | 90 Ų | 90 | 57.1 Ų | 57.1 | 63% | 0.629 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -66.9 | -23.9 | 175.5 | 76.1 | 0 | 0 | 0 | 0 | 112.5 | H119 M120 | H119-S122 WeakPolarHBondContact O-CB 3.41Å; H119-S122 PolarHBondContact O-N 3.18Å; H119-S122 PolarHBondContact O-OG 3.22Å; M120-S122 VanDerWaalsContact C-N 3.29Å; M120-S122 PolarHBondContact O-N 2.88Å |
| 123 | H | 87.4 | Confident | 89.2 | Confident | 62 Ų | 62 | 59.2 Ų | 59.2 | 29% | 0.287 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -0.8 | 176.2 | -69.5 | -63.7 | 0 | 0 | 0 | 113.9 | L105 H119 M120 R121 K125 | L105-H123 HydrophobicContact CD1-CB 3.47Å; L105-H123 VanDerWaalsContact CD1-CB 3.47Å; H119-H123 AromaticContact CE1-CD2 3.69Å; H119-H123 AromaticContact CE1-NE2 3.3Å; H119-H123 PolarHBondContact CE1-NE2 3.32Å; H119-H123 VanDerWaalsContact CE1-NE2 3.3Å; H119-H123 AromaticContact NE2-CD2 3.51Å; H119-H123 AromaticContact NE2-NE2 3.35Å; H119-H123 PolarHBondContact NE2-NE2 2.91Å; M120-H123 PolarHBondContact O-N 3.18Å; M120-H123 VanDerWaalsContact O-N 3.16Å; R121-H123 PolarHBondContact O-N 3.09Å; H123-K125 HydrophobicContact CB-CG 4.44Å; H123-K125 PolarHBondContact O-N 3.37Å; H123-K125 VanDerWaalsContact O-N 3.1Å |
| 124 | A | 87 | Confident | 89.2 | Confident | 98 Ų | 98 | 62 Ų | 62 | 81% | 0.81 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 29.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | M120 R121 | M120-A124 PolarHBondContact O-N 3.2Å; R121-A124 PolarHBondContact O-N 3.4Å; R121-A124 VanDerWaalsContact O-N 3.14Å |
| 125 | K | 83.6 | Confident | 89.2 | Confident | 70 Ų | 70 | 60.8 Ų | 60.8 | 30% | 0.304 | 33% | 0.332 | S | S | . | . | trans | -102.5 | 136.9 | 176.8 | -71.2 | -75.3 | -177.7 | 176.4 | 0 | 110.5 | D91 V93 L105 M120 H123 | D91-K125 HydrophobicContact CB-CD 4.49Å; D91-K125 VanDerWaalsContact CB-NZ 3.26Å; D91-K125 WeakPolarHBondContact O-CD 3.38Å; D91-K125 IonicContact OD2-NZ 3.33Å; D91-K125 PolarHBondContact OD2-NZ 3.46Å; V93-K125 HydrophobicContact CG2-CB 4.05Å; V93-K125 HydrophobicContact CG2-CG 4.29Å; L105-K125 HydrophobicContact CD1-CG 3.86Å; M120-K125 HydrophobicContact CE-CB 3.9Å; H123-K125 HydrophobicContact CB-CG 4.44Å; H123-K125 PolarHBondContact O-N 3.37Å; H123-K125 VanDerWaalsContact O-N 3.1Å | ||
| 126 | E | 87 | Confident | 89.1 | Confident | 100 Ų | 100 | 62.9 Ų | 62.9 | 47% | 0.467 | 34% | 0.338 | S | S | . | . | trans | -73.8 | 139.6 | 171.3 | -168.7 | 174.9 | -171.8 | 0 | 0 | 109.9 | F92 V93 | F92-E126 CarbonylContact C-O 3.55Å; F92-E126 WeakPolarHBondContact CA-O 3.36Å; F92-E126 HydrophobicContact CB-CB 4.38Å; F92-E126 WeakPolarHBondContact CB-O 3.37Å; V93-E126 PolarHBondContact N-O 3.36Å | ||
| 127 | V | 87.2 | Confident | 89.2 | Confident | 13 Ų | 13 | 66.4 Ų | 66.4 | 8% | 0.079 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130.3 | -177.9 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | V93 A95 F116 L117 M120 F129 | V93-V127 WeakPolarHBondContact O-CA 3.4Å; A95-V127 HydrophobicContact CB-CG1 4.2Å; F116-V127 HydrophobicContact CD1-CG1 4.34Å; F116-V127 HydrophobicContact CE1-CG1 3.71Å; F116-V127 HydrophobicContact CE1-CG2 4.29Å; L117-V127 HydrophobicContact CD2-CB 3.84Å; L117-V127 HydrophobicContact CD2-CG1 4.06Å; L117-V127 HydrophobicContact CD2-CG2 4.22Å; M120-V127 HydrophobicContact CB-CG2 3.37Å; M120-V127 HydrophobicContact CE-CG2 4.37Å; M120-V127 HydrophobicContact CG-CG2 3.5Å; M120-V127 VanDerWaalsContact CG-CG2 3.5Å; V127-F129 HydrophobicContact CG1-CE1 4.47Å; V127-F129 HydrophobicContact CG1-CE2 4.34Å; V127-F129 HydrophobicContact CG1-CZ 4.19Å |
| 128 | R | 90.8 | Very high | 89.2 | Confident | 74 Ų | 74 | 64.5 Ų | 64.5 | 28% | 0.279 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 143.3 | 169.1 | -62.2 | -169.4 | 179.5 | 144 | 0 | 110.4 | F92 V93 A94 A95 V137 | F92-R128 HydrophobicContact CB-CG 4.28Å; F92-R128 HydrophobicContact CD2-CB 3.88Å; F92-R128 HydrophobicContact CD2-CG 3.84Å; F92-R128 HydrophobicContact CE2-CB 4.29Å; F92-R128 HydrophobicContact CE2-CG 4.45Å; F92-R128 HydrophobicContact CG-CG 4.11Å; V93-R128 PolarHBondContact O-N 3.16Å; A94-R128 CarbonylContact C-O 3.02Å; A94-R128 WeakPolarHBondContact CA-O 3.44Å; A95-R128 PolarHBondContact N-O 3.46Å; R128-V137 HydrophobicContact CB-CG1 3.78Å; R128-V137 HydrophobicContact CG-CG1 4.36Å |
| 129 | F | 91.2 | Very high | 89.1 | Confident | 1 Ų | 1 | 64 Ų | 64 | 0% | 0.004 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 131.4 | -177.9 | -65.6 | -83.9 | 0 | 0 | 0 | 111.5 | A95 F101 A113 L117 V127 C138 I141 V144 | A95-F129 HydrophobicContact CB-CD1 4.33Å; A95-F129 HydrophobicContact CB-CE1 4.48Å; A95-F129 CarbonylContact O-C 3.46Å; A95-F129 VanDerWaalsContact O-CA 3.27Å; A95-F129 WeakPolarHBondContact O-CA 3.37Å; F101-F129 HydrophobicContact CD1-CE1 4.38Å; F101-F129 HydrophobicContact CE1-CD1 4.16Å; F101-F129 HydrophobicContact CE1-CE1 4Å; A113-F129 HydrophobicContact CB-CE1 4.38Å; L117-F129 HydrophobicContact CD1-CE2 4.23Å; L117-F129 HydrophobicContact CD1-CZ 4.01Å; L117-F129 HydrophobicContact CD2-CE2 3.93Å; L117-F129 HydrophobicContact CD2-CZ 3.75Å; L117-F129 HydrophobicContact CG-CE2 4.37Å; L117-F129 HydrophobicContact CG-CZ 3.88Å; V127-F129 HydrophobicContact CG1-CE1 4.47Å; V127-F129 HydrophobicContact CG1-CE2 4.34Å; V127-F129 HydrophobicContact CG1-CZ 4.19Å; F129-C138 PolarHBondContact N-O 2.88Å; F129-C138 PolarHBondContact O-N 2.84Å; F129-I141 HydrophobicContact CD2-CB 4.36Å; F129-I141 HydrophobicContact CE2-CB 3.94Å; F129-I141 HydrophobicContact CZ-CB 4.05Å; F129-V144 HydrophobicContact CB-CB 3.89Å; F129-V144 HydrophobicContact CB-CG1 3.63Å; F129-V144 HydrophobicContact CB-CG2 4.24Å; F129-V144 HydrophobicContact CG-CG1 4.08Å |
| 130 | L | 91.7 | Very high | 89.1 | Confident | 42 Ų | 42 | 65.7 Ų | 65.7 | 22% | 0.22 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 136 | 175.1 | -63.3 | 174.1 | 0 | 0 | 0 | 110.2 | A94 A95 Y97 G132 V137 | A94-L130 HydrophobicContact CB-CD1 3.77Å; A94-L130 HydrophobicContact CB-CG 4.13Å; A95-L130 PolarHBondContact O-N 3.18Å; Y97-L130 PolarHBondContact N-O 3.3Å; L130-G132 PolarHBondContact O-N 3.1Å; L130-V137 HydrophobicContact CD2-CB 4.24Å; L130-V137 HydrophobicContact CD2-CG2 3.57Å |
| 131 | C | 92.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 121.7 | 170.1 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | K133 C134 S135 K136 V144 H147 | C131-K133 PolarHBondContact O-N 3.34Å; C131-C134 PolarHBondContact O-N 3.11Å; C131-S135 WeakPolarHBondContact O-CA 3.39Å; C131-S135 PolarHBondContact O-N 2.71Å; C131-K136 PolarHBondContact N-O 3.42Å; C131-K136 VanDerWaalsContact N-O 3.07Å; C131-V144 HydrophobicContact CB-CG2 4.25Å; C131-H147 VanDerWaalsContact SG-CD2 3.52Å |
| 132 | G | 88.6 | Confident | 89.2 | Confident | 47 Ų | 47 | 68 Ų | 68 | 49% | 0.485 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -11.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y97 L130 | Y97-G132 PolarHBondContact O-N 3.44Å; L130-G132 PolarHBondContact O-N 3.1Å |
| 133 | K | 88.7 | Confident | 89.3 | Confident | 117 Ų | 117 | 65.5 Ų | 65.5 | 51% | 0.509 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -39.5 | 179.2 | -70.8 | 175.4 | 179.7 | 177.1 | 0 | 114.3 | C131 Y148 C151 | C131-K133 PolarHBondContact O-N 3.34Å; K133-Y148 HydrophobicContact CD-CD2 4.31Å; K133-Y148 HydrophobicContact CD-CE2 4.09Å; K133-Y148 HydrophobicContact CG-CD2 4.35Å; K133-Y148 HydrophobicContact CG-CE2 3.87Å; K133-Y148 PolarHBondContact NZ-O 3.45Å; K133-C151 HydrophobicContact CB-CB 4.26Å; K133-C151 WeakPolarHBondContact CB-SG 3.35Å; K133-C151 HydrophobicContact CD-CB 3.96Å |
| 134 | C | 89.7 | Confident | 89.5 | Confident | 64 Ų | 64 | 62.5 Ų | 62.5 | 43% | 0.432 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.6 | 3.7 | -175.9 | 71.7 | 0 | 0 | 0 | 0 | 114.1 | C131 K136 H147 C151 | C131-C134 PolarHBondContact O-N 3.11Å; C134-K136 PolarHBondContact O-N 2.91Å; C134-K136 WeakPolarHBondContact SG-CB 3.48Å; C134-H147 PolarHBondContact SG-NE2 2.98Å; C134-C151 VanDerWaalsContact CB-SG 3.56Å; C134-C151 PolarHBondContact SG-SG 3.34Å |
| 135 | S | 88.1 | Confident | 89.7 | Confident | 88 Ų | 88 | 59.1 Ų | 59.1 | 62% | 0.615 | 33% | 0.327 | S | S | * | . | trans | 57.8 | 18.5 | -178.5 | -52.8 | 0 | 0 | 0 | 0 | 115 | C131 V137 | C131-S135 WeakPolarHBondContact O-CA 3.39Å; C131-S135 PolarHBondContact O-N 2.71Å; S135-V137 PolarHBondContact O-N 3.47Å | ||
| 136 | K | 88.7 | Confident | 90 | Very high | 120 Ų | 120 | 58.4 Ų | 58.4 | 52% | 0.522 | 33% | 0.331 | S | S | . | . | trans | -65.2 | 126.5 | 175.3 | -174.7 | 177.1 | -177.9 | -176.8 | 0 | 110.8 | C131 C134 | C131-K136 PolarHBondContact N-O 3.42Å; C131-K136 VanDerWaalsContact N-O 3.07Å; C134-K136 PolarHBondContact O-N 2.91Å; C134-K136 WeakPolarHBondContact SG-CB 3.48Å | ||
| 137 | V | 92.1 | Very high | 90.2 | Very high | 73 Ų | 73 | 55.9 Ų | 55.9 | 44% | 0.442 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 129.4 | 174.2 | -170 | 0 | 0 | 0 | 0 | 109.7 | R128 L130 S135 | R128-V137 HydrophobicContact CB-CG1 3.78Å; R128-V137 HydrophobicContact CG-CG1 4.36Å; L130-V137 HydrophobicContact CD2-CB 4.24Å; L130-V137 HydrophobicContact CD2-CG2 3.57Å; S135-V137 PolarHBondContact O-N 3.47Å |
| 138 | C | 89.8 | Confident | 90.3 | Very high | 7 Ų | 7 | 58.4 Ų | 58.4 | 5% | 0.047 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 133.8 | 178.6 | -66.9 | 0 | 0 | 0 | 0 | 108.9 | F129 T140 S143 V144 | F129-C138 PolarHBondContact N-O 2.88Å; F129-C138 PolarHBondContact O-N 2.84Å; C138-T140 VanDerWaalsContact C-N 3.31Å; C138-T140 PolarHBondContact O-N 3.04Å; C138-S143 WeakPolarHBondContact CB-OG 3.44Å; C138-V144 HydrophobicContact CB-CB 3.75Å; C138-V144 HydrophobicContact CB-CG2 4.37Å |
| 139 | P | 89.3 | Confident | 90.3 | Very high | 94 Ų | 94 | 58.3 Ų | 58.3 | 61% | 0.61 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -72.2 | -24.7 | -176.7 | 28 | -34.6 | 0 | 0 | 0 | 112.9 | ||
| 140 | T | 89.9 | Confident | 90 | Very high | 70 Ų | 70 | 65.4 Ų | 65.4 | 43% | 0.429 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -128.5 | 153.9 | -175.5 | 65 | 0 | 0 | 0 | 0 | 111.9 | C138 H142 S143 V144 | C138-T140 VanDerWaalsContact C-N 3.31Å; C138-T140 PolarHBondContact O-N 3.04Å; T140-H142 VanDerWaalsContact C-N 3.26Å; T140-H142 PolarHBondContact O-N 3.25Å; T140-S143 PolarHBondContact N-OG 2.86Å; T140-S143 PolarHBondContact O-N 3.39Å; T140-S143 PolarHBondContact O-OG 2.89Å; T140-S143 WeakPolarHBondContact OG1-CB 3.43Å; T140-S143 PolarHBondContact OG1-N 2.94Å; T140-S143 PolarHBondContact OG1-OG 3.44Å; T140-V144 PolarHBondContact O-N 3.13Å |
| 141 | I | 90.7 | Very high | 89.8 | Confident | 58 Ų | 58 | 64 Ų | 64 | 30% | 0.297 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.7 | -40.2 | 173.2 | 175 | 155.4 | 0 | 0 | 0 | 112.1 | Y97 A113 L117 F129 S143 V144 A145 | Y97-I141 HydrophobicContact CE2-CD1 4.35Å; Y97-I141 HydrophobicContact CE2-CG1 4.48Å; A113-I141 HydrophobicContact CB-CD1 3.01Å; A113-I141 HydrophobicContact CB-CG1 4.33Å; L117-I141 HydrophobicContact CD1-CG2 4.48Å; F129-I141 HydrophobicContact CD2-CB 4.36Å; F129-I141 HydrophobicContact CE2-CB 3.94Å; F129-I141 HydrophobicContact CZ-CB 4.05Å; I141-S143 VanDerWaalsContact C-N 3.31Å; I141-S143 PolarHBondContact O-N 2.93Å; I141-V144 WeakPolarHBondContact O-CG1 3.4Å; I141-V144 PolarHBondContact O-N 3.3Å; I141-A145 WeakPolarHBondContact O-CB 3.36Å; I141-A145 PolarHBondContact O-N 3.11Å |
| 142 | H | 90.4 | Very high | 89.2 | Confident | 139 Ų | 139 | 67.8 Ų | 67.8 | 64% | 0.644 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.9 | -42.5 | -177.8 | -173.1 | 70.3 | 0 | 0 | 0 | 111.1 | T140 A145 C146 | T140-H142 VanDerWaalsContact C-N 3.26Å; T140-H142 PolarHBondContact O-N 3.25Å; H142-A145 PolarHBondContact O-N 2.72Å; H142-C146 WeakPolarHBondContact O-CB 3.32Å; H142-C146 PolarHBondContact O-N 3.25Å; H142-C146 PolarHBondContact O-SG 3.32Å; H142-C146 VanDerWaalsContact O-SG 3.35Å |
| 143 | S | 91.3 | Very high | 88.5 | Confident | 38 Ų | 38 | 74.6 Ų | 74.6 | 27% | 0.266 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 178 | 58.2 | 0 | 0 | 0 | 0 | 112.6 | C138 T140 I141 H147 | C138-S143 WeakPolarHBondContact CB-OG 3.44Å; T140-S143 PolarHBondContact N-OG 2.86Å; T140-S143 PolarHBondContact O-N 3.39Å; T140-S143 PolarHBondContact O-OG 2.89Å; T140-S143 WeakPolarHBondContact OG1-CB 3.43Å; T140-S143 PolarHBondContact OG1-N 2.94Å; T140-S143 PolarHBondContact OG1-OG 3.44Å; I141-S143 VanDerWaalsContact C-N 3.31Å; I141-S143 PolarHBondContact O-N 2.93Å; S143-H147 VanDerWaalsContact O-CB 3.25Å; S143-H147 WeakPolarHBondContact O-CB 3.31Å; S143-H147 PolarHBondContact O-N 3.01Å |
| 144 | V | 91.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -67.4 | -37.5 | 176 | 74.6 | 0 | 0 | 0 | 0 | 112.2 | Y97 F129 C131 C138 T140 I141 H147 Y148 | Y97-V144 HydrophobicContact CD1-CG1 4.16Å; Y97-V144 HydrophobicContact CD1-CG2 4.2Å; Y97-V144 HydrophobicContact CD2-CG1 3.87Å; Y97-V144 HydrophobicContact CG-CG1 3.66Å; Y97-V144 HydrophobicContact CG-CG2 4.14Å; F129-V144 HydrophobicContact CB-CB 3.89Å; F129-V144 HydrophobicContact CB-CG1 3.63Å; F129-V144 HydrophobicContact CB-CG2 4.24Å; F129-V144 HydrophobicContact CG-CG1 4.08Å; C131-V144 HydrophobicContact CB-CG2 4.25Å; C138-V144 HydrophobicContact CB-CB 3.75Å; C138-V144 HydrophobicContact CB-CG2 4.37Å; T140-V144 PolarHBondContact O-N 3.13Å; I141-V144 WeakPolarHBondContact O-CG1 3.4Å; I141-V144 PolarHBondContact O-N 3.3Å; V144-H147 PolarHBondContact O-N 2.85Å; V144-Y148 WeakPolarHBondContact O-CB 3.3Å; V144-Y148 PolarHBondContact O-N 2.86Å |
| 145 | A | 91.2 | Very high | 86.1 | Confident | 26 Ų | 26 | 77.2 Ų | 77.2 | 22% | 0.215 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -67.7 | -45.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y97 I141 H142 H147 Y148 S149 | Y97-A145 HydrophobicContact CE1-CB 4.24Å; Y97-A145 HydrophobicContact CE2-CB 4.32Å; I141-A145 WeakPolarHBondContact O-CB 3.36Å; I141-A145 PolarHBondContact O-N 3.11Å; H142-A145 PolarHBondContact O-N 2.72Å; A145-H147 VanDerWaalsContact C-N 3.26Å; A145-H147 PolarHBondContact O-N 3.14Å; A145-Y148 PolarHBondContact O-N 2.88Å; A145-S149 PolarHBondContact O-N 2.93Å; A145-S149 PolarHBondContact O-OG 2.81Å |
| 146 | C | 90.5 | Very high | 84.8 | Confident | 56 Ų | 56 | 79 Ų | 79 | 38% | 0.378 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62 | -36.6 | 173.7 | -71.5 | 0 | 0 | 0 | 0 | 111.9 | H142 S149 | H142-C146 WeakPolarHBondContact O-CB 3.32Å; H142-C146 PolarHBondContact O-N 3.25Å; H142-C146 PolarHBondContact O-SG 3.32Å; H142-C146 VanDerWaalsContact O-SG 3.35Å; C146-S149 PolarHBondContact O-OG 2.86Å |
| 147 | H | 90.7 | Very high | 83.3 | Confident | 46 Ų | 46 | 83.5 Ų | 83.5 | 21% | 0.213 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -71.3 | -47.1 | 175.4 | 173.3 | 71.2 | 0 | 0 | 0 | 112 | C131 C134 S143 V144 A145 S149 K150 C151 | C131-H147 VanDerWaalsContact SG-CD2 3.52Å; C134-H147 PolarHBondContact SG-NE2 2.98Å; S143-H147 VanDerWaalsContact O-CB 3.25Å; S143-H147 WeakPolarHBondContact O-CB 3.31Å; S143-H147 PolarHBondContact O-N 3.01Å; V144-H147 PolarHBondContact O-N 2.85Å; A145-H147 VanDerWaalsContact C-N 3.26Å; A145-H147 PolarHBondContact O-N 3.14Å; H147-S149 VanDerWaalsContact C-N 3.26Å; H147-S149 PolarHBondContact O-N 2.75Å; H147-K150 CarbonylContact O-C 3.57Å; H147-K150 WeakPolarHBondContact O-CA 3.34Å; H147-K150 PolarHBondContact O-N 2.7Å; H147-C151 WeakPolarHBondContact NE2-CB 3.42Å; H147-C151 PolarHBondContact NE2-SG 2.94Å; H147-C151 VanDerWaalsContact NE2-SG 3.38Å; H147-C151 WeakPolarHBondContact O-CA 3.15Å; H147-C151 VanDerWaalsContact O-CB 3.29Å; H147-C151 WeakPolarHBondContact O-CB 3.47Å; H147-C151 PolarHBondContact O-N 3.47Å |
| 148 | Y | 89.9 | Confident | 81.7 | Confident | 66 Ų | 66 | 85.2 Ų | 85.2 | 26% | 0.259 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -56.3 | -37.3 | -174.2 | -176.3 | -95 | 0 | 0 | 0 | 113.4 | Y97 P98 K133 V144 A145 K150 | Y97-Y148 HydrophobicContact CD1-CD1 4.39Å; Y97-Y148 AromaticContact CD1-CD2 3.95Å; Y97-Y148 HydrophobicContact CD1-CD2 3.95Å; Y97-Y148 AromaticContact CD1-CG 3.79Å; Y97-Y148 HydrophobicContact CD1-CG 3.79Å; Y97-Y148 AromaticContact CE1-CD1 3.94Å; Y97-Y148 HydrophobicContact CE1-CD1 3.94Å; Y97-Y148 HydrophobicContact CE1-CD2 4.32Å; Y97-Y148 AromaticContact CE1-CG 3.72Å; Y97-Y148 HydrophobicContact CE1-CG 3.72Å; P98-Y148 VanDerWaalsContact CD-CE2 3.48Å; P98-Y148 HydrophobicContact CG-CD1 4.5Å; P98-Y148 HydrophobicContact CG-CE1 3.79Å; P98-Y148 HydrophobicContact CG-CE2 3.93Å; P98-Y148 VanDerWaalsContact CG-CZ 3.45Å; P98-Y148 WeakPolarHBondContact CG-OH 3.4Å; K133-Y148 HydrophobicContact CD-CD2 4.31Å; K133-Y148 HydrophobicContact CD-CE2 4.09Å; K133-Y148 HydrophobicContact CG-CD2 4.35Å; K133-Y148 HydrophobicContact CG-CE2 3.87Å; K133-Y148 PolarHBondContact NZ-O 3.45Å; V144-Y148 WeakPolarHBondContact O-CB 3.3Å; V144-Y148 PolarHBondContact O-N 2.86Å; A145-Y148 PolarHBondContact O-N 2.88Å; Y148-K150 VanDerWaalsContact C-N 3.34Å |
| 149 | S | 89.1 | Confident | 80.2 | Confident | 72 Ų | 72 | 90.4 Ų | 90.4 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.2 | -29.8 | 175.4 | 57.1 | 0 | 0 | 0 | 0 | 113.6 | A145 C146 H147 | A145-S149 PolarHBondContact O-N 2.93Å; A145-S149 PolarHBondContact O-OG 2.81Å; C146-S149 PolarHBondContact O-OG 2.86Å; H147-S149 VanDerWaalsContact C-N 3.26Å; H147-S149 PolarHBondContact O-N 2.75Å |
| 150 | K | 86.5 | Confident | 78.7 | Confident | 150 Ų | 150 | 97 Ų | 97 | 65% | 0.652 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -102.3 | -9.2 | -179.8 | -59.7 | 179.1 | -173.9 | -177.3 | 0 | 113 | H147 Y148 G152 R153 | H147-K150 CarbonylContact O-C 3.57Å; H147-K150 WeakPolarHBondContact O-CA 3.34Å; H147-K150 PolarHBondContact O-N 2.7Å; Y148-K150 VanDerWaalsContact C-N 3.34Å; K150-G152 PolarHBondContact O-N 2.92Å; K150-R153 PolarHBondContact O-N 2.92Å |
| 151 | C | 86.7 | Confident | 77.1 | Confident | 14 Ų | 14 | 101.5 Ų | 101.5 | 10% | 0.095 | 53% | 0.534 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 129.3 | -175.6 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | K133 C134 H147 R153 | K133-C151 HydrophobicContact CB-CB 4.26Å; K133-C151 WeakPolarHBondContact CB-SG 3.35Å; K133-C151 HydrophobicContact CD-CB 3.96Å; C134-C151 VanDerWaalsContact CB-SG 3.56Å; C134-C151 PolarHBondContact SG-SG 3.34Å; H147-C151 WeakPolarHBondContact NE2-CB 3.42Å; H147-C151 PolarHBondContact NE2-SG 2.94Å; H147-C151 VanDerWaalsContact NE2-SG 3.38Å; H147-C151 WeakPolarHBondContact O-CA 3.15Å; H147-C151 VanDerWaalsContact O-CB 3.29Å; H147-C151 WeakPolarHBondContact O-CB 3.47Å; H147-C151 PolarHBondContact O-N 3.47Å; C151-R153 VanDerWaalsContact C-N 3.33Å |
| 152 | G | 78.7 | Confident | 75.5 | Confident | 78 Ų | 78 | 103.8 Ų | 103.8 | 80% | 0.804 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85.4 | -4.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | K150 | K150-G152 PolarHBondContact O-N 2.92Š|
| 153 | R | 74.2 | Confident | 73.8 | Confident | 191 Ų | 191 | 108.9 Ų | 108.9 | 72% | 0.721 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -74.3 | 130.5 | 168.6 | -70.1 | -171.7 | -177.6 | -138.9 | -1.5 | 108.9 | K150 C151 V155 | K150-R153 PolarHBondContact O-N 2.92Å; C151-R153 VanDerWaalsContact C-N 3.33Å; R153-V155 PolarHBondContact O-N 3.29Å |
| 154 | P | 65.8 | Low | 72.3 | Confident | 111 Ų | 111 | 113.3 Ų | 113.3 | 72% | 0.721 | 59% | 0.586 | S | S | * | * | trans | -57.5 | 120 | 167.8 | 24.6 | -31.1 | 0 | 0 | 0 | 106.7 | T156 | P154-T156 PolarHBondContact O-N 3.06Š| ||
| 155 | V | 63.3 | Low | 70.1 | Confident | 125 Ų | 125 | 118.2 Ų | 118.2 | 76% | 0.758 | 63% | 0.626 | S | S | * | * | trans | -66.7 | 93.8 | 170.7 | -178.9 | 0 | 0 | 0 | 0 | 104.8 | R153 R157 | R153-V155 PolarHBondContact O-N 3.29Å; V155-R157 HydrophobicContact CG1-CG 3.97Å; V155-R157 PolarHBondContact O-N 3.44Å | ||
| 156 | T | 59.6 | Low | 68.6 | Low | 126 Ų | 126 | 121.8 Ų | 121.8 | 77% | 0.773 | 65% | 0.645 | S | S | * | * | trans | -62.1 | 95.6 | 152.3 | 51.1 | 0 | 0 | 0 | 0 | 103.3 | P154 S158 | P154-T156 PolarHBondContact O-N 3.06Å; T156-S158 PolarHBondContact O-N 3.04Å | ||
| 157 | R | 56.9 | Low | 66.8 | Low | 213 Ų | 213 | 127.7 Ų | 127.7 | 80% | 0.804 | 67% | 0.667 | S | S | * | * | trans | -56.2 | 100.7 | 160.2 | -78.7 | 178.5 | 69.2 | 159.2 | -1.8 | 102 | V155 V159 | V155-R157 HydrophobicContact CG1-CG 3.97Å; V155-R157 PolarHBondContact O-N 3.44Å; R157-V159 PolarHBondContact O-N 3.23Å | ||
| 158 | S | 58.6 | Low | 64.7 | Low | 110 Ų | 110 | 132.9 Ų | 132.9 | 77% | 0.769 | 70% | 0.696 | S | S | * | * | trans | -52 | 101.9 | 160.3 | 179.8 | 0 | 0 | 0 | 0 | 102.5 | T156 R160 | T156-S158 PolarHBondContact O-N 3.04Å; S158-R160 PolarHBondContact O-N 3.44Å | ||
| 159 | V | 59.7 | Low | 63.1 | Low | 115 Ų | 115 | 139.5 Ų | 139.5 | 70% | 0.697 | 72% | 0.721 | S | S | * | * | trans | -46.6 | 118.8 | 177 | 171.3 | 0 | 0 | 0 | 0 | 102.8 | R157 Q161 | R157-V159 PolarHBondContact O-N 3.23Å; V159-Q161 VanDerWaalsContact C-N 3.27Å; V159-Q161 PolarHBondContact O-N 3.33Å | ||
| 160 | R | 56.4 | Low | 61.6 | Low | 234 Ų | 234 | 139.9 Ų | 139.9 | 88% | 0.883 | 72% | 0.722 | S | S | * | * | trans | -47.9 | 107.7 | 172.6 | -79.5 | -178.1 | 176.6 | 168.8 | -1.6 | 103.8 | S158 P162 | S158-R160 PolarHBondContact O-N 3.44Å; R160-P162 WeakPolarHBondContact O-CD 3.5Å | ||
| 161 | Q | 58.1 | Low | 60.7 | Low | 164 Ų | 164 | 140 Ų | 140 | 77% | 0.766 | 72% | 0.724 | S | S | * | * | trans | -53 | 124.4 | 172.7 | -85.6 | 176.6 | -40.4 | 0 | 0 | 103.8 | V159 R163 | V159-Q161 VanDerWaalsContact C-N 3.27Å; V159-Q161 PolarHBondContact O-N 3.33Å; Q161-R163 PolarHBondContact O-N 3.16Å | ||
| 162 | P | 55.6 | Low | 60.4 | Low | 106 Ų | 106 | 141.1 Ų | 141.1 | 69% | 0.688 | 73% | 0.73 | S | S | * | * | trans | -48.8 | 133.9 | 168.8 | -19.4 | 29.9 | 0 | 0 | 0 | 105.5 | R160 I164 | R160-P162 WeakPolarHBondContact O-CD 3.5Å; P162-I164 VanDerWaalsContact C-N 3.3Å; P162-I164 PolarHBondContact O-N 3.07Å | ||
| 163 | R | 55.2 | Low | 60.7 | Low | 246 Ų | 246 | 139.9 Ų | 139.9 | 93% | 0.928 | 71% | 0.707 | S | S | * | * | trans | -50.2 | 105.2 | 173.7 | -72.3 | 180 | -178.9 | 168.6 | -1.2 | 106 | Q161 A165 | Q161-R163 PolarHBondContact O-N 3.16Å; R163-A165 PolarHBondContact O-N 3.46Å; R163-A165 VanDerWaalsContact O-N 3.08Å | ||
| 164 | I | 59.6 | Low | 61.5 | Low | 131 Ų | 131 | 132.7 Ų | 132.7 | 67% | 0.672 | 69% | 0.689 | S | S | * | * | trans | -59.5 | 119.2 | 162.2 | -58.8 | 174.6 | 0 | 0 | 0 | 101.9 | P162 V166 | P162-I164 VanDerWaalsContact C-N 3.3Å; P162-I164 PolarHBondContact O-N 3.07Å; I164-V166 HydrophobicContact CB-CG2 4.05Å; I164-V166 HydrophobicContact CG2-CG2 3.71Å; I164-V166 PolarHBondContact O-N 2.91Å | ||
| 165 | A | 46.3 | Very low | 62.7 | Low | 103 Ų | 103 | 127.6 Ų | 127.6 | 85% | 0.851 | 66% | 0.655 | S | S | * | * | trans | -66.3 | 71.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107 | R163 | R163-A165 PolarHBondContact O-N 3.46Å; R163-A165 VanDerWaalsContact O-N 3.08Å | ||
| 166 | V | 58.3 | Low | 63.9 | Low | 100 Ų | 100 | 126.7 Ų | 126.7 | 61% | 0.606 | 65% | 0.65 | S | S | * | * | trans | -71.4 | 125.1 | 161.7 | -179.1 | 0 | 0 | 0 | 0 | 103.8 | I164 D168 | I164-V166 HydrophobicContact CB-CG2 4.05Å; I164-V166 HydrophobicContact CG2-CG2 3.71Å; I164-V166 PolarHBondContact O-N 2.91Å; V166-D168 PolarHBondContact O-N 3.4Å | ||
| 167 | E | 53.3 | Low | 65.3 | Low | 180 Ų | 180 | 123.5 Ų | 123.5 | 84% | 0.841 | 63% | 0.629 | S | S | * | * | trans | -40.5 | 134 | 179.8 | -73 | -151.1 | 141.5 | 0 | 0 | 111.3 | R169 | E167-R169 PolarHBondContact O-N 2.8Š| ||
| 168 | D | 46.6 | Very low | 66.9 | Low | 155 Ų | 155 | 116.3 Ų | 116.3 | 83% | 0.829 | 61% | 0.61 | S | S | * | * | trans | -67.6 | 70.1 | -171.8 | -161.7 | 13.9 | 0 | 0 | 0 | 110.5 | V166 P170 | V166-D168 PolarHBondContact O-N 3.4Å; D168-P170 VanDerWaalsContact O-CD 3.28Å; D168-P170 WeakPolarHBondContact O-CD 3.36Å | ||
| 169 | R | 55.6 | Low | 68.3 | Low | 206 Ų | 206 | 113.1 Ų | 113.1 | 78% | 0.777 | 60% | 0.595 | S | S | * | * | trans | -90.1 | 101.8 | 154.7 | -170.9 | 164.1 | 167.4 | -175.7 | -4.9 | 104.5 | E167 H171 | E167-R169 PolarHBondContact O-N 2.8Å; R169-H171 PolarHBondContact O-N 2.78Å; R169-H171 PolarHBondContact O-ND1 3.48Å | ||
| 170 | P | 58.8 | Low | 69.7 | Low | 80 Ų | 80 | 112.7 Ų | 112.7 | 52% | 0.519 | 59% | 0.585 | S | S | . | * | trans | -56.7 | 116.9 | 173 | 25.1 | -32.9 | 0 | 0 | 0 | 104.8 | D168 T172 | D168-P170 VanDerWaalsContact O-CD 3.28Å; D168-P170 WeakPolarHBondContact O-CD 3.36Å; P170-T172 HydrophobicContact CB-CG2 4.02Å; P170-T172 HydrophobicContact CG-CG2 4.4Å; P170-T172 PolarHBondContact O-N 2.9Å | ||
| 171 | H | 66.6 | Low | 71.4 | Confident | 153 Ų | 153 | 109.7 Ų | 109.7 | 71% | 0.708 | 57% | 0.574 | S | S | * | * | trans | -71.3 | 67.2 | -179.9 | -72.4 | 69.1 | 0 | 0 | 0 | 107 | R169 | R169-H171 PolarHBondContact O-N 2.78Å; R169-H171 PolarHBondContact O-ND1 3.48Å | ||
| 172 | T | 82.2 | Confident | 72.8 | Confident | 36 Ų | 36 | 103.9 Ų | 103.9 | 22% | 0.221 | 55% | 0.546 | C | S | . | . | P | Polyproline II helix | trans | -82.6 | 122.2 | 176.7 | 55.9 | 0 | 0 | 0 | 0 | 106.6 | P170 R181 F182 | P170-T172 HydrophobicContact CB-CG2 4.02Å; P170-T172 HydrophobicContact CG-CG2 4.4Å; P170-T172 PolarHBondContact O-N 2.9Å; T172-R181 VanDerWaalsContact OG1-CZ 3.26Å; T172-R181 PolarHBondContact OG1-NE 3.02Å; T172-R181 PolarHBondContact OG1-NH2 3.39Å; T172-F182 CarbonylContact C-O 3.53Å; T172-F182 WeakPolarHBondContact CA-O 3.41Å |
| 173 | V | 84 | Confident | 74.4 | Confident | 53 Ų | 53 | 105 Ų | 105 | 32% | 0.321 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.8 | 121.1 | 172.3 | -169 | 0 | 0 | 0 | 0 | 106.6 | F182 A185 M188 | V173-F182 PolarHBondContact N-O 3.3Å; V173-F182 PolarHBondContact O-N 3.32Å; V173-A185 HydrophobicContact CG2-CB 4.21Å; V173-M188 HydrophobicContact CB-CB 4.31Å; V173-M188 HydrophobicContact CB-SD 4.37Å; V173-M188 HydrophobicContact CG1-CB 4.26Å; V173-M188 HydrophobicContact CG1-CE 4.3Å; V173-M188 HydrophobicContact CG1-CG 4.18Å; V173-M188 HydrophobicContact CG1-SD 3.35Å; V173-M188 WeakPolarHBondContact CG1-SD 3.1Å |
| 174 | A | 90.8 | Very high | 76 | Confident | 40 Ų | 40 | 97.1 Ų | 97.1 | 33% | 0.331 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 140.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | E180 R181 | A174-E180 CarbonylContact C-O 3.44Å; A174-E180 VanDerWaalsContact CA-O 3.26Å; A174-E180 WeakPolarHBondContact CA-O 3.43Å; A174-R181 HydrophobicContact CB-CG 4.44Å |
| 175 | C | 90.2 | Very high | 77.5 | Confident | 3 Ų | 3 | 93.6 Ų | 93.6 | 2% | 0.02 | 52% | 0.521 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 132.6 | 168.2 | 179.8 | 0 | 0 | 0 | 0 | 109.6 | D177 C178 G179 E180 F182 M188 H191 H196 | C175-D177 PolarHBondContact O-N 3.48Å; C175-D177 PolarHBondContact SG-N 3.14Å; C175-D177 VanDerWaalsContact SG-N 3.41Å; C175-C178 VanDerWaalsContact SG-SG 3.63Å; C175-G179 WeakPolarHBondContact O-CA 3.26Å; C175-G179 PolarHBondContact O-N 2.92Å; C175-E180 PolarHBondContact N-O 3.41Å; C175-F182 HydrophobicContact CB-CE2 4.19Å; C175-M188 HydrophobicContact CB-CG 4.45Å; C175-H191 PolarHBondContact SG-CD2 3.49Å; C175-H191 PolarHBondContact SG-NE2 3.32Å; C175-H196 VanDerWaalsContact SG-CD2 3.59Å |
| 176 | T | 89.2 | Confident | 79.5 | Confident | 106 Ų | 106 | 95.4 Ų | 95.4 | 65% | 0.65 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -25.8 | 177.8 | 49.4 | 0 | 0 | 0 | 0 | 112.9 | R192 | T176-R192 PolarHBondContact OG1-NE 2.85Å; T176-R192 PolarHBondContact OG1-NH2 2.91Å |
| 177 | D | 88.9 | Confident | 81.1 | Confident | 59 Ų | 59 | 91.9 Ų | 91.9 | 32% | 0.316 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -31.6 | -167.7 | -47.1 | -39.8 | 0 | 0 | 0 | 111.9 | C175 R192 H196 | C175-D177 PolarHBondContact O-N 3.48Å; C175-D177 PolarHBondContact SG-N 3.14Å; C175-D177 VanDerWaalsContact SG-N 3.41Å; D177-R192 IonicContact OD1-NH2 3.03Å; D177-R192 PolarHBondContact OD1-NH2 3.3Å; D177-R192 IonicContact OD2-CZ 3.88Å; D177-R192 VanDerWaalsContact OD2-CZ 3.26Å; D177-R192 IonicContact OD2-NE 3.42Å; D177-R192 PolarHBondContact OD2-NE 3.15Å; D177-R192 IonicContact OD2-NH2 2.88Å; D177-R192 PolarHBondContact OD2-NH2 2.85Å; D177-H196 HydrophobicContact CB-CB 4.16Å; D177-H196 IonicContact OD2-CG 3.3Å |
| 178 | C | 91.8 | Very high | 83 | Confident | 62 Ų | 62 | 84.5 Ų | 84.5 | 42% | 0.419 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.4 | -8.2 | 177.5 | 66.9 | 0 | 0 | 0 | 0 | 115.6 | C175 E180 H191 H196 | C175-C178 VanDerWaalsContact SG-SG 3.63Å; C178-E180 VanDerWaalsContact C-N 3.31Å; C178-E180 PolarHBondContact O-N 2.84Å; C178-E180 PolarHBondContact SG-N 3.49Å; C178-H191 PolarHBondContact SG-CE1 3.23Å; C178-H191 PolarHBondContact SG-NE2 3.12Å; C178-H196 VanDerWaalsContact CB-NE2 3.29Å; C178-H196 WeakPolarHBondContact CB-NE2 3.28Å; C178-H196 PolarHBondContact SG-NE2 3.1Å |
| 179 | G | 88 | Confident | 85.1 | Confident | 43 Ų | 43 | 80.6 Ų | 80.6 | 44% | 0.443 | 44% | 0.44 | S | S | . | . | trans | 78.4 | 1.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | C175 R181 | C175-G179 WeakPolarHBondContact O-CA 3.26Å; C175-G179 PolarHBondContact O-N 2.92Å; G179-R181 PolarHBondContact O-N 3.18Å | ||
| 180 | E | 88.1 | Confident | 86.8 | Confident | 106 Ų | 106 | 75.1 Ų | 75.1 | 50% | 0.495 | 43% | 0.425 | S | S | . | . | trans | -58.4 | 136.8 | 176.1 | -77 | -161.2 | 154.3 | 0 | 0 | 111.6 | A174 C175 C178 F182 H191 | A174-E180 CarbonylContact C-O 3.44Å; A174-E180 VanDerWaalsContact CA-O 3.26Å; A174-E180 WeakPolarHBondContact CA-O 3.43Å; C175-E180 PolarHBondContact N-O 3.41Å; C178-E180 VanDerWaalsContact C-N 3.31Å; C178-E180 PolarHBondContact O-N 2.84Å; C178-E180 PolarHBondContact SG-N 3.49Å; E180-F182 HydrophobicContact CB-CE2 3.62Å; E180-F182 HydrophobicContact CB-CZ 3.74Å; E180-F182 WeakPolarHBondContact O-CD2 3.26Å; E180-F182 VanDerWaalsContact O-CE2 3.23Å; E180-F182 WeakPolarHBondContact O-CE2 3.31Å; E180-H191 IonicContact OE2-CE1 2.96Å; E180-H191 PolarHBondContact OE2-CE1 3.17Å; E180-H191 IonicContact OE2-ND1 3.79Å; E180-H191 PolarHBondContact OE2-ND1 2.84Å | ||
| 181 | R | 91.3 | Very high | 88.4 | Confident | 172 Ų | 172 | 72.2 Ų | 72.2 | 65% | 0.649 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 124.8 | -172.2 | -58.3 | -174.3 | 78.7 | 95.1 | -4.9 | 110.8 | T172 A174 G179 | T172-R181 VanDerWaalsContact OG1-CZ 3.26Å; T172-R181 PolarHBondContact OG1-NE 3.02Å; T172-R181 PolarHBondContact OG1-NH2 3.39Å; A174-R181 HydrophobicContact CB-CG 4.44Å; G179-R181 PolarHBondContact O-N 3.18Å |
| 182 | F | 89 | Confident | 89.7 | Confident | 42 Ų | 42 | 66 Ų | 66 | 18% | 0.184 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 142.4 | -178.9 | -61 | -85.7 | 0 | 0 | 0 | 111.1 | T172 V173 C175 E180 T184 M188 H191 | T172-F182 CarbonylContact C-O 3.53Å; T172-F182 WeakPolarHBondContact CA-O 3.41Å; V173-F182 PolarHBondContact N-O 3.3Å; V173-F182 PolarHBondContact O-N 3.32Å; C175-F182 HydrophobicContact CB-CE2 4.19Å; E180-F182 HydrophobicContact CB-CE2 3.62Å; E180-F182 HydrophobicContact CB-CZ 3.74Å; E180-F182 WeakPolarHBondContact O-CD2 3.26Å; E180-F182 VanDerWaalsContact O-CE2 3.23Å; E180-F182 WeakPolarHBondContact O-CE2 3.31Å; F182-T184 PolarHBondContact O-N 3.45Å; F182-M188 HydrophobicContact CB-CB 4.01Å; F182-M188 VanDerWaalsContact CD2-CA 3.42Å; F182-M188 HydrophobicContact CD2-CB 3.56Å; F182-M188 HydrophobicContact CD2-CG 3.97Å; F182-M188 HydrophobicContact CE2-CB 4.39Å; F182-M188 HydrophobicContact CE2-CG 4.49Å; F182-M188 HydrophobicContact CG-CB 3.92Å; F182-H191 HydrophobicContact CD1-CB 4.46Å; F182-H191 HydrophobicContact CE1-CB 3.56Å; F182-H191 HydrophobicContact CE2-CB 3.73Å; F182-H191 AromaticContact CE2-CD2 3.74Å; F182-H191 AromaticContact CE2-CG 3.59Å; F182-H191 HydrophobicContact CZ-CB 3.16Å; F182-H191 AromaticContact CZ-CD2 3.78Å; F182-H191 AromaticContact CZ-CG 3.14Å; F182-H191 AromaticContact CZ-ND1 3.42Å; F182-H191 WeakPolarHBondContact CZ-ND1 3.44Å |
| 183 | T | 88.8 | Confident | 90.2 | Very high | 128 Ų | 128 | 70.8 Ų | 70.8 | 79% | 0.785 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -70.9 | -13.2 | 176.6 | 56.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 184 | T | 89.5 | Confident | 90.6 | Very high | 82 Ų | 82 | 72.6 Ų | 72.6 | 50% | 0.503 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -142 | 141.5 | -177.7 | -47.7 | 0 | 0 | 0 | 0 | 110.2 | F182 M186 G187 M188 | F182-T184 PolarHBondContact O-N 3.45Å; T184-M186 VanDerWaalsContact C-N 3.27Å; T184-M186 HydrophobicContact CG2-CB 4.16Å; T184-M186 PolarHBondContact O-N 3.3Å; T184-G187 WeakPolarHBondContact O-CA 3.5Å; T184-G187 PolarHBondContact O-N 3.39Å; T184-M188 PolarHBondContact O-N 3.48Å; T184-M188 VanDerWaalsContact O-N 3.14Å |
| 185 | A | 89.4 | Confident | 90.6 | Very high | 57 Ų | 57 | 73.2 Ų | 73.2 | 47% | 0.471 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -57.6 | -37.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V173 G187 M188 Q189 | V173-A185 HydrophobicContact CG2-CB 4.21Å; A185-G187 VanDerWaalsContact C-N 3.29Å; A185-G187 PolarHBondContact O-N 3.33Å; A185-M188 PolarHBondContact O-N 2.7Å; A185-Q189 PolarHBondContact O-N 3.31Å |
| 186 | M | 90.3 | Very high | 90.7 | Very high | 141 Ų | 141 | 74.4 Ų | 74.4 | 70% | 0.695 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -62.4 | -36.3 | 173.9 | -174.4 | 63.1 | 73.3 | 0 | 0 | 112.2 | T184 Q189 L190 | T184-M186 VanDerWaalsContact C-N 3.27Å; T184-M186 HydrophobicContact CG2-CB 4.16Å; T184-M186 PolarHBondContact O-N 3.3Å; M186-Q189 PolarHBondContact O-N 2.86Å; M186-L190 WeakPolarHBondContact O-CB 3.18Å; M186-L190 PolarHBondContact O-N 2.86Å |
| 187 | G | 91.3 | Very high | 90.7 | Very high | 25 Ų | 25 | 72.3 Ų | 72.3 | 26% | 0.258 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.9 | -44.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T184 A185 Q189 L190 H191 | T184-G187 WeakPolarHBondContact O-CA 3.5Å; T184-G187 PolarHBondContact O-N 3.39Å; A185-G187 VanDerWaalsContact C-N 3.29Å; A185-G187 PolarHBondContact O-N 3.33Å; G187-Q189 PolarHBondContact O-N 3.36Å; G187-L190 PolarHBondContact O-N 3.13Å; G187-H191 PolarHBondContact O-N 2.89Å |
| 188 | M | 92.5 | Very high | 90.6 | Very high | 26 Ų | 26 | 77.1 Ų | 77.1 | 13% | 0.128 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 172.5 | 179.3 | -138.6 | 58.1 | 0 | 0 | 111.5 | V173 C175 F182 T184 A185 L190 H191 R192 | V173-M188 HydrophobicContact CB-CB 4.31Å; V173-M188 HydrophobicContact CB-SD 4.37Å; V173-M188 HydrophobicContact CG1-CB 4.26Å; V173-M188 HydrophobicContact CG1-CE 4.3Å; V173-M188 HydrophobicContact CG1-CG 4.18Å; V173-M188 HydrophobicContact CG1-SD 3.35Å; V173-M188 WeakPolarHBondContact CG1-SD 3.1Å; C175-M188 HydrophobicContact CB-CG 4.45Å; F182-M188 HydrophobicContact CB-CB 4.01Å; F182-M188 VanDerWaalsContact CD2-CA 3.42Å; F182-M188 HydrophobicContact CD2-CB 3.56Å; F182-M188 HydrophobicContact CD2-CG 3.97Å; F182-M188 HydrophobicContact CE2-CB 4.39Å; F182-M188 HydrophobicContact CE2-CG 4.49Å; F182-M188 HydrophobicContact CG-CB 3.92Å; T184-M188 PolarHBondContact O-N 3.48Å; T184-M188 VanDerWaalsContact O-N 3.14Å; A185-M188 PolarHBondContact O-N 2.7Å; M188-L190 VanDerWaalsContact C-N 3.34Å; M188-L190 PolarHBondContact O-N 2.97Å; M188-H191 WeakPolarHBondContact O-CB 3.2Å; M188-H191 PolarHBondContact O-N 3.3Å; M188-R192 WeakPolarHBondContact O-CG 3.11Å; M188-R192 PolarHBondContact O-N 3.16Å |
| 189 | Q | 90.6 | Very high | 90.5 | Very high | 73 Ų | 73 | 77.8 Ų | 77.8 | 34% | 0.341 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.1 | -37.3 | 179.1 | -165.9 | 68.2 | 0.1 | 0 | 0 | 112.4 | A185 M186 G187 R193 F200 | A185-Q189 PolarHBondContact O-N 3.31Å; M186-Q189 PolarHBondContact O-N 2.86Å; G187-Q189 PolarHBondContact O-N 3.36Å; Q189-R193 WeakPolarHBondContact O-CB 3.47Å; Q189-R193 PolarHBondContact O-N 2.98Å; Q189-F200 HydrophobicContact CG-CE2 3.89Å |
| 190 | L | 92.3 | Very high | 90.5 | Very high | 91 Ų | 91 | 77.3 Ų | 77.3 | 48% | 0.476 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 173.4 | 175.7 | 64.2 | 0 | 0 | 0 | 110.9 | M186 G187 M188 R193 S194 | M186-L190 WeakPolarHBondContact O-CB 3.18Å; M186-L190 PolarHBondContact O-N 2.86Å; G187-L190 PolarHBondContact O-N 3.13Å; M188-L190 VanDerWaalsContact C-N 3.34Å; M188-L190 PolarHBondContact O-N 2.97Å; L190-R193 PolarHBondContact O-N 3.38Å; L190-S194 PolarHBondContact O-N 3.3Å; L190-S194 VanDerWaalsContact O-N 3.09Å; L190-S194 PolarHBondContact O-OG 3.36Å |
| 191 | H | 92.8 | Very high | 90.5 | Very high | 19 Ų | 19 | 76.2 Ų | 76.2 | 9% | 0.088 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.4 | -48.8 | 174.6 | 160.4 | 93.1 | 0 | 0 | 0 | 111.4 | C175 C178 E180 F182 G187 M188 R193 S194 A195 H196 | C175-H191 PolarHBondContact SG-CD2 3.49Å; C175-H191 PolarHBondContact SG-NE2 3.32Å; C178-H191 PolarHBondContact SG-CE1 3.23Å; C178-H191 PolarHBondContact SG-NE2 3.12Å; E180-H191 IonicContact OE2-CE1 2.96Å; E180-H191 PolarHBondContact OE2-CE1 3.17Å; E180-H191 IonicContact OE2-ND1 3.79Å; E180-H191 PolarHBondContact OE2-ND1 2.84Å; F182-H191 HydrophobicContact CD1-CB 4.46Å; F182-H191 HydrophobicContact CE1-CB 3.56Å; F182-H191 HydrophobicContact CE2-CB 3.73Å; F182-H191 AromaticContact CE2-CD2 3.74Å; F182-H191 AromaticContact CE2-CG 3.59Å; F182-H191 HydrophobicContact CZ-CB 3.16Å; F182-H191 AromaticContact CZ-CD2 3.78Å; F182-H191 AromaticContact CZ-CG 3.14Å; F182-H191 AromaticContact CZ-ND1 3.42Å; F182-H191 WeakPolarHBondContact CZ-ND1 3.44Å; G187-H191 PolarHBondContact O-N 2.89Å; M188-H191 WeakPolarHBondContact O-CB 3.2Å; M188-H191 PolarHBondContact O-N 3.3Å; H191-R193 VanDerWaalsContact C-N 3.26Å; H191-R193 PolarHBondContact O-N 3.01Å; H191-S194 PolarHBondContact O-N 2.65Å; H191-S194 PolarHBondContact O-OG 2.88Å; H191-S194 VanDerWaalsContact O-OG 3.08Å; H191-A195 WeakPolarHBondContact O-CB 3.29Å; H191-A195 PolarHBondContact O-N 3.47Å; H191-H196 AromaticContact NE2-CD2 3.39Å; H191-H196 PolarHBondContact NE2-CD2 3.39Å; H191-H196 AromaticContact NE2-NE2 3.45Å; H191-H196 PolarHBondContact NE2-NE2 2.92Å |
| 192 | R | 93.2 | Very high | 90.2 | Very high | 22 Ų | 22 | 71.7 Ų | 71.7 | 8% | 0.083 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -57.4 | -43.2 | 178.1 | -71.2 | -169.1 | 76.7 | -157.4 | -1.8 | 110.9 | T176 D177 M188 S194 H196 F200 D203 | T176-R192 PolarHBondContact OG1-NE 2.85Å; T176-R192 PolarHBondContact OG1-NH2 2.91Å; D177-R192 IonicContact OD1-NH2 3.03Å; D177-R192 PolarHBondContact OD1-NH2 3.3Å; D177-R192 IonicContact OD2-CZ 3.88Å; D177-R192 VanDerWaalsContact OD2-CZ 3.26Å; D177-R192 IonicContact OD2-NE 3.42Å; D177-R192 PolarHBondContact OD2-NE 3.15Å; D177-R192 IonicContact OD2-NH2 2.88Å; D177-R192 PolarHBondContact OD2-NH2 2.85Å; M188-R192 WeakPolarHBondContact O-CG 3.11Å; M188-R192 PolarHBondContact O-N 3.16Å; R192-S194 VanDerWaalsContact C-N 3.3Å; R192-S194 PolarHBondContact O-N 3.42Å; R192-H196 CarbonylContact O-C 3.39Å; R192-H196 VanDerWaalsContact O-CA 3.27Å; R192-H196 WeakPolarHBondContact O-CA 3.14Å; R192-H196 WeakPolarHBondContact O-CB 3.47Å; R192-H196 PolarHBondContact O-N 2.86Å; R192-F200 HydrophobicContact CB-CD2 3.87Å; R192-D203 IonicContact CZ-OD2 3.26Å; R192-D203 VanDerWaalsContact CZ-OD2 3.22Å; R192-D203 IonicContact NH1-OD2 3.77Å; R192-D203 PolarHBondContact NH1-OD2 3.3Å; R192-D203 IonicContact NH2-OD2 2.9Å; R192-D203 PolarHBondContact NH2-OD2 3.03Å |
| 193 | R | 91.6 | Very high | 90 | Very high | 137 Ų | 137 | 74.5 Ų | 74.5 | 52% | 0.517 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.2 | -33.6 | 177.2 | -175.3 | 172.1 | 62.8 | -147.6 | 3.5 | 113.6 | Q189 L190 H191 F200 | Q189-R193 WeakPolarHBondContact O-CB 3.47Å; Q189-R193 PolarHBondContact O-N 2.98Å; L190-R193 PolarHBondContact O-N 3.38Å; H191-R193 VanDerWaalsContact C-N 3.26Å; H191-R193 PolarHBondContact O-N 3.01Å; R193-F200 HydrophobicContact CB-CD1 4.34Å; R193-F200 HydrophobicContact CB-CD2 4.04Å; R193-F200 HydrophobicContact CB-CE1 4.22Å; R193-F200 HydrophobicContact CB-CE2 3.82Å; R193-F200 HydrophobicContact CB-CG 4.27Å; R193-F200 HydrophobicContact CB-CZ 3.96Å; R193-F200 HydrophobicContact CG-CD1 4.34Å; R193-F200 HydrophobicContact CG-CE1 4.07Å; R193-F200 HydrophobicContact CG-CZ 4.17Å |
| 194 | S | 93 | Very high | 89.5 | Confident | 90 Ų | 90 | 76.6 Ų | 76.6 | 63% | 0.629 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -92.4 | -40.8 | -177.7 | 56.2 | 0 | 0 | 0 | 0 | 114.3 | L190 H191 R192 | L190-S194 PolarHBondContact O-N 3.3Å; L190-S194 VanDerWaalsContact O-N 3.09Å; L190-S194 PolarHBondContact O-OG 3.36Å; H191-S194 PolarHBondContact O-N 2.65Å; H191-S194 PolarHBondContact O-OG 2.88Å; H191-S194 VanDerWaalsContact O-OG 3.08Å; R192-S194 VanDerWaalsContact C-N 3.3Å; R192-S194 PolarHBondContact O-N 3.42Å |
| 195 | A | 91.8 | Very high | 88.9 | Confident | 54 Ų | 54 | 77.8 Ų | 77.8 | 45% | 0.446 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -93.4 | -29.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | H191 P197 | H191-A195 WeakPolarHBondContact O-CB 3.29Å; H191-A195 PolarHBondContact O-N 3.47Å; A195-P197 WeakPolarHBondContact O-CD 3.23Å |
| 196 | H | 90.8 | Very high | 88.2 | Confident | 28 Ų | 28 | 84.7 Ų | 84.7 | 13% | 0.13 | 44% | 0.436 | C | S | . | . | trans | -127.3 | 56.9 | -176.5 | -60 | -65.5 | 0 | 0 | 0 | 111.1 | C175 D177 C178 H191 R192 E198 E199 F200 | C175-H196 VanDerWaalsContact SG-CD2 3.59Å; D177-H196 HydrophobicContact CB-CB 4.16Å; D177-H196 IonicContact OD2-CG 3.3Å; C178-H196 VanDerWaalsContact CB-NE2 3.29Å; C178-H196 WeakPolarHBondContact CB-NE2 3.28Å; C178-H196 PolarHBondContact SG-NE2 3.1Å; H191-H196 AromaticContact NE2-CD2 3.39Å; H191-H196 PolarHBondContact NE2-CD2 3.39Å; H191-H196 AromaticContact NE2-NE2 3.45Å; H191-H196 PolarHBondContact NE2-NE2 2.92Å; R192-H196 CarbonylContact O-C 3.39Å; R192-H196 VanDerWaalsContact O-CA 3.27Å; R192-H196 WeakPolarHBondContact O-CA 3.14Å; R192-H196 WeakPolarHBondContact O-CB 3.47Å; R192-H196 PolarHBondContact O-N 2.86Å; H196-E198 VanDerWaalsContact C-N 3.25Å; H196-E198 PolarHBondContact O-N 2.87Å; H196-E199 WeakPolarHBondContact CA-OE2 3.27Å; H196-E199 HydrophobicContact CB-CB 4.26Å; H196-E199 HydrophobicContact CB-CG 4.5Å; H196-E199 VanDerWaalsContact CB-OE2 3.23Å; H196-E199 WeakPolarHBondContact CB-OE2 3.47Å; H196-E199 PolarHBondContact O-N 3.15Å; H196-F200 WeakPolarHBondContact O-CB 3.36Å; H196-F200 PolarHBondContact O-N 2.84Å | ||
| 197 | P | 89.5 | Confident | 87.5 | Confident | 62 Ų | 62 | 85.2 Ų | 85.2 | 40% | 0.403 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.2 | -30.2 | -172.8 | 27.3 | -35.3 | 0 | 0 | 0 | 112.6 | A195 N201 | A195-P197 WeakPolarHBondContact O-CD 3.23Å; P197-N201 WeakPolarHBondContact O-CB 3.45Å; P197-N201 PolarHBondContact O-N 3.24Å; P197-N201 VanDerWaalsContact O-N 3.12Å; P197-N201 PolarHBondContact O-ND2 3.49Å |
| 198 | E | 87.6 | Confident | 86.8 | Confident | 160 Ų | 160 | 93.4 Ų | 93.4 | 75% | 0.748 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -72.9 | -48.5 | -179.4 | -65.8 | -171.3 | 178.1 | 0 | 0 | 111 | H196 N201 A202 | H196-E198 VanDerWaalsContact C-N 3.25Å; H196-E198 PolarHBondContact O-N 2.87Å; E198-N201 PolarHBondContact O-N 3.44Å; E198-A202 WeakPolarHBondContact O-CB 3.28Å; E198-A202 PolarHBondContact O-N 3.03Å |
| 199 | E | 88.3 | Confident | 86.2 | Confident | 76 Ų | 76 | 100.6 Ų | 100.6 | 36% | 0.355 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 178.9 | -56.1 | 83 | 171.9 | 0 | 0 | 110.5 | H196 N201 A202 D203 | H196-E199 WeakPolarHBondContact CA-OE2 3.27Å; H196-E199 HydrophobicContact CB-CB 4.26Å; H196-E199 HydrophobicContact CB-CG 4.5Å; H196-E199 VanDerWaalsContact CB-OE2 3.23Å; H196-E199 WeakPolarHBondContact CB-OE2 3.47Å; H196-E199 PolarHBondContact O-N 3.15Å; E199-N201 VanDerWaalsContact C-N 3.27Å; E199-N201 PolarHBondContact O-N 3.49Å; E199-A202 PolarHBondContact O-N 3.39Å; E199-A202 VanDerWaalsContact O-N 3.14Å; E199-D203 PolarHBondContact O-N 3.32Å |
| 200 | F | 88.3 | Confident | 85.9 | Confident | 32 Ų | 32 | 101.1 Ų | 101.1 | 14% | 0.14 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -57.7 | -39.6 | 174.2 | -179.4 | -88.2 | 0 | 0 | 0 | 112.5 | Q189 R192 R193 H196 R204 | Q189-F200 HydrophobicContact CG-CE2 3.89Å; R192-F200 HydrophobicContact CB-CD2 3.87Å; R193-F200 HydrophobicContact CB-CD1 4.34Å; R193-F200 HydrophobicContact CB-CD2 4.04Å; R193-F200 HydrophobicContact CB-CE1 4.22Å; R193-F200 HydrophobicContact CB-CE2 3.82Å; R193-F200 HydrophobicContact CB-CG 4.27Å; R193-F200 HydrophobicContact CB-CZ 3.96Å; R193-F200 HydrophobicContact CG-CD1 4.34Å; R193-F200 HydrophobicContact CG-CE1 4.07Å; R193-F200 HydrophobicContact CG-CZ 4.17Å; H196-F200 WeakPolarHBondContact O-CB 3.36Å; H196-F200 PolarHBondContact O-N 2.84Å; F200-R204 PolarHBondContact O-N 2.96Å |
| 201 | N | 87.8 | Confident | 85.6 | Confident | 84 Ų | 84 | 105 Ų | 105 | 45% | 0.449 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -77.6 | -27.6 | 178.3 | -74.8 | -31.1 | 0 | 0 | 0 | 112.9 | P197 E198 E199 | P197-N201 WeakPolarHBondContact O-CB 3.45Å; P197-N201 PolarHBondContact O-N 3.24Å; P197-N201 VanDerWaalsContact O-N 3.12Å; P197-N201 PolarHBondContact O-ND2 3.49Å; E198-N201 PolarHBondContact O-N 3.44Å; E199-N201 VanDerWaalsContact C-N 3.27Å; E199-N201 PolarHBondContact O-N 3.49Å |
| 202 | A | 86.6 | Confident | 85.5 | Confident | 77 Ų | 77 | 105.2 Ų | 105.2 | 64% | 0.636 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -71.4 | -41.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E198 E199 R204 | E198-A202 WeakPolarHBondContact O-CB 3.28Å; E198-A202 PolarHBondContact O-N 3.03Å; E199-A202 PolarHBondContact O-N 3.39Å; E199-A202 VanDerWaalsContact O-N 3.14Å; A202-R204 PolarHBondContact O-N 3.08Å |
| 203 | D | 83.2 | Confident | 85.4 | Confident | 100 Ų | 100 | 106.4 Ų | 106.4 | 54% | 0.535 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.5 | -22.7 | 178.4 | -78.1 | -6.1 | 0 | 0 | 0 | 113.2 | R192 E199 P205 | R192-D203 IonicContact CZ-OD2 3.26Å; R192-D203 VanDerWaalsContact CZ-OD2 3.22Å; R192-D203 IonicContact NH1-OD2 3.77Å; R192-D203 PolarHBondContact NH1-OD2 3.3Å; R192-D203 IonicContact NH2-OD2 2.9Å; R192-D203 PolarHBondContact NH2-OD2 3.03Å; E199-D203 PolarHBondContact O-N 3.32Å; D203-P205 VanDerWaalsContact O-CD 3.26Å; D203-P205 WeakPolarHBondContact O-CD 3.49Å |
| 204 | R | 80.2 | Confident | 85.5 | Confident | 173 Ų | 173 | 108.2 Ų | 108.2 | 65% | 0.653 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -70.6 | 120.6 | -178.6 | -167.1 | 173.6 | 179.6 | -153 | -0.9 | 109.7 | F200 A202 R206 | F200-R204 PolarHBondContact O-N 2.96Å; A202-R204 PolarHBondContact O-N 3.08Å; R204-R206 PolarHBondContact O-N 2.76Å |
| 205 | P | 75.2 | Confident | 85.5 | Confident | 106 Ų | 106 | 109.9 Ų | 109.9 | 69% | 0.688 | 54% | 0.541 | S | S | * | . | trans | -56.2 | 114.1 | 173.7 | -22.1 | 32.4 | 0 | 0 | 0 | 109.2 | D203 E207 | D203-P205 VanDerWaalsContact O-CD 3.26Å; D203-P205 WeakPolarHBondContact O-CD 3.49Å; P205-E207 PolarHBondContact O-N 3.04Å | ||
| 206 | R | 76.1 | Confident | 85.6 | Confident | 202 Ų | 202 | 108.3 Ų | 108.3 | 76% | 0.762 | 52% | 0.524 | S | S | * | . | trans | -75.8 | 85.6 | 173.5 | -66.7 | -174.2 | -178.6 | -139.2 | 2.9 | 107.5 | R204 K208 | R204-R206 PolarHBondContact O-N 2.76Å; R206-K208 VanDerWaalsContact C-N 3.32Å; R206-K208 PolarHBondContact O-N 3.32Å | ||
| 207 | E | 74.5 | Confident | 85.8 | Confident | 153 Ų | 153 | 108.1 Ų | 108.1 | 72% | 0.715 | 53% | 0.525 | S | S | * | . | trans | -60.2 | 96.6 | 169.1 | -71.3 | -178.1 | -174.4 | 0 | 0 | 108.9 | P205 K209 | P205-E207 PolarHBondContact O-N 3.04Å; E207-K209 VanDerWaalsContact C-N 3.25Å; E207-K209 PolarHBondContact O-N 2.95Å | ||
| 208 | K | 77.8 | Confident | 86.1 | Confident | 196 Ų | 196 | 108.1 Ų | 108.1 | 85% | 0.852 | 52% | 0.521 | S | S | * | . | trans | -74.3 | 84.1 | 172.6 | -65.8 | 178.7 | -174.1 | 173.8 | 0 | 107.7 | R206 A210 | R206-K208 VanDerWaalsContact C-N 3.32Å; R206-K208 PolarHBondContact O-N 3.32Å; K208-A210 PolarHBondContact O-N 2.7Å; K208-A210 VanDerWaalsContact O-N 3.11Å | ||
| 209 | K | 79.2 | Confident | 86.3 | Confident | 178 Ų | 178 | 100.6 Ų | 100.6 | 77% | 0.774 | 49% | 0.487 | S | S | * | . | trans | -60.8 | 115.2 | 170.8 | -66.5 | -178.9 | -179 | -178.5 | 0 | 108.1 | E207 R211 | E207-K209 VanDerWaalsContact C-N 3.25Å; E207-K209 PolarHBondContact O-N 2.95Å; K209-R211 PolarHBondContact O-N 3.08Å | ||
| 210 | A | 84 | Confident | 86.6 | Confident | 83 Ų | 83 | 97 Ų | 97 | 69% | 0.686 | 47% | 0.47 | S | S | * | . | trans | -58.9 | 128.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109 | K208 W212 | K208-A210 PolarHBondContact O-N 2.7Å; K208-A210 VanDerWaalsContact O-N 3.11Å; A210-W212 PolarHBondContact O-N 2.92Å; A210-W212 VanDerWaalsContact O-N 3.14Å | ||
| 211 | R | 87 | Confident | 86.9 | Confident | 172 Ų | 172 | 95.5 Ų | 95.5 | 65% | 0.649 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -59.3 | -26.1 | -179.4 | -178.5 | 173.4 | 178.4 | 134.6 | 4.1 | 113 | K209 M254 | K209-R211 PolarHBondContact O-N 3.08Å; R211-M254 HydrophobicContact CG-CE 4.25Å; R211-M254 VanDerWaalsContact NH2-CE 3.32Å; R211-M254 VanDerWaalsContact NH2-CG 3.34Å; R211-M254 PolarHBondContact NH2-SD 2.94Å |
| 212 | W | 90 | Very high | 87.2 | Confident | 25 Ų | 25 | 96.9 Ų | 96.9 | 10% | 0.095 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -114.5 | 126.2 | 177 | -74 | 80.6 | 0 | 0 | 0 | 108.9 | A210 E216 V217 L220 R250 M254 I255 Q258 | A210-W212 PolarHBondContact O-N 2.92Å; A210-W212 VanDerWaalsContact O-N 3.14Å; W212-E216 HydrophobicContact CE3-CB 3.77Å; W212-E216 HydrophobicContact CZ3-CB 4.2Å; W212-V217 HydrophobicContact CB-CG2 3.73Å; W212-V217 HydrophobicContact CE3-CG2 4.19Å; W212-V217 HydrophobicContact CG-CG2 4.39Å; W212-L220 HydrophobicContact CH2-CD2 3.8Å; W212-L220 HydrophobicContact CZ3-CB 4.38Å; W212-L220 HydrophobicContact CZ3-CD2 3.9Å; W212-R250 HydrophobicContact CH2-CB 4.2Å; W212-R250 HydrophobicContact CH2-CG 3.97Å; W212-R250 HydrophobicContact CZ2-CG 4.41Å; W212-R250 HydrophobicContact CZ3-CG 4.36Å; W212-M254 HydrophobicContact CZ2-CB 4.07Å; W212-I255 HydrophobicContact CH2-CG1 4.04Å; W212-I255 HydrophobicContact CZ2-CG1 4.45Å; W212-Q258 HydrophobicContact CD2-CB 4.43Å; W212-Q258 HydrophobicContact CD2-CG 4.13Å; W212-Q258 HydrophobicContact CE3-CG 4.29Å; W212-Q258 HydrophobicContact CH2-CB 4.34Å; W212-Q258 HydrophobicContact CZ2-CB 3.88Å; W212-Q258 HydrophobicContact CZ2-CG 4.35Å; W212-Q258 HydrophobicContact CZ3-CG 4.49Å |
| 213 | S | 91.5 | Very high | 87.5 | Confident | 47 Ų | 47 | 93.5 Ų | 93.5 | 33% | 0.329 | 44% | 0.436 | S | S | . | . | trans | -73.1 | 154 | 169.1 | 73.5 | 0 | 0 | 0 | 0 | 110.1 | F215 E216 V217 | S213-F215 PolarHBondContact O-N 3.29Å; S213-E216 PolarHBondContact O-N 3.33Å; S213-E216 VanDerWaalsContact O-N 3.11Å; S213-E216 WeakPolarHBondContact OG-CB 3.41Å; S213-E216 WeakPolarHBondContact OG-CG 3.11Å; S213-E216 PolarHBondContact OG-N 3.42Å; S213-E216 VanDerWaalsContact OG-N 3.13Å; S213-E216 PolarHBondContact OG-OE1 3.3Å; S213-V217 WeakPolarHBondContact O-CG2 3.44Å; S213-V217 PolarHBondContact O-N 3.32Å; S213-V217 VanDerWaalsContact O-N 3.09Å | ||
| 214 | K | 92.5 | Very high | 87.9 | Confident | 175 Ų | 175 | 90.1 Ų | 90.1 | 76% | 0.761 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -55.9 | -39 | 176.3 | -173.5 | 179.6 | 179.6 | -178.5 | 0 | 111.5 | V217 L218 | K214-V217 PolarHBondContact O-N 3.14Å; K214-L218 HydrophobicContact CG-CD1 4.15Å; K214-L218 WeakPolarHBondContact O-CG 3.33Å; K214-L218 PolarHBondContact O-N 2.98Å; K214-L218 VanDerWaalsContact O-N 3.08Å |
| 215 | F | 94.2 | Very high | 88.4 | Confident | 125 Ų | 125 | 82.7 Ų | 82.7 | 55% | 0.548 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.1 | -48.9 | 175.3 | 174.5 | -100.6 | 0 | 0 | 0 | 111.9 | S213 V217 L218 A219 H246 L248 | S213-F215 PolarHBondContact O-N 3.29Å; F215-V217 VanDerWaalsContact C-N 3.3Å; F215-V217 PolarHBondContact O-N 3.09Å; F215-L218 PolarHBondContact O-N 2.73Å; F215-A219 WeakPolarHBondContact O-CB 3.23Å; F215-A219 PolarHBondContact O-N 2.73Å; F215-H246 AromaticContact CZ-ND1 3.98Å; F215-L248 HydrophobicContact CD1-CD1 4.42Å; F215-L248 HydrophobicContact CE1-CD1 4.08Å |
| 216 | E | 94.2 | Very high | 89.1 | Confident | 20 Ų | 20 | 84 Ų | 84 | 9% | 0.093 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.2 | -39 | 179.2 | -73.3 | 168.8 | -145.2 | 0 | 0 | 112.6 | W212 S213 L220 L248 R250 | W212-E216 HydrophobicContact CE3-CB 3.77Å; W212-E216 HydrophobicContact CZ3-CB 4.2Å; S213-E216 PolarHBondContact O-N 3.33Å; S213-E216 VanDerWaalsContact O-N 3.11Å; S213-E216 WeakPolarHBondContact OG-CB 3.41Å; S213-E216 WeakPolarHBondContact OG-CG 3.11Å; S213-E216 PolarHBondContact OG-N 3.42Å; S213-E216 VanDerWaalsContact OG-N 3.13Å; S213-E216 PolarHBondContact OG-OE1 3.3Å; E216-L220 WeakPolarHBondContact O-CB 3.35Å; E216-L220 PolarHBondContact O-N 3.4Å; E216-L248 HydrophobicContact CB-CD1 4.47Å; E216-L248 HydrophobicContact CG-CD1 3.71Å; E216-L248 HydrophobicContact CG-CD2 4.15Å; E216-R250 IonicContact OE1-CZ 2.71Å; E216-R250 IonicContact OE1-NH2 3.3Å; E216-R250 PolarHBondContact OE1-NH2 3Å; E216-R250 IonicContact OE2-CZ 3.22Å; E216-R250 IonicContact OE2-NE 2.78Å; E216-R250 PolarHBondContact OE2-NE 2.92Å; E216-R250 IonicContact OE2-NH2 2.7Å; E216-R250 PolarHBondContact OE2-NH2 2.93Å |
| 217 | V | 94.2 | Very high | 89.6 | Confident | 25 Ų | 25 | 75.3 Ų | 75.3 | 15% | 0.152 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 177.1 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | W212 S213 K214 F215 A221 Q258 Y264 L267 | W212-V217 HydrophobicContact CB-CG2 3.73Å; W212-V217 HydrophobicContact CE3-CG2 4.19Å; W212-V217 HydrophobicContact CG-CG2 4.39Å; S213-V217 WeakPolarHBondContact O-CG2 3.44Å; S213-V217 PolarHBondContact O-N 3.32Å; S213-V217 VanDerWaalsContact O-N 3.09Å; K214-V217 PolarHBondContact O-N 3.14Å; F215-V217 VanDerWaalsContact C-N 3.3Å; F215-V217 PolarHBondContact O-N 3.09Å; V217-A221 WeakPolarHBondContact O-CB 3.38Å; V217-A221 PolarHBondContact O-N 3.15Å; V217-Q258 VanDerWaalsContact CG2-NE2 3.32Å; V217-Y264 HydrophobicContact CG1-CD2 3.91Å; V217-L267 HydrophobicContact CG1-CD2 3.99Å |
| 218 | L | 94.8 | Very high | 90 | Very high | 61 Ų | 61 | 72.1 Ų | 72.1 | 32% | 0.319 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.1 | -44.8 | 177.8 | -74.1 | 166 | 0 | 0 | 0 | 112 | K214 F215 L220 A221 K222 L267 | K214-L218 HydrophobicContact CG-CD1 4.15Å; K214-L218 WeakPolarHBondContact O-CG 3.33Å; K214-L218 PolarHBondContact O-N 2.98Å; K214-L218 VanDerWaalsContact O-N 3.08Å; F215-L218 PolarHBondContact O-N 2.73Å; L218-L220 PolarHBondContact O-N 3.21Å; L218-A221 PolarHBondContact O-N 2.72Å; L218-K222 WeakPolarHBondContact O-CG 3.5Å; L218-K222 PolarHBondContact O-N 2.96Å; L218-L267 HydrophobicContact CD2-CD1 3.73Å; L218-L267 HydrophobicContact CD2-CD2 3.85Å; L218-L267 HydrophobicContact CD2-CG 4.27Å; L218-L267 HydrophobicContact CG-CD2 4.49Å |
| 219 | A | 93.6 | Very high | 90 | Very high | 3 Ų | 3 | 67.9 Ų | 67.9 | 3% | 0.025 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -56.4 | -50.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F215 A221 K222 L223 L242 H246 | F215-A219 WeakPolarHBondContact O-CB 3.23Å; F215-A219 PolarHBondContact O-N 2.73Å; A219-A221 VanDerWaalsContact C-N 3.31Å; A219-A221 PolarHBondContact O-N 3.28Å; A219-K222 PolarHBondContact O-N 2.68Å; A219-L223 WeakPolarHBondContact O-CG 3.42Å; A219-L223 PolarHBondContact O-N 2.99Å; A219-L223 VanDerWaalsContact O-N 3.09Å; A219-L242 HydrophobicContact CB-CD1 4.14Å; A219-H246 WeakPolarHBondContact CB-NE2 3.34Å |
| 220 | L | 94.2 | Very high | 90 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.2 | -39 | 176.6 | -171.8 | 74.2 | 0 | 0 | 0 | 112 | W212 E216 L218 E224 L238 L242 I255 Q258 Y264 | W212-L220 HydrophobicContact CH2-CD2 3.8Å; W212-L220 HydrophobicContact CZ3-CB 4.38Å; W212-L220 HydrophobicContact CZ3-CD2 3.9Å; E216-L220 WeakPolarHBondContact O-CB 3.35Å; E216-L220 PolarHBondContact O-N 3.4Å; L218-L220 PolarHBondContact O-N 3.21Å; L220-E224 PolarHBondContact O-N 3.08Å; L220-E224 VanDerWaalsContact O-N 3.1Å; L220-L238 HydrophobicContact CD1-CB 3.96Å; L220-L238 HydrophobicContact CD1-CD1 4.3Å; L220-L238 HydrophobicContact CD1-CD2 4.4Å; L220-L238 HydrophobicContact CD1-CG 4.46Å; L220-L242 HydrophobicContact CB-CD1 4.35Å; L220-L242 HydrophobicContact CD1-CD1 4.38Å; L220-L242 HydrophobicContact CD1-CD2 4.39Å; L220-I255 HydrophobicContact CD1-CD1 4.43Å; L220-I255 HydrophobicContact CD1-CG1 4.2Å; L220-I255 HydrophobicContact CD1-CG2 4.02Å; L220-I255 HydrophobicContact CD2-CG2 4.2Å; L220-Q258 HydrophobicContact CD2-CB 4.21Å; L220-Q258 HydrophobicContact CD2-CG 4.1Å; L220-Y264 VanDerWaalsContact C-OH 3.31Å; L220-Y264 HydrophobicContact CB-CE2 4.12Å; L220-Y264 HydrophobicContact CD2-CE2 3.79Å; L220-Y264 HydrophobicContact CG-CE2 4.02Å; L220-Y264 WeakPolarHBondContact CG-OH 3.46Å; L220-Y264 PolarHBondContact O-OH 3.45Å |
| 221 | A | 94.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.3 | -38.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V217 L218 A219 E224 A225 Y264 L267 V268 L271 | V217-A221 WeakPolarHBondContact O-CB 3.38Å; V217-A221 PolarHBondContact O-N 3.15Å; L218-A221 PolarHBondContact O-N 2.72Å; A219-A221 VanDerWaalsContact C-N 3.31Å; A219-A221 PolarHBondContact O-N 3.28Å; A221-E224 PolarHBondContact O-N 3.01Å; A221-A225 WeakPolarHBondContact O-CB 3.37Å; A221-A225 PolarHBondContact O-N 2.95Å; A221-Y264 WeakPolarHBondContact CA-OH 3.44Å; A221-Y264 HydrophobicContact CB-CD2 4.3Å; A221-Y264 HydrophobicContact CB-CE2 3.7Å; A221-L267 HydrophobicContact CB-CB 4.5Å; A221-L267 HydrophobicContact CB-CD2 3.57Å; A221-L267 HydrophobicContact CB-CG 3.82Å; A221-V268 HydrophobicContact CB-CG2 3.81Å; A221-L271 HydrophobicContact CB-CD1 3.8Å |
| 222 | K | 94 | Very high | 89.7 | Confident | 113 Ų | 113 | 63.1 Ų | 63.1 | 49% | 0.491 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 174.8 | -74.9 | -178.6 | 178.1 | -170.8 | 0 | 111.7 | L218 A219 E224 A225 Q226 L271 | L218-K222 WeakPolarHBondContact O-CG 3.5Å; L218-K222 PolarHBondContact O-N 2.96Å; A219-K222 PolarHBondContact O-N 2.68Å; K222-E224 VanDerWaalsContact C-N 3.33Å; K222-E224 PolarHBondContact O-N 3.39Å; K222-A225 WeakPolarHBondContact O-CB 3.18Å; K222-A225 PolarHBondContact O-N 3.26Å; K222-Q226 WeakPolarHBondContact O-CG 2.76Å; K222-Q226 PolarHBondContact O-N 3.5Å; K222-Q226 VanDerWaalsContact O-N 3.16Å; K222-L271 HydrophobicContact CB-CD1 4.46Å; K222-L271 HydrophobicContact CG-CD1 3.74Å; K222-L271 HydrophobicContact CG-CD2 4.31Å |
| 223 | L | 92.3 | Very high | 89.5 | Confident | 6 Ų | 6 | 65.8 Ų | 65.8 | 3% | 0.031 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 176 | -67.4 | 173.5 | 0 | 0 | 0 | 111.4 | A219 A225 Q226 L227 L238 Q241 L242 V245 | A219-L223 WeakPolarHBondContact O-CG 3.42Å; A219-L223 PolarHBondContact O-N 2.99Å; A219-L223 VanDerWaalsContact O-N 3.09Å; L223-A225 VanDerWaalsContact C-N 3.34Å; L223-A225 PolarHBondContact O-N 3.01Å; L223-Q226 PolarHBondContact O-N 3.05Å; L223-L227 WeakPolarHBondContact O-CG 3.11Å; L223-L227 PolarHBondContact O-N 3.44Å; L223-L238 HydrophobicContact CB-CD2 3.77Å; L223-Q241 HydrophobicContact CD1-CB 3.87Å; L223-Q241 HydrophobicContact CD2-CB 4.15Å; L223-Q241 HydrophobicContact CG-CB 4.48Å; L223-L242 HydrophobicContact CD1-CB 4.24Å; L223-L242 HydrophobicContact CD1-CD1 4.07Å; L223-V245 HydrophobicContact CD2-CB 4.41Å; L223-V245 HydrophobicContact CD2-CG2 4.08Å |
| 224 | E | 92.3 | Very high | 89.4 | Confident | 29 Ų | 29 | 65.1 Ų | 65.1 | 14% | 0.136 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.1 | -31.2 | 176 | -174.5 | 169.4 | 172.6 | 0 | 0 | 113.5 | L220 A221 K222 Q226 L227 L238 R259 Y264 V268 | L220-E224 PolarHBondContact O-N 3.08Å; L220-E224 VanDerWaalsContact O-N 3.1Å; A221-E224 PolarHBondContact O-N 3.01Å; K222-E224 VanDerWaalsContact C-N 3.33Å; K222-E224 PolarHBondContact O-N 3.39Å; E224-Q226 VanDerWaalsContact C-N 3.32Å; E224-L227 PolarHBondContact O-N 2.95Å; E224-L238 HydrophobicContact CB-CD1 4.17Å; E224-L238 HydrophobicContact CB-CD2 4Å; E224-L238 HydrophobicContact CG-CD1 4.45Å; E224-R259 VanDerWaalsContact CD-NE 3.3Å; E224-R259 IonicContact OE1-CZ 3.55Å; E224-R259 IonicContact OE1-NE 3.21Å; E224-R259 PolarHBondContact OE1-NE 2.74Å; E224-R259 IonicContact OE1-NH2 3.62Å; E224-R259 PolarHBondContact OE1-NH2 2.82Å; E224-R259 WeakPolarHBondContact OE2-CD 3.45Å; E224-R259 IonicContact OE2-CZ 2.86Å; E224-R259 IonicContact OE2-NE 2.75Å; E224-R259 PolarHBondContact OE2-NE 2.81Å; E224-R259 IonicContact OE2-NH2 2.86Å; E224-Y264 WeakPolarHBondContact OE2-CE1 3.2Å; E224-Y264 PolarHBondContact OE2-OH 3.46Å; E224-V268 HydrophobicContact CB-CG1 4.42Å; E224-V268 HydrophobicContact CB-CG2 4.2Å; E224-V268 HydrophobicContact CG-CG1 4.06Å; E224-V268 HydrophobicContact CG-CG2 4.36Å |
| 225 | A | 91.5 | Very high | 89.3 | Confident | 18 Ų | 18 | 58.2 Ų | 58.2 | 15% | 0.149 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.4 | -38.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A221 K222 L223 L227 L271 K272 | A221-A225 WeakPolarHBondContact O-CB 3.37Å; A221-A225 PolarHBondContact O-N 2.95Å; K222-A225 WeakPolarHBondContact O-CB 3.18Å; K222-A225 PolarHBondContact O-N 3.26Å; L223-A225 VanDerWaalsContact C-N 3.34Å; L223-A225 PolarHBondContact O-N 3.01Å; A225-L227 VanDerWaalsContact C-N 3.33Å; A225-L271 HydrophobicContact CB-CB 3.79Å; A225-K272 HydrophobicContact CB-CG 3.81Å |
| 226 | Q | 88.4 | Confident | 89.2 | Confident | 133 Ų | 133 | 57.5 Ų | 57.5 | 62% | 0.621 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -77.5 | -14 | 180 | -67.8 | 172.1 | -1.4 | 0 | 0 | 113.8 | K222 L223 E224 P228 | K222-Q226 WeakPolarHBondContact O-CG 2.76Å; K222-Q226 PolarHBondContact O-N 3.5Å; K222-Q226 VanDerWaalsContact O-N 3.16Å; L223-Q226 PolarHBondContact O-N 3.05Å; E224-Q226 VanDerWaalsContact C-N 3.32Å; Q226-P228 WeakPolarHBondContact O-CD 3.46Å |
| 227 | L | 87.6 | Confident | 89 | Confident | 19 Ų | 19 | 59 Ų | 59 | 10% | 0.099 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -76.3 | 130.2 | -179.6 | -75.3 | 173.8 | 0 | 0 | 0 | 112 | L223 E224 A225 I231 V234 I237 L238 | L223-L227 WeakPolarHBondContact O-CG 3.11Å; L223-L227 PolarHBondContact O-N 3.44Å; E224-L227 PolarHBondContact O-N 2.95Å; A225-L227 VanDerWaalsContact C-N 3.33Å; L227-I231 HydrophobicContact CB-CD1 4.18Å; L227-I231 HydrophobicContact CD2-CD1 3.76Å; L227-V234 HydrophobicContact CD1-CG1 3.97Å; L227-I237 HydrophobicContact CD1-CG2 4.2Å; L227-I237 HydrophobicContact CD2-CG2 3.81Å; L227-L238 HydrophobicContact CD1-CD2 3.68Å; L227-L238 HydrophobicContact CD1-CG 3.96Å |
| 228 | P | 81.7 | Confident | 88.9 | Confident | 86 Ų | 86 | 57.8 Ų | 57.8 | 56% | 0.558 | 32% | 0.322 | S | S | * | . | trans | -51.5 | 139.9 | 169.6 | -25.5 | 26.5 | 0 | 0 | 0 | 113 | Q226 N230 I231 | Q226-P228 WeakPolarHBondContact O-CD 3.46Å; P228-N230 PolarHBondContact O-N 3.05Å; P228-N230 VanDerWaalsContact O-N 3.1Å; P228-I231 HydrophobicContact CB-CD1 3.9Å; P228-I231 HydrophobicContact CB-CG1 4.1Å; P228-I231 VanDerWaalsContact CD-CD1 3.43Å; P228-I231 HydrophobicContact CG-CD1 3.82Å; P228-I231 HydrophobicContact CG-CG1 4.49Å; P228-I231 WeakPolarHBondContact O-CG1 3.4Å; P228-I231 PolarHBondContact O-N 3.49Å | ||
| 229 | A | 78.2 | Confident | 88.8 | Confident | 107 Ų | 107 | 56.4 Ų | 56.4 | 88% | 0.884 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -20.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | I231 | A229-I231 PolarHBondContact O-N 3.09Š|
| 230 | N | 80.2 | Confident | 88.7 | Confident | 160 Ų | 160 | 62.4 Ų | 62.4 | 86% | 0.856 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | 27.9 | -174.8 | -162.9 | 9 | 0 | 0 | 0 | 113.8 | P228 | P228-N230 PolarHBondContact O-N 3.05Å; P228-N230 VanDerWaalsContact O-N 3.1Å |
| 231 | I | 81 | Confident | 88.6 | Confident | 51 Ų | 51 | 64.7 Ų | 64.7 | 26% | 0.262 | 35% | 0.353 | S | S | . | . | trans | -92.2 | 125.7 | -176 | -71.2 | 177.2 | 0 | 0 | 0 | 111.1 | L227 P228 A229 V234 I237 | L227-I231 HydrophobicContact CB-CD1 4.18Å; L227-I231 HydrophobicContact CD2-CD1 3.76Å; P228-I231 HydrophobicContact CB-CD1 3.9Å; P228-I231 HydrophobicContact CB-CG1 4.1Å; P228-I231 VanDerWaalsContact CD-CD1 3.43Å; P228-I231 HydrophobicContact CG-CD1 3.82Å; P228-I231 HydrophobicContact CG-CG1 4.49Å; P228-I231 WeakPolarHBondContact O-CG1 3.4Å; P228-I231 PolarHBondContact O-N 3.49Å; A229-I231 PolarHBondContact O-N 3.09Å; I231-V234 HydrophobicContact CB-CG2 4.5Å; I231-V234 HydrophobicContact CG2-CG2 4.27Å; I231-V234 VanDerWaalsContact O-CG2 3.3Å; I231-V234 WeakPolarHBondContact O-CG2 3.49Å; I231-I237 HydrophobicContact CG2-CD1 3.18Å | ||
| 232 | T | 82.3 | Confident | 88.6 | Confident | 122 Ų | 122 | 64.7 Ų | 64.7 | 75% | 0.748 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -77.3 | 150 | 167 | 57.8 | 0 | 0 | 0 | 0 | 110 | V234 I237 | T232-V234 PolarHBondContact O-N 3.35Å; T232-I237 WeakPolarHBondContact O-CD1 3.42Å |
| 233 | N | 87 | Confident | 88.5 | Confident | 81 Ų | 81 | 63.6 Ų | 63.6 | 43% | 0.433 | 35% | 0.352 | S | S | . | . | trans | 59.9 | 41.8 | 175.1 | -150.8 | -16.3 | 0 | 0 | 0 | 115.9 | N235 Q236 I237 | N233-N235 PolarHBondContact O-N 3.24Å; N233-Q236 VanDerWaalsContact CG-CD 3.42Å; N233-Q236 PolarHBondContact ND2-NE2 2.89Å; N233-Q236 VanDerWaalsContact ND2-NE2 3.17Å; N233-Q236 PolarHBondContact ND2-OE1 3.03Å; N233-Q236 PolarHBondContact O-N 3.01Å; N233-Q236 VanDerWaalsContact O-N 3.16Å; N233-Q236 WeakPolarHBondContact OD1-CB 3.42Å; N233-Q236 WeakPolarHBondContact OD1-CG 3.42Å; N233-Q236 PolarHBondContact OD1-NE2 3.48Å; N233-I237 PolarHBondContact O-N 3.45Å | ||
| 234 | V | 89.5 | Confident | 88.4 | Confident | 33 Ų | 33 | 69.4 Ų | 69.4 | 20% | 0.2 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -50.7 | -36.5 | -179.8 | -174.9 | 0 | 0 | 0 | 0 | 113.3 | L227 I231 T232 I237 L238 | L227-V234 HydrophobicContact CD1-CG1 3.97Å; I231-V234 HydrophobicContact CB-CG2 4.5Å; I231-V234 HydrophobicContact CG2-CG2 4.27Å; I231-V234 VanDerWaalsContact O-CG2 3.3Å; I231-V234 WeakPolarHBondContact O-CG2 3.49Å; T232-V234 PolarHBondContact O-N 3.35Å; V234-I237 PolarHBondContact O-N 2.93Å; V234-L238 HydrophobicContact CG1-CD1 3.83Å; V234-L238 HydrophobicContact CG1-CG 4.17Å; V234-L238 WeakPolarHBondContact O-CB 3.41Å; V234-L238 VanDerWaalsContact O-CG 3.28Å; V234-L238 WeakPolarHBondContact O-CG 3.38Å; V234-L238 PolarHBondContact O-N 3.08Å |
| 235 | N | 90.3 | Very high | 88.3 | Confident | 31 Ų | 31 | 72.3 Ų | 72.3 | 17% | 0.166 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -69.2 | -37.3 | -176.8 | -62.8 | -39.9 | 0 | 0 | 0 | 113.5 | N233 S239 V252 R259 | N233-N235 PolarHBondContact O-N 3.24Å; N235-S239 WeakPolarHBondContact O-CB 3.39Å; N235-S239 PolarHBondContact O-N 3.27Å; N235-V252 HydrophobicContact CB-CG1 3.56Å; N235-R259 VanDerWaalsContact OD1-CD 3.31Å; N235-R259 WeakPolarHBondContact OD1-CD 3.45Å; N235-R259 PolarHBondContact OD1-NH1 2.89Å |
| 236 | Q | 91.3 | Very high | 88.2 | Confident | 110 Ų | 110 | 74.5 Ų | 74.5 | 51% | 0.514 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -71.4 | -38.7 | 177.2 | -71.9 | 177.9 | 15.1 | 0 | 0 | 110.7 | N233 S239 K240 V252 | N233-Q236 VanDerWaalsContact CG-CD 3.42Å; N233-Q236 PolarHBondContact ND2-NE2 2.89Å; N233-Q236 VanDerWaalsContact ND2-NE2 3.17Å; N233-Q236 PolarHBondContact ND2-OE1 3.03Å; N233-Q236 PolarHBondContact O-N 3.01Å; N233-Q236 VanDerWaalsContact O-N 3.16Å; N233-Q236 WeakPolarHBondContact OD1-CB 3.42Å; N233-Q236 WeakPolarHBondContact OD1-CG 3.42Å; N233-Q236 PolarHBondContact OD1-NE2 3.48Å; Q236-S239 WeakPolarHBondContact O-CB 3.34Å; Q236-S239 PolarHBondContact O-N 3.44Å; Q236-K240 PolarHBondContact O-N 3.05Å; Q236-V252 HydrophobicContact CG-CG1 4.4Å; Q236-V252 HydrophobicContact CG-CG2 4.16Å |
| 237 | I | 91.4 | Very high | 88.3 | Confident | 51 Ų | 51 | 71 Ų | 71 | 26% | 0.262 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63 | -47.3 | 176.5 | -65.1 | 165.8 | 0 | 0 | 0 | 110.5 | L227 I231 T232 N233 V234 S239 K240 Q241 | L227-I237 HydrophobicContact CD1-CG2 4.2Å; L227-I237 HydrophobicContact CD2-CG2 3.81Å; I231-I237 HydrophobicContact CG2-CD1 3.18Å; T232-I237 WeakPolarHBondContact O-CD1 3.42Å; N233-I237 PolarHBondContact O-N 3.45Å; V234-I237 PolarHBondContact O-N 2.93Å; I237-S239 VanDerWaalsContact C-N 3.29Å; I237-S239 PolarHBondContact O-N 2.92Å; I237-K240 PolarHBondContact O-N 3.19Å; I237-K240 VanDerWaalsContact O-N 3.15Å; I237-Q241 HydrophobicContact CG2-CG 4.34Å; I237-Q241 WeakPolarHBondContact O-CG 3.49Å; I237-Q241 PolarHBondContact O-N 3.04Å |
| 238 | L | 92.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.4 | -38.1 | 175.2 | -72.6 | 173.8 | 0 | 0 | 0 | 112.1 | L220 L223 E224 L227 V234 K240 L242 I255 | L220-L238 HydrophobicContact CD1-CB 3.96Å; L220-L238 HydrophobicContact CD1-CD1 4.3Å; L220-L238 HydrophobicContact CD1-CD2 4.4Å; L220-L238 HydrophobicContact CD1-CG 4.46Å; L223-L238 HydrophobicContact CB-CD2 3.77Å; E224-L238 HydrophobicContact CB-CD1 4.17Å; E224-L238 HydrophobicContact CB-CD2 4Å; E224-L238 HydrophobicContact CG-CD1 4.45Å; L227-L238 HydrophobicContact CD1-CD2 3.68Å; L227-L238 HydrophobicContact CD1-CG 3.96Å; V234-L238 HydrophobicContact CG1-CD1 3.83Å; V234-L238 HydrophobicContact CG1-CG 4.17Å; V234-L238 WeakPolarHBondContact O-CB 3.41Å; V234-L238 VanDerWaalsContact O-CG 3.28Å; V234-L238 WeakPolarHBondContact O-CG 3.38Å; V234-L238 PolarHBondContact O-N 3.08Å; L238-K240 VanDerWaalsContact C-N 3.31Å; L238-K240 PolarHBondContact O-N 3.03Å; L238-L242 WeakPolarHBondContact O-CB 3.36Å; L238-L242 PolarHBondContact O-N 3.26Å; L238-I255 HydrophobicContact CB-CG2 4.2Å; L238-I255 HydrophobicContact CD1-CG2 4.22Å |
| 239 | S | 91.9 | Very high | 88.8 | Confident | 31 Ų | 31 | 72.8 Ų | 72.8 | 22% | 0.217 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 175.4 | -169.9 | 0 | 0 | 0 | 0 | 112.2 | N235 Q236 I237 L243 R250 I255 | N235-S239 WeakPolarHBondContact O-CB 3.39Å; N235-S239 PolarHBondContact O-N 3.27Å; Q236-S239 WeakPolarHBondContact O-CB 3.34Å; Q236-S239 PolarHBondContact O-N 3.44Å; I237-S239 VanDerWaalsContact C-N 3.29Å; I237-S239 PolarHBondContact O-N 2.92Å; S239-L243 PolarHBondContact O-N 3.07Å; S239-R250 PolarHBondContact OG-O 3.18Å; S239-I255 VanDerWaalsContact CA-CD1 3.45Å |
| 240 | K | 92.5 | Very high | 89.3 | Confident | 129 Ų | 129 | 71 Ų | 71 | 56% | 0.561 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -71.6 | -48.1 | 178.5 | -177.2 | 176 | 171.3 | 178.7 | 0 | 111.4 | Q236 I237 L238 L242 L243 E244 | Q236-K240 PolarHBondContact O-N 3.05Å; I237-K240 PolarHBondContact O-N 3.19Å; I237-K240 VanDerWaalsContact O-N 3.15Å; L238-K240 VanDerWaalsContact C-N 3.31Å; L238-K240 PolarHBondContact O-N 3.03Å; K240-L242 VanDerWaalsContact C-N 3.34Å; K240-L242 PolarHBondContact O-N 2.92Å; K240-L243 WeakPolarHBondContact O-CB 3.47Å; K240-L243 PolarHBondContact O-N 3.12Å; K240-L243 VanDerWaalsContact O-N 3.16Å; K240-E244 WeakPolarHBondContact CE-OE1 3.46Å; K240-E244 HydrophobicContact CG-CG 4.43Å; K240-E244 IonicContact NZ-OE1 3.75Å; K240-E244 WeakPolarHBondContact O-CG 3.43Å; K240-E244 PolarHBondContact O-N 3.44Å |
| 241 | Q | 91.7 | Very high | 89.9 | Confident | 49 Ų | 49 | 67.8 Ų | 67.8 | 23% | 0.229 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.5 | -35.6 | 179 | -72.4 | -173.4 | -4.6 | 0 | 0 | 112.9 | L223 I237 L243 E244 V245 | L223-Q241 HydrophobicContact CD1-CB 3.87Å; L223-Q241 HydrophobicContact CD2-CB 4.15Å; L223-Q241 HydrophobicContact CG-CB 4.48Å; I237-Q241 HydrophobicContact CG2-CG 4.34Å; I237-Q241 WeakPolarHBondContact O-CG 3.49Å; I237-Q241 PolarHBondContact O-N 3.04Å; Q241-L243 PolarHBondContact O-N 2.93Å; Q241-E244 PolarHBondContact O-N 3.35Å; Q241-V245 WeakPolarHBondContact O-CB 3.49Å; Q241-V245 WeakPolarHBondContact O-CG2 3.45Å; Q241-V245 PolarHBondContact O-N 2.7Å |
| 242 | L | 92.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.3 | -32.6 | 176.6 | -165.5 | 74.7 | 0 | 0 | 0 | 111.3 | A219 L220 L223 L238 K240 H246 G247 L248 R250 | A219-L242 HydrophobicContact CB-CD1 4.14Å; L220-L242 HydrophobicContact CB-CD1 4.35Å; L220-L242 HydrophobicContact CD1-CD1 4.38Å; L220-L242 HydrophobicContact CD1-CD2 4.39Å; L223-L242 HydrophobicContact CD1-CB 4.24Å; L223-L242 HydrophobicContact CD1-CD1 4.07Å; L238-L242 WeakPolarHBondContact O-CB 3.36Å; L238-L242 PolarHBondContact O-N 3.26Å; K240-L242 VanDerWaalsContact C-N 3.34Å; K240-L242 PolarHBondContact O-N 2.92Å; L242-H246 WeakPolarHBondContact O-CB 3.27Å; L242-H246 PolarHBondContact O-N 2.97Å; L242-G247 PolarHBondContact O-N 3.5Å; L242-L248 CarbonylContact C-O 3.48Å; L242-L248 HydrophobicContact CD1-CD1 4.23Å; L242-L248 HydrophobicContact CD2-CB 4.15Å; L242-L248 HydrophobicContact CG-CB 3.89Å; L242-L248 HydrophobicContact CG-CD1 4.41Å; L242-L248 PolarHBondContact O-N 3.39Å; L242-L248 VanDerWaalsContact O-N 3.13Å; L242-R250 HydrophobicContact CD2-CB 4.01Å; L242-R250 HydrophobicContact CD2-CG 3.73Å |
| 243 | L | 92 | Very high | 90.8 | Very high | 90 Ų | 90 | 69.3 Ų | 69.3 | 47% | 0.471 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -73.6 | -47.8 | 172.1 | 179.8 | 60 | 0 | 0 | 0 | 111.8 | S239 K240 Q241 G247 T249 | S239-L243 PolarHBondContact O-N 3.07Å; K240-L243 WeakPolarHBondContact O-CB 3.47Å; K240-L243 PolarHBondContact O-N 3.12Å; K240-L243 VanDerWaalsContact O-N 3.16Å; Q241-L243 PolarHBondContact O-N 2.93Å; L243-G247 WeakPolarHBondContact O-CA 3.34Å; L243-G247 PolarHBondContact O-N 2.74Å; L243-T249 HydrophobicContact CD1-CG2 3.76Å |
| 244 | E | 91.3 | Very high | 91.1 | Very high | 127 Ų | 127 | 67 Ų | 67 | 59% | 0.593 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -68.1 | -43.2 | -175.5 | -72.8 | 173.7 | 169.2 | 0 | 0 | 113.2 | K240 Q241 | K240-E244 WeakPolarHBondContact CE-OE1 3.46Å; K240-E244 HydrophobicContact CG-CG 4.43Å; K240-E244 IonicContact NZ-OE1 3.75Å; K240-E244 WeakPolarHBondContact O-CG 3.43Å; K240-E244 PolarHBondContact O-N 3.44Å; Q241-E244 PolarHBondContact O-N 3.35Å |
| 245 | V | 90.8 | Very high | 91.3 | Very high | 91 Ų | 91 | 65.4 Ų | 65.4 | 55% | 0.552 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -87.4 | -38.2 | -174.6 | -179.3 | 0 | 0 | 0 | 0 | 111.9 | L223 Q241 | L223-V245 HydrophobicContact CD2-CB 4.41Å; L223-V245 HydrophobicContact CD2-CG2 4.08Å; Q241-V245 WeakPolarHBondContact O-CB 3.49Å; Q241-V245 WeakPolarHBondContact O-CG2 3.45Å; Q241-V245 PolarHBondContact O-N 2.7Å |
| 246 | H | 88.7 | Confident | 91.4 | Very high | 64 Ų | 64 | 68.7 Ų | 68.7 | 30% | 0.296 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -117.5 | -4 | -171.3 | -62.9 | -66.3 | 0 | 0 | 0 | 114.6 | F215 A219 L242 L248 | F215-H246 AromaticContact CZ-ND1 3.98Å; A219-H246 WeakPolarHBondContact CB-NE2 3.34Å; L242-H246 WeakPolarHBondContact O-CB 3.27Å; L242-H246 PolarHBondContact O-N 2.97Å; H246-L248 HydrophobicContact CB-CB 4.46Å; H246-L248 HydrophobicContact CB-CD1 3.76Å; H246-L248 HydrophobicContact CB-CG 4Å; H246-L248 PolarHBondContact O-N 3.37Å |
| 247 | G | 89.3 | Confident | 91.5 | Very high | 58 Ų | 58 | 65.2 Ų | 65.2 | 60% | 0.598 | 35% | 0.351 | S | S | * | . | trans | 66.6 | 20.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L242 L243 | L242-G247 PolarHBondContact O-N 3.5Å; L243-G247 WeakPolarHBondContact O-CA 3.34Å; L243-G247 PolarHBondContact O-N 2.74Å | ||
| 248 | L | 90 | Very high | 91.5 | Very high | 36 Ų | 36 | 63.3 Ų | 63.3 | 19% | 0.188 | 34% | 0.341 | C | S | . | . | trans | -103.7 | 122 | -171.9 | -70.3 | 169.6 | 0 | 0 | 0 | 111.4 | F215 E216 L242 H246 | F215-L248 HydrophobicContact CD1-CD1 4.42Å; F215-L248 HydrophobicContact CE1-CD1 4.08Å; E216-L248 HydrophobicContact CB-CD1 4.47Å; E216-L248 HydrophobicContact CG-CD1 3.71Å; E216-L248 HydrophobicContact CG-CD2 4.15Å; L242-L248 CarbonylContact C-O 3.48Å; L242-L248 HydrophobicContact CD1-CD1 4.23Å; L242-L248 HydrophobicContact CD2-CB 4.15Å; L242-L248 HydrophobicContact CG-CB 3.89Å; L242-L248 HydrophobicContact CG-CD1 4.41Å; L242-L248 PolarHBondContact O-N 3.39Å; L242-L248 VanDerWaalsContact O-N 3.13Å; H246-L248 HydrophobicContact CB-CB 4.46Å; H246-L248 HydrophobicContact CB-CD1 3.76Å; H246-L248 HydrophobicContact CB-CG 4Å; H246-L248 PolarHBondContact O-N 3.37Å | ||
| 249 | T | 90.1 | Very high | 91.5 | Very high | 107 Ų | 107 | 65.9 Ų | 65.9 | 66% | 0.656 | 35% | 0.351 | S | S | * | . | trans | -94.8 | 115.3 | 178.2 | 54.9 | 0 | 0 | 0 | 0 | 111.6 | L243 | L243-T249 HydrophobicContact CD1-CG2 3.76Š| ||
| 250 | R | 89.9 | Confident | 91.5 | Very high | 69 Ų | 69 | 72.6 Ų | 72.6 | 26% | 0.26 | 37% | 0.372 | S | S | . | . | trans | -137.3 | 138.4 | 176 | -61.9 | -67.6 | 177.1 | -140.2 | 10.2 | 109.1 | W212 E216 S239 L242 I255 | W212-R250 HydrophobicContact CH2-CB 4.2Å; W212-R250 HydrophobicContact CH2-CG 3.97Å; W212-R250 HydrophobicContact CZ2-CG 4.41Å; W212-R250 HydrophobicContact CZ3-CG 4.36Å; E216-R250 IonicContact OE1-CZ 2.71Å; E216-R250 IonicContact OE1-NH2 3.3Å; E216-R250 PolarHBondContact OE1-NH2 3Å; E216-R250 IonicContact OE2-CZ 3.22Å; E216-R250 IonicContact OE2-NE 2.78Å; E216-R250 PolarHBondContact OE2-NE 2.92Å; E216-R250 IonicContact OE2-NH2 2.7Å; E216-R250 PolarHBondContact OE2-NH2 2.93Å; S239-R250 PolarHBondContact OG-O 3.18Å; L242-R250 HydrophobicContact CD2-CB 4.01Å; L242-R250 HydrophobicContact CD2-CG 3.73Å; R250-I255 HydrophobicContact CB-CD1 4.35Å; R250-I255 HydrophobicContact CB-CG1 4.2Å | ||
| 251 | N | 91.2 | Very high | 91.6 | Very high | 94 Ų | 94 | 71.3 Ų | 71.3 | 50% | 0.503 | 37% | 0.366 | S | S | . | . | trans | -72.6 | 148.6 | 178.8 | -176.7 | -66.9 | 0 | 0 | 0 | 110.8 | E253 M254 I255 | N251-E253 PolarHBondContact O-N 3.4Å; N251-E253 PolarHBondContact OD1-N 3.33Å; N251-M254 HydrophobicContact CB-CG 4.15Å; N251-M254 HydrophobicContact CB-SD 3.96Å; N251-M254 WeakPolarHBondContact O-CA 3.33Å; N251-M254 VanDerWaalsContact O-CB 3.31Å; N251-M254 WeakPolarHBondContact O-CB 3.49Å; N251-M254 PolarHBondContact O-N 3.41Å; N251-I255 PolarHBondContact O-N 3.35Å | ||
| 252 | V | 91.7 | Very high | 91.6 | Very high | 49 Ų | 49 | 72.6 Ų | 72.6 | 30% | 0.297 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -50 | -39.3 | 176.5 | -176.9 | 0 | 0 | 0 | 0 | 112.5 | N235 Q236 I255 K256 | N235-V252 HydrophobicContact CB-CG1 3.56Å; Q236-V252 HydrophobicContact CG-CG1 4.4Å; Q236-V252 HydrophobicContact CG-CG2 4.16Å; V252-I255 PolarHBondContact O-N 2.93Å; V252-K256 WeakPolarHBondContact O-CB 3.46Å; V252-K256 PolarHBondContact O-N 3.41Å |
| 253 | E | 92 | Very high | 91.6 | Very high | 155 Ų | 155 | 79.7 Ų | 79.7 | 72% | 0.724 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -67.7 | -36.1 | 176.8 | -66 | -170.2 | 163.1 | 0 | 0 | 112.8 | N251 K256 G257 | N251-E253 PolarHBondContact O-N 3.4Å; N251-E253 PolarHBondContact OD1-N 3.33Å; E253-K256 PolarHBondContact O-N 3.21Å; E253-G257 PolarHBondContact O-N 3.3Å |
| 254 | M | 92.9 | Very high | 91.8 | Very high | 33 Ų | 33 | 75.5 Ų | 75.5 | 16% | 0.163 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.9 | -43.6 | 176.2 | -62.3 | 168 | 66.9 | 0 | 0 | 110.7 | R211 W212 N251 G257 Q258 | R211-M254 HydrophobicContact CG-CE 4.25Å; R211-M254 VanDerWaalsContact NH2-CE 3.32Å; R211-M254 VanDerWaalsContact NH2-CG 3.34Å; R211-M254 PolarHBondContact NH2-SD 2.94Å; W212-M254 HydrophobicContact CZ2-CB 4.07Å; N251-M254 HydrophobicContact CB-CG 4.15Å; N251-M254 HydrophobicContact CB-SD 3.96Å; N251-M254 WeakPolarHBondContact O-CA 3.33Å; N251-M254 VanDerWaalsContact O-CB 3.31Å; N251-M254 WeakPolarHBondContact O-CB 3.49Å; N251-M254 PolarHBondContact O-N 3.41Å; M254-G257 PolarHBondContact O-N 2.97Å; M254-Q258 PolarHBondContact O-N 3.34Å |
| 255 | I | 92.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.6 | -48.1 | 175.8 | -69.1 | 168 | 0 | 0 | 0 | 109.3 | W212 L220 L238 S239 R250 N251 V252 G257 Q258 R259 | W212-I255 HydrophobicContact CH2-CG1 4.04Å; W212-I255 HydrophobicContact CZ2-CG1 4.45Å; L220-I255 HydrophobicContact CD1-CD1 4.43Å; L220-I255 HydrophobicContact CD1-CG1 4.2Å; L220-I255 HydrophobicContact CD1-CG2 4.02Å; L220-I255 HydrophobicContact CD2-CG2 4.2Å; L238-I255 HydrophobicContact CB-CG2 4.2Å; L238-I255 HydrophobicContact CD1-CG2 4.22Å; S239-I255 VanDerWaalsContact CA-CD1 3.45Å; R250-I255 HydrophobicContact CB-CD1 4.35Å; R250-I255 HydrophobicContact CB-CG1 4.2Å; N251-I255 PolarHBondContact O-N 3.35Å; V252-I255 PolarHBondContact O-N 2.93Å; I255-G257 VanDerWaalsContact C-N 3.27Å; I255-G257 PolarHBondContact O-N 3.35Å; I255-Q258 PolarHBondContact O-N 2.98Å; I255-R259 HydrophobicContact CG2-CG 4.25Å; I255-R259 WeakPolarHBondContact O-CG 3.29Å; I255-R259 PolarHBondContact O-N 2.94Å |
| 256 | K | 92.9 | Very high | 92.1 | Very high | 100 Ų | 100 | 77.1 Ų | 77.1 | 44% | 0.435 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -56 | -42.7 | 175 | -172.3 | -177.7 | -172.9 | -178.8 | 0 | 111.6 | V252 E253 R260 | V252-K256 WeakPolarHBondContact O-CB 3.46Å; V252-K256 PolarHBondContact O-N 3.41Å; E253-K256 PolarHBondContact O-N 3.21Å; K256-R260 WeakPolarHBondContact O-CG 3.25Å; K256-R260 PolarHBondContact O-N 3.03Å |
| 257 | G | 93 | Very high | 92.3 | Very high | 36 Ų | 36 | 76.4 Ų | 76.4 | 37% | 0.371 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.5 | -40.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E253 M254 I255 | E253-G257 PolarHBondContact O-N 3.3Å; M254-G257 PolarHBondContact O-N 2.97Å; I255-G257 VanDerWaalsContact C-N 3.27Å; I255-G257 PolarHBondContact O-N 3.35Å |
| 258 | Q | 92.4 | Very high | 92.5 | Very high | 12 Ų | 12 | 74 Ų | 74 | 6% | 0.056 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69.2 | -43 | 177.9 | -169.2 | 60.5 | 16.5 | 0 | 0 | 111.9 | W212 V217 L220 M254 I255 R260 K261 Y264 | W212-Q258 HydrophobicContact CD2-CB 4.43Å; W212-Q258 HydrophobicContact CD2-CG 4.13Å; W212-Q258 HydrophobicContact CE3-CG 4.29Å; W212-Q258 HydrophobicContact CH2-CB 4.34Å; W212-Q258 HydrophobicContact CZ2-CB 3.88Å; W212-Q258 HydrophobicContact CZ2-CG 4.35Å; W212-Q258 HydrophobicContact CZ3-CG 4.49Å; V217-Q258 VanDerWaalsContact CG2-NE2 3.32Å; L220-Q258 HydrophobicContact CD2-CB 4.21Å; L220-Q258 HydrophobicContact CD2-CG 4.1Å; M254-Q258 PolarHBondContact O-N 3.34Å; I255-Q258 PolarHBondContact O-N 2.98Å; Q258-R260 PolarHBondContact O-N 3.5Å; Q258-K261 WeakPolarHBondContact O-CB 3.21Å; Q258-K261 PolarHBondContact O-N 3.11Å; Q258-Y264 HydrophobicContact CG-CD2 4.08Å; Q258-Y264 HydrophobicContact CG-CG 4.47Å; Q258-Y264 WeakPolarHBondContact O-CB 3.34Å |
| 259 | R | 92.6 | Very high | 92.6 | Very high | 54 Ų | 54 | 75.1 Ų | 75.1 | 20% | 0.204 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.4 | -20.7 | 178.4 | -65.4 | 178.8 | 71.9 | -148.3 | -1.8 | 114.5 | E224 N235 I255 Y264 K265 | E224-R259 VanDerWaalsContact CD-NE 3.3Å; E224-R259 IonicContact OE1-CZ 3.55Å; E224-R259 IonicContact OE1-NE 3.21Å; E224-R259 PolarHBondContact OE1-NE 2.74Å; E224-R259 IonicContact OE1-NH2 3.62Å; E224-R259 PolarHBondContact OE1-NH2 2.82Å; E224-R259 WeakPolarHBondContact OE2-CD 3.45Å; E224-R259 IonicContact OE2-CZ 2.86Å; E224-R259 IonicContact OE2-NE 2.75Å; E224-R259 PolarHBondContact OE2-NE 2.81Å; E224-R259 IonicContact OE2-NH2 2.86Å; N235-R259 VanDerWaalsContact OD1-CD 3.31Å; N235-R259 WeakPolarHBondContact OD1-CD 3.45Å; N235-R259 PolarHBondContact OD1-NH1 2.89Å; I255-R259 HydrophobicContact CG2-CG 4.25Å; I255-R259 WeakPolarHBondContact O-CG 3.29Å; I255-R259 PolarHBondContact O-N 2.94Å; R259-Y264 HydrophobicContact CB-CD1 4.27Å; R259-Y264 HydrophobicContact CB-CE1 4.06Å; R259-Y264 HydrophobicContact CG-CD1 4.24Å; R259-Y264 HydrophobicContact CG-CE1 3.59Å; R259-K265 WeakPolarHBondContact O-CE 3.47Å |
| 260 | R | 91.9 | Very high | 92.8 | Very high | 171 Ų | 171 | 73.4 Ų | 73.4 | 65% | 0.645 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -73.2 | -27.3 | 176 | -76.2 | 174.5 | -172.1 | -112 | 13.4 | 113.2 | K256 Q258 | K256-R260 WeakPolarHBondContact O-CG 3.25Å; K256-R260 PolarHBondContact O-N 3.03Å; Q258-R260 PolarHBondContact O-N 3.5Å |
| 261 | K | 93.2 | Very high | 93 | Very high | 102 Ų | 102 | 72.2 Ų | 72.2 | 44% | 0.443 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -67.2 | 137.2 | -175.4 | -64.3 | 177.4 | 179.9 | 170.8 | 0 | 111 | Q258 Q263 Y264 K265 | Q258-K261 WeakPolarHBondContact O-CB 3.21Å; Q258-K261 PolarHBondContact O-N 3.11Å; K261-Q263 PolarHBondContact O-N 3.1Å; K261-Y264 PolarHBondContact O-N 3.49Å; K261-K265 PolarHBondContact O-N 3.44Å |
| 262 | S | 93.1 | Very high | 93 | Very high | 77 Ų | 77 | 71.6 Ų | 71.6 | 54% | 0.538 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.7 | -47.7 | 178.3 | 50.9 | 0 | 0 | 0 | 0 | 112.1 | Y264 K265 E266 | S262-Y264 PolarHBondContact O-N 2.97Å; S262-Y264 VanDerWaalsContact O-N 3.14Å; S262-K265 WeakPolarHBondContact O-CB 3.38Å; S262-K265 PolarHBondContact O-N 3.42Å; S262-E266 PolarHBondContact O-N 2.8Å |
| 263 | Q | 92.8 | Very high | 92.8 | Very high | 148 Ų | 148 | 72 Ų | 72 | 69% | 0.692 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -53.8 | -36.5 | 177.6 | -66.9 | -179.5 | -20.4 | 0 | 0 | 113.1 | K261 L267 | K261-Q263 PolarHBondContact O-N 3.1Å; Q263-L267 WeakPolarHBondContact O-CB 3.44Å; Q263-L267 PolarHBondContact O-N 3.44Å; Q263-L267 VanDerWaalsContact O-N 3.12Å |
| 264 | Y | 94.3 | Very high | 92.7 | Very high | 3 Ų | 3 | 67.1 Ų | 67.1 | 1% | 0.012 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -73.9 | -38.9 | 178 | 177.3 | -88.7 | 0 | 0 | 0 | 111.7 | V217 L220 A221 E224 Q258 R259 K261 S262 L267 V268 | V217-Y264 HydrophobicContact CG1-CD2 3.91Å; L220-Y264 VanDerWaalsContact C-OH 3.31Å; L220-Y264 HydrophobicContact CB-CE2 4.12Å; L220-Y264 HydrophobicContact CD2-CE2 3.79Å; L220-Y264 HydrophobicContact CG-CE2 4.02Å; L220-Y264 WeakPolarHBondContact CG-OH 3.46Å; L220-Y264 PolarHBondContact O-OH 3.45Å; A221-Y264 WeakPolarHBondContact CA-OH 3.44Å; A221-Y264 HydrophobicContact CB-CD2 4.3Å; A221-Y264 HydrophobicContact CB-CE2 3.7Å; E224-Y264 WeakPolarHBondContact OE2-CE1 3.2Å; E224-Y264 PolarHBondContact OE2-OH 3.46Å; Q258-Y264 HydrophobicContact CG-CD2 4.08Å; Q258-Y264 HydrophobicContact CG-CG 4.47Å; Q258-Y264 WeakPolarHBondContact O-CB 3.34Å; R259-Y264 HydrophobicContact CB-CD1 4.27Å; R259-Y264 HydrophobicContact CB-CE1 4.06Å; R259-Y264 HydrophobicContact CG-CD1 4.24Å; R259-Y264 HydrophobicContact CG-CE1 3.59Å; K261-Y264 PolarHBondContact O-N 3.49Å; S262-Y264 PolarHBondContact O-N 2.97Å; S262-Y264 VanDerWaalsContact O-N 3.14Å; Y264-L267 WeakPolarHBondContact O-CB 3.27Å; Y264-L267 PolarHBondContact O-N 3.38Å; Y264-V268 HydrophobicContact CD1-CG2 4.07Å; Y264-V268 HydrophobicContact CE1-CG2 3.51Å; Y264-V268 HydrophobicContact CE2-CG2 4.32Å; Y264-V268 WeakPolarHBondContact O-CG2 3.2Å; Y264-V268 PolarHBondContact O-N 3.03Å |
| 265 | K | 94 | Very high | 92.1 | Very high | 127 Ų | 127 | 70.4 Ų | 70.4 | 55% | 0.552 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -65.1 | -42 | 176.8 | -64.9 | 178 | -178.7 | 179.6 | 0 | 111.9 | R259 K261 S262 L267 V268 A269 | R259-K265 WeakPolarHBondContact O-CE 3.47Å; K261-K265 PolarHBondContact O-N 3.44Å; S262-K265 WeakPolarHBondContact O-CB 3.38Å; S262-K265 PolarHBondContact O-N 3.42Å; K265-L267 VanDerWaalsContact C-N 3.31Å; K265-V268 PolarHBondContact O-N 3.45Å; K265-A269 WeakPolarHBondContact O-CB 3.48Å; K265-A269 PolarHBondContact O-N 3.02Å |
| 266 | E | 94.6 | Very high | 91.4 | Very high | 125 Ų | 125 | 80 Ų | 80 | 58% | 0.584 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -60.2 | -43.2 | 173.5 | -71.3 | 163.2 | -151.6 | 0 | 0 | 111 | S262 A269 S270 | S262-E266 PolarHBondContact O-N 2.8Å; E266-A269 PolarHBondContact O-N 3.41Å; E266-S270 WeakPolarHBondContact O-CB 3.41Å; E266-S270 PolarHBondContact O-N 2.9Å |
| 267 | L | 93.8 | Very high | 90.5 | Very high | 48 Ų | 48 | 80.9 Ų | 80.9 | 25% | 0.251 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 176.3 | -174.8 | 69 | 0 | 0 | 0 | 112.4 | V217 L218 A221 Q263 Y264 K265 S270 L271 | V217-L267 HydrophobicContact CG1-CD2 3.99Å; L218-L267 HydrophobicContact CD2-CD1 3.73Å; L218-L267 HydrophobicContact CD2-CD2 3.85Å; L218-L267 HydrophobicContact CD2-CG 4.27Å; L218-L267 HydrophobicContact CG-CD2 4.49Å; A221-L267 HydrophobicContact CB-CB 4.5Å; A221-L267 HydrophobicContact CB-CD2 3.57Å; A221-L267 HydrophobicContact CB-CG 3.82Å; Q263-L267 WeakPolarHBondContact O-CB 3.44Å; Q263-L267 PolarHBondContact O-N 3.44Å; Q263-L267 VanDerWaalsContact O-N 3.12Å; Y264-L267 WeakPolarHBondContact O-CB 3.27Å; Y264-L267 PolarHBondContact O-N 3.38Å; K265-L267 VanDerWaalsContact C-N 3.31Å; L267-S270 PolarHBondContact O-N 3.07Å; L267-L271 HydrophobicContact CG-CD1 4.42Å; L267-L271 WeakPolarHBondContact O-CG 3.46Å; L267-L271 PolarHBondContact O-N 3.21Å; L267-L271 VanDerWaalsContact O-N 3.07Å |
| 268 | V | 93.7 | Very high | 89.5 | Confident | 9 Ų | 9 | 82.5 Ų | 82.5 | 6% | 0.055 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 175.5 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | A221 E224 Y264 K265 L271 K272 | A221-V268 HydrophobicContact CB-CG2 3.81Å; E224-V268 HydrophobicContact CB-CG1 4.42Å; E224-V268 HydrophobicContact CB-CG2 4.2Å; E224-V268 HydrophobicContact CG-CG1 4.06Å; E224-V268 HydrophobicContact CG-CG2 4.36Å; Y264-V268 HydrophobicContact CD1-CG2 4.07Å; Y264-V268 HydrophobicContact CE1-CG2 3.51Å; Y264-V268 HydrophobicContact CE2-CG2 4.32Å; Y264-V268 WeakPolarHBondContact O-CG2 3.2Å; Y264-V268 PolarHBondContact O-N 3.03Å; K265-V268 PolarHBondContact O-N 3.45Å; V268-L271 PolarHBondContact O-N 2.92Å; V268-K272 HydrophobicContact CG1-CD 4.2Å; V268-K272 HydrophobicContact CG1-CG 4.46Å; V268-K272 WeakPolarHBondContact O-CG 3.33Å; V268-K272 PolarHBondContact O-N 2.78Å |
| 269 | A | 92.8 | Very high | 88.1 | Confident | 58 Ų | 58 | 88 Ų | 88 | 48% | 0.479 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K265 E266 L271 K272 S273 | K265-A269 WeakPolarHBondContact O-CB 3.48Å; K265-A269 PolarHBondContact O-N 3.02Å; E266-A269 PolarHBondContact O-N 3.41Å; A269-L271 PolarHBondContact O-N 2.87Å; A269-K272 PolarHBondContact O-N 3.28Å; A269-S273 PolarHBondContact O-N 3.35Å; A269-S273 PolarHBondContact O-OG 2.88Å |
| 270 | S | 94 | Very high | 86.5 | Confident | 71 Ų | 71 | 95.4 Ų | 95.4 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 176.2 | 174.6 | 0 | 0 | 0 | 0 | 112.6 | E266 L267 S273 A274 | E266-S270 WeakPolarHBondContact O-CB 3.41Å; E266-S270 PolarHBondContact O-N 2.9Å; L267-S270 PolarHBondContact O-N 3.07Å; S270-S273 PolarHBondContact O-OG 3.28Å; S270-A274 WeakPolarHBondContact O-CB 3.18Å; S270-A274 PolarHBondContact O-N 2.83Å; S270-A274 VanDerWaalsContact O-N 3.12Å |
| 271 | L | 92.5 | Very high | 84.9 | Confident | 44 Ų | 44 | 90.7 Ų | 90.7 | 23% | 0.23 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -69.5 | -39 | 175.7 | -70.2 | 169.1 | 0 | 0 | 0 | 111.9 | A221 K222 A225 L267 V268 A269 A274 D275 | A221-L271 HydrophobicContact CB-CD1 3.8Å; K222-L271 HydrophobicContact CB-CD1 4.46Å; K222-L271 HydrophobicContact CG-CD1 3.74Å; K222-L271 HydrophobicContact CG-CD2 4.31Å; A225-L271 HydrophobicContact CB-CB 3.79Å; L267-L271 HydrophobicContact CG-CD1 4.42Å; L267-L271 WeakPolarHBondContact O-CG 3.46Å; L267-L271 PolarHBondContact O-N 3.21Å; L267-L271 VanDerWaalsContact O-N 3.07Å; V268-L271 PolarHBondContact O-N 2.92Å; A269-L271 PolarHBondContact O-N 2.87Å; L271-A274 PolarHBondContact O-N 3.07Å; L271-D275 PolarHBondContact O-N 3.21Å; L271-D275 VanDerWaalsContact O-N 3.15Å |
| 272 | K | 91.2 | Very high | 83.1 | Confident | 81 Ų | 81 | 90.3 Ų | 90.3 | 35% | 0.352 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.6 | -34.8 | 175.8 | -75.1 | -175.8 | 178.3 | -170.7 | 0 | 113.1 | A225 V268 A269 R276 | A225-K272 HydrophobicContact CB-CG 3.81Å; V268-K272 HydrophobicContact CG1-CD 4.2Å; V268-K272 HydrophobicContact CG1-CG 4.46Å; V268-K272 WeakPolarHBondContact O-CG 3.33Å; V268-K272 PolarHBondContact O-N 2.78Å; A269-K272 PolarHBondContact O-N 3.28Å; K272-R276 WeakPolarHBondContact O-CG 3.32Å |
| 273 | S | 89.3 | Confident | 80.9 | Confident | 58 Ų | 58 | 91.1 Ų | 91.1 | 41% | 0.406 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.7 | -41.8 | 174.7 | 57.6 | 0 | 0 | 0 | 0 | 111.7 | A269 S270 D275 R276 D277 | A269-S273 PolarHBondContact O-N 3.35Å; A269-S273 PolarHBondContact O-OG 2.88Å; S270-S273 PolarHBondContact O-OG 3.28Å; S273-D275 VanDerWaalsContact C-N 3.3Å; S273-D275 PolarHBondContact O-N 3.3Å; S273-R276 WeakPolarHBondContact O-CB 3.28Å; S273-R276 PolarHBondContact O-N 2.99Å; S273-R276 VanDerWaalsContact O-N 3.14Å; S273-D277 PolarHBondContact O-N 3.49Å |
| 274 | A | 88.3 | Confident | 78.4 | Confident | 53 Ų | 53 | 92.3 Ų | 92.3 | 44% | 0.438 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.4 | -36.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | S270 L271 R276 D277 A278 | S270-A274 WeakPolarHBondContact O-CB 3.18Å; S270-A274 PolarHBondContact O-N 2.83Å; S270-A274 VanDerWaalsContact O-N 3.12Å; L271-A274 PolarHBondContact O-N 3.07Å; A274-R276 VanDerWaalsContact C-N 3.32Å; A274-R276 PolarHBondContact O-N 3.45Å; A274-D277 PolarHBondContact O-N 3.18Å; A274-A278 PolarHBondContact O-N 2.89Å; A274-A278 VanDerWaalsContact O-N 3.1Å |
| 275 | D | 80.1 | Confident | 76 | Confident | 102 Ų | 102 | 97.8 Ų | 97.8 | 55% | 0.545 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.6 | -32.6 | 177.9 | -147.8 | 36.8 | 0 | 0 | 0 | 112.1 | L271 S273 A278 D279 | L271-D275 PolarHBondContact O-N 3.21Å; L271-D275 VanDerWaalsContact O-N 3.15Å; S273-D275 VanDerWaalsContact C-N 3.3Å; S273-D275 PolarHBondContact O-N 3.3Å; D275-A278 PolarHBondContact O-N 2.78Å; D275-D279 PolarHBondContact O-N 3.05Å |
| 276 | R | 78.2 | Confident | 73.6 | Confident | 201 Ų | 201 | 97.6 Ų | 97.6 | 76% | 0.758 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70.1 | -33.4 | 175.5 | -64.9 | 177.8 | 78.1 | -173.8 | 4.8 | 112.5 | K272 S273 A274 | K272-R276 WeakPolarHBondContact O-CG 3.32Å; S273-R276 WeakPolarHBondContact O-CB 3.28Å; S273-R276 PolarHBondContact O-N 2.99Å; S273-R276 VanDerWaalsContact O-N 3.14Å; A274-R276 VanDerWaalsContact C-N 3.32Å; A274-R276 PolarHBondContact O-N 3.45Å |
| 277 | D | 75.3 | Confident | 70.8 | Confident | 119 Ų | 119 | 97.9 Ų | 97.9 | 64% | 0.636 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -74.5 | -33.3 | 176.7 | -65.4 | -38.9 | 0 | 0 | 0 | 111.4 | S273 A274 G281 | S273-D277 PolarHBondContact O-N 3.49Å; A274-D277 PolarHBondContact O-N 3.18Å; D277-G281 PolarHBondContact O-N 3.38Å |
| 278 | A | 70.9 | Confident | 68.5 | Low | 69 Ų | 69 | 100.9 Ų | 100.9 | 57% | 0.57 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.1 | -40.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A274 D275 R280 G281 | A274-A278 PolarHBondContact O-N 2.89Å; A274-A278 VanDerWaalsContact O-N 3.1Å; D275-A278 PolarHBondContact O-N 2.78Å; A278-R280 VanDerWaalsContact C-N 3.34Å; A278-R280 PolarHBondContact O-N 3.44Å; A278-G281 PolarHBondContact O-N 2.78Å |
| 279 | D | 63.5 | Low | 66 | Low | 129 Ų | 129 | 108.5 Ų | 108.5 | 69% | 0.69 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.8 | -32.7 | 179.9 | -167.2 | 40.9 | 0 | 0 | 0 | 112.6 | D275 G281 S282 | D275-D279 PolarHBondContact O-N 3.05Å; D279-G281 VanDerWaalsContact C-N 3.33Å; D279-G281 PolarHBondContact O-N 2.84Å; D279-S282 PolarHBondContact O-OG 3.34Å |
| 280 | R | 60 | Low | 63.8 | Low | 209 Ų | 209 | 114.2 Ų | 114.2 | 79% | 0.789 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -75.3 | -18.4 | 177.8 | -174.2 | 171 | -83.8 | -166.7 | -6.6 | 113.6 | A278 S282 | A278-R280 VanDerWaalsContact C-N 3.34Å; A278-R280 PolarHBondContact O-N 3.44Å; R280-S282 VanDerWaalsContact C-N 3.31Å; R280-S282 PolarHBondContact O-N 2.87Å |
| 281 | G | 57.3 | Low | 61.5 | Low | 71 Ų | 71 | 121 Ų | 121 | 73% | 0.732 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | D277 A278 D279 | D277-G281 PolarHBondContact O-N 3.38Å; A278-G281 PolarHBondContact O-N 2.78Å; D279-G281 VanDerWaalsContact C-N 3.33Å; D279-G281 PolarHBondContact O-N 2.84Å |
| 282 | S | 54.5 | Low | 59 | Low | 94 Ų | 94 | 121.9 Ų | 121.9 | 66% | 0.657 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | 1 | -175.8 | 67.4 | 0 | 0 | 0 | 0 | 115.2 | D279 R280 | D279-S282 PolarHBondContact O-OG 3.34Å; R280-S282 VanDerWaalsContact C-N 3.31Å; R280-S282 PolarHBondContact O-N 2.87Å |
| 283 | S | 47.5 | Very low | 56.7 | Low | 94 Ų | 94 | 124 Ų | 124 | 66% | 0.657 | 71% | 0.708 | S | S | * | * | trans | -91.7 | 103.2 | 172.7 | 54.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 284 | E | 39.7 | Very low | 54.4 | Low | 174 Ų | 174 | 126.1 Ų | 126.1 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | trans | -49 | 132.8 | 169.6 | -77.1 | -100.3 | 111.5 | 0 | 0 | 112 | T286 | E284-T286 PolarHBondContact O-N 2.86Å; E284-T286 VanDerWaalsContact O-N 3.11Å | ||
| 285 | P | 44.6 | Very low | 52.4 | Low | 117 Ų | 117 | 130.2 Ų | 130.2 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | trans | -78.4 | 98.7 | 175.5 | 29.6 | -29.1 | 0 | 0 | 0 | 109.9 | T287 | P285-T287 PolarHBondContact O-N 2.93Š| ||
| 286 | T | 43.1 | Very low | 50.6 | Low | 124 Ų | 124 | 136.6 Ų | 136.6 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | trans | -65.7 | 103.9 | 170.9 | -54.8 | 0 | 0 | 0 | 0 | 110.8 | E284 S288 | E284-T286 PolarHBondContact O-N 2.86Å; E284-T286 VanDerWaalsContact O-N 3.11Å; T286-S288 PolarHBondContact O-N 2.93Å; T286-S288 VanDerWaalsContact O-N 3.14Å | ||
| 287 | T | 37.5 | Very low | 49 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -38.3 | 108.1 | 162.9 | -29.8 | 0 | 0 | 0 | 0 | 111.9 | P285 | P285-T287 PolarHBondContact O-N 2.93Š| ||
| 288 | S | 44.6 | Very low | 47.4 | Very low | 110 Ų | 110 | 138 Ų | 138 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -131.9 | 104.1 | 161.5 | 37.7 | 0 | 0 | 0 | 0 | 109.5 | T286 L290 | T286-S288 PolarHBondContact O-N 2.93Å; T286-S288 VanDerWaalsContact O-N 3.14Å; S288-L290 PolarHBondContact O-N 3.1Å | ||
| 289 | H | 41.6 | Very low | 45.9 | Very low | 169 Ų | 169 | 140.8 Ų | 140.8 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | trans | -68.8 | 107.2 | 179.9 | -159.4 | -93.5 | 0 | 0 | 0 | 109 | ||||
| 290 | L | 45.1 | Very low | 44.9 | Very low | 178 Ų | 178 | 139.7 Ų | 139.7 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | trans | -132.2 | 124.7 | 162.8 | -88.8 | 167.9 | 0 | 0 | 0 | 111.9 | S288 | S288-L290 PolarHBondContact O-N 3.1Š| ||
| 291 | Y | 45.7 | Very low | 44 | Very low | 214 Ų | 214 | 137.4 Ų | 137.4 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -72.6 | 131.2 | -167.1 | -160.3 | -102.6 | 0 | 0 | 0 | 112.4 | ||||
| 292 | G | 40.9 | Very low | 43.3 | Very low | 63 Ų | 63 | 139.7 Ų | 139.7 | 65% | 0.649 | 80% | 0.803 | S | S | * | * | trans | 45.5 | 109 | 140 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 293 | S | 44.1 | Very low | 42.8 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 88% | 0.881 | 81% | 0.806 | S | S | * | * | -155.3 | 114 | 129.2 | -97.9 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 294 | A | 41.1 | Very low | 42.2 | Very low | 101 Ų | 101 | 143.6 Ų | 143.6 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | -78.1 | 127.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 295 | V | 45.1 | Very low | 42.3 | Very low | 139 Ų | 139 | 142 Ų | 142 | 84% | 0.842 | 82% | 0.817 | S | S | * | * | trans | -137.5 | 110.1 | 155.7 | 177.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 296 | R | 42.5 | Very low | 41.7 | Very low | 236 Ų | 236 | 144.2 Ų | 144.2 | 89% | 0.891 | 82% | 0.817 | S | S | * | * | trans | -85.8 | 137.9 | 166.6 | -70.6 | -177.6 | -173.1 | -173.7 | 1.9 | 108.8 | ||||
| 297 | V | 43.8 | Very low | 41.4 | Very low | 123 Ų | 123 | 144.6 Ų | 144.6 | 75% | 0.745 | 82% | 0.819 | S | S | * | * | trans | -155.7 | 113.9 | 140 | 179.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 298 | R | 41.9 | Very low | 41 | Very low | 227 Ų | 227 | 142.2 Ų | 142.2 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | trans | 43 | 114.8 | 137.9 | -53.1 | 175.2 | 176.2 | -178.6 | -4 | 119.6 | ||||
| 299 | S | 40.3 | Very low | 40.9 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | 66.9 | 108.9 | 79.5 | -59.5 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 300 | A | 42.6 | Very low | 40.7 | Very low | 106 Ų | 106 | 141.2 Ų | 141.2 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | trans | -168.7 | 111.2 | 145.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 301 | D | 39.7 | Very low | 40.4 | Very low | 161 Ų | 161 | 140.1 Ų | 140.1 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | -89.3 | 151.4 | 149.8 | -109.2 | -49.6 | 0 | 0 | 0 | 107.1 | ||||
| 302 | P | 44.6 | Very low | 40.1 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | -159.6 | 166.5 | 100.2 | 39.2 | -18.8 | 0 | 0 | 0 | 118.5 | |||||
| 303 | A | 42.2 | Very low | 40 | Very low | 87 Ų | 87 | 141 Ų | 141 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | trans | 90.9 | 104.6 | 137.9 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 304 | H | 36.6 | Very low | 39.6 | Very low | 183 Ų | 183 | 140.8 Ų | 140.8 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | 10 | 129.5 | 130 | -81.5 | -93.9 | 0 | 0 | 0 | 120.5 | |||||
| 305 | V | 41.6 | Very low | 39.2 | Very low | 141 Ų | 141 | 143.9 Ų | 143.9 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | -139.9 | 123.9 | 144.2 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 306 | H | 32.4 | Very low | 39.2 | Very low | 163 Ų | 163 | 143 Ų | 143 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -131 | 120.8 | 172 | -158.4 | -65.8 | 0 | 0 | 0 | 106.1 | ||||
| 307 | V | 36.8 | Very low | 38.7 | Very low | 133 Ų | 133 | 139 Ų | 139 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | trans | -146.6 | 127.5 | 167.3 | 177.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 308 | S | 29 | Very low | 38.5 | Very low | 81 Ų | 81 | 139 Ų | 139 | 57% | 0.566 | 79% | 0.787 | S | S | * | * | trans | -95.6 | 160.5 | -178.7 | -50.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 309 | S | 42.3 | Very low | 38.2 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | -158.4 | 106.9 | 155.2 | -50.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 310 | D | 36 | Very low | 38 | Very low | 146 Ų | 146 | 133 Ų | 133 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | 76.3 | 116.7 | 76.4 | -69.8 | -46.2 | 0 | 0 | 0 | 114.2 | |||||
| 311 | D | 40.3 | Very low | 37.7 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | trans | 165.2 | 98.5 | 149.3 | -96.1 | -55.8 | 0 | 0 | 0 | 107.1 | ||||
| 312 | E | 39.4 | Very low | 37.8 | Very low | 146 Ų | 146 | 134.7 Ų | 134.7 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | 52.3 | 130 | 83.1 | -64.4 | -97.7 | 97.9 | 0 | 0 | 111.3 | |||||
| 313 | H | 36.8 | Very low | 37.3 | Very low | 149 Ų | 149 | 133.4 Ų | 133.4 | 69% | 0.69 | 77% | 0.765 | S | S | * | * | cis | -176.9 | 162.6 | 10.8 | -131.1 | -22.8 | 0 | 0 | 0 | 107.3 | ||||
| 314 | V | 36.5 | Very low | 37.3 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | trans | 86.9 | 106.3 | 151.5 | -169.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 315 | L | 32.9 | Very low | 37.6 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | trans | -86.6 | 160.3 | 146.6 | -70.5 | 172.2 | 0 | 0 | 0 | 109.6 | ||||
| 316 | P | 44.8 | Very low | 37.2 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | -134.3 | 146.3 | 130.5 | 34.4 | -21.2 | 0 | 0 | 0 | 114.7 | ||||
| 317 | D | 31.4 | Very low | 37.6 | Very low | 152 Ų | 152 | 132.2 Ų | 132.2 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | -69.4 | 157.4 | 168.2 | -158.1 | -10.1 | 0 | 0 | 0 | 111.6 | ||||
| 318 | V | 40.5 | Very low | 37.7 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 76% | 0.758 | 77% | 0.767 | S | S | * | * | trans | 155.1 | 104.3 | 148.5 | 156.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 319 | S | 36 | Very low | 38.3 | Very low | 91 Ų | 91 | 134.8 Ų | 134.8 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | 53.9 | 119.4 | 125.5 | -39.4 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 320 | T | 36.2 | Very low | 38.9 | Very low | 135 Ų | 135 | 135 Ų | 135 | 83% | 0.828 | 77% | 0.772 | S | S | * | * | 167 | 124.2 | 98.1 | -64.5 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 321 | F | 35.7 | Very low | 39 | Very low | 194 Ų | 194 | 136.2 Ų | 136.2 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | trans | -62.1 | -170.6 | 171.4 | -79.4 | -85.1 | 0 | 0 | 0 | 114.7 | ||||
| 322 | P | 41.9 | Very low | 38.8 | Very low | 110 Ų | 110 | 137.4 Ų | 137.4 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | cis | -138.8 | 171.5 | -26.6 | 25.1 | -2.2 | 0 | 0 | 0 | 115.8 | ||||
| 323 | A | 35.1 | Very low | 38.5 | Very low | 92 Ų | 92 | 135.9 Ų | 135.9 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | 48.7 | 126.6 | 135.6 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 324 | S | 41.9 | Very low | 38.4 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | -161.8 | 116.2 | 129 | -71 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 325 | E | 41.3 | Very low | 38.3 | Very low | 175 Ų | 175 | 137.4 Ų | 137.4 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | 42.3 | 114.1 | 147.1 | -66.5 | 174.8 | 113.6 | 0 | 0 | 121.6 | ||||
| 326 | T | 34.6 | Very low | 38.4 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | 64.4 | 110.7 | 87.1 | -40.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 327 | V | 40.4 | Very low | 38 | Very low | 135 Ų | 135 | 140.6 Ų | 140.6 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | -172.6 | 135.5 | 90.7 | 162.4 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 328 | L | 38.1 | Very low | 38.5 | Very low | 159 Ų | 159 | 142.9 Ų | 142.9 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 160.1 | 175.8 | -76.7 | 146 | 0 | 0 | 0 | 113.5 | ||
| 329 | P | 43.2 | Very low | 38.4 | Very low | 110 Ų | 110 | 142.7 Ų | 142.7 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 152.8 | 173.2 | 36.8 | -30.3 | 0 | 0 | 0 | 112.8 | ||
| 330 | P | 53.2 | Low | 38.4 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 125.9 | 168 | 33.3 | -27.3 | 0 | 0 | 0 | 110.8 | ||
| 331 | E | 39.4 | Very low | 38.7 | Very low | 171 Ų | 171 | 143.4 Ų | 143.4 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | 64.8 | 93.2 | 91.8 | -59.2 | -104.2 | 114.9 | 0 | 0 | 111.8 | |||||
| 332 | Q | 36.4 | Very low | 38.8 | Very low | 180 Ų | 180 | 139.4 Ų | 139.4 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | 43.8 | 111.6 | 97.1 | -68.2 | -163.6 | 8.6 | 0 | 0 | 115 | |||||
| 333 | C | 31.8 | Very low | 38.7 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 76% | 0.764 | 81% | 0.807 | S | S | * | * | trans | -164.7 | 124.3 | 141.5 | -124.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 334 | I | 35.8 | Very low | 38.7 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 73% | 0.728 | 81% | 0.806 | S | S | * | * | trans | 58.5 | 108 | 141.4 | 46 | -177.4 | 0 | 0 | 0 | 119.5 | ||||
| 335 | L | 33.8 | Very low | 38.6 | Very low | 161 Ų | 161 | 142.9 Ų | 142.9 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | 95.1 | 141.6 | 59.9 | -88.9 | 177.6 | 0 | 0 | 0 | 114.5 | |||||
| 336 | S | 34.3 | Very low | 38.4 | Very low | 103 Ų | 103 | 143.4 Ų | 143.4 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | trans | 92.1 | 95.2 | 149.1 | -62.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 337 | R | 37.9 | Very low | 38.4 | Very low | 249 Ų | 249 | 143.3 Ų | 143.3 | 94% | 0.94 | 81% | 0.814 | S | S | * | * | -171.6 | 92.3 | 116.9 | -105.5 | 172.8 | 161.2 | -135.5 | -3.1 | 111.2 | |||||
| 338 | Q | 40.2 | Very low | 38.3 | Very low | 201 Ų | 201 | 145 Ų | 145 | 94% | 0.939 | 82% | 0.818 | S | S | * | * | trans | -119.2 | 111.9 | 151.5 | -72.8 | -176 | 7.4 | 0 | 0 | 106.4 | ||||
| 339 | S | 38.5 | Very low | 38.3 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -94.3 | 128.6 | 174.9 | 47 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 340 | A | 37.1 | Very low | 37.9 | Very low | 91 Ų | 91 | 145.1 Ų | 145.1 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | trans | -65 | 149.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 341 | T | 41.6 | Very low | 37.1 | Very low | 151 Ų | 151 | 146.5 Ų | 146.5 | 93% | 0.926 | 82% | 0.821 | S | S | * | * | trans | -140.6 | 114.2 | 135.5 | 50.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 342 | S | 38.7 | Very low | 37.1 | Very low | 109 Ų | 109 | 146.8 Ų | 146.8 | 76% | 0.762 | 82% | 0.822 | S | S | * | * | trans | -113.1 | 161.7 | 176.8 | 178.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 343 | S | 39.2 | Very low | 37.2 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | 93.8 | 124.5 | 174.6 | -36.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 344 | A | 36.1 | Very low | 37.6 | Very low | 90 Ų | 90 | 146 Ų | 146 | 74% | 0.744 | 82% | 0.82 | S | S | * | * | cis | -150.7 | 136.8 | 20.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 345 | L | 39 | Very low | 37.9 | Very low | 179 Ų | 179 | 147.4 Ų | 147.4 | 94% | 0.937 | 83% | 0.828 | S | S | * | * | trans | -100.6 | 114.5 | 159 | -75.4 | 176 | 0 | 0 | 0 | 107.2 | ||||
| 346 | H | 36.7 | Very low | 38.2 | Very low | 187 Ų | 187 | 145.3 Ų | 145.3 | 87% | 0.866 | 82% | 0.824 | S | S | * | * | trans | -98.2 | 126.6 | 163.7 | -115.7 | -87.7 | 0 | 0 | 0 | 108.7 | ||||
| 347 | V | 34.1 | Very low | 38.2 | Very low | 123 Ų | 123 | 144.1 Ų | 144.1 | 75% | 0.745 | 83% | 0.829 | S | S | * | * | trans | -57.4 | 124.5 | 170 | 172.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 348 | L | 39.3 | Very low | 38.5 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 89% | 0.89 | 83% | 0.827 | S | S | * | * | trans | -144.1 | 124.7 | 144.1 | -78.9 | -176.2 | 0 | 0 | 0 | 110 | ||||
| 349 | S | 38.3 | Very low | 38.4 | Very low | 91 Ų | 91 | 137.9 Ų | 137.9 | 64% | 0.636 | 82% | 0.819 | S | S | * | * | trans | -69.8 | 146.3 | 175.8 | 39.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 350 | H | 33.7 | Very low | 38.5 | Very low | 182 Ų | 182 | 138.5 Ų | 138.5 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | trans | 43.5 | 107.4 | 149.5 | -66.4 | -75.3 | 0 | 0 | 0 | 119 | ||||
| 351 | T | 37.7 | Very low | 38.8 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 90% | 0.896 | 82% | 0.817 | S | S | * | * | trans | -151.1 | 128.3 | 132 | 45.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 352 | E | 39 | Very low | 38.5 | Very low | 177 Ų | 177 | 138.2 Ų | 138.2 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | trans | -69.3 | 175 | 167 | -57.3 | -152.3 | 108.8 | 0 | 0 | 110.6 | ||||
| 353 | D | 38.8 | Very low | 38.7 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | trans | 105.2 | 111.1 | 160.8 | -62.8 | -47.4 | 0 | 0 | 0 | 119.9 | ||||
| 354 | V | 39.5 | Very low | 39 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 77% | 0.77 | 81% | 0.81 | S | S | * | * | trans | 86.8 | 99.1 | 139.6 | -176 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 355 | L | 42.4 | Very low | 39 | Very low | 171 Ų | 171 | 146.2 Ų | 146.2 | 90% | 0.895 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 131.8 | 154.4 | -75.3 | 174.5 | 0 | 0 | 0 | 109.9 | ||
| 356 | P | 39.5 | Very low | 39.1 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 138.9 | 175.7 | 32.1 | -30.8 | 0 | 0 | 0 | 111.3 | ||
| 357 | G | 35.9 | Very low | 39.1 | Very low | 79 Ų | 79 | 142.2 Ų | 142.2 | 81% | 0.814 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 149.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 358 | K | 43.9 | Very low | 39.1 | Very low | 208 Ų | 208 | 141.9 Ų | 141.9 | 90% | 0.904 | 81% | 0.81 | S | S | * | * | trans | -110 | 102.3 | 165.6 | -115.3 | 157.2 | -178.3 | 171.4 | 0 | 109.7 | T360 | K358-T360 PolarHBondContact O-N 3.23Š| ||
| 359 | S | 37.7 | Very low | 39.4 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -51.6 | 120.7 | 169 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 360 | T | 40.6 | Very low | 39.5 | Very low | 133 Ų | 133 | 141.9 Ų | 141.9 | 82% | 0.816 | 82% | 0.815 | S | S | * | * | trans | -113.3 | 114 | 161.9 | -61.9 | 0 | 0 | 0 | 0 | 107.1 | K358 | K358-T360 PolarHBondContact O-N 3.23Š| ||
| 361 | V | 42.3 | Very low | 39.5 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 136.7 | 178 | 177.4 | 0 | 0 | 0 | 0 | 109.8 | ||
| 362 | P | 37.2 | Very low | 39.7 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -82 | 137.5 | 178.8 | 32.7 | -31.4 | 0 | 0 | 0 | 111 | ||
| 363 | M | 40.9 | Very low | 39.8 | Very low | 181 Ų | 181 | 137.2 Ų | 137.2 | 89% | 0.892 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 132 | 172.1 | -138.1 | -176.8 | 74.1 | 0 | 0 | 109.2 | ||
| 364 | P | 46.5 | Very low | 39.8 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 71% | 0.714 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 141.2 | -174 | 31.7 | -32.2 | 0 | 0 | 0 | 113.2 | ||
| 365 | E | 35.6 | Very low | 39.8 | Very low | 194 Ų | 194 | 137.8 Ų | 137.8 | 91% | 0.907 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 132.5 | 163.5 | -79.2 | 179.6 | 99.7 | 0 | 0 | 111.3 | ||
| 366 | V | 41.6 | Very low | 39.6 | Very low | 127 Ų | 127 | 133.1 Ų | 133.1 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | trans | -136.3 | 99.1 | 155.5 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 367 | L | 37.1 | Very low | 39.3 | Very low | 155 Ų | 155 | 137.9 Ų | 137.9 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | trans | 48.5 | 104.6 | 131.5 | -57.3 | 174.3 | 0 | 0 | 0 | 120.5 | ||||
| 368 | S | 34.2 | Very low | 39.3 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -5.4 | 130.5 | 139.4 | -44.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 369 | V | 46.1 | Very low | 38.7 | Very low | 145 Ų | 145 | 135.8 Ų | 135.8 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | -162.9 | 161.4 | 126.8 | -119.2 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 370 | P | 40.1 | Very low | 39 | Very low | 116 Ų | 116 | 136.8 Ų | 136.8 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | -119.9 | 174.4 | -125 | 24 | 1.5 | 0 | 0 | 0 | 115.2 | |||||
| 371 | D | 33.3 | Very low | 38.8 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | -39.1 | 137.8 | 176.5 | -73.2 | -76.2 | 0 | 0 | 0 | 116.8 | ||||
| 372 | S | 41.6 | Very low | 38.5 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | trans | -162.7 | 109.3 | 143.3 | -78.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 373 | V | 41.3 | Very low | 39.2 | Very low | 136 Ų | 136 | 138.6 Ų | 138.6 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | trans | 70.3 | 100.5 | 134 | -168.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 374 | L | 39.1 | Very low | 39.1 | Very low | 162 Ų | 162 | 138.4 Ų | 138.4 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | trans | -57 | 153.6 | 152.4 | -70.3 | 177.2 | 0 | 0 | 0 | 110.8 | ||||
| 375 | P | 38.4 | Very low | 38.6 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | -157 | 172.1 | 70.6 | 38.7 | -16.4 | 0 | 0 | 0 | 117.7 | |||||
| 376 | G | 37.8 | Very low | 38.7 | Very low | 74 Ų | 74 | 137 Ų | 137 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | trans | 116.9 | 89.8 | 144.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | S378 | G376-S378 PolarHBondContact O-N 3.38Š| ||
| 377 | K | 33.4 | Very low | 38.5 | Very low | 216 Ų | 216 | 135.6 Ų | 135.6 | 94% | 0.939 | 80% | 0.803 | S | S | * | * | trans | -64 | 125.8 | 159.8 | -73.4 | 158 | 174.7 | 174.1 | 0 | 109 | ||||
| 378 | S | 37 | Very low | 39 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -136.4 | 116.3 | 161.6 | -167.5 | 0 | 0 | 0 | 0 | 110.2 | G376 | G376-S378 PolarHBondContact O-N 3.38Š| ||
| 379 | T | 32.1 | Very low | 39.4 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | trans | -71 | 135.9 | 172.2 | -59.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 380 | V | 42.5 | Very low | 38.8 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -124.5 | 128.6 | 164.6 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 381 | P | 37.6 | Very low | 38.7 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 161.4 | -173.5 | 36.7 | -32.2 | 0 | 0 | 0 | 113.1 | ||
| 382 | M | 35.8 | Very low | 39.1 | Very low | 177 Ų | 177 | 134.5 Ų | 134.5 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 142.5 | 177.1 | -144.5 | 176.6 | 74 | 0 | 0 | 111.3 | ||
| 383 | P | 51.3 | Low | 38.9 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 146.9 | 176.4 | 33.4 | -30.2 | 0 | 0 | 0 | 113.5 | ||
| 384 | E | 39.3 | Very low | 39 | Very low | 177 Ų | 177 | 136.3 Ų | 136.3 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 152.7 | -176.8 | -98.5 | -171.4 | 109.7 | 0 | 0 | 115 | ||
| 385 | V | 35.9 | Very low | 38.9 | Very low | 94 Ų | 94 | 131.7 Ų | 131.7 | 57% | 0.57 | 80% | 0.796 | S | S | * | * | trans | 64.4 | 117.8 | 132.6 | -177.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 386 | L | 38.2 | Very low | 38.8 | Very low | 181 Ų | 181 | 135 Ų | 135 | 95% | 0.948 | 80% | 0.8 | S | S | * | * | -141 | 120 | 125.8 | -79.2 | -176.3 | 0 | 0 | 0 | 110.7 | |||||
| 387 | S | 36.4 | Very low | 38.8 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | trans | -90.2 | 142.4 | 176.9 | -46.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 388 | V | 48.3 | Very low | 38.9 | Very low | 145 Ų | 145 | 131.4 Ų | 131.4 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -151.5 | 140.9 | 148.4 | -170.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 389 | P | 40.9 | Very low | 39 | Very low | 115 Ų | 115 | 133 Ų | 133 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | trans | -106.3 | 175.9 | -155.4 | 40 | -31.8 | 0 | 0 | 0 | 116.5 | ||||
| 390 | D | 34 | Very low | 39.3 | Very low | 152 Ų | 152 | 132.5 Ų | 132.5 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | -33.6 | 149.2 | 172.3 | -70.7 | -77 | 0 | 0 | 0 | 117.8 | ||||
| 391 | S | 39.1 | Very low | 38.9 | Very low | 111 Ų | 111 | 132 Ų | 132 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | 177 | 146.6 | 113.4 | -70.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 392 | V | 40 | Very low | 39.4 | Very low | 142 Ų | 142 | 132 Ų | 132 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | trans | 97.9 | 93.9 | 150.1 | -160.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 393 | L | 39.2 | Very low | 39.5 | Very low | 158 Ų | 158 | 132.4 Ų | 132.4 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | -68.9 | 173.7 | 145.6 | -67.3 | 175.9 | 0 | 0 | 0 | 110.3 | ||||
| 394 | P | 41.7 | Very low | 38.8 | Very low | 130 Ų | 130 | 132.2 Ų | 132.2 | 84% | 0.844 | 78% | 0.776 | S | S | * | * | cis | -139.3 | -169.6 | 21.7 | 35 | -9.4 | 0 | 0 | 0 | 111.9 | ||||
| 395 | G | 38.2 | Very low | 38.6 | Very low | 64 Ų | 64 | 131 Ų | 131 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | cis | 168.9 | 164.8 | 21.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 396 | E | 35.6 | Very low | 38.8 | Very low | 195 Ų | 195 | 131.5 Ų | 131.5 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | trans | 62.1 | 141.9 | 154.8 | -94.8 | -178.5 | 90.7 | 0 | 0 | 119.4 | ||||
| 397 | S | 37.3 | Very low | 38.7 | Very low | 90 Ų | 90 | 129.1 Ų | 129.1 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | cis | -174.2 | 158.4 | 7.1 | -166 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 398 | T | 36.9 | Very low | 38.9 | Very low | 125 Ų | 125 | 130 Ų | 130 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | trans | 89.1 | 106 | 145.3 | -52.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 399 | I | 37.8 | Very low | 38.1 | Very low | 146 Ų | 146 | 129.8 Ų | 129.8 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | trans | -75.1 | 152.4 | 156.3 | -61.1 | 165.2 | 0 | 0 | 0 | 107.2 | ||||
| 400 | P | 38.3 | Very low | 38 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | -156.3 | 161.8 | 65.1 | 38.9 | -13.9 | 0 | 0 | 0 | 121.4 | |||||
| 401 | T | 35.9 | Very low | 37.9 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | -70.4 | -166.3 | 161.2 | 47 | 0 | 0 | 0 | 0 | 112 | ||||
| 402 | P | 46.6 | Very low | 37.6 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | cis | -134.9 | 167.1 | -34.3 | 24.8 | -3.9 | 0 | 0 | 0 | 113.5 | ||||
| 403 | E | 39.4 | Very low | 37.3 | Very low | 187 Ų | 187 | 132.2 Ų | 132.2 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | trans | -148.9 | 109.7 | 149.9 | -93.9 | -164.9 | 116.7 | 0 | 0 | 108.7 | ||||
| 404 | V | 34.8 | Very low | 36.9 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | 56.4 | 113.9 | 94.7 | -172.4 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 405 | L | 37.1 | Very low | 36.8 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | 174.1 | 112.4 | 124.3 | -86.5 | 171.6 | 0 | 0 | 0 | 112 | |||||
| 406 | S | 38.2 | Very low | 36.4 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | 58.3 | 111.1 | 130.9 | -52.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 407 | V | 37.3 | Very low | 36.5 | Very low | 131 Ų | 131 | 134.8 Ų | 134.8 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | trans | -63.5 | 155.5 | 151.3 | -151.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 408 | P | 40.5 | Very low | 36.2 | Very low | 115 Ų | 115 | 136 Ų | 136 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | -147.5 | 166.1 | 101.5 | 35 | -16.1 | 0 | 0 | 0 | 116.1 | |||||
| 409 | D | 32 | Very low | 36.3 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | -34 | 138.2 | 175.6 | -58.3 | -79.9 | 0 | 0 | 0 | 117.9 | ||||
| 410 | Y | 37.3 | Very low | 36.1 | Very low | 223 Ų | 223 | 136.7 Ų | 136.7 | 88% | 0.875 | 77% | 0.773 | S | S | * | * | trans | -133.1 | 112.9 | 148.3 | -132.5 | -94.7 | 0 | 0 | 0 | 110.9 | ||||
| 411 | V | 31.9 | Very low | 36 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 66% | 0.661 | 77% | 0.772 | S | S | * | * | trans | -73 | 163.4 | 166.6 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 412 | L | 33.1 | Very low | 36.2 | Very low | 144 Ų | 144 | 137.2 Ų | 137.2 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | 91.5 | 135.7 | 170.1 | -51 | 167 | 0 | 0 | 0 | 113.4 | ||||
| 413 | S | 33.8 | Very low | 35.7 | Very low | 96 Ų | 96 | 140.1 Ų | 140.1 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | cis | -167.1 | 145.3 | -1.8 | -93.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 414 | R | 32.4 | Very low | 35.6 | Very low | 246 Ų | 246 | 139 Ų | 139 | 93% | 0.928 | 78% | 0.78 | S | S | * | * | trans | -59.2 | 147.5 | 166.5 | -81.2 | 174.5 | 157.7 | -164.1 | -6 | 110.4 | ||||
| 415 | P | 38.7 | Very low | 35.5 | Very low | 113 Ų | 113 | 138 Ų | 138 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -120.1 | 121.7 | 139 | 30.3 | -17 | 0 | 0 | 0 | 110.6 | ||||
| 416 | S | 30 | Very low | 35.7 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -57 | 123.1 | 156.8 | 35.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 417 | V | 37.9 | Very low | 35.6 | Very low | 124 Ų | 124 | 141 Ų | 141 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | -137.6 | 112.9 | 159 | -173.3 | 0 | 0 | 0 | 0 | 109.3 | V419 | V417-V419 HydrophobicContact CG1-CG2 4.16Š| ||
| 418 | S | 31 | Very low | 36.1 | Very low | 116 Ų | 116 | 140 Ų | 140 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | -76.7 | 124.7 | 167.9 | 38.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 419 | V | 38.2 | Very low | 36.2 | Very low | 133 Ų | 133 | 142 Ų | 142 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | -142 | 111.9 | 161.5 | -175.3 | 0 | 0 | 0 | 0 | 108.3 | V417 | V417-V419 HydrophobicContact CG1-CG2 4.16Š| ||
| 420 | L | 34.8 | Very low | 36.5 | Very low | 152 Ų | 152 | 139.9 Ų | 139.9 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 158.2 | 164.6 | -87.3 | 167.7 | 0 | 0 | 0 | 109.8 | ||
| 421 | P | 34.9 | Very low | 36.7 | Very low | 118 Ų | 118 | 133.5 Ų | 133.5 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 149.7 | -163.2 | 34.2 | -28.2 | 0 | 0 | 0 | 113.5 | ||
| 422 | T | 40.7 | Very low | 37.2 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 116.9 | 173.8 | -57.5 | 0 | 0 | 0 | 0 | 110.1 | ||
| 423 | E | 35.3 | Very low | 37.8 | Very low | 171 Ų | 171 | 135.7 Ų | 135.7 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 138.4 | 163 | -73.4 | -97.3 | 111.7 | 0 | 0 | 110.8 | ||
| 424 | L | 37.9 | Very low | 38.2 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | trans | -138.1 | 108.4 | 159.3 | -99.1 | 172.9 | 0 | 0 | 0 | 110.3 | ||||
| 425 | S | 33.2 | Very low | 38.7 | Very low | 95 Ų | 95 | 129.4 Ų | 129.4 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | trans | -73.9 | 140.7 | 169.5 | -34.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 426 | I | 39.9 | Very low | 38.7 | Very low | 164 Ų | 164 | 127.4 Ų | 127.4 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | -134 | 114.7 | 160.9 | -59.5 | 179 | 0 | 0 | 0 | 107.7 | ||||
| 427 | L | 37.9 | Very low | 39.3 | Very low | 155 Ų | 155 | 128.7 Ų | 128.7 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | trans | -92.1 | -168 | 173 | -66.9 | 173.2 | 0 | 0 | 0 | 110.6 | ||||
| 428 | P | 47.5 | Very low | 39.1 | Very low | 109 Ų | 109 | 133 Ų | 133 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | -129.4 | -170.4 | -108.4 | 33.7 | -8 | 0 | 0 | 0 | 112.8 | |||||
| 429 | N | 42.2 | Very low | 39.2 | Very low | 158 Ų | 158 | 133.6 Ų | 133.6 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -158.2 | 115.5 | 158.3 | -96 | -22.7 | 0 | 0 | 0 | 108.7 | ||||
| 430 | A | 38.7 | Very low | 39.2 | Very low | 96 Ų | 96 | 135.1 Ų | 135.1 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | 64.9 | 128.8 | 88.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 431 | A | 40.9 | Very low | 39.3 | Very low | 89 Ų | 89 | 135.7 Ų | 135.7 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | cis | -158 | 164.7 | 17 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 432 | T | 42.1 | Very low | 39.2 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | 165.6 | 128.2 | 86.8 | -63.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 433 | H | 45 | Very low | 39.5 | Very low | 191 Ų | 191 | 132.4 Ų | 132.4 | 88% | 0.884 | 78% | 0.777 | S | S | * | * | trans | 52.7 | 136.3 | 157.6 | -54.8 | -46.6 | 0 | 0 | 0 | 121 | ||||
| 434 | G | 43.6 | Very low | 40 | Very low | 70 Ų | 70 | 130.3 Ų | 130.3 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | cis | -172.5 | 174.2 | 9.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 435 | P | 41.6 | Very low | 40.5 | Very low | 140 Ų | 140 | 128.9 Ų | 128.9 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | trans | -104.2 | 155.2 | -148.3 | 37.5 | -31.6 | 0 | 0 | 0 | 115.3 | ||||
| 436 | G | 39.5 | Very low | 41.5 | Very low | 70 Ų | 70 | 130.3 Ų | 130.3 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | -168.4 | 82.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 437 | V | 43.8 | Very low | 42.5 | Very low | 145 Ų | 145 | 124.8 Ų | 124.8 | 88% | 0.879 | 74% | 0.736 | S | S | * | * | trans | 68.6 | 111.5 | 144.5 | -163.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 438 | Y | 31.9 | Very low | 44 | Very low | 214 Ų | 214 | 123.1 Ų | 123.1 | 84% | 0.839 | 72% | 0.724 | S | S | * | * | trans | -34.7 | 150.3 | 157.4 | -90.3 | -114.1 | 0 | 0 | 0 | 114.4 | ||||
| 439 | N | 34.8 | Very low | 45.2 | Very low | 129 Ų | 129 | 124.8 Ų | 124.8 | 69% | 0.69 | 72% | 0.724 | S | S | * | * | -173.3 | 159.3 | 52.1 | -158.3 | 1.1 | 0 | 0 | 0 | 111.7 | |||||
| 440 | Q | 38.1 | Very low | 46.7 | Very low | 164 Ų | 164 | 124.2 Ų | 124.2 | 77% | 0.766 | 72% | 0.717 | S | S | * | * | trans | 85.5 | 77.3 | 163.8 | -57.3 | 178 | 34.8 | 0 | 0 | 118.7 | ||||
| 441 | Q | 35.3 | Very low | 48.5 | Very low | 164 Ų | 164 | 125.4 Ų | 125.4 | 77% | 0.766 | 71% | 0.709 | S | S | * | * | trans | -140.2 | 83.9 | 152.8 | -159.5 | 73 | 29.6 | 0 | 0 | 109.2 | ||||
| 442 | A | 33.8 | Very low | 50.5 | Low | 100 Ų | 100 | 126 Ų | 126 | 83% | 0.826 | 70% | 0.7 | S | S | * | * | trans | -131.8 | 99.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 443 | S | 46.7 | Very low | 52.3 | Low | 84 Ų | 84 | 127.1 Ų | 127.1 | 59% | 0.587 | 70% | 0.697 | S | S | * | * | S | Bend | trans | 173.9 | -4.9 | 169.3 | 39.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 444 | H | 45.3 | Very low | 53.9 | Low | 127 Ų | 127 | 121.6 Ų | 121.6 | 59% | 0.588 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -84.7 | -33.6 | -170.5 | -154.1 | -90.7 | 0 | 0 | 0 | 114.3 | S447 | H444-S447 PolarHBondContact O-OG 3.43Å |
| 445 | D | 48.9 | Very low | 55.7 | Low | 133 Ų | 133 | 123.5 Ų | 123.5 | 71% | 0.711 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -73 | -31.3 | -176 | -70.3 | -66.6 | 0 | 0 | 0 | 114.2 | S447 E448 M449 | D445-S447 VanDerWaalsContact C-N 3.32Å; D445-S447 PolarHBondContact O-N 3.46Å; D445-E448 PolarHBondContact O-N 3.25Å; D445-M449 PolarHBondContact O-N 3.17Å |
| 446 | D | 54.7 | Low | 57.7 | Low | 125 Ų | 125 | 123.1 Ų | 123.1 | 67% | 0.668 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -68.6 | -32.7 | 179 | -69.9 | -48.2 | 0 | 0 | 0 | 112.1 | E448 E450 | D446-E448 PolarHBondContact O-N 2.82Å; D446-E450 WeakPolarHBondContact O-CB 3.27Å; D446-E450 PolarHBondContact O-N 3.31Å; D446-E450 VanDerWaalsContact O-N 3.1Å |
| 447 | S | 60.9 | Low | 59.6 | Low | 49 Ų | 49 | 122.5 Ų | 122.5 | 34% | 0.343 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -71.3 | -29 | -179.5 | 68.3 | 0 | 0 | 0 | 0 | 113.6 | H444 D445 L451 | H444-S447 PolarHBondContact O-OG 3.43Å; D445-S447 VanDerWaalsContact C-N 3.32Å; D445-S447 PolarHBondContact O-N 3.46Å; S447-L451 PolarHBondContact O-N 3.15Å; S447-L451 VanDerWaalsContact O-N 3.12Å |
| 448 | E | 68.8 | Low | 61.3 | Low | 120 Ų | 120 | 119.7 Ų | 119.7 | 56% | 0.561 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -78.2 | -36.2 | 179.2 | -153 | 175.3 | 172.1 | 0 | 0 | 111.4 | D445 D446 L452 | D445-E448 PolarHBondContact O-N 3.25Å; D446-E448 PolarHBondContact O-N 2.82Å; E448-L452 PolarHBondContact O-N 3.07Å; E448-L452 VanDerWaalsContact O-N 3.07Å |
| 449 | M | 72.5 | Confident | 63.4 | Low | 144 Ų | 144 | 114.8 Ų | 114.8 | 71% | 0.709 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.4 | -40.6 | 170.5 | -94.7 | -102.8 | -75.7 | 0 | 0 | 112.3 | D445 L452 H453 | D445-M449 PolarHBondContact O-N 3.17Å; M449-L452 PolarHBondContact O-N 3.23Å; M449-H453 WeakPolarHBondContact O-CB 3.32Å; M449-H453 PolarHBondContact O-N 2.79Å |
| 450 | E | 73.9 | Confident | 65.2 | Low | 145 Ų | 145 | 118 Ų | 118 | 68% | 0.678 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.5 | -38.4 | 179.5 | -159.4 | 170.3 | -162.7 | 0 | 0 | 112 | D446 H453 C454 | D446-E450 WeakPolarHBondContact O-CB 3.27Å; D446-E450 PolarHBondContact O-N 3.31Å; D446-E450 VanDerWaalsContact O-N 3.1Å; E450-H453 PolarHBondContact O-N 3.08Å; E450-C454 WeakPolarHBondContact O-CB 3.24Å; E450-C454 PolarHBondContact O-N 3.19Å |
| 451 | L | 77.5 | Confident | 66.6 | Low | 121 Ų | 121 | 117 Ų | 117 | 63% | 0.634 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.7 | -43.5 | 172.1 | -90.4 | 164.7 | 0 | 0 | 0 | 112.5 | S447 H453 C454 L455 | S447-L451 PolarHBondContact O-N 3.15Å; S447-L451 VanDerWaalsContact O-N 3.12Å; L451-H453 VanDerWaalsContact C-N 3.34Å; L451-H453 PolarHBondContact O-N 2.93Å; L451-C454 PolarHBondContact O-N 3.45Å; L451-L455 WeakPolarHBondContact O-CB 3.28Å; L451-L455 PolarHBondContact O-N 2.84Å |
| 452 | L | 82.2 | Confident | 67.9 | Low | 103 Ų | 103 | 113 Ų | 113 | 54% | 0.539 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.8 | -39.2 | 176.2 | -106.7 | 166.2 | 0 | 0 | 0 | 112.2 | E448 M449 K456 | E448-L452 PolarHBondContact O-N 3.07Å; E448-L452 VanDerWaalsContact O-N 3.07Å; M449-L452 PolarHBondContact O-N 3.23Å; L452-K456 WeakPolarHBondContact O-CB 3.46Å; L452-K456 WeakPolarHBondContact O-CG 3.35Å; L452-K456 PolarHBondContact O-N 3.1Å |
| 453 | H | 80 | Confident | 69.1 | Low | 132 Ų | 132 | 111.3 Ų | 111.3 | 61% | 0.611 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.1 | -45.4 | 175.2 | -173.1 | -97.2 | 0 | 0 | 0 | 111.1 | M449 E450 L451 L455 K456 T457 | M449-H453 WeakPolarHBondContact O-CB 3.32Å; M449-H453 PolarHBondContact O-N 2.79Å; E450-H453 PolarHBondContact O-N 3.08Å; L451-H453 VanDerWaalsContact C-N 3.34Å; L451-H453 PolarHBondContact O-N 2.93Å; H453-L455 PolarHBondContact O-N 3.3Å; H453-K456 PolarHBondContact O-N 3.3Å; H453-T457 PolarHBondContact O-N 3.36Å; H453-T457 PolarHBondContact O-OG1 3.3Å |
| 454 | C | 78.1 | Confident | 68.9 | Low | 75 Ų | 75 | 113.5 Ų | 113.5 | 51% | 0.507 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.3 | -40.5 | 178.7 | -152.1 | 0 | 0 | 0 | 0 | 112.1 | E450 L451 T457 V458 | E450-C454 WeakPolarHBondContact O-CB 3.24Å; E450-C454 PolarHBondContact O-N 3.19Å; L451-C454 PolarHBondContact O-N 3.45Å; C454-T457 PolarHBondContact O-N 3.16Å; C454-V458 WeakPolarHBondContact O-CG2 3.44Å; C454-V458 PolarHBondContact O-N 3.14Å |
| 455 | L | 81 | Confident | 69 | Low | 109 Ų | 109 | 112.2 Ų | 112.2 | 57% | 0.571 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.4 | -35.8 | 177.7 | -145.3 | 146.6 | 0 | 0 | 0 | 111.9 | L451 H453 L459 | L451-L455 WeakPolarHBondContact O-CB 3.28Å; L451-L455 PolarHBondContact O-N 2.84Å; H453-L455 PolarHBondContact O-N 3.3Å; L455-L459 HydrophobicContact CD2-CD1 3.76Å; L455-L459 HydrophobicContact CD2-CG 4.26Å; L455-L459 WeakPolarHBondContact O-CB 3.4Å; L455-L459 VanDerWaalsContact O-CG 3.27Å; L455-L459 WeakPolarHBondContact O-CG 3.39Å; L455-L459 PolarHBondContact O-N 3.2Å; L455-L459 VanDerWaalsContact O-N 3.09Å |
| 456 | K | 83.6 | Confident | 68.8 | Low | 132 Ų | 132 | 115.5 Ų | 115.5 | 57% | 0.574 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.8 | -40.7 | 171.1 | -78 | 174.6 | -179.3 | 175.5 | 0 | 112.2 | L452 H453 L459 R460 | L452-K456 WeakPolarHBondContact O-CB 3.46Å; L452-K456 WeakPolarHBondContact O-CG 3.35Å; L452-K456 PolarHBondContact O-N 3.1Å; H453-K456 PolarHBondContact O-N 3.3Å; K456-L459 PolarHBondContact O-N 2.78Å; K456-R460 WeakPolarHBondContact O-CB 3.2Å; K456-R460 PolarHBondContact O-N 3.01Å |
| 457 | T | 80.7 | Confident | 68.3 | Low | 57 Ų | 57 | 113.2 Ų | 113.2 | 35% | 0.35 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.2 | -46.9 | 178.4 | -47.9 | 0 | 0 | 0 | 0 | 111.4 | H453 C454 L459 R460 E461 | H453-T457 PolarHBondContact O-N 3.36Å; H453-T457 PolarHBondContact O-OG1 3.3Å; C454-T457 PolarHBondContact O-N 3.16Å; T457-L459 VanDerWaalsContact C-N 3.33Å; T457-L459 PolarHBondContact O-N 3.45Å; T457-R460 WeakPolarHBondContact O-CB 3.31Å; T457-R460 PolarHBondContact O-N 3.35Å; T457-R460 VanDerWaalsContact O-N 3.08Å; T457-E461 WeakPolarHBondContact O-CG 3.34Å; T457-E461 PolarHBondContact O-N 3.31Å |
| 458 | V | 78.3 | Confident | 67.5 | Low | 87 Ų | 87 | 116.2 Ų | 116.2 | 53% | 0.527 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -62.7 | -38.8 | 178.2 | 174.1 | 0 | 0 | 0 | 0 | 112 | C454 R460 E461 A462 | C454-V458 WeakPolarHBondContact O-CG2 3.44Å; C454-V458 PolarHBondContact O-N 3.14Å; V458-R460 VanDerWaalsContact C-N 3.32Å; V458-R460 PolarHBondContact O-N 3.14Å; V458-E461 PolarHBondContact O-N 2.68Å; V458-A462 WeakPolarHBondContact O-CB 3.46Å; V458-A462 PolarHBondContact O-N 3.43Å |
| 459 | L | 76.4 | Confident | 66.2 | Low | 110 Ų | 110 | 116 Ų | 116 | 58% | 0.576 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -68.4 | -31 | 175.3 | -72.3 | 174 | 0 | 0 | 0 | 112.7 | L455 K456 T457 S463 | L455-L459 HydrophobicContact CD2-CD1 3.76Å; L455-L459 HydrophobicContact CD2-CG 4.26Å; L455-L459 WeakPolarHBondContact O-CB 3.4Å; L455-L459 VanDerWaalsContact O-CG 3.27Å; L455-L459 WeakPolarHBondContact O-CG 3.39Å; L455-L459 PolarHBondContact O-N 3.2Å; L455-L459 VanDerWaalsContact O-N 3.09Å; K456-L459 PolarHBondContact O-N 2.78Å; T457-L459 VanDerWaalsContact C-N 3.33Å; T457-L459 PolarHBondContact O-N 3.45Å; L459-S463 WeakPolarHBondContact O-CB 3.38Å; L459-S463 PolarHBondContact O-N 2.87Å |
| 460 | R | 73.1 | Confident | 65.4 | Low | 196 Ų | 196 | 112.7 Ų | 112.7 | 74% | 0.74 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -72.9 | -34.6 | 176.4 | -151.7 | 174.9 | -166.7 | 179.8 | 2.3 | 112.1 | K456 T457 V458 | K456-R460 WeakPolarHBondContact O-CB 3.2Å; K456-R460 PolarHBondContact O-N 3.01Å; T457-R460 WeakPolarHBondContact O-CB 3.31Å; T457-R460 PolarHBondContact O-N 3.35Å; T457-R460 VanDerWaalsContact O-N 3.08Å; V458-R460 VanDerWaalsContact C-N 3.32Å; V458-R460 PolarHBondContact O-N 3.14Å |
| 461 | E | 67.7 | Low | 64.3 | Low | 145 Ų | 145 | 110.9 Ų | 110.9 | 68% | 0.678 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -76.5 | -32.3 | 175.8 | -69.9 | 176.4 | -179.9 | 0 | 0 | 112.9 | T457 V458 | T457-E461 WeakPolarHBondContact O-CG 3.34Å; T457-E461 PolarHBondContact O-N 3.31Å; V458-E461 PolarHBondContact O-N 2.68Å |
| 462 | A | 62.4 | Low | 62.7 | Low | 80 Ų | 80 | 112 Ų | 112 | 66% | 0.661 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -77.7 | -21.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V458 | V458-A462 WeakPolarHBondContact O-CB 3.46Å; V458-A462 PolarHBondContact O-N 3.43Å |
| 463 | S | 58.6 | Low | 60.9 | Low | 64 Ų | 64 | 115.5 Ų | 115.5 | 45% | 0.448 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -95.9 | 89 | 174.9 | 168.8 | 0 | 0 | 0 | 0 | 108.9 | L459 C465 | L459-S463 WeakPolarHBondContact O-CB 3.38Å; L459-S463 PolarHBondContact O-N 2.87Å; S463-C465 PolarHBondContact O-N 3.34Å |
| 464 | C | 41.6 | Very low | 59.1 | Low | 129 Ų | 129 | 121.5 Ų | 121.5 | 87% | 0.872 | 71% | 0.707 | S | S | * | * | trans | -63.4 | 43.3 | 176.4 | -55.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 465 | C | 48.2 | Very low | 58.1 | Low | 100 Ų | 100 | 123.8 Ų | 123.8 | 68% | 0.676 | 72% | 0.717 | S | S | * | * | trans | -130.1 | 103.9 | 180 | -62.7 | 0 | 0 | 0 | 0 | 107.4 | S463 A467 | S463-C465 PolarHBondContact O-N 3.34Å; C465-A467 PolarHBondContact O-N 3.15Å | ||
| 466 | E | 44.1 | Very low | 56.9 | Low | 202 Ų | 202 | 124.6 Ų | 124.6 | 94% | 0.944 | 73% | 0.725 | S | S | * | * | trans | -62 | 100.8 | 165 | -71.4 | -170.4 | 141.6 | 0 | 0 | 108.4 | ||||
| 467 | A | 45.7 | Very low | 55.4 | Low | 77 Ų | 77 | 124.2 Ų | 124.2 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | trans | -74.2 | 132.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | C465 | C465-A467 PolarHBondContact O-N 3.15Š| ||
| 468 | P | 43.2 | Very low | 54 | Low | 113 Ų | 113 | 128.1 Ų | 128.1 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | trans | -59.1 | 142.2 | 179.4 | 23.4 | -32.2 | 0 | 0 | 0 | 111 | G470 | P468-G470 PolarHBondContact O-N 3.33Å; P468-G470 VanDerWaalsContact O-N 3.11Å | ||
| 469 | A | 42.1 | Very low | 52.4 | Low | 114 Ų | 114 | 130.7 Ų | 130.7 | 94% | 0.942 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.4 | 115 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 470 | G | 55.3 | Low | 50.8 | Low | 76 Ų | 76 | 132.1 Ų | 132.1 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 137.1 | 9.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | P468 | P468-G470 PolarHBondContact O-N 3.33Å; P468-G470 VanDerWaalsContact O-N 3.11Å |
| 471 | S | 50.7 | Low | 49.2 | Very low | 107 Ų | 107 | 127.5 Ų | 127.5 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -134.5 | 77.7 | 179.3 | -67.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 472 | L | 44.7 | Very low | 47.8 | Very low | 143 Ų | 143 | 126.2 Ų | 126.2 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | trans | -158.6 | 68.6 | 167.4 | -125.2 | 165.6 | 0 | 0 | 0 | 110.5 | ||||
| 473 | L | 42.9 | Very low | 46.6 | Very low | 178 Ų | 178 | 130 Ų | 130 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | trans | -160.1 | 77.4 | 165.2 | -110.6 | 163.5 | 0 | 0 | 0 | 108.4 | ||||
| 474 | Q | 42.2 | Very low | 45.5 | Very low | 257 Ų | 257 | 136 Ų | 136 | 100% | 1.201 | 84% | 0.838 | S | S | * | * | trans | -162.3 | 0 | 155.2 | -143.8 | 171.1 | 7 | 0 | 0 | 110.5 |
Retrieved 474 of 474 residues in 303.3 ms
(Link to these results)