| 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 | 39.8 | Very low | 31.7 | Very low | 253 Ų | 253 | 157.1 Ų | 157.1 | 100% | 1.246 | 84% | 0.835 | S | S | * | * | 0 | 126.4 | 0 | -70.3 | 169.7 | 172.7 | 0 | 0 | 107.3 | |||||
| 2 | A | 32.9 | Very low | 31.4 | Very low | 108 Ų | 108 | 153.4 Ų | 153.4 | 89% | 0.893 | 83% | 0.831 | S | S | * | * | trans | -146.9 | 159.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 3 | A | 33.1 | Very low | 31.5 | Very low | 88 Ų | 88 | 148.5 Ų | 148.5 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | -67 | 154.2 | -157 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 4 | R | 32.6 | Very low | 31.6 | Very low | 227 Ų | 227 | 148.6 Ų | 148.6 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | 88 | 142.4 | 130.5 | -94 | 178.8 | 176.4 | -166.6 | -1.6 | 122.7 | ||||
| 5 | L | 30.3 | Very low | 31.6 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 76% | 0.764 | 81% | 0.806 | S | S | * | * | trans | 75 | 104.1 | 144.8 | -73.8 | 162.1 | 0 | 0 | 0 | 120.5 | ||||
| 6 | Q | 31.3 | Very low | 31.7 | Very low | 183 Ų | 183 | 148.2 Ų | 148.2 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -123.4 | 122.9 | 131.8 | -73.3 | 176.3 | -20.5 | 0 | 0 | 105.2 | ||||
| 7 | S | 29 | Very low | 31.4 | Very low | 101 Ų | 101 | 146.9 Ų | 146.9 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | 76.1 | 91.3 | 55 | 77.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 8 | Y | 31.8 | Very low | 31.3 | Very low | 234 Ų | 234 | 152.4 Ų | 152.4 | 92% | 0.918 | 81% | 0.807 | S | S | * | * | trans | -96.5 | 122.3 | 167.2 | -103.2 | -91.1 | 0 | 0 | 0 | 109 | ||||
| 9 | D | 29.3 | Very low | 31.3 | Very low | 151 Ų | 151 | 151.1 Ų | 151.1 | 81% | 0.807 | 80% | 0.796 | S | S | * | * | trans | -169.5 | 153 | 169.4 | -98 | -43.3 | 0 | 0 | 0 | 107.6 | ||||
| 10 | S | 31 | Very low | 31.1 | Very low | 87 Ų | 87 | 153.7 Ų | 153.7 | 61% | 0.608 | 80% | 0.795 | S | S | * | * | cis | -168.6 | 147.4 | -26.6 | -112.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 11 | N | 27.6 | Very low | 31.1 | Very low | 150 Ų | 150 | 154.3 Ų | 154.3 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | 63.5 | 163.8 | 154.1 | -71.1 | -21.7 | 0 | 0 | 0 | 123.2 | ||||
| 12 | S | 28.6 | Very low | 30.8 | Very low | 113 Ų | 113 | 148.5 Ų | 148.5 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | 76.2 | 140.3 | 160.8 | -67.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 13 | S | 32.6 | Very low | 31.2 | Very low | 90 Ų | 90 | 148.8 Ų | 148.8 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | cis | -173.3 | 141.2 | -12.3 | 46 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 14 | D | 32.3 | Very low | 30.9 | Very low | 150 Ų | 150 | 151.9 Ų | 151.9 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | 50 | 158.5 | 144.4 | -48.7 | -40.6 | 0 | 0 | 0 | 119.7 | ||||
| 15 | T | 32.1 | Very low | 31 | Very low | 112 Ų | 112 | 151.8 Ų | 151.8 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | cis | -161.2 | 146.2 | 40.4 | 44.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 16 | E | 32.8 | Very low | 31.2 | Very low | 178 Ų | 178 | 150.2 Ų | 150.2 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | 61.5 | 162.4 | 143.7 | -61.2 | 178.8 | 131.2 | 0 | 0 | 119.3 | ||||
| 17 | N | 27.1 | Very low | 31.2 | Very low | 127 Ų | 127 | 153.5 Ų | 153.5 | 68% | 0.679 | 78% | 0.776 | S | S | * | * | cis | -143.5 | 155.4 | 3 | -161.4 | -18.7 | 0 | 0 | 0 | 110.2 | ||||
| 18 | W | 29.5 | Very low | 31.3 | Very low | 245 Ų | 245 | 158.2 Ų | 158.2 | 93% | 0.928 | 78% | 0.784 | S | S | * | * | trans | -129.6 | 117.8 | 171.3 | -92.8 | 102.3 | 0 | 0 | 0 | 111.3 | ||||
| 19 | E | 30.2 | Very low | 31.1 | Very low | 127 Ų | 127 | 154.8 Ų | 154.8 | 59% | 0.593 | 78% | 0.781 | S | S | * | * | trans | -117 | 148.3 | 176.7 | -96 | -84.9 | 52.4 | 0 | 0 | 113 | ||||
| 20 | R | 28.3 | Very low | 31 | Very low | 204 Ų | 204 | 153.3 Ų | 153.3 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -51.8 | 149.3 | -173.4 | -66.9 | 157.6 | -81.8 | -159.3 | -6.5 | 115.6 | ||||
| 21 | I | 30.4 | Very low | 30.8 | Very low | 166 Ų | 166 | 158.3 Ų | 158.3 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -155.3 | 142.4 | 132.6 | -99.9 | 144.9 | 0 | 0 | 0 | 110.5 | ||||
| 22 | T | 33.1 | Very low | 30.8 | Very low | 132 Ų | 132 | 160.3 Ų | 160.3 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | -131.9 | 154.7 | 160.4 | 63 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 23 | P | 41.7 | Very low | 30.8 | Very low | 114 Ų | 114 | 160.3 Ų | 160.3 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | -154 | 124.6 | 114.2 | 34 | -14.3 | 0 | 0 | 0 | 117 | |||||
| 24 | N | 28.1 | Very low | 30.6 | Very low | 153 Ų | 153 | 162.2 Ų | 162.2 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | 55.5 | 147.7 | 119.5 | -135.5 | -21.2 | 0 | 0 | 0 | 123.8 | |||||
| 25 | R | 33.4 | Very low | 30.5 | Very low | 225 Ų | 225 | 160.6 Ų | 160.6 | 85% | 0.849 | 81% | 0.81 | S | S | * | * | trans | 74.9 | 154.4 | 168.2 | -69 | -174.1 | 164.9 | -166.5 | -2.7 | 119.4 | ||||
| 26 | P | 35.7 | Very low | 30.4 | Very low | 113 Ų | 113 | 164.5 Ų | 164.5 | 73% | 0.734 | 82% | 0.82 | S | S | * | * | cis | -135.9 | 150.7 | -39.8 | 37.3 | -21.6 | 0 | 0 | 0 | 114 | ||||
| 27 | R | 31.5 | Very low | 30.2 | Very low | 252 Ų | 252 | 160.3 Ų | 160.3 | 95% | 0.951 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 136.3 | 168.9 | -74.8 | 178.3 | 170.1 | 159.5 | -3.9 | 111.2 | ||
| 28 | K | 30.2 | Very low | 30.4 | Very low | 199 Ų | 199 | 165.7 Ų | 165.7 | 87% | 0.865 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 136.7 | 162.8 | -83 | -172.8 | 176 | 179.5 | 0 | 110.3 | ||
| 29 | L | 28 | Very low | 30.3 | Very low | 162 Ų | 162 | 159.1 Ų | 159.1 | 85% | 0.848 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 132.3 | 169.7 | -134.2 | 77.3 | 0 | 0 | 0 | 108.9 | ||
| 30 | C | 27.1 | Very low | 30.4 | Very low | 121 Ų | 121 | 159 Ų | 159 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | trans | -117.5 | 135.1 | 161.6 | -80.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 31 | K | 27.7 | Very low | 30.5 | Very low | 191 Ų | 191 | 160.7 Ų | 160.7 | 83% | 0.83 | 84% | 0.844 | S | S | * | * | trans | -87.2 | 140.7 | -178.1 | -65.2 | 176.3 | 177.2 | 179.3 | 0 | 109.7 | ||||
| 32 | H | 27.1 | Very low | 30.5 | Very low | 192 Ų | 192 | 158.9 Ų | 158.9 | 89% | 0.889 | 84% | 0.841 | S | S | * | * | trans | -73.3 | 135.5 | 159.4 | -65.3 | -87 | 0 | 0 | 0 | 109.1 | ||||
| 33 | S | 28.8 | Very low | 30.3 | Very low | 114 Ų | 114 | 161 Ų | 161 | 80% | 0.797 | 84% | 0.842 | S | S | * | * | trans | -116.5 | 125.7 | 170.5 | -68.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 34 | S | 28.4 | Very low | 29.7 | Very low | 129 Ų | 129 | 159.8 Ų | 159.8 | 90% | 0.902 | 84% | 0.841 | S | S | * | * | trans | -84.4 | 139 | -177.8 | -48.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 35 | S | 29.2 | Very low | 29.7 | Very low | 116 Ų | 116 | 160.5 Ų | 160.5 | 81% | 0.811 | 84% | 0.84 | S | S | * | * | trans | -143.8 | 133.4 | 165.7 | 53.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 36 | Q | 30.3 | Very low | 29.5 | Very low | 194 Ų | 194 | 159.3 Ų | 159.3 | 91% | 0.907 | 84% | 0.844 | S | S | * | * | trans | -92.7 | -174.1 | 179.7 | -66.5 | -180 | -23.5 | 0 | 0 | 111.8 | ||||
| 37 | A | 29.4 | Very low | 29.4 | Very low | 90 Ų | 90 | 164.8 Ų | 164.8 | 74% | 0.744 | 85% | 0.85 | S | S | * | * | trans | 79.2 | 143.4 | 175 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 38 | R | 29.5 | Very low | 29.3 | Very low | 240 Ų | 240 | 160.2 Ų | 160.2 | 91% | 0.906 | 84% | 0.844 | S | S | * | * | cis | -154.5 | 141.9 | -3.5 | -124.2 | 166.5 | -171.6 | 170.6 | 0.5 | 108.3 | ||||
| 39 | A | 28.9 | Very low | 29.3 | Very low | 108 Ų | 108 | 159.5 Ų | 159.5 | 89% | 0.893 | 85% | 0.846 | S | S | * | * | trans | -94.5 | 134.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 40 | S | 31.9 | Very low | 29.4 | Very low | 124 Ų | 124 | 155.7 Ų | 155.7 | 87% | 0.867 | 83% | 0.833 | S | S | * | * | trans | -120.1 | 148.8 | 174.3 | 45 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 41 | R | 30.7 | Very low | 29.8 | Very low | 239 Ų | 239 | 158 Ų | 158 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | trans | -138.4 | 126.1 | -169.1 | -175.3 | -170.9 | -171 | -151 | 4.8 | 110.3 | ||||
| 42 | V | 30.2 | Very low | 30 | Very low | 128 Ų | 128 | 157.9 Ų | 157.9 | 78% | 0.776 | 84% | 0.838 | S | S | * | * | trans | -148.3 | 117.9 | 170.9 | -161.9 | 0 | 0 | 0 | 0 | 103.2 | ||||
| 43 | E | 29.3 | Very low | 30.1 | Very low | 177 Ų | 177 | 152.5 Ų | 152.5 | 83% | 0.827 | 83% | 0.834 | S | S | * | * | 62.5 | 133 | 70.2 | -73.3 | -171.9 | 169.9 | 0 | 0 | 113.1 | |||||
| 44 | A | 28.9 | Very low | 30.2 | Very low | 88 Ų | 88 | 151.5 Ų | 151.5 | 73% | 0.727 | 83% | 0.833 | S | S | * | * | cis | -158.2 | -155.9 | -6.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 45 | E | 28.5 | Very low | 30.3 | Very low | 169 Ų | 169 | 151.5 Ų | 151.5 | 79% | 0.79 | 83% | 0.833 | S | S | * | * | trans | 82 | 96.9 | 170.8 | -55.7 | -145 | 135.2 | 0 | 0 | 119.9 | ||||
| 46 | Q | 29.3 | Very low | 30.3 | Very low | 200 Ų | 200 | 150.1 Ų | 150.1 | 94% | 0.935 | 84% | 0.837 | S | S | * | * | trans | -129.9 | 149.8 | 133.7 | -76 | -167.9 | -5.4 | 0 | 0 | 109 | ||||
| 47 | R | 32.6 | Very low | 30.2 | Very low | 228 Ų | 228 | 144 Ų | 144 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | trans | -90.9 | 141.1 | -167.4 | -68.7 | 179.4 | 177.3 | 168.9 | -0.4 | 113.1 | ||||
| 48 | N | 29.9 | Very low | 30.3 | Very low | 155 Ų | 155 | 145.9 Ų | 145.9 | 83% | 0.829 | 83% | 0.833 | S | S | * | * | trans | -66.7 | 144.9 | 167.1 | -84.4 | -37.9 | 0 | 0 | 0 | 111.8 | ||||
| 49 | M | 29.6 | Very low | 30.3 | Very low | 184 Ų | 184 | 140 Ų | 140 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | trans | -131.3 | 130.1 | 144.7 | -78.8 | -64 | -71.2 | 0 | 0 | 107.4 | ||||
| 50 | S | 31.1 | Very low | 30.3 | Very low | 82 Ų | 82 | 144.5 Ų | 144.5 | 57% | 0.573 | 81% | 0.813 | S | S | * | * | trans | -142 | 138.2 | -177.8 | 178.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 51 | L | 34 | Very low | 30.3 | Very low | 171 Ų | 171 | 143.8 Ų | 143.8 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | trans | -140.1 | 136 | 165.6 | -78.7 | 174 | 0 | 0 | 0 | 108.6 | ||||
| 52 | H | 33.4 | Very low | 30.4 | Very low | 188 Ų | 188 | 143.4 Ų | 143.4 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | trans | -125.6 | 149.6 | -177.6 | -85 | -45 | 0 | 0 | 0 | 111.3 | ||||
| 53 | G | 28.5 | Very low | 30.6 | Very low | 78 Ų | 78 | 144.1 Ų | 144.1 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | 141 | 141 | 165.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 54 | A | 30.7 | Very low | 30.7 | Very low | 94 Ų | 94 | 147.7 Ų | 147.7 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | cis | -159.4 | 148.8 | -10.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 55 | S | 31 | Very low | 31 | Very low | 129 Ų | 129 | 154.7 Ų | 154.7 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | 42.8 | 125.8 | 144.2 | -55.5 | 0 | 0 | 0 | 0 | 124 | ||||
| 56 | G | 28.4 | Very low | 31.1 | Very low | 86 Ų | 86 | 158.4 Ų | 158.4 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | trans | 117.7 | 139.9 | 151.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 57 | G | 28.4 | Very low | 31.3 | Very low | 66 Ų | 66 | 154.2 Ų | 154.2 | 68% | 0.68 | 82% | 0.819 | S | S | * | * | cis | 169.7 | 142.4 | -9.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 58 | C | 30.7 | Very low | 31.3 | Very low | 130 Ų | 130 | 148.8 Ų | 148.8 | 88% | 0.878 | 82% | 0.816 | S | S | * | * | trans | 57.7 | 162.4 | 173.7 | 82.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 59 | D | 29.5 | Very low | 31.5 | Very low | 116 Ų | 116 | 148.4 Ų | 148.4 | 62% | 0.62 | 81% | 0.814 | S | S | * | * | cis | -142.5 | 176.9 | -3.8 | -150.8 | 2.4 | 0 | 0 | 0 | 114.4 | ||||
| 60 | R | 30.5 | Very low | 31.7 | Very low | 202 Ų | 202 | 150.8 Ų | 150.8 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | trans | -64.6 | 155.3 | -167.9 | -40.9 | 116.6 | 176.7 | 149.5 | -8.6 | 116.8 | ||||
| 61 | S | 30.3 | Very low | 31.8 | Very low | 110 Ų | 110 | 152.4 Ų | 152.4 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | 176.3 | 120.4 | 101.1 | -79.1 | 0 | 0 | 0 | 0 | 118 | |||||
| 62 | R | 33.7 | Very low | 31.8 | Very low | 231 Ų | 231 | 156.2 Ų | 156.2 | 87% | 0.872 | 83% | 0.827 | S | S | * | * | trans | 39.4 | 119.7 | 136.6 | -71.3 | 177.7 | 170.4 | 158 | -2.4 | 122.5 | ||||
| 63 | D | 33.8 | Very low | 31.6 | Very low | 142 Ų | 142 | 154.7 Ų | 154.7 | 76% | 0.759 | 83% | 0.825 | S | S | * | * | trans | 15 | 131.2 | 130.1 | -62.1 | -88.4 | 0 | 0 | 0 | 121 | ||||
| 64 | R | 32.4 | Very low | 31.6 | Very low | 252 Ų | 252 | 155.8 Ų | 155.8 | 95% | 0.951 | 82% | 0.821 | S | S | * | * | -156.3 | 134.9 | 118.5 | -112.1 | 162.2 | -170.3 | -174.5 | 2.6 | 113.9 | |||||
| 65 | R | 34.6 | Very low | 31.7 | Very low | 235 Ų | 235 | 156.9 Ų | 156.9 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | trans | -73.7 | 145.9 | 173.9 | -53.5 | 172.8 | -179.3 | -173.9 | -2 | 111.1 | ||||
| 66 | R | 31.3 | Very low | 31.8 | Very low | 247 Ų | 247 | 159.1 Ų | 159.1 | 93% | 0.932 | 82% | 0.818 | S | S | * | * | -165.5 | 146.5 | 123.7 | -109.6 | 171.4 | -176.1 | -165.5 | -1 | 111.6 | |||||
| 67 | S | 32.2 | Very low | 31.9 | Very low | 113 Ų | 113 | 163.5 Ų | 163.5 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -121.9 | 135.3 | 174.1 | -173 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 68 | S | 33.1 | Very low | 32.1 | Very low | 113 Ų | 113 | 171.1 Ų | 171.1 | 79% | 0.79 | 82% | 0.824 | S | S | * | * | trans | -157.6 | 101.3 | 171.2 | -60 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 69 | D | 34 | Very low | 32.2 | Very low | 147 Ų | 147 | 174.2 Ų | 174.2 | 79% | 0.786 | 83% | 0.826 | S | S | * | * | cis | 76.1 | 145.3 | 49.7 | -158.5 | 12.6 | 0 | 0 | 0 | 113.3 | ||||
| 70 | R | 33.4 | Very low | 32.4 | Very low | 234 Ų | 234 | 171.6 Ų | 171.6 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | trans | 78 | 135.3 | -156.9 | -54 | 174.7 | -177.1 | -166.7 | -1.3 | 114.1 | ||||
| 71 | S | 32.9 | Very low | 32.6 | Very low | 117 Ų | 117 | 171 Ų | 171 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | cis | -157.5 | 146.6 | -10.4 | 40.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 72 | R | 34.7 | Very low | 32.8 | Very low | 250 Ų | 250 | 174.1 Ų | 174.1 | 94% | 0.943 | 84% | 0.838 | S | S | * | * | trans | -93.3 | 146.1 | 173.8 | -80.3 | 173.1 | 159.9 | 159.5 | -9 | 111.3 | ||||
| 73 | D | 28.8 | Very low | 33.1 | Very low | 157 Ų | 157 | 168.8 Ų | 168.8 | 84% | 0.84 | 83% | 0.832 | S | S | * | * | trans | -148 | 100.3 | 149.3 | -150.5 | 22.4 | 0 | 0 | 0 | 105.5 | ||||
| 74 | S | 29.8 | Very low | 33.3 | Very low | 101 Ų | 101 | 167.9 Ų | 167.9 | 71% | 0.706 | 83% | 0.834 | S | S | * | * | 78.5 | 93.6 | 81.5 | -158.9 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 75 | S | 32.7 | Very low | 33.4 | Very low | 117 Ų | 117 | 161.2 Ų | 161.2 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -133 | 135.3 | 160.5 | 53.2 | 0 | 0 | 0 | 0 | 108.3 | E77 | S75-E77 PolarHBondContact O-N 2.99Š| ||
| 76 | H | 32 | Very low | 33.4 | Very low | 176 Ų | 176 | 157.5 Ų | 157.5 | 82% | 0.815 | 82% | 0.821 | S | S | * | * | trans | -87.5 | 107.9 | -166.7 | -119.1 | -52.3 | 0 | 0 | 0 | 112 | ||||
| 77 | E | 31.2 | Very low | 33.7 | Very low | 177 Ų | 177 | 156.6 Ų | 156.6 | 83% | 0.827 | 82% | 0.817 | S | S | * | * | trans | -60.5 | 137.4 | 157.6 | -70.1 | -85.1 | 100.9 | 0 | 0 | 109.7 | S75 | S75-E77 PolarHBondContact O-N 2.99Š| ||
| 78 | R | 33.5 | Very low | 33.6 | Very low | 227 Ų | 227 | 157.9 Ų | 157.9 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | -149.4 | 82.4 | 161.8 | -168.2 | -178 | -67.4 | -150 | 1.1 | 111.3 | ||||
| 79 | E | 31.6 | Very low | 33.6 | Very low | 195 Ų | 195 | 158.9 Ų | 158.9 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | trans | -60.6 | 139.5 | 160.7 | -169.1 | 175.9 | -158 | 0 | 0 | 109.9 | ||||
| 80 | G | 34 | Very low | 33.5 | Very low | 60 Ų | 60 | 158 Ų | 158 | 62% | 0.619 | 82% | 0.816 | S | S | * | * | trans | -152 | 115.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 81 | Q | 34.6 | Very low | 33.4 | Very low | 191 Ų | 191 | 152.2 Ų | 152.2 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | -62.7 | 136 | -173.6 | -63.7 | 166.6 | -9.1 | 0 | 0 | 112.8 | ||||
| 82 | L | 33.9 | Very low | 33.9 | Very low | 174 Ų | 174 | 152.7 Ų | 152.7 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | trans | -102.2 | 111 | 172.5 | -69.9 | 179.3 | 0 | 0 | 0 | 111.4 | ||||
| 83 | T | 41.6 | Very low | 33.8 | Very low | 119 Ų | 119 | 147.1 Ų | 147.1 | 73% | 0.73 | 81% | 0.806 | S | S | * | * | trans | -90.3 | 126.1 | 173.6 | -53.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 84 | P | 38 | Very low | 33.9 | Very low | 124 Ų | 124 | 150.8 Ų | 150.8 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | trans | -80.6 | 126.3 | 177.1 | 31.2 | -33 | 0 | 0 | 0 | 111.4 | ||||
| 85 | C | 34 | Very low | 34 | Very low | 111 Ų | 111 | 154.1 Ų | 154.1 | 75% | 0.75 | 81% | 0.813 | S | S | * | * | trans | -139.8 | 90.7 | 174.4 | 56.8 | 0 | 0 | 0 | 0 | 112.9 | R87 | C85-R87 PolarHBondContact O-N 2.93Š| ||
| 86 | I | 34.9 | Very low | 34 | Very low | 158 Ų | 158 | 157.3 Ų | 157.3 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | -68.8 | 126.5 | 166.6 | -62.8 | 172.5 | 0 | 0 | 0 | 108.5 | N88 | I86-N88 WeakPolarHBondContact CG2-OD1 3.21Š| ||
| 87 | R | 35.9 | Very low | 33.9 | Very low | 228 Ų | 228 | 155.5 Ų | 155.5 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -112.6 | 96.8 | 170.6 | -84.4 | -176.2 | 167.6 | 157.9 | -2.7 | 110.5 | C85 | C85-R87 PolarHBondContact O-N 2.93Š| ||
| 88 | N | 31.4 | Very low | 33.9 | Very low | 140 Ų | 140 | 151.2 Ų | 151.2 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | trans | -75.6 | 132.6 | 161.4 | -72.9 | 19.4 | 0 | 0 | 0 | 108.7 | I86 | I86-N88 WeakPolarHBondContact CG2-OD1 3.21Š| ||
| 89 | V | 33 | Very low | 33.7 | Very low | 133 Ų | 133 | 147.2 Ų | 147.2 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | -103.4 | 114.2 | 176.7 | -176.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 90 | T | 31 | Very low | 34 | Very low | 129 Ų | 129 | 148.5 Ų | 148.5 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -121.5 | 113.5 | 173.8 | 49.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 91 | S | 31.6 | Very low | 34 | Very low | 112 Ų | 112 | 153.1 Ų | 153.1 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 147.2 | 174.8 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | ||
| 92 | P | 43.8 | Very low | 34.1 | Very low | 127 Ų | 127 | 153.6 Ų | 153.6 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 157.4 | -177 | 33.1 | -35.8 | 0 | 0 | 0 | 114 | ||
| 93 | T | 31.7 | Very low | 34 | Very low | 133 Ų | 133 | 151.7 Ų | 151.7 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 144.8 | 177.1 | -45.8 | 0 | 0 | 0 | 0 | 114 | ||
| 94 | R | 31 | Very low | 33.4 | Very low | 234 Ų | 234 | 149.3 Ų | 149.3 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -114.9 | 128.5 | 155.8 | -170.6 | 177.2 | -178.7 | -164.9 | -0.8 | 109.9 | ||||
| 95 | Q | 32 | Very low | 33.9 | Very low | 172 Ų | 172 | 149.6 Ų | 149.6 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -82 | 152 | 175.8 | -65 | 166.7 | -32.1 | 0 | 0 | 111 | ||||
| 96 | H | 33 | Very low | 33.8 | Very low | 183 Ų | 183 | 149.6 Ų | 149.6 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | trans | -144.2 | 164.7 | 150.8 | -144.4 | -96.9 | 0 | 0 | 0 | 111.3 | ||||
| 97 | N | 30.4 | Very low | 33.7 | Very low | 139 Ų | 139 | 147.2 Ų | 147.2 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | trans | -98.1 | 156.4 | -155.8 | -125.7 | 7.2 | 0 | 0 | 0 | 115.5 | ||||
| 98 | S | 30.2 | Very low | 33.5 | Very low | 86 Ų | 86 | 147.4 Ų | 147.4 | 60% | 0.601 | 79% | 0.787 | S | S | * | * | trans | -4.2 | 135.3 | 155.5 | 58.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 99 | D | 31 | Very low | 33.9 | Very low | 144 Ų | 144 | 146.5 Ų | 146.5 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | -155.5 | 129.5 | 115.8 | -92.4 | -40 | 0 | 0 | 0 | 107.4 | |||||
| 100 | R | 37.4 | Very low | 33.7 | Very low | 222 Ų | 222 | 145.1 Ų | 145.1 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | 72.8 | 91.3 | 72.6 | -83.3 | -169.1 | 166.9 | -164.7 | -0.7 | 115 | |||||
| 101 | D | 33.5 | Very low | 33.8 | Very low | 157 Ų | 157 | 144.6 Ų | 144.6 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | 169.6 | 171.8 | 131.4 | -90 | -22.3 | 0 | 0 | 0 | 108.9 | ||||
| 102 | R | 36.2 | Very low | 34.4 | Very low | 200 Ų | 200 | 145.5 Ų | 145.5 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | -159.2 | 158.5 | -57.3 | -161 | -166.2 | 151.9 | 145.9 | -0.4 | 107 | |||||
| 103 | D | 32.2 | Very low | 34 | Very low | 135 Ų | 135 | 148.4 Ų | 148.4 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | 68.6 | 155.7 | 165.6 | -52.4 | -44.5 | 0 | 0 | 0 | 118.4 | ||||
| 104 | G | 28.4 | Very low | 34.4 | Very low | 69 Ų | 69 | 148 Ų | 148 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | -141.9 | -147.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 105 | P | 49.2 | Very low | 34.4 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 84% | 0.844 | 77% | 0.771 | S | S | * | * | cis | -133.5 | -135.8 | 1.5 | 42.7 | -22.9 | 0 | 0 | 0 | 111.7 | ||||
| 106 | S | 31.7 | Very low | 34.3 | Very low | 111 Ų | 111 | 145.8 Ų | 145.8 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | 80.9 | 139.2 | 171.8 | -133 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 107 | S | 32.5 | Very low | 34 | Very low | 107 Ų | 107 | 143.8 Ų | 143.8 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | cis | -158.9 | 160.7 | -9.3 | 29.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 108 | R | 32.4 | Very low | 34.1 | Very low | 232 Ų | 232 | 141.7 Ų | 141.7 | 88% | 0.875 | 77% | 0.771 | S | S | * | * | trans | -99.6 | 152.5 | 165.7 | -66.5 | -179.1 | 174.6 | -176.6 | -1.2 | 110.3 | ||||
| 109 | P | 39 | Very low | 34.8 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | -129.9 | 148.6 | 94.5 | 6.2 | 16.6 | 0 | 0 | 0 | 112.2 | |||||
| 110 | S | 29.3 | Very low | 34.7 | Very low | 103 Ų | 103 | 143 Ų | 143 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | 86.1 | 99 | 59.1 | -56.4 | 0 | 0 | 0 | 0 | 115 | |||||
| 111 | S | 32.5 | Very low | 34.2 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | 23.3 | 140.8 | 132.4 | -65.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 112 | P | 44.2 | Very low | 34.2 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | -146.7 | 174.9 | 69.3 | 40.7 | -22.6 | 0 | 0 | 0 | 118.8 | |||||
| 113 | R | 37.1 | Very low | 34 | Very low | 187 Ų | 187 | 129.1 Ų | 129.1 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | -120.1 | 146.8 | 178.8 | 171.8 | -164.9 | -170.2 | -141.5 | 4.9 | 108.8 | Q115 | R113-Q115 VanDerWaalsContact CZ-CD 3.41Å; R113-Q115 VanDerWaalsContact CZ-CG 3.47Å; R113-Q115 VanDerWaalsContact CZ-OE1 3.25Å | ||
| 114 | P | 39.3 | Very low | 33.9 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -108.7 | 157.3 | 156.3 | 8 | 12.6 | 0 | 0 | 0 | 112.5 | ||||
| 115 | Q | 29.8 | Very low | 34.2 | Very low | 131 Ų | 131 | 131 Ų | 131 | 61% | 0.612 | 79% | 0.791 | S | S | * | * | trans | -124.7 | 140.9 | 166.1 | -77.2 | -165.4 | -105.9 | 0 | 0 | 111.2 | R113 | R113-Q115 VanDerWaalsContact CZ-CD 3.41Å; R113-Q115 VanDerWaalsContact CZ-CG 3.47Å; R113-Q115 VanDerWaalsContact CZ-OE1 3.25Å | ||
| 116 | R | 31.1 | Very low | 33.2 | Very low | 228 Ų | 228 | 127.8 Ų | 127.8 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | 15.6 | 118.2 | 139.2 | -170.7 | -171.5 | -144.8 | -114.5 | 4.1 | 117.5 | ||||
| 117 | V | 27.4 | Very low | 33.3 | Very low | 142 Ų | 142 | 129.1 Ų | 129.1 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | -140.6 | 153 | 147.5 | -103.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 118 | S | 32 | Very low | 33.3 | Very low | 94 Ų | 94 | 130.4 Ų | 130.4 | 66% | 0.657 | 79% | 0.788 | S | S | * | * | trans | -130.9 | 156.1 | 167.9 | -53 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 119 | P | 44.6 | Very low | 33.2 | Very low | 130 Ų | 130 | 124.7 Ų | 124.7 | 84% | 0.844 | 78% | 0.784 | S | S | * | * | trans | -135.7 | 174.2 | 138.6 | 36.5 | -24.3 | 0 | 0 | 0 | 113.1 | ||||
| 120 | S | 28.8 | Very low | 32.8 | Very low | 128 Ų | 128 | 124.8 Ų | 124.8 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | trans | -131.6 | 155.5 | -172.3 | -49.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 121 | G | 27.6 | Very low | 33.2 | Very low | 66 Ų | 66 | 130.9 Ų | 130.9 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | trans | 158.7 | 118 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 122 | S | 33.4 | Very low | 33.2 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | 81.6 | 129.9 | 63.3 | -68.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 123 | S | 30.9 | Very low | 32.6 | Very low | 101 Ų | 101 | 132.1 Ų | 132.1 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | cis | -165.8 | 167.8 | -3 | -86.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 124 | S | 31.3 | Very low | 32.5 | Very low | 123 Ų | 123 | 128.2 Ų | 128.2 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | 76.5 | 153.7 | 166.4 | 87.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 125 | S | 34.4 | Very low | 32.3 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | cis | -149.1 | 167.4 | 3.5 | 68.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 126 | G | 28.5 | Very low | 32.5 | Very low | 64 Ų | 64 | 130 Ų | 130 | 66% | 0.66 | 81% | 0.812 | S | S | * | * | trans | 105.3 | 77.8 | 148.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 127 | V | 32.4 | Very low | 32.7 | Very low | 139 Ų | 139 | 124.4 Ų | 124.4 | 84% | 0.842 | 81% | 0.808 | S | S | * | * | trans | 51.6 | 159.9 | 137.5 | -57.2 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 128 | V | 32.5 | Very low | 33.3 | Very low | 133 Ų | 133 | 122.3 Ų | 122.3 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | 66.4 | 103.4 | 167.2 | -60.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 129 | S | 31.4 | Very low | 33.8 | Very low | 113 Ų | 113 | 125.7 Ų | 125.7 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | 13.7 | 126.5 | 138.2 | -51.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 130 | S | 29.9 | Very low | 33.9 | Very low | 124 Ų | 124 | 121.9 Ų | 121.9 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | -170.7 | 158.8 | 105 | -81.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 131 | R | 38.6 | Very low | 35 | Very low | 230 Ų | 230 | 119.7 Ų | 119.7 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | trans | -100.5 | 141.8 | 168.3 | -66.7 | 174.6 | 172.7 | 168.6 | -4.1 | 109.4 | ||||
| 132 | N | 32.7 | Very low | 36.1 | Very low | 149 Ų | 149 | 122.4 Ų | 122.4 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | 166.4 | 139.6 | 122.6 | -85.1 | -6 | 0 | 0 | 0 | 111.7 | |||||
| 133 | S | 31.5 | Very low | 37 | Very low | 127 Ų | 127 | 122.8 Ų | 122.8 | 89% | 0.888 | 76% | 0.755 | S | S | * | * | trans | -155 | 94.1 | 164.7 | 57 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 134 | S | 33.8 | Very low | 37.3 | Very low | 106 Ų | 106 | 122.1 Ų | 122.1 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | trans | -130.9 | 123.6 | 179.8 | 51.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 135 | L | 36.5 | Very low | 38 | Very low | 172 Ų | 172 | 121.6 Ų | 121.6 | 90% | 0.901 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 150.6 | 179.9 | -71 | 165.1 | 0 | 0 | 0 | 111 | S137 | L135-S137 PolarHBondContact O-N 3.03Š|
| 136 | S | 33.6 | Very low | 38.4 | Very low | 120 Ų | 120 | 119 Ų | 119 | 84% | 0.839 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 123.4 | -171.6 | 50.3 | 0 | 0 | 0 | 0 | 114.5 | ||
| 137 | S | 34.5 | Very low | 39 | Very low | 111 Ų | 111 | 121.3 Ų | 121.3 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 160.7 | 157 | -62.9 | 0 | 0 | 0 | 0 | 110.4 | L135 | L135-S137 PolarHBondContact O-N 3.03Š|
| 138 | S | 41 | Very low | 40 | Very low | 98 Ų | 98 | 118.7 Ų | 118.7 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 134.9 | 170.3 | 35.5 | 0 | 0 | 0 | 0 | 111.5 | G140 | S138-G140 PolarHBondContact O-N 3.05Å; S138-G140 VanDerWaalsContact O-N 3.09Å |
| 139 | D | 42.2 | Very low | 41.2 | Very low | 165 Ų | 165 | 116.5 Ų | 116.5 | 88% | 0.882 | 73% | 0.725 | S | S | * | * | trans | -72.6 | 100.5 | -178.5 | -75.6 | -53.9 | 0 | 0 | 0 | 112.5 | ||||
| 140 | G | 45.8 | Very low | 43 | Very low | 50 Ų | 50 | 115.6 Ų | 115.6 | 52% | 0.515 | 71% | 0.709 | S | S | . | * | trans | -109.3 | 115.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | S138 F142 | S138-G140 PolarHBondContact O-N 3.05Å; S138-G140 VanDerWaalsContact O-N 3.09Å; G140-F142 PolarHBondContact O-N 3.18Å | ||
| 141 | T | 53.6 | Low | 45.5 | Very low | 82 Ų | 82 | 110.9 Ų | 110.9 | 50% | 0.503 | 68% | 0.675 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73 | 103.1 | -177.4 | -60 | 0 | 0 | 0 | 0 | 110.6 | ||
| 142 | F | 49 | Very low | 47.6 | Very low | 124 Ų | 124 | 102 Ų | 102 | 54% | 0.544 | 64% | 0.643 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.3 | 136 | 175.5 | 175.8 | -108.2 | 0 | 0 | 0 | 112.1 | G140 | G140-F142 PolarHBondContact O-N 3.18Å |
| 143 | K | 52.9 | Low | 49.9 | Very low | 128 Ų | 128 | 96 Ų | 96 | 56% | 0.557 | 61% | 0.612 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -133.3 | 114.5 | 168.7 | -67 | -174.5 | -179.3 | 178.4 | 0 | 109.6 | ||
| 144 | S | 36.9 | Very low | 52.2 | Low | 87 Ų | 87 | 90.8 Ų | 90.8 | 61% | 0.608 | 57% | 0.573 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.8 | 120.2 | 172.9 | -166.6 | 0 | 0 | 0 | 0 | 110 | ||
| 145 | L | 45.5 | Very low | 53.9 | Low | 112 Ų | 112 | 89.4 Ų | 89.4 | 59% | 0.586 | 56% | 0.557 | S | S | * | * | trans | -130.3 | 104.5 | 177.6 | -84.6 | 165.1 | 0 | 0 | 0 | 109.2 | ||||
| 146 | G | 42.8 | Very low | 55 | Low | 66 Ų | 66 | 84.3 Ų | 84.3 | 68% | 0.68 | 53% | 0.531 | S | S | * | . | S | Bend | trans | 74.2 | -179.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 147 | A | 41.5 | Very low | 56 | Low | 112 Ų | 112 | 84.1 Ų | 84.1 | 93% | 0.926 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -89.3 | 113.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 148 | G | 53.8 | Low | 56.8 | Low | 84 Ų | 84 | 87.8 Ų | 87.8 | 87% | 0.866 | 53% | 0.529 | S | S | * | . | S | Bend | trans | 98.5 | -9.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 149 | E | 57 | Low | 57.1 | Low | 87 Ų | 87 | 92.3 Ų | 92.3 | 41% | 0.407 | 54% | 0.539 | S | S | . | . | trans | -97.1 | 108.3 | -176.3 | -177.6 | 148.2 | -112.4 | 0 | 0 | 112 | V151 R185 | E149-V151 HydrophobicContact CG-CG2 4.22Å; E149-R185 IonicContact OE1-CZ 2.91Å; E149-R185 IonicContact OE1-NE 3.61Å; E149-R185 PolarHBondContact OE1-NE 2.81Å; E149-R185 IonicContact OE1-NH2 2.72Å; E149-R185 PolarHBondContact OE1-NH2 2.96Å; E149-R185 IonicContact OE2-NH2 3.34Å | ||
| 150 | M | 70.7 | Confident | 57 | Low | 93 Ų | 93 | 87.8 Ų | 87.8 | 46% | 0.458 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 122.6 | 175.4 | -69.9 | -162.7 | -66.7 | 0 | 0 | 111.4 | F152 T184 R185 | M150-F152 HydrophobicContact CB-CE2 4.16Å; M150-T184 HydrophobicContact CB-CG2 4.28Å; M150-R185 PolarHBondContact O-N 3.18Å |
| 151 | V | 81.1 | Confident | 56.5 | Low | 25 Ų | 25 | 88.3 Ų | 88.3 | 15% | 0.152 | 54% | 0.536 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 118.3 | 176.2 | -171.3 | 0 | 0 | 0 | 0 | 109.7 | E149 R185 V187 | E149-V151 HydrophobicContact CG-CG2 4.22Å; V151-R185 WeakPolarHBondContact CA-O 3.43Å; V151-R185 HydrophobicContact CG1-CB 4.34Å; V151-R185 HydrophobicContact CG2-CB 4.24Å; V151-V187 HydrophobicContact CG1-CG2 3.79Å |
| 152 | F | 82.8 | Confident | 56.1 | Low | 44 Ų | 44 | 88.9 Ų | 88.9 | 19% | 0.193 | 55% | 0.549 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 131.5 | 174.5 | -66.2 | -88.7 | 0 | 0 | 0 | 110.2 | M150 Y154 T184 R185 F186 V187 | M150-F152 HydrophobicContact CB-CE2 4.16Å; F152-Y154 HydrophobicContact CB-CD2 4.4Å; F152-Y154 HydrophobicContact CB-CE2 3.53Å; F152-T184 HydrophobicContact CD2-CG2 3.66Å; F152-T184 HydrophobicContact CE2-CG2 3.59Å; F152-R185 PolarHBondContact N-O 3.19Å; F152-F186 HydrophobicContact CB-CD1 4.24Å; F152-F186 HydrophobicContact CD2-CE1 4.16Å; F152-F186 HydrophobicContact CD2-CZ 4.47Å; F152-V187 PolarHBondContact O-N 2.77Å |
| 153 | V | 81.9 | Confident | 55.7 | Low | 24 Ų | 24 | 91 Ų | 91 | 15% | 0.145 | 57% | 0.567 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.6 | 122.2 | -179.9 | -172.9 | 0 | 0 | 0 | 0 | 110 | R176 V187 | V153-R176 VanDerWaalsContact CG1-NH1 3.27Å; V153-V187 HydrophobicContact CG2-CB 4.42Å |
| 154 | Y | 78.5 | Confident | 55 | Low | 17 Ų | 17 | 88 Ų | 88 | 7% | 0.067 | 57% | 0.565 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.5 | 103.9 | -178.4 | -65.6 | -102.4 | 0 | 0 | 0 | 110.6 | F152 F186 V187 V188 R234 L237 | F152-Y154 HydrophobicContact CB-CD2 4.4Å; F152-Y154 HydrophobicContact CB-CE2 3.53Å; Y154-F186 AromaticContact CE2-CD1 3.72Å; Y154-F186 HydrophobicContact CE2-CD1 3.72Å; Y154-V187 PolarHBondContact N-O 3.43Å; Y154-V188 HydrophobicContact CD2-CG1 3.97Å; Y154-V188 HydrophobicContact CG-CG1 4.27Å; Y154-R234 WeakPolarHBondContact OH-CG 2.99Å; Y154-L237 HydrophobicContact CD1-CB 4.2Å; Y154-L237 HydrophobicContact CD1-CD1 4.28Å; Y154-L237 HydrophobicContact CD2-CD1 3.92Å; Y154-L237 HydrophobicContact CE1-CB 3.92Å; Y154-L237 HydrophobicContact CE1-CD1 3.92Å; Y154-L237 HydrophobicContact CE2-CD1 3.55Å; Y154-L237 HydrophobicContact CG-CD1 4.29Å |
| 155 | D | 70.6 | Confident | 55.2 | Low | 77 Ų | 77 | 89.7 Ų | 89.7 | 41% | 0.412 | 58% | 0.575 | S | S | . | * | trans | -88.5 | 156.2 | 172.7 | -81 | -88.5 | 0 | 0 | 0 | 112.3 | R176 K241 | D155-R176 VanDerWaalsContact CG-NH1 3.26Å; D155-R176 IonicContact OD1-CZ 3.81Å; D155-R176 VanDerWaalsContact OD1-CZ 3.29Å; D155-R176 IonicContact OD1-NH1 3.02Å; D155-R176 PolarHBondContact OD1-NH1 3.33Å; D155-R176 VanDerWaalsContact OD1-NH1 3.1Å; D155-R176 IonicContact OD1-NH2 3.78Å; D155-R176 PolarHBondContact OD1-NH2 2.86Å; D155-R176 IonicContact OD2-CZ 3.8Å; D155-R176 IonicContact OD2-NH1 3.23Å; D155-R176 PolarHBondContact OD2-NH1 2.88Å; D155-R176 IonicContact OD2-NH2 2.86Å; D155-K241 PolarHBondContact O-NZ 2.92Å | ||
| 156 | N | 60.2 | Low | 55.2 | Low | 65 Ų | 65 | 92 Ų | 92 | 35% | 0.348 | 59% | 0.593 | S | S | . | * | trans | -102.2 | 113.9 | 176.9 | -175.8 | -8.3 | 0 | 0 | 0 | 108.6 | K158 | N156-K158 PolarHBondContact O-N 3.45Š| ||
| 157 | P | 54.4 | Low | 54.9 | Low | 116 Ų | 116 | 91.6 Ų | 91.6 | 75% | 0.753 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 12.7 | -169 | 29.6 | -36.6 | 0 | 0 | 0 | 115.3 | ||
| 158 | K | 51.6 | Low | 54.8 | Low | 187 Ų | 187 | 94.1 Ų | 94.1 | 81% | 0.813 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -8.8 | -174.6 | -79.5 | -174.6 | 172.5 | 178.7 | 0 | 115.9 | N156 G160 | N156-K158 PolarHBondContact O-N 3.45Å; K158-G160 VanDerWaalsContact C-N 3.31Å; K158-G160 PolarHBondContact O-N 2.91Å |
| 159 | E | 46.4 | Very low | 54 | Low | 194 Ų | 194 | 99 Ų | 99 | 91% | 0.907 | 58% | 0.578 | S | S | * | * | trans | -91.7 | 43 | 172.2 | -69.8 | -150.9 | 119.5 | 0 | 0 | 113.9 | G161 | E159-G161 PolarHBondContact O-N 2.9Š| ||
| 160 | G | 40.8 | Very low | 52.9 | Low | 70 Ų | 70 | 102.3 Ų | 102.3 | 72% | 0.722 | 60% | 0.599 | S | S | * | * | trans | -79.6 | 22.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | K158 A162 | K158-G160 VanDerWaalsContact C-N 3.31Å; K158-G160 PolarHBondContact O-N 2.91Å; G160-A162 PolarHBondContact O-N 2.84Å | ||
| 161 | G | 34.7 | Very low | 51.4 | Low | 60 Ų | 60 | 103.1 Ų | 103.1 | 62% | 0.619 | 61% | 0.61 | S | S | * | * | trans | -79 | 81.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | E159 N163 | E159-G161 PolarHBondContact O-N 2.9Å; G161-N163 VanDerWaalsContact C-N 3.35Å; G161-N163 PolarHBondContact O-N 2.67Å | ||
| 162 | A | 44.2 | Very low | 49.5 | Very low | 94 Ų | 94 | 113.4 Ų | 113.4 | 78% | 0.777 | 65% | 0.646 | S | S | * | * | trans | -77.6 | 73.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G160 | G160-A162 PolarHBondContact O-N 2.84Š| ||
| 163 | N | 41.9 | Very low | 47.6 | Very low | 169 Ų | 169 | 117 Ų | 117 | 90% | 0.904 | 67% | 0.671 | S | S | * | * | trans | -179.2 | 99.8 | 148.6 | -95 | -31 | 0 | 0 | 0 | 110.8 | G161 | G161-N163 VanDerWaalsContact C-N 3.35Å; G161-N163 PolarHBondContact O-N 2.67Å | ||
| 164 | A | 37 | Very low | 46.3 | Very low | 64 Ų | 64 | 118.6 Ų | 118.6 | 53% | 0.529 | 68% | 0.683 | S | S | . | * | trans | -149.7 | 142.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 165 | P | 41.1 | Very low | 46.1 | Very low | 124 Ų | 124 | 123.6 Ų | 123.6 | 81% | 0.805 | 71% | 0.707 | S | S | * | * | trans | -70.8 | 159.6 | -173 | 29 | -35.5 | 0 | 0 | 0 | 113.1 | G167 | P165-G167 PolarHBondContact O-N 3.1Š| ||
| 166 | V | 47.1 | Very low | 47 | Very low | 161 Ų | 161 | 125 Ų | 125 | 98% | 0.976 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -71.2 | 98.4 | 178.1 | -178.1 | 0 | 0 | 0 | 0 | 110 | ||
| 167 | G | 35 | Very low | 48.4 | Very low | 56 Ų | 56 | 122.2 Ų | 122.2 | 58% | 0.577 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -161.4 | 127.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | P165 R169 | P165-G167 PolarHBondContact O-N 3.1Å; G167-R169 PolarHBondContact O-N 3.09Å |
| 168 | N | 40.1 | Very low | 50.3 | Low | 165 Ų | 165 | 118 Ų | 118 | 88% | 0.882 | 67% | 0.665 | S | S | * | * | trans | -4.6 | 80.6 | -176 | -71.6 | 18 | 0 | 0 | 0 | 116.6 | N170 | N168-N170 PolarHBondContact O-N 2.59Š| ||
| 169 | R | 36.6 | Very low | 52.4 | Low | 186 Ų | 186 | 109.1 Ų | 109.1 | 70% | 0.702 | 63% | 0.626 | S | S | * | * | trans | -68.6 | 86 | 155.5 | -78.1 | -171.7 | 175.5 | -168.6 | -2.3 | 108 | G167 T171 | G167-R169 PolarHBondContact O-N 3.09Å; R169-T171 PolarHBondContact O-N 3.06Å | ||
| 170 | N | 35.2 | Very low | 54.7 | Low | 157 Ų | 157 | 100.8 Ų | 100.8 | 84% | 0.84 | 59% | 0.587 | S | S | * | * | trans | -59.1 | 93.5 | 145.9 | -115 | 21 | 0 | 0 | 0 | 105.2 | N168 R172 | N168-N170 PolarHBondContact O-N 2.59Å; N170-R172 PolarHBondContact O-N 2.88Å | ||
| 171 | T | 38.6 | Very low | 57.3 | Low | 111 Ų | 111 | 97.5 Ų | 97.5 | 68% | 0.681 | 55% | 0.554 | S | S | * | * | trans | -58.8 | 105.7 | 168.1 | 47.5 | 0 | 0 | 0 | 0 | 105.9 | R169 T173 | R169-T171 PolarHBondContact O-N 3.06Å; T171-T173 PolarHBondContact O-N 3.07Å | ||
| 172 | R | 40.7 | Very low | 60.2 | Low | 240 Ų | 240 | 98.8 Ų | 98.8 | 91% | 0.906 | 55% | 0.546 | S | S | * | . | trans | -57.9 | 101.7 | 159.8 | -80 | -178.7 | 169.8 | 178.7 | -4.1 | 104.7 | N170 S174 | N170-R172 PolarHBondContact O-N 2.88Å; R172-S174 VanDerWaalsContact C-N 3.27Å; R172-S174 PolarHBondContact O-N 2.78Å | ||
| 173 | T | 42.3 | Very low | 62.5 | Low | 119 Ų | 119 | 101.2 Ų | 101.2 | 73% | 0.73 | 55% | 0.546 | S | S | * | . | trans | -62.9 | 99.6 | 167.6 | 46.5 | 0 | 0 | 0 | 0 | 105.3 | T171 E175 | T171-T173 PolarHBondContact O-N 3.07Å; T173-E175 PolarHBondContact O-N 3.15Å; T173-E175 VanDerWaalsContact O-N 3.15Å | ||
| 174 | S | 54.5 | Low | 65.1 | Low | 58 Ų | 58 | 93.7 Ų | 93.7 | 41% | 0.406 | 51% | 0.506 | S | S | . | . | trans | -42.8 | 126.6 | 164.8 | -56.8 | 0 | 0 | 0 | 0 | 106.6 | R172 R176 D189 | R172-S174 VanDerWaalsContact C-N 3.27Å; R172-S174 PolarHBondContact O-N 2.78Å; S174-R176 VanDerWaalsContact C-N 3.27Å; S174-R176 WeakPolarHBondContact O-CG 3.2Å; S174-R176 PolarHBondContact O-N 2.71Å; S174-D189 WeakPolarHBondContact CB-OD2 3.26Å; S174-D189 PolarHBondContact OG-OD2 2.84Å; S174-D189 VanDerWaalsContact OG-OD2 3.07Å | ||
| 175 | E | 76 | Confident | 67.9 | Low | 122 Ų | 122 | 92.9 Ų | 92.9 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | trans | -67.2 | 86.9 | -163.7 | -168.6 | -167.6 | 166.9 | 0 | 0 | 110 | T173 V177 P190 R209 | T173-E175 PolarHBondContact O-N 3.15Å; T173-E175 VanDerWaalsContact O-N 3.15Å; E175-V177 PolarHBondContact O-N 2.66Å; E175-P190 WeakPolarHBondContact O-CD 3.24Å; E175-P190 VanDerWaalsContact O-CG 3.3Å; E175-P190 WeakPolarHBondContact O-CG 3.18Å; E175-R209 VanDerWaalsContact CD-NH2 3.3Å; E175-R209 IonicContact OE1-CZ 2.86Å; E175-R209 IonicContact OE1-NH1 3.46Å; E175-R209 IonicContact OE1-NH2 2.96Å; E175-R209 PolarHBondContact OE1-NH2 2.84Å; E175-R209 IonicContact OE2-CZ 2.85Å; E175-R209 IonicContact OE2-NH1 2.76Å; E175-R209 PolarHBondContact OE2-NH1 3.14Å; E175-R209 IonicContact OE2-NH2 3.11Å; E175-R209 PolarHBondContact OE2-NH2 3.5Å | ||
| 176 | R | 88.4 | Confident | 70.5 | Confident | 106 Ų | 106 | 87 Ų | 87 | 40% | 0.4 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 130 | -171 | -57.8 | -161.4 | -169.6 | -152.3 | -2.6 | 109.1 | V153 D155 S174 V187 V188 | V153-R176 VanDerWaalsContact CG1-NH1 3.27Å; D155-R176 VanDerWaalsContact CG-NH1 3.26Å; D155-R176 IonicContact OD1-CZ 3.81Å; D155-R176 VanDerWaalsContact OD1-CZ 3.29Å; D155-R176 IonicContact OD1-NH1 3.02Å; D155-R176 PolarHBondContact OD1-NH1 3.33Å; D155-R176 VanDerWaalsContact OD1-NH1 3.1Å; D155-R176 IonicContact OD1-NH2 3.78Å; D155-R176 PolarHBondContact OD1-NH2 2.86Å; D155-R176 IonicContact OD2-CZ 3.8Å; D155-R176 IonicContact OD2-NH1 3.23Å; D155-R176 PolarHBondContact OD2-NH1 2.88Å; D155-R176 IonicContact OD2-NH2 2.86Å; S174-R176 VanDerWaalsContact C-N 3.27Å; S174-R176 WeakPolarHBondContact O-CG 3.2Å; S174-R176 PolarHBondContact O-N 2.71Å; R176-V187 HydrophobicContact CB-CG1 3.82Å; R176-V187 HydrophobicContact CG-CG1 4.45Å; R176-V188 CarbonylContact C-O 3.59Å; R176-V188 VanDerWaalsContact CA-O 3.26Å; R176-V188 WeakPolarHBondContact CA-O 3.11Å |
| 177 | V | 90.9 | Very high | 72.8 | Confident | 8 Ų | 8 | 80.7 Ų | 80.7 | 5% | 0.048 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 135 | 175.3 | 170.8 | 0 | 0 | 0 | 0 | 108.2 | E175 L179 V188 P190 F205 Y222 | E175-V177 PolarHBondContact O-N 2.66Å; V177-L179 HydrophobicContact CG1-CD2 3.67Å; V177-L179 HydrophobicContact CG1-CG 4.38Å; V177-V188 PolarHBondContact N-O 3.21Å; V177-V188 WeakPolarHBondContact O-CG2 3.3Å; V177-V188 PolarHBondContact O-N 3.13Å; V177-P190 HydrophobicContact CB-CG 4.16Å; V177-P190 HydrophobicContact CG2-CG 3.6Å; V177-F205 HydrophobicContact CG1-CD1 4.4Å; V177-F205 HydrophobicContact CG1-CE1 3.88Å; V177-F205 HydrophobicContact CG1-CZ 4.41Å; V177-Y222 HydrophobicContact CG1-CD2 3.47Å; V177-Y222 VanDerWaalsContact CG1-CD2 3.47Å; V177-Y222 HydrophobicContact CG1-CE2 3.78Å; V177-Y222 HydrophobicContact CG1-CG 4.32Å; V177-Y222 HydrophobicContact CG2-CE2 4.48Å |
| 178 | T | 94.1 | Very high | 75.5 | Confident | 28 Ų | 28 | 78 Ų | 78 | 17% | 0.172 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 116.9 | 167.7 | -51.7 | 0 | 0 | 0 | 0 | 109 | I180 R185 V187 E221 Y222 | T178-I180 HydrophobicContact CG2-CD1 3.94Å; T178-R185 HydrophobicContact CG2-CB 3.92Å; T178-R185 HydrophobicContact CG2-CG 4.49Å; T178-V187 HydrophobicContact CG2-CG2 4.26Å; T178-E221 HydrophobicContact CG2-CB 4.37Å; T178-E221 HydrophobicContact CG2-CG 4.26Å; T178-E221 WeakPolarHBondContact CG2-OE1 3.39Å; T178-Y222 PolarHBondContact O-N 2.71Å |
| 179 | L | 94.9 | Very high | 78 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 136.4 | 168.9 | -52.9 | -179.5 | 0 | 0 | 0 | 109 | V177 F186 V188 F193 F205 Y222 V224 F233 | V177-L179 HydrophobicContact CG1-CD2 3.67Å; V177-L179 HydrophobicContact CG1-CG 4.38Å; L179-F186 HydrophobicContact CB-CB 4.32Å; L179-F186 PolarHBondContact N-O 3.46Å; L179-F186 PolarHBondContact O-N 2.76Å; L179-V188 HydrophobicContact CD1-CG2 4.03Å; L179-V188 HydrophobicContact CG-CG2 4.12Å; L179-F193 HydrophobicContact CD1-CE2 4.39Å; L179-F193 HydrophobicContact CD1-CZ 3.85Å; L179-F205 HydrophobicContact CD2-CE1 4.16Å; L179-F205 HydrophobicContact CD2-CE2 3.64Å; L179-F205 HydrophobicContact CD2-CZ 3.42Å; L179-F205 VanDerWaalsContact CD2-CZ 3.42Å; L179-Y222 CarbonylContact C-O 3.57Å; L179-Y222 WeakPolarHBondContact CA-O 3.41Å; L179-V224 HydrophobicContact CB-CG2 4.07Å; L179-V224 HydrophobicContact CD1-CG2 4.48Å; L179-V224 HydrophobicContact CD2-CG1 4.42Å; L179-V224 HydrophobicContact CD2-CG2 4.4Å; L179-F233 HydrophobicContact CD1-CE1 4.2Å; L179-F233 HydrophobicContact CD1-CZ 3.87Å |
| 180 | I | 94.9 | Very high | 80.5 | Confident | 18 Ų | 18 | 63 Ų | 63 | 9% | 0.092 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 120.9 | 174.2 | -47 | -62.7 | 0 | 0 | 0 | 107.5 | T178 R185 E221 Y222 V224 | T178-I180 HydrophobicContact CG2-CD1 3.94Å; I180-R185 HydrophobicContact CD1-CB 4.18Å; I180-R185 HydrophobicContact CD1-CG 3.61Å; I180-E221 HydrophobicContact CD1-CB 4.06Å; I180-E221 HydrophobicContact CG1-CB 3.96Å; I180-Y222 PolarHBondContact N-O 2.72Å; I180-V224 PolarHBondContact O-N 2.71Å; I180-V224 VanDerWaalsContact O-N 3.07Å |
| 181 | V | 95.7 | Very high | 83.1 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.012 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 128.3 | 178.6 | -173.2 | 0 | 0 | 0 | 0 | 107.8 | N183 T184 F186 V224 A225 I228 F233 | V181-N183 VanDerWaalsContact C-N 3.28Å; V181-N183 PolarHBondContact O-N 3.27Å; V181-T184 PolarHBondContact N-O 3.27Å; V181-T184 VanDerWaalsContact N-O 3.07Å; V181-T184 WeakPolarHBondContact O-CA 3.42Å; V181-T184 VanDerWaalsContact O-CB 3.31Å; V181-T184 WeakPolarHBondContact O-CB 3.37Å; V181-T184 PolarHBondContact O-N 3.39Å; V181-F186 HydrophobicContact CB-CD2 4.31Å; V181-F186 HydrophobicContact CB-CE2 3.99Å; V181-F186 HydrophobicContact CG2-CD2 4.39Å; V181-V224 HydrophobicContact CG2-CG2 3.61Å; V181-A225 HydrophobicContact CG1-CB 3.85Å; V181-A225 HydrophobicContact CG2-CB 4.04Å; V181-I228 WeakPolarHBondContact CG1-O 3.47Å; V181-F233 HydrophobicContact CB-CB 4.45Å; V181-F233 HydrophobicContact CB-CD1 4.2Å; V181-F233 HydrophobicContact CB-CD2 4.47Å; V181-F233 HydrophobicContact CB-CG 4.12Å; V181-F233 HydrophobicContact CG1-CB 3.96Å; V181-F233 HydrophobicContact CG1-CD2 4.09Å; V181-F233 HydrophobicContact CG1-CG 3.94Å; V181-F233 HydrophobicContact CG2-CD1 3.76Å; V181-F233 HydrophobicContact CG2-CD2 3.92Å; V181-F233 HydrophobicContact CG2-CE1 3.72Å; V181-F233 HydrophobicContact CG2-CE2 3.89Å; V181-F233 HydrophobicContact CG2-CG 3.86Å; V181-F233 HydrophobicContact CG2-CZ 3.79Å |
| 182 | D | 94.8 | Very high | 85.6 | Confident | 87 Ų | 87 | 52.9 Ų | 52.9 | 47% | 0.465 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 51.2 | 179.7 | 177.4 | 40.4 | 0 | 0 | 0 | 111.3 | T184 S230 | D182-T184 PolarHBondContact O-N 2.96Å; D182-T184 PolarHBondContact O-OG1 3.23Å; D182-S230 WeakPolarHBondContact OD2-CB 3.42Å; D182-S230 PolarHBondContact OD2-N 2.88Å; D182-S230 PolarHBondContact OD2-OG 2.91Å |
| 183 | N | 93.2 | Very high | 88 | Confident | 145 Ų | 145 | 41.5 Ų | 41.5 | 78% | 0.775 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49 | 8.6 | -171.8 | -62.6 | 114.8 | 0 | 0 | 0 | 116.8 | V181 | V181-N183 VanDerWaalsContact C-N 3.28Å; V181-N183 PolarHBondContact O-N 3.27Å |
| 184 | T | 95.9 | Very high | 90.2 | Very high | 10 Ų | 10 | 39.6 Ų | 39.6 | 6% | 0.061 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 139.7 | -175 | -61.5 | 0 | 0 | 0 | 0 | 110 | M150 F152 V181 D182 F186 S230 | M150-T184 HydrophobicContact CB-CG2 4.28Å; F152-T184 HydrophobicContact CD2-CG2 3.66Å; F152-T184 HydrophobicContact CE2-CG2 3.59Å; V181-T184 PolarHBondContact N-O 3.27Å; V181-T184 VanDerWaalsContact N-O 3.07Å; V181-T184 WeakPolarHBondContact O-CA 3.42Å; V181-T184 VanDerWaalsContact O-CB 3.31Å; V181-T184 WeakPolarHBondContact O-CB 3.37Å; V181-T184 PolarHBondContact O-N 3.39Å; D182-T184 PolarHBondContact O-N 2.96Å; D182-T184 PolarHBondContact O-OG1 3.23Å; T184-F186 HydrophobicContact CG2-CD2 4.3Å; T184-F186 HydrophobicContact CG2-CE2 3.58Å; T184-F186 HydrophobicContact CG2-CZ 3.73Å; T184-F186 WeakPolarHBondContact O-CD2 3.47Å; T184-S230 WeakPolarHBondContact OG1-CB 3.21Å |
| 185 | R | 96 | Very high | 91.8 | Very high | 48 Ų | 48 | 39.7 Ų | 39.7 | 18% | 0.181 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 127.2 | -177.2 | -49 | -150.8 | -167 | 177.4 | 7.2 | 111.7 | E149 M150 V151 F152 T178 I180 E221 | E149-R185 IonicContact OE1-CZ 2.91Å; E149-R185 IonicContact OE1-NE 3.61Å; E149-R185 PolarHBondContact OE1-NE 2.81Å; E149-R185 IonicContact OE1-NH2 2.72Å; E149-R185 PolarHBondContact OE1-NH2 2.96Å; E149-R185 IonicContact OE2-NH2 3.34Å; M150-R185 PolarHBondContact O-N 3.18Å; V151-R185 WeakPolarHBondContact CA-O 3.43Å; V151-R185 HydrophobicContact CG1-CB 4.34Å; V151-R185 HydrophobicContact CG2-CB 4.24Å; F152-R185 PolarHBondContact N-O 3.19Å; T178-R185 HydrophobicContact CG2-CB 3.92Å; T178-R185 HydrophobicContact CG2-CG 4.49Å; I180-R185 HydrophobicContact CD1-CB 4.18Å; I180-R185 HydrophobicContact CD1-CG 3.61Å; R185-E221 WeakPolarHBondContact CD-OE1 3.32Å; R185-E221 IonicContact CZ-OE1 2.7Å; R185-E221 IonicContact CZ-OE2 2.77Å; R185-E221 IonicContact NE-OE1 3.95Å; R185-E221 IonicContact NH1-OE1 2.81Å; R185-E221 PolarHBondContact NH1-OE1 3.34Å; R185-E221 IonicContact NH1-OE2 3.47Å; R185-E221 PolarHBondContact NH1-OE2 2.85Å |
| 186 | F | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 103.6 | 178.3 | -61.8 | -98.5 | 0 | 0 | 0 | 109.1 | F152 Y154 L179 V181 T184 V188 S230 F233 R234 L237 | F152-F186 HydrophobicContact CB-CD1 4.24Å; F152-F186 HydrophobicContact CD2-CE1 4.16Å; F152-F186 HydrophobicContact CD2-CZ 4.47Å; Y154-F186 AromaticContact CE2-CD1 3.72Å; Y154-F186 HydrophobicContact CE2-CD1 3.72Å; L179-F186 HydrophobicContact CB-CB 4.32Å; L179-F186 PolarHBondContact N-O 3.46Å; L179-F186 PolarHBondContact O-N 2.76Å; V181-F186 HydrophobicContact CB-CD2 4.31Å; V181-F186 HydrophobicContact CB-CE2 3.99Å; V181-F186 HydrophobicContact CG2-CD2 4.39Å; T184-F186 HydrophobicContact CG2-CD2 4.3Å; T184-F186 HydrophobicContact CG2-CE2 3.58Å; T184-F186 HydrophobicContact CG2-CZ 3.73Å; T184-F186 WeakPolarHBondContact O-CD2 3.47Å; F186-V188 HydrophobicContact CB-CG1 4.47Å; F186-S230 WeakPolarHBondContact CZ-O 3.37Å; F186-F233 HydrophobicContact CB-CE1 4.3Å; F186-F233 AromaticContact CD1-CD1 3.92Å; F186-F233 HydrophobicContact CD1-CD1 3.92Å; F186-F233 HydrophobicContact CD1-CE1 4.32Å; F186-F233 AromaticContact CD2-CD1 3.86Å; F186-F233 HydrophobicContact CD2-CD1 3.86Å; F186-F233 HydrophobicContact CD2-CE1 4.15Å; F186-F233 AromaticContact CE1-CD1 3.96Å; F186-F233 HydrophobicContact CE1-CD1 3.96Å; F186-F233 AromaticContact CE2-CD1 3.89Å; F186-F233 HydrophobicContact CE2-CD1 3.89Å; F186-F233 AromaticContact CG-CD1 3.9Å; F186-F233 HydrophobicContact CG-CD1 3.9Å; F186-F233 HydrophobicContact CG-CE1 4.01Å; F186-F233 HydrophobicContact CZ-CB 4.39Å; F186-F233 AromaticContact CZ-CD1 3.95Å; F186-F233 HydrophobicContact CZ-CD1 3.95Å; F186-R234 HydrophobicContact CE1-CB 4.27Å; F186-L237 HydrophobicContact CB-CD1 4.15Å; F186-L237 HydrophobicContact CD1-CD1 3.52Å; F186-L237 HydrophobicContact CE1-CD1 4.31Å; F186-L237 HydrophobicContact CG-CD1 4.15Å |
| 187 | V | 94.8 | Very high | 92.7 | Very high | 28 Ų | 28 | 34.9 Ų | 34.9 | 17% | 0.17 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 110.2 | 177.9 | -178.6 | 0 | 0 | 0 | 0 | 108.6 | V151 F152 V153 Y154 R176 T178 | V151-V187 HydrophobicContact CG1-CG2 3.79Å; F152-V187 PolarHBondContact O-N 2.77Å; V153-V187 HydrophobicContact CG2-CB 4.42Å; Y154-V187 PolarHBondContact N-O 3.43Å; R176-V187 HydrophobicContact CB-CG1 3.82Å; R176-V187 HydrophobicContact CG-CG1 4.45Å; T178-V187 HydrophobicContact CG2-CG2 4.26Å |
| 188 | V | 92.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 149 | -171.1 | -62.2 | 0 | 0 | 0 | 0 | 111.4 | Y154 R176 V177 L179 F186 P190 I192 F193 L237 | Y154-V188 HydrophobicContact CD2-CG1 3.97Å; Y154-V188 HydrophobicContact CG-CG1 4.27Å; R176-V188 CarbonylContact C-O 3.59Å; R176-V188 VanDerWaalsContact CA-O 3.26Å; R176-V188 WeakPolarHBondContact CA-O 3.11Å; V177-V188 PolarHBondContact N-O 3.21Å; V177-V188 WeakPolarHBondContact O-CG2 3.3Å; V177-V188 PolarHBondContact O-N 3.13Å; L179-V188 HydrophobicContact CD1-CG2 4.03Å; L179-V188 HydrophobicContact CG-CG2 4.12Å; F186-V188 HydrophobicContact CB-CG1 4.47Å; V188-P190 WeakPolarHBondContact O-CD 3.33Å; V188-I192 HydrophobicContact CB-CD1 4.23Å; V188-I192 HydrophobicContact CG1-CD1 4.38Å; V188-F193 HydrophobicContact CB-CE2 4.5Å; V188-F193 HydrophobicContact CG2-CE2 3.73Å; V188-F193 HydrophobicContact CG2-CZ 3.96Å; V188-L237 HydrophobicContact CG1-CD1 4.06Å; V188-L237 HydrophobicContact CG1-CD2 4.15Å |
| 189 | D | 91.6 | Very high | 92.8 | Very high | 22 Ų | 22 | 39 Ų | 39 | 12% | 0.118 | 22% | 0.224 | C | C | . | . | trans | -79.3 | 119 | 163.3 | -175.3 | -41.4 | 0 | 0 | 0 | 108.6 | S174 S191 I192 | S174-D189 WeakPolarHBondContact CB-OD2 3.26Å; S174-D189 PolarHBondContact OG-OD2 2.84Å; S174-D189 VanDerWaalsContact OG-OD2 3.07Å; D189-S191 PolarHBondContact O-N 3.21Å; D189-S191 WeakPolarHBondContact OD1-CB 3.32Å; D189-S191 PolarHBondContact OD1-N 2.66Å; D189-S191 PolarHBondContact OD1-OG 3.03Å; D189-I192 WeakPolarHBondContact O-CG1 3.36Å; D189-I192 PolarHBondContact O-N 2.92Å | ||
| 190 | P | 89.3 | Confident | 92.7 | Very high | 13 Ų | 13 | 41.7 Ų | 41.7 | 8% | 0.084 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -56.9 | -22.4 | -177.5 | -28.9 | 37.5 | 0 | 0 | 0 | 114.9 | E175 V177 V188 I192 F193 F205 | E175-P190 WeakPolarHBondContact O-CD 3.24Å; E175-P190 VanDerWaalsContact O-CG 3.3Å; E175-P190 WeakPolarHBondContact O-CG 3.18Å; V177-P190 HydrophobicContact CB-CG 4.16Å; V177-P190 HydrophobicContact CG2-CG 3.6Å; V188-P190 WeakPolarHBondContact O-CD 3.33Å; P190-I192 PolarHBondContact O-N 3.39Å; P190-I192 VanDerWaalsContact O-N 3.1Å; P190-F193 WeakPolarHBondContact O-CD2 3.19Å; P190-F193 PolarHBondContact O-N 3.36Å; P190-F193 VanDerWaalsContact O-N 3.07Å; P190-F205 HydrophobicContact CB-CB 4.42Å |
| 191 | S | 88.9 | Confident | 92.7 | Very high | 46 Ų | 46 | 40.8 Ų | 40.8 | 32% | 0.322 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -58.7 | -24.3 | 179.1 | 63.7 | 0 | 0 | 0 | 0 | 113.5 | D189 F193 T194 | D189-S191 PolarHBondContact O-N 3.21Å; D189-S191 WeakPolarHBondContact OD1-CB 3.32Å; D189-S191 PolarHBondContact OD1-N 2.66Å; D189-S191 PolarHBondContact OD1-OG 3.03Å; S191-F193 PolarHBondContact O-N 3.3Å; S191-T194 WeakPolarHBondContact O-CB 3.49Å; S191-T194 PolarHBondContact O-N 3.07Å; S191-T194 PolarHBondContact O-OG1 2.57Å |
| 192 | I | 91.3 | Very high | 92.5 | Very high | 11 Ų | 11 | 40.9 Ų | 40.9 | 6% | 0.056 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -62.1 | -32.6 | 177 | 72.7 | -177.9 | 0 | 0 | 0 | 112.1 | V188 D189 P190 T194 A195 L237 | V188-I192 HydrophobicContact CB-CD1 4.23Å; V188-I192 HydrophobicContact CG1-CD1 4.38Å; D189-I192 WeakPolarHBondContact O-CG1 3.36Å; D189-I192 PolarHBondContact O-N 2.92Å; P190-I192 PolarHBondContact O-N 3.39Å; P190-I192 VanDerWaalsContact O-N 3.1Å; I192-T194 VanDerWaalsContact C-N 3.27Å; I192-T194 PolarHBondContact O-N 3.1Å; I192-A195 PolarHBondContact O-N 3.3Å; I192-L237 HydrophobicContact CD1-CD2 4.33Å |
| 193 | F | 92.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -72.9 | -20.8 | -178 | -57 | -62.4 | 0 | 0 | 0 | 112.8 | L179 V188 P190 S191 A195 Q196 L201 F205 L237 Y240 | L179-F193 HydrophobicContact CD1-CE2 4.39Å; L179-F193 HydrophobicContact CD1-CZ 3.85Å; V188-F193 HydrophobicContact CB-CE2 4.5Å; V188-F193 HydrophobicContact CG2-CE2 3.73Å; V188-F193 HydrophobicContact CG2-CZ 3.96Å; P190-F193 WeakPolarHBondContact O-CD2 3.19Å; P190-F193 PolarHBondContact O-N 3.36Å; P190-F193 VanDerWaalsContact O-N 3.07Å; S191-F193 PolarHBondContact O-N 3.3Å; F193-A195 PolarHBondContact O-N 3.22Å; F193-Q196 CarbonylContact O-C 3.52Å; F193-Q196 PolarHBondContact O-N 2.96Å; F193-Q196 VanDerWaalsContact O-N 3.13Å; F193-L201 HydrophobicContact CD1-CB 3.62Å; F193-L201 HydrophobicContact CD1-CD1 4.34Å; F193-L201 HydrophobicContact CE1-CB 3.8Å; F193-L201 HydrophobicContact CE1-CD1 3.7Å; F193-L201 HydrophobicContact CE1-CG 4.37Å; F193-L201 HydrophobicContact CG-CB 4.28Å; F193-L201 HydrophobicContact CZ-CD1 4.36Å; F193-F205 HydrophobicContact CB-CB 4.22Å; F193-F205 HydrophobicContact CD2-CB 3.45Å; F193-F205 VanDerWaalsContact CD2-CB 3.45Å; F193-F205 HydrophobicContact CD2-CD2 4.21Å; F193-F205 HydrophobicContact CD2-CG 4.09Å; F193-F205 HydrophobicContact CE2-CB 4.13Å; F193-F205 HydrophobicContact CE2-CD2 4.2Å; F193-F205 HydrophobicContact CE2-CG 4.3Å; F193-F205 HydrophobicContact CG-CB 4.08Å; F193-L237 HydrophobicContact CE1-CD2 4.01Å; F193-L237 HydrophobicContact CZ-CD2 4.02Å; F193-Y240 AromaticContact CD1-CD1 3.64Å; F193-Y240 HydrophobicContact CD1-CD1 3.64Å; F193-Y240 AromaticContact CD1-CD2 4Å; F193-Y240 HydrophobicContact CD1-CD2 4Å; F193-Y240 AromaticContact CD1-CE1 3.74Å; F193-Y240 HydrophobicContact CD1-CE1 3.74Å; F193-Y240 HydrophobicContact CD1-CE2 4.12Å; F193-Y240 AromaticContact CD1-CG 3.77Å; F193-Y240 HydrophobicContact CD1-CG 3.77Å; F193-Y240 HydrophobicContact CE1-CD1 4.39Å; F193-Y240 AromaticContact CE1-CD2 3.92Å; F193-Y240 HydrophobicContact CE1-CD2 3.92Å; F193-Y240 HydrophobicContact CE1-CE2 4.08Å; F193-Y240 HydrophobicContact CE1-CG 4.11Å |
| 194 | T | 88.8 | Confident | 92 | Very high | 79 Ų | 79 | 38.2 Ų | 38.2 | 49% | 0.485 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -64.5 | -20.4 | 176.7 | 69.4 | 0 | 0 | 0 | 0 | 113.5 | S191 I192 Q196 | S191-T194 WeakPolarHBondContact O-CB 3.49Å; S191-T194 PolarHBondContact O-N 3.07Å; S191-T194 PolarHBondContact O-OG1 2.57Å; I192-T194 VanDerWaalsContact C-N 3.27Å; I192-T194 PolarHBondContact O-N 3.1Å; T194-Q196 VanDerWaalsContact C-N 3.27Å; T194-Q196 PolarHBondContact O-N 3.39Å |
| 195 | A | 87.9 | Confident | 91.6 | Very high | 61 Ų | 61 | 38.1 Ų | 38.1 | 50% | 0.504 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -71.2 | -19.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | I192 F193 | I192-A195 PolarHBondContact O-N 3.3Å; F193-A195 PolarHBondContact O-N 3.22Å |
| 196 | Q | 92.3 | Very high | 90.8 | Very high | 55 Ų | 55 | 36.2 Ų | 36.2 | 26% | 0.257 | 20% | 0.202 | S | C | . | . | trans | -138.1 | 61.4 | -174.8 | -64.4 | -66 | -5.2 | 0 | 0 | 111.6 | F193 T194 N198 T199 Y239 Y240 | F193-Q196 CarbonylContact O-C 3.52Å; F193-Q196 PolarHBondContact O-N 2.96Å; F193-Q196 VanDerWaalsContact O-N 3.13Å; T194-Q196 VanDerWaalsContact C-N 3.27Å; T194-Q196 PolarHBondContact O-N 3.39Å; Q196-N198 PolarHBondContact O-N 3.25Å; Q196-N198 VanDerWaalsContact O-N 3.08Å; Q196-T199 HydrophobicContact CB-CG2 4.02Å; Q196-T199 PolarHBondContact O-N 2.95Å; Q196-T199 PolarHBondContact O-OG1 3.33Å; Q196-Y239 HydrophobicContact CB-CE1 4.07Å; Q196-Y239 HydrophobicContact CG-CD1 4.24Å; Q196-Y239 HydrophobicContact CG-CE1 3.57Å; Q196-Y239 PolarHBondContact OE1-OH 2.73Å; Q196-Y240 HydrophobicContact CB-CD1 3.8Å; Q196-Y240 HydrophobicContact CB-CE1 3.76Å; Q196-Y240 HydrophobicContact CG-CD1 4.16Å; Q196-Y240 HydrophobicContact CG-CE1 4.49Å | ||
| 197 | P | 91.5 | Very high | 89.4 | Confident | 71 Ų | 71 | 42.4 Ų | 42.4 | 46% | 0.461 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -11.4 | -166.2 | 29.6 | -37.6 | 0 | 0 | 0 | 115.1 | R203 | P197-R203 WeakPolarHBondContact O-CG 3.42Š|
| 198 | N | 92 | Very high | 87.8 | Confident | 119 Ų | 119 | 42.8 Ų | 42.8 | 64% | 0.636 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -17.7 | 178.7 | -74 | -33.6 | 0 | 0 | 0 | 113.9 | Q196 R203 | Q196-N198 PolarHBondContact O-N 3.25Å; Q196-N198 VanDerWaalsContact O-N 3.08Å; N198-R203 PolarHBondContact O-NE 3.43Å; N198-R203 PolarHBondContact O-NH2 2.89Å |
| 199 | T | 94.7 | Very high | 86.5 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -72.3 | 164.7 | 177.2 | 63.1 | 0 | 0 | 0 | 0 | 112 | Q196 L201 G202 R203 Y239 Y240 I265 | Q196-T199 HydrophobicContact CB-CG2 4.02Å; Q196-T199 PolarHBondContact O-N 2.95Å; Q196-T199 PolarHBondContact O-OG1 3.33Å; T199-L201 PolarHBondContact O-N 2.7Å; T199-G202 PolarHBondContact O-N 2.85Å; T199-G202 WeakPolarHBondContact OG1-CA 3.47Å; T199-G202 PolarHBondContact OG1-N 3.08Å; T199-R203 WeakPolarHBondContact O-CG 3.42Å; T199-R203 PolarHBondContact O-N 3.44Å; T199-Y239 HydrophobicContact CG2-CE1 4.2Å; T199-Y240 WeakPolarHBondContact CB-OH 3.41Å; T199-Y240 HydrophobicContact CG2-CE1 4.23Å; T199-Y240 WeakPolarHBondContact OG1-CE1 3.37Å; T199-Y240 PolarHBondContact OG1-OH 2.88Å; T199-Y240 VanDerWaalsContact OG1-OH 3.08Å; T199-I265 HydrophobicContact CG2-CG1 3.77Å |
| 200 | M | 93.1 | Very high | 85 | Confident | 56 Ų | 56 | 54.3 Ų | 54.3 | 28% | 0.276 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -55.7 | -51.6 | 173.9 | -177.7 | -174.2 | -77.9 | 0 | 0 | 111.6 | R203 M204 Y262 L263 | M200-R203 PolarHBondContact O-N 2.96Å; M200-M204 HydrophobicContact CG-SD 3.63Å; M200-M204 WeakPolarHBondContact O-CB 3.34Å; M200-M204 VanDerWaalsContact O-CG 3.27Å; M200-M204 WeakPolarHBondContact O-CG 3.21Å; M200-M204 PolarHBondContact O-N 3.33Å; M200-M204 HydrophobicContact SD-SD 4.23Å; M200-Y262 HydrophobicContact CE-CD1 3.98Å; M200-Y262 HydrophobicContact CE-CE1 3.74Å; M200-Y262 WeakPolarHBondContact CE-O 3.48Å; M200-Y262 HydrophobicContact SD-CD1 4.19Å; M200-Y262 HydrophobicContact SD-CE1 3.69Å; M200-L263 HydrophobicContact CB-CD2 4.33Å; M200-L263 WeakPolarHBondContact CB-O 3.48Å; M200-L263 PolarHBondContact N-O 3.36Å; M200-L263 HydrophobicContact SD-CD2 3.86Å |
| 201 | L | 93.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70.1 | -33.3 | 179.9 | -56 | 177.3 | 0 | 0 | 0 | 112.3 | F193 T199 R203 M204 F205 F233 Y240 L263 | F193-L201 HydrophobicContact CD1-CB 3.62Å; F193-L201 HydrophobicContact CD1-CD1 4.34Å; F193-L201 HydrophobicContact CE1-CB 3.8Å; F193-L201 HydrophobicContact CE1-CD1 3.7Å; F193-L201 HydrophobicContact CE1-CG 4.37Å; F193-L201 HydrophobicContact CG-CB 4.28Å; F193-L201 HydrophobicContact CZ-CD1 4.36Å; T199-L201 PolarHBondContact O-N 2.7Å; L201-R203 VanDerWaalsContact C-N 3.28Å; L201-R203 PolarHBondContact O-N 2.93Å; L201-M204 HydrophobicContact CD2-SD 4.43Å; L201-M204 PolarHBondContact O-N 3.01Å; L201-F205 HydrophobicContact CB-CD2 4.37Å; L201-F205 HydrophobicContact CD2-CD2 4.28Å; L201-F205 HydrophobicContact CD2-CE2 4Å; L201-F205 PolarHBondContact O-N 3.5Å; L201-F233 HydrophobicContact CD1-CE2 3.9Å; L201-F233 HydrophobicContact CD1-CZ 3.91Å; L201-Y240 HydrophobicContact CB-CE1 4.47Å; L201-Y240 HydrophobicContact CD1-CE2 3.94Å; L201-L263 HydrophobicContact CG-CD2 4.32Å |
| 202 | G | 92.1 | Very high | 82.4 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.2 | -39.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113 | T199 G206 | T199-G202 PolarHBondContact O-N 2.85Å; T199-G202 WeakPolarHBondContact OG1-CA 3.47Å; T199-G202 PolarHBondContact OG1-N 3.08Å; G202-G206 VanDerWaalsContact O-CA 3.3Å; G202-G206 WeakPolarHBondContact O-CA 3.45Å; G202-G206 PolarHBondContact O-N 3.34Å |
| 203 | R | 90.1 | Very high | 81.1 | Confident | 152 Ų | 152 | 70.2 Ų | 70.2 | 57% | 0.574 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -75 | -45.8 | 173.9 | -65.9 | 174.6 | -177.2 | 172 | 2.8 | 111.9 | P197 N198 T199 M200 L201 F205 | P197-R203 WeakPolarHBondContact O-CG 3.42Å; N198-R203 PolarHBondContact O-NE 3.43Å; N198-R203 PolarHBondContact O-NH2 2.89Å; T199-R203 WeakPolarHBondContact O-CG 3.42Å; T199-R203 PolarHBondContact O-N 3.44Å; M200-R203 PolarHBondContact O-N 2.96Å; L201-R203 VanDerWaalsContact C-N 3.28Å; L201-R203 PolarHBondContact O-N 2.93Å; R203-F205 VanDerWaalsContact C-N 3.34Å; R203-F205 PolarHBondContact O-N 3.17Å |
| 204 | M | 87.9 | Confident | 80.2 | Confident | 24 Ų | 24 | 72.8 Ų | 72.8 | 12% | 0.118 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.8 | -25.1 | -177.8 | -70.8 | 171.8 | 62 | 0 | 0 | 114.6 | M200 L201 N212 T214 V224 | M200-M204 HydrophobicContact CG-SD 3.63Å; M200-M204 WeakPolarHBondContact O-CB 3.34Å; M200-M204 VanDerWaalsContact O-CG 3.27Å; M200-M204 WeakPolarHBondContact O-CG 3.21Å; M200-M204 PolarHBondContact O-N 3.33Å; M200-M204 HydrophobicContact SD-SD 4.23Å; L201-M204 HydrophobicContact CD2-SD 4.43Å; L201-M204 PolarHBondContact O-N 3.01Å; M204-N212 PolarHBondContact O-ND2 3.37Å; M204-N212 PolarHBondContact O-OD1 3.28Å; M204-T214 HydrophobicContact CE-CG2 3.8Å; M204-V224 HydrophobicContact CE-CG1 3.71Å |
| 205 | F | 87.8 | Confident | 79.7 | Confident | 8 Ų | 8 | 79.3 Ų | 79.3 | 4% | 0.035 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -131.8 | -0.4 | -173.9 | -60.8 | -69.8 | 0 | 0 | 0 | 114.4 | V177 L179 P190 F193 L201 R203 Y222 | V177-F205 HydrophobicContact CG1-CD1 4.4Å; V177-F205 HydrophobicContact CG1-CE1 3.88Å; V177-F205 HydrophobicContact CG1-CZ 4.41Å; L179-F205 HydrophobicContact CD2-CE1 4.16Å; L179-F205 HydrophobicContact CD2-CE2 3.64Å; L179-F205 HydrophobicContact CD2-CZ 3.42Å; L179-F205 VanDerWaalsContact CD2-CZ 3.42Å; P190-F205 HydrophobicContact CB-CB 4.42Å; F193-F205 HydrophobicContact CB-CB 4.22Å; F193-F205 HydrophobicContact CD2-CB 3.45Å; F193-F205 VanDerWaalsContact CD2-CB 3.45Å; F193-F205 HydrophobicContact CD2-CD2 4.21Å; F193-F205 HydrophobicContact CD2-CG 4.09Å; F193-F205 HydrophobicContact CE2-CB 4.13Å; F193-F205 HydrophobicContact CE2-CD2 4.2Å; F193-F205 HydrophobicContact CE2-CG 4.3Å; F193-F205 HydrophobicContact CG-CB 4.08Å; L201-F205 HydrophobicContact CB-CD2 4.37Å; L201-F205 HydrophobicContact CD2-CD2 4.28Å; L201-F205 HydrophobicContact CD2-CE2 4Å; L201-F205 PolarHBondContact O-N 3.5Å; R203-F205 VanDerWaalsContact C-N 3.34Å; R203-F205 PolarHBondContact O-N 3.17Å; F205-Y222 HydrophobicContact CE1-CD1 4.01Å; F205-Y222 HydrophobicContact CE1-CD2 4.31Å; F205-Y222 HydrophobicContact CE1-CE1 4.16Å; F205-Y222 HydrophobicContact CE1-CE2 4.47Å; F205-Y222 HydrophobicContact CE1-CG 4.09Å; F205-Y222 HydrophobicContact CZ-CD1 4.05Å; F205-Y222 HydrophobicContact CZ-CG 4.04Å |
| 206 | G | 78.4 | Confident | 79.7 | Confident | 9 Ų | 9 | 79 Ų | 79 | 9% | 0.093 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -87.7 | -150 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G202 G208 R209 | G202-G206 VanDerWaalsContact O-CA 3.3Å; G202-G206 WeakPolarHBondContact O-CA 3.45Å; G202-G206 PolarHBondContact O-N 3.34Å; G206-G208 PolarHBondContact O-N 3.08Å; G206-R209 WeakPolarHBondContact O-CB 3.38Å; G206-R209 PolarHBondContact O-N 3.41Å; G206-R209 VanDerWaalsContact O-N 3.17Å |
| 207 | S | 67.3 | Low | 79.6 | Confident | 129 Ų | 129 | 79.6 Ų | 79.6 | 90% | 0.902 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -17.6 | -170 | -42.5 | 0 | 0 | 0 | 0 | 115.8 | R209 | S207-R209 VanDerWaalsContact C-N 3.3Å; S207-R209 PolarHBondContact O-N 3.04Å |
| 208 | G | 61.4 | Low | 79.5 | Confident | 37 Ų | 37 | 86.2 Ų | 86.2 | 38% | 0.381 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 5.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115 | G206 E210 H211 | G206-G208 PolarHBondContact O-N 3.08Å; G208-E210 PolarHBondContact O-N 2.82Å; G208-H211 PolarHBondContact O-N 2.88Å |
| 209 | R | 65.4 | Low | 79.3 | Confident | 83 Ų | 83 | 87.5 Ų | 87.5 | 31% | 0.313 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -54.1 | -30.3 | -167 | -177.2 | 174.8 | 169.5 | -151 | -10.4 | 115.1 | E175 G206 S207 H211 N212 | E175-R209 VanDerWaalsContact CD-NH2 3.3Å; E175-R209 IonicContact OE1-CZ 2.86Å; E175-R209 IonicContact OE1-NH1 3.46Å; E175-R209 IonicContact OE1-NH2 2.96Å; E175-R209 PolarHBondContact OE1-NH2 2.84Å; E175-R209 IonicContact OE2-CZ 2.85Å; E175-R209 IonicContact OE2-NH1 2.76Å; E175-R209 PolarHBondContact OE2-NH1 3.14Å; E175-R209 IonicContact OE2-NH2 3.11Å; E175-R209 PolarHBondContact OE2-NH2 3.5Å; G206-R209 WeakPolarHBondContact O-CB 3.38Å; G206-R209 PolarHBondContact O-N 3.41Å; G206-R209 VanDerWaalsContact O-N 3.17Å; S207-R209 VanDerWaalsContact C-N 3.3Å; S207-R209 PolarHBondContact O-N 3.04Å; R209-H211 PolarHBondContact O-N 3.42Å; R209-N212 WeakPolarHBondContact CA-ND2 3.48Å; R209-N212 PolarHBondContact O-ND2 2.91Å |
| 210 | E | 58.5 | Low | 79 | Confident | 180 Ų | 180 | 89.2 Ų | 89.2 | 84% | 0.841 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -72.3 | -8.4 | 179 | -61.8 | -178.9 | -160.8 | 0 | 0 | 114 | G208 | G208-E210 PolarHBondContact O-N 2.82Š|
| 211 | H | 61.1 | Low | 79 | Confident | 157 Ų | 157 | 87.2 Ų | 87.2 | 73% | 0.727 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -120 | 15 | -178.9 | -59.1 | -13.9 | 0 | 0 | 0 | 112.8 | G208 R209 F213 | G208-H211 PolarHBondContact O-N 2.88Å; R209-H211 PolarHBondContact O-N 3.42Å; H211-F213 PolarHBondContact O-N 3.17Å |
| 212 | N | 64.5 | Low | 79 | Confident | 48 Ų | 48 | 88.6 Ų | 88.6 | 26% | 0.257 | 44% | 0.439 | S | S | . | . | trans | -67.5 | 129.9 | 178.1 | -78.6 | -30.8 | 0 | 0 | 0 | 112.9 | M204 R209 | M204-N212 PolarHBondContact O-ND2 3.37Å; M204-N212 PolarHBondContact O-OD1 3.28Å; R209-N212 WeakPolarHBondContact CA-ND2 3.48Å; R209-N212 PolarHBondContact O-ND2 2.91Å | ||
| 213 | F | 63.5 | Low | 79 | Confident | 199 Ų | 199 | 95.4 Ų | 95.4 | 87% | 0.873 | 47% | 0.47 | S | S | * | . | trans | -79.4 | -25.1 | 166.8 | -67.3 | -87 | 0 | 0 | 0 | 112.7 | H211 R215 | H211-F213 PolarHBondContact O-N 3.17Å; F213-R215 PolarHBondContact O-N 2.91Å; F213-R215 VanDerWaalsContact O-N 3.15Å | ||
| 214 | T | 72.2 | Confident | 79.1 | Confident | 55 Ų | 55 | 89 Ų | 89 | 34% | 0.337 | 45% | 0.448 | S | S | . | . | trans | -69.4 | 109 | 176.7 | -43.2 | 0 | 0 | 0 | 0 | 110.1 | M204 Y222 | M204-T214 HydrophobicContact CE-CG2 3.8Å; T214-Y222 HydrophobicContact CG2-CD1 4.18Å | ||
| 215 | R | 79.7 | Confident | 79.2 | Confident | 215 Ų | 215 | 87.9 Ų | 87.9 | 81% | 0.811 | 44% | 0.443 | S | S | * | . | trans | -93 | 145.8 | 175.8 | -64.3 | -178.9 | 180 | -172.8 | -1.5 | 110.2 | F213 | F213-R215 PolarHBondContact O-N 2.91Å; F213-R215 VanDerWaalsContact O-N 3.15Å | ||
| 216 | P | 87.4 | Confident | 79.4 | Confident | 56 Ų | 56 | 95.6 Ų | 95.6 | 36% | 0.364 | 48% | 0.479 | S | S | . | . | trans | -67.2 | 159.8 | 168.6 | 29.3 | -33.5 | 0 | 0 | 0 | 111.2 | G220 E221 Y222 | P216-G220 VanDerWaalsContact CB-C 3.47Å; P216-E221 CarbonylContact C-O 3.59Å; P216-E221 VanDerWaalsContact CA-O 3.32Å; P216-E221 WeakPolarHBondContact CA-O 3.43Å; P216-Y222 HydrophobicContact CB-CD1 4.49Å; P216-Y222 HydrophobicContact CB-CD2 4.11Å; P216-Y222 HydrophobicContact CB-CE1 4.22Å; P216-Y222 HydrophobicContact CB-CE2 3.82Å; P216-Y222 HydrophobicContact CB-CG 4.43Å; P216-Y222 HydrophobicContact CG-CE1 4.43Å; P216-Y222 HydrophobicContact CG-CE2 4.36Å | ||
| 217 | N | 89.3 | Confident | 80.2 | Confident | 66 Ų | 66 | 99.2 Ų | 99.2 | 35% | 0.353 | 52% | 0.516 | S | S | . | . | trans | -71 | -179.9 | 169.4 | 71.4 | 15.9 | 0 | 0 | 0 | 112 | K219 G220 E221 | N217-K219 PolarHBondContact O-N 3.49Å; N217-K219 WeakPolarHBondContact OD1-CA 3.3Å; N217-K219 WeakPolarHBondContact OD1-CB 3.39Å; N217-K219 PolarHBondContact OD1-N 3.03Å; N217-G220 PolarHBondContact O-N 3.17Å; N217-G220 PolarHBondContact OD1-N 3.08Å; N217-E221 VanDerWaalsContact CG-O 3.26Å; N217-E221 PolarHBondContact N-O 2.74Å; N217-E221 PolarHBondContact OD1-N 3.05Å; N217-E221 PolarHBondContact OD1-O 3.24Å | ||
| 218 | E | 90 | Very high | 81.6 | Confident | 210 Ų | 210 | 93.7 Ų | 93.7 | 98% | 0.981 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -17.8 | 179.6 | -59.2 | -177.6 | 160.7 | 0 | 0 | 114.8 | ||
| 219 | K | 88.7 | Confident | 83.3 | Confident | 146 Ų | 146 | 93.3 Ų | 93.3 | 64% | 0.635 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -1.7 | 178.9 | -60.8 | 172.3 | -179.5 | 169.6 | 0 | 113.4 | N217 E221 | N217-K219 PolarHBondContact O-N 3.49Å; N217-K219 WeakPolarHBondContact OD1-CA 3.3Å; N217-K219 WeakPolarHBondContact OD1-CB 3.39Å; N217-K219 PolarHBondContact OD1-N 3.03Å; K219-E221 HydrophobicContact CB-CG 3.89Å; K219-E221 WeakPolarHBondContact CD-OE2 3.37Å |
| 220 | G | 87.9 | Confident | 84.8 | Confident | 41 Ų | 41 | 90.1 Ų | 90.1 | 42% | 0.423 | 46% | 0.458 | S | S | . | . | S | Bend | trans | 85.3 | 13.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | P216 N217 | P216-G220 VanDerWaalsContact CB-C 3.47Å; N217-G220 PolarHBondContact O-N 3.17Å; N217-G220 PolarHBondContact OD1-N 3.08Å |
| 221 | E | 92.4 | Very high | 86.6 | Confident | 14 Ų | 14 | 83.5 Ų | 83.5 | 7% | 0.065 | 43% | 0.43 | C | S | . | . | trans | -106.1 | 146.5 | -172.8 | -42.6 | -178.4 | 110.5 | 0 | 0 | 111.1 | T178 I180 R185 P216 N217 K219 | T178-E221 HydrophobicContact CG2-CB 4.37Å; T178-E221 HydrophobicContact CG2-CG 4.26Å; T178-E221 WeakPolarHBondContact CG2-OE1 3.39Å; I180-E221 HydrophobicContact CD1-CB 4.06Å; I180-E221 HydrophobicContact CG1-CB 3.96Å; R185-E221 WeakPolarHBondContact CD-OE1 3.32Å; R185-E221 IonicContact CZ-OE1 2.7Å; R185-E221 IonicContact CZ-OE2 2.77Å; R185-E221 IonicContact NE-OE1 3.95Å; R185-E221 IonicContact NH1-OE1 2.81Å; R185-E221 PolarHBondContact NH1-OE1 3.34Å; R185-E221 IonicContact NH1-OE2 3.47Å; R185-E221 PolarHBondContact NH1-OE2 2.85Å; P216-E221 CarbonylContact C-O 3.59Å; P216-E221 VanDerWaalsContact CA-O 3.32Å; P216-E221 WeakPolarHBondContact CA-O 3.43Å; N217-E221 VanDerWaalsContact CG-O 3.26Å; N217-E221 PolarHBondContact N-O 2.74Å; N217-E221 PolarHBondContact OD1-N 3.05Å; N217-E221 PolarHBondContact OD1-O 3.24Å; K219-E221 HydrophobicContact CB-CG 3.89Å; K219-E221 WeakPolarHBondContact CD-OE2 3.37Å | ||
| 222 | Y | 92.4 | Very high | 88.3 | Confident | 28 Ų | 28 | 76 Ų | 76 | 11% | 0.11 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 115.3 | -175.4 | -63.2 | -107.6 | 0 | 0 | 0 | 109.9 | V177 T178 L179 I180 F205 T214 P216 | V177-Y222 HydrophobicContact CG1-CD2 3.47Å; V177-Y222 VanDerWaalsContact CG1-CD2 3.47Å; V177-Y222 HydrophobicContact CG1-CE2 3.78Å; V177-Y222 HydrophobicContact CG1-CG 4.32Å; V177-Y222 HydrophobicContact CG2-CE2 4.48Å; T178-Y222 PolarHBondContact O-N 2.71Å; L179-Y222 CarbonylContact C-O 3.57Å; L179-Y222 WeakPolarHBondContact CA-O 3.41Å; I180-Y222 PolarHBondContact N-O 2.72Å; F205-Y222 HydrophobicContact CE1-CD1 4.01Å; F205-Y222 HydrophobicContact CE1-CD2 4.31Å; F205-Y222 HydrophobicContact CE1-CE1 4.16Å; F205-Y222 HydrophobicContact CE1-CE2 4.47Å; F205-Y222 HydrophobicContact CE1-CG 4.09Å; F205-Y222 HydrophobicContact CZ-CD1 4.05Å; F205-Y222 HydrophobicContact CZ-CG 4.04Å; T214-Y222 HydrophobicContact CG2-CD1 4.18Å; P216-Y222 HydrophobicContact CB-CD1 4.49Å; P216-Y222 HydrophobicContact CB-CD2 4.11Å; P216-Y222 HydrophobicContact CB-CE1 4.22Å; P216-Y222 HydrophobicContact CB-CE2 3.82Å; P216-Y222 HydrophobicContact CB-CG 4.43Å; P216-Y222 HydrophobicContact CG-CE1 4.43Å; P216-Y222 HydrophobicContact CG-CE2 4.36Å |
| 223 | E | 92.6 | Very high | 89.9 | Confident | 147 Ų | 147 | 73.8 Ų | 73.8 | 69% | 0.687 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 123.4 | 169.7 | -168.2 | 157.6 | -145.9 | 0 | 0 | 109.1 | ||
| 224 | V | 92.1 | Very high | 91.4 | Very high | 16 Ų | 16 | 68.1 Ų | 68.1 | 10% | 0.097 | 36% | 0.356 | C | S | . | . | trans | -145.4 | 168.3 | -171.6 | -56.8 | 0 | 0 | 0 | 0 | 110.4 | L179 I180 V181 M204 E226 F233 | L179-V224 HydrophobicContact CB-CG2 4.07Å; L179-V224 HydrophobicContact CD1-CG2 4.48Å; L179-V224 HydrophobicContact CD2-CG1 4.42Å; L179-V224 HydrophobicContact CD2-CG2 4.4Å; I180-V224 PolarHBondContact O-N 2.71Å; I180-V224 VanDerWaalsContact O-N 3.07Å; V181-V224 HydrophobicContact CG2-CG2 3.61Å; M204-V224 HydrophobicContact CE-CG1 3.71Å; V224-E226 PolarHBondContact O-N 3.08Å; V224-F233 HydrophobicContact CG2-CZ 4.31Å | ||
| 225 | A | 91.4 | Very high | 92.6 | Very high | 2 Ų | 2 | 65.8 Ų | 65.8 | 2% | 0.017 | 34% | 0.343 | C | S | . | . | trans | 57.1 | 44.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | V181 G227 I228 F233 L263 | V181-A225 HydrophobicContact CG1-CB 3.85Å; V181-A225 HydrophobicContact CG2-CB 4.04Å; A225-G227 PolarHBondContact O-N 2.91Å; A225-I228 HydrophobicContact CB-CB 4.17Å; A225-I228 HydrophobicContact CB-CD1 3.99Å; A225-I228 HydrophobicContact CB-CG1 4.41Å; A225-I228 WeakPolarHBondContact O-CB 3.46Å; A225-I228 PolarHBondContact O-N 3.32Å; A225-F233 HydrophobicContact CB-CD2 3.86Å; A225-F233 HydrophobicContact CB-CE2 3.83Å; A225-L263 HydrophobicContact CB-CD2 4.32Å | ||
| 226 | E | 91.9 | Very high | 93.4 | Very high | 170 Ų | 170 | 55.6 Ų | 55.6 | 79% | 0.794 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 133.8 | 177.4 | -171.3 | -178.8 | 178.3 | 0 | 0 | 111 | V224 I228 Y262 | V224-E226 PolarHBondContact O-N 3.08Å; E226-I228 VanDerWaalsContact C-N 3.27Å; E226-I228 PolarHBondContact O-N 2.83Å; E226-Y262 PolarHBondContact N-OH 2.9Å |
| 227 | G | 93.7 | Very high | 93.8 | Very high | 85 Ų | 85 | 52.9 Ų | 52.9 | 88% | 0.876 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | -14.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | A225 | A225-G227 PolarHBondContact O-N 2.91Š|
| 228 | I | 97.4 | Very high | 94 | Very high | 13 Ų | 13 | 52.3 Ų | 52.3 | 7% | 0.067 | 28% | 0.284 | C | S | . | . | trans | -87.2 | 126.8 | 178.7 | -59.2 | 178 | 0 | 0 | 0 | 110 | V181 A225 E226 V232 F233 I236 A259 Y262 L263 | V181-I228 WeakPolarHBondContact CG1-O 3.47Å; A225-I228 HydrophobicContact CB-CB 4.17Å; A225-I228 HydrophobicContact CB-CD1 3.99Å; A225-I228 HydrophobicContact CB-CG1 4.41Å; A225-I228 WeakPolarHBondContact O-CB 3.46Å; A225-I228 PolarHBondContact O-N 3.32Å; E226-I228 VanDerWaalsContact C-N 3.27Å; E226-I228 PolarHBondContact O-N 2.83Å; I228-V232 HydrophobicContact CG2-CB 4.01Å; I228-V232 HydrophobicContact CG2-CG1 3.72Å; I228-F233 HydrophobicContact CG2-CB 4.34Å; I228-I236 HydrophobicContact CG2-CD1 4.42Å; I228-A259 HydrophobicContact CB-CB 4.49Å; I228-A259 HydrophobicContact CD1-CB 3.78Å; I228-A259 HydrophobicContact CG1-CB 3.85Å; I228-A259 HydrophobicContact CG2-CB 3.9Å; I228-Y262 HydrophobicContact CD1-CD1 3.82Å; I228-Y262 HydrophobicContact CD1-CE1 4.47Å; I228-Y262 HydrophobicContact CD1-CG 4.19Å; I228-L263 HydrophobicContact CD1-CD1 3.91Å; I228-L263 HydrophobicContact CD1-CD2 4.35Å; I228-L263 HydrophobicContact CD1-CG 3.79Å | ||
| 229 | S | 96.8 | Very high | 94.3 | Very high | 28 Ų | 28 | 43 Ų | 43 | 20% | 0.196 | 24% | 0.24 | C | C | . | . | trans | -67.4 | 146 | -179.9 | 70.3 | 0 | 0 | 0 | 0 | 112.4 | T231 V232 F233 E255 | S229-T231 PolarHBondContact O-N 3.17Å; S229-V232 PolarHBondContact O-N 3.48Å; S229-V232 VanDerWaalsContact OG-CG2 3.28Å; S229-V232 WeakPolarHBondContact OG-CG2 3.4Å; S229-V232 PolarHBondContact OG-N 3.1Å; S229-F233 PolarHBondContact O-N 3.31Å; S229-E255 PolarHBondContact OG-OE1 3.37Å | ||
| 230 | S | 96.3 | Very high | 94.6 | Very high | 16 Ų | 16 | 36.3 Ų | 36.3 | 11% | 0.112 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.4 | -25.2 | 179.1 | 52.6 | 0 | 0 | 0 | 0 | 113.3 | D182 T184 F186 R234 | D182-S230 WeakPolarHBondContact OD2-CB 3.42Å; D182-S230 PolarHBondContact OD2-N 2.88Å; D182-S230 PolarHBondContact OD2-OG 2.91Å; T184-S230 WeakPolarHBondContact OG1-CB 3.21Å; F186-S230 WeakPolarHBondContact CZ-O 3.37Å; S230-R234 WeakPolarHBondContact O-CB 3.4Å; S230-R234 PolarHBondContact O-N 3.21Å; S230-R234 PolarHBondContact O-NH1 2.64Å |
| 231 | T | 96.4 | Very high | 94.7 | Very high | 42 Ų | 42 | 38.3 Ų | 38.3 | 26% | 0.258 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -79.8 | -36.8 | 174.8 | -76.7 | 0 | 0 | 0 | 0 | 113.1 | S229 R234 P248 I251 | S229-T231 PolarHBondContact O-N 3.17Å; T231-R234 PolarHBondContact OG1-NH1 3.03Å; T231-R234 PolarHBondContact OG1-NH2 3.47Å; T231-P248 HydrophobicContact CG2-CB 3.68Å; T231-P248 HydrophobicContact CG2-CG 3.85Å; T231-I251 HydrophobicContact CG2-CD1 3.96Å; T231-I251 HydrophobicContact CG2-CG1 3.88Å |
| 232 | V | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.7 | -45.3 | 170.5 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | I228 S229 R234 A235 I236 I251 E255 L256 A259 | I228-V232 HydrophobicContact CG2-CB 4.01Å; I228-V232 HydrophobicContact CG2-CG1 3.72Å; S229-V232 PolarHBondContact O-N 3.48Å; S229-V232 VanDerWaalsContact OG-CG2 3.28Å; S229-V232 WeakPolarHBondContact OG-CG2 3.4Å; S229-V232 PolarHBondContact OG-N 3.1Å; V232-R234 VanDerWaalsContact C-N 3.31Å; V232-R234 PolarHBondContact O-N 2.81Å; V232-A235 PolarHBondContact O-N 2.88Å; V232-I236 HydrophobicContact CG1-CD1 3.59Å; V232-I236 PolarHBondContact O-N 3.47Å; V232-I236 VanDerWaalsContact O-N 3.08Å; V232-I251 HydrophobicContact CG2-CB 4.47Å; V232-I251 HydrophobicContact CG2-CD1 3.89Å; V232-I251 HydrophobicContact CG2-CG1 4.04Å; V232-I251 HydrophobicContact CG2-CG2 3.59Å; V232-E255 HydrophobicContact CG2-CG 4.23Å; V232-E255 WeakPolarHBondContact CG2-OE1 3.47Å; V232-L256 HydrophobicContact CG1-CD1 3.97Å; V232-A259 HydrophobicContact CG1-CB 3.52Å |
| 233 | F | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.6 | -38.5 | 179 | -164.4 | -101.4 | 0 | 0 | 0 | 113.1 | L179 V181 F186 L201 V224 A225 I228 S229 A235 I236 L237 L263 | L179-F233 HydrophobicContact CD1-CE1 4.2Å; L179-F233 HydrophobicContact CD1-CZ 3.87Å; V181-F233 HydrophobicContact CB-CB 4.45Å; V181-F233 HydrophobicContact CB-CD1 4.2Å; V181-F233 HydrophobicContact CB-CD2 4.47Å; V181-F233 HydrophobicContact CB-CG 4.12Å; V181-F233 HydrophobicContact CG1-CB 3.96Å; V181-F233 HydrophobicContact CG1-CD2 4.09Å; V181-F233 HydrophobicContact CG1-CG 3.94Å; V181-F233 HydrophobicContact CG2-CD1 3.76Å; V181-F233 HydrophobicContact CG2-CD2 3.92Å; V181-F233 HydrophobicContact CG2-CE1 3.72Å; V181-F233 HydrophobicContact CG2-CE2 3.89Å; V181-F233 HydrophobicContact CG2-CG 3.86Å; V181-F233 HydrophobicContact CG2-CZ 3.79Å; F186-F233 HydrophobicContact CB-CE1 4.3Å; F186-F233 AromaticContact CD1-CD1 3.92Å; F186-F233 HydrophobicContact CD1-CD1 3.92Å; F186-F233 HydrophobicContact CD1-CE1 4.32Å; F186-F233 AromaticContact CD2-CD1 3.86Å; F186-F233 HydrophobicContact CD2-CD1 3.86Å; F186-F233 HydrophobicContact CD2-CE1 4.15Å; F186-F233 AromaticContact CE1-CD1 3.96Å; F186-F233 HydrophobicContact CE1-CD1 3.96Å; F186-F233 AromaticContact CE2-CD1 3.89Å; F186-F233 HydrophobicContact CE2-CD1 3.89Å; F186-F233 AromaticContact CG-CD1 3.9Å; F186-F233 HydrophobicContact CG-CD1 3.9Å; F186-F233 HydrophobicContact CG-CE1 4.01Å; F186-F233 HydrophobicContact CZ-CB 4.39Å; F186-F233 AromaticContact CZ-CD1 3.95Å; F186-F233 HydrophobicContact CZ-CD1 3.95Å; L201-F233 HydrophobicContact CD1-CE2 3.9Å; L201-F233 HydrophobicContact CD1-CZ 3.91Å; V224-F233 HydrophobicContact CG2-CZ 4.31Å; A225-F233 HydrophobicContact CB-CD2 3.86Å; A225-F233 HydrophobicContact CB-CE2 3.83Å; I228-F233 HydrophobicContact CG2-CB 4.34Å; S229-F233 PolarHBondContact O-N 3.31Å; F233-A235 VanDerWaalsContact C-N 3.34Å; F233-A235 PolarHBondContact O-N 2.95Å; F233-I236 WeakPolarHBondContact O-CB 3.35Å; F233-I236 PolarHBondContact O-N 3.32Å; F233-L237 HydrophobicContact CD1-CD1 4.08Å; F233-L237 HydrophobicContact CD1-CG 4.22Å; F233-L237 HydrophobicContact CE1-CD1 3.88Å; F233-L237 HydrophobicContact CE1-CD2 4.02Å; F233-L237 HydrophobicContact CE1-CG 3.96Å; F233-L237 HydrophobicContact CZ-CD2 4.28Å; F233-L237 PolarHBondContact O-N 2.99Å; F233-L263 HydrophobicContact CE2-CD1 4.44Å |
| 234 | R | 96.1 | Very high | 95.1 | Very high | 80 Ų | 80 | 36.1 Ų | 36.1 | 30% | 0.302 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -55.8 | -45 | 171.9 | 173.1 | 165.6 | 68.3 | -97.3 | -2.7 | 112.7 | Y154 F186 S230 T231 V232 I236 L237 | Y154-R234 WeakPolarHBondContact OH-CG 2.99Å; F186-R234 HydrophobicContact CE1-CB 4.27Å; S230-R234 WeakPolarHBondContact O-CB 3.4Å; S230-R234 PolarHBondContact O-N 3.21Å; S230-R234 PolarHBondContact O-NH1 2.64Å; T231-R234 PolarHBondContact OG1-NH1 3.03Å; T231-R234 PolarHBondContact OG1-NH2 3.47Å; V232-R234 VanDerWaalsContact C-N 3.31Å; V232-R234 PolarHBondContact O-N 2.81Å; R234-I236 VanDerWaalsContact C-N 3.31Å; R234-I236 PolarHBondContact O-N 2.87Å; R234-L237 PolarHBondContact O-N 3.4Å |
| 235 | A | 96.5 | Very high | 95.3 | Very high | 7 Ų | 7 | 35.3 Ų | 35.3 | 6% | 0.058 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71 | -27.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | V232 F233 D238 I245 P248 | V232-A235 PolarHBondContact O-N 2.88Å; F233-A235 VanDerWaalsContact C-N 3.34Å; F233-A235 PolarHBondContact O-N 2.95Å; A235-D238 PolarHBondContact O-N 3.07Å; A235-I245 HydrophobicContact CB-CG2 3.93Å; A235-P248 HydrophobicContact CB-CG 3.85Å |
| 236 | I | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.7 | -34.4 | 172.9 | -73.2 | 153.7 | 0 | 0 | 0 | 111.7 | I228 V232 F233 R234 D238 Y239 Y240 I245 A259 L263 I265 | I228-I236 HydrophobicContact CG2-CD1 4.42Å; V232-I236 HydrophobicContact CG1-CD1 3.59Å; V232-I236 PolarHBondContact O-N 3.47Å; V232-I236 VanDerWaalsContact O-N 3.08Å; F233-I236 WeakPolarHBondContact O-CB 3.35Å; F233-I236 PolarHBondContact O-N 3.32Å; R234-I236 VanDerWaalsContact C-N 3.31Å; R234-I236 PolarHBondContact O-N 2.87Å; I236-D238 PolarHBondContact O-N 2.82Å; I236-Y239 WeakPolarHBondContact O-CB 3.35Å; I236-Y239 PolarHBondContact O-N 2.98Å; I236-Y239 VanDerWaalsContact O-N 3.08Å; I236-Y240 HydrophobicContact CG2-CD2 4.45Å; I236-Y240 HydrophobicContact CG2-CE2 3.78Å; I236-Y240 WeakPolarHBondContact O-CD2 3.18Å; I236-I245 HydrophobicContact CG1-CD1 3.9Å; I236-A259 HydrophobicContact CD1-CB 4.15Å; I236-L263 HydrophobicContact CD1-CD1 3.9Å; I236-L263 HydrophobicContact CG2-CD1 3.79Å; I236-I265 HydrophobicContact CG1-CD1 4.36Å; I236-I265 HydrophobicContact CG2-CD1 3.64Å |
| 237 | L | 95.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.4 | -28.4 | 173.9 | -68.9 | 176.2 | 0 | 0 | 0 | 113.1 | Y154 F186 V188 I192 F193 F233 R234 Y239 | Y154-L237 HydrophobicContact CD1-CB 4.2Å; Y154-L237 HydrophobicContact CD1-CD1 4.28Å; Y154-L237 HydrophobicContact CD2-CD1 3.92Å; Y154-L237 HydrophobicContact CE1-CB 3.92Å; Y154-L237 HydrophobicContact CE1-CD1 3.92Å; Y154-L237 HydrophobicContact CE2-CD1 3.55Å; Y154-L237 HydrophobicContact CG-CD1 4.29Å; F186-L237 HydrophobicContact CB-CD1 4.15Å; F186-L237 HydrophobicContact CD1-CD1 3.52Å; F186-L237 HydrophobicContact CE1-CD1 4.31Å; F186-L237 HydrophobicContact CG-CD1 4.15Å; V188-L237 HydrophobicContact CG1-CD1 4.06Å; V188-L237 HydrophobicContact CG1-CD2 4.15Å; I192-L237 HydrophobicContact CD1-CD2 4.33Å; F193-L237 HydrophobicContact CE1-CD2 4.01Å; F193-L237 HydrophobicContact CZ-CD2 4.02Å; F233-L237 HydrophobicContact CD1-CD1 4.08Å; F233-L237 HydrophobicContact CD1-CG 4.22Å; F233-L237 HydrophobicContact CE1-CD1 3.88Å; F233-L237 HydrophobicContact CE1-CD2 4.02Å; F233-L237 HydrophobicContact CE1-CG 3.96Å; F233-L237 HydrophobicContact CZ-CD2 4.28Å; F233-L237 PolarHBondContact O-N 2.99Å; R234-L237 PolarHBondContact O-N 3.4Å; L237-Y239 VanDerWaalsContact C-N 3.34Å |
| 238 | D | 93.6 | Very high | 96 | Very high | 54 Ų | 54 | 33.4 Ų | 33.4 | 29% | 0.289 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -72.1 | -25.1 | 172.6 | -76.9 | -24.1 | 0 | 0 | 0 | 112.9 | A235 I236 K241 S242 | A235-D238 PolarHBondContact O-N 3.07Å; I236-D238 PolarHBondContact O-N 2.82Å; D238-K241 PolarHBondContact O-N 3.06Å; D238-S242 WeakPolarHBondContact O-CB 3.42Å; D238-S242 PolarHBondContact O-N 2.85Å; D238-S242 PolarHBondContact O-OG 3.01Å |
| 239 | Y | 96.5 | Very high | 95.8 | Very high | 13 Ų | 13 | 37.9 Ų | 37.9 | 5% | 0.051 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.7 | -40.5 | 173.2 | 166.5 | -95.2 | 0 | 0 | 0 | 112 | Q196 T199 I236 L237 K241 S242 G243 I245 I265 T271 | Q196-Y239 HydrophobicContact CB-CE1 4.07Å; Q196-Y239 HydrophobicContact CG-CD1 4.24Å; Q196-Y239 HydrophobicContact CG-CE1 3.57Å; Q196-Y239 PolarHBondContact OE1-OH 2.73Å; T199-Y239 HydrophobicContact CG2-CE1 4.2Å; I236-Y239 WeakPolarHBondContact O-CB 3.35Å; I236-Y239 PolarHBondContact O-N 2.98Å; I236-Y239 VanDerWaalsContact O-N 3.08Å; L237-Y239 VanDerWaalsContact C-N 3.34Å; Y239-K241 PolarHBondContact O-N 2.62Å; Y239-S242 PolarHBondContact O-N 2.64Å; Y239-G243 WeakPolarHBondContact CD2-O 3.43Å; Y239-G243 WeakPolarHBondContact CE2-O 3.14Å; Y239-G243 WeakPolarHBondContact O-CA 3.28Å; Y239-G243 PolarHBondContact O-N 3.42Å; Y239-I245 HydrophobicContact CD2-CG1 4.21Å; Y239-I245 HydrophobicContact CG-CG1 4.1Å; Y239-I265 HydrophobicContact CD1-CD1 4.27Å; Y239-I265 HydrophobicContact CD1-CG1 4.49Å; Y239-I265 HydrophobicContact CD1-CG2 4.22Å; Y239-I265 HydrophobicContact CD2-CG2 4.44Å; Y239-I265 HydrophobicContact CE1-CD1 4.48Å; Y239-I265 HydrophobicContact CE1-CG1 4.2Å; Y239-I265 HydrophobicContact CE1-CG2 3.84Å; Y239-I265 HydrophobicContact CE2-CG2 4.1Å; Y239-T271 HydrophobicContact CD2-CG2 3.69Å; Y239-T271 HydrophobicContact CE2-CG2 3.48Å; Y239-T271 VanDerWaalsContact CE2-CG2 3.48Å |
| 240 | Y | 94.8 | Very high | 95.7 | Very high | 6 Ų | 6 | 40.6 Ų | 40.6 | 2% | 0.024 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.9 | -20.9 | 173.8 | -66.9 | -79 | 0 | 0 | 0 | 113.4 | F193 Q196 T199 L201 I236 | F193-Y240 AromaticContact CD1-CD1 3.64Å; F193-Y240 HydrophobicContact CD1-CD1 3.64Å; F193-Y240 AromaticContact CD1-CD2 4Å; F193-Y240 HydrophobicContact CD1-CD2 4Å; F193-Y240 AromaticContact CD1-CE1 3.74Å; F193-Y240 HydrophobicContact CD1-CE1 3.74Å; F193-Y240 HydrophobicContact CD1-CE2 4.12Å; F193-Y240 AromaticContact CD1-CG 3.77Å; F193-Y240 HydrophobicContact CD1-CG 3.77Å; F193-Y240 HydrophobicContact CE1-CD1 4.39Å; F193-Y240 AromaticContact CE1-CD2 3.92Å; F193-Y240 HydrophobicContact CE1-CD2 3.92Å; F193-Y240 HydrophobicContact CE1-CE2 4.08Å; F193-Y240 HydrophobicContact CE1-CG 4.11Å; Q196-Y240 HydrophobicContact CB-CD1 3.8Å; Q196-Y240 HydrophobicContact CB-CE1 3.76Å; Q196-Y240 HydrophobicContact CG-CD1 4.16Å; Q196-Y240 HydrophobicContact CG-CE1 4.49Å; T199-Y240 WeakPolarHBondContact CB-OH 3.41Å; T199-Y240 HydrophobicContact CG2-CE1 4.23Å; T199-Y240 WeakPolarHBondContact OG1-CE1 3.37Å; T199-Y240 PolarHBondContact OG1-OH 2.88Å; T199-Y240 VanDerWaalsContact OG1-OH 3.08Å; L201-Y240 HydrophobicContact CB-CE1 4.47Å; L201-Y240 HydrophobicContact CD1-CE2 3.94Å; I236-Y240 HydrophobicContact CG2-CD2 4.45Å; I236-Y240 HydrophobicContact CG2-CE2 3.78Å; I236-Y240 WeakPolarHBondContact O-CD2 3.18Å |
| 241 | K | 90.8 | Very high | 95.7 | Very high | 84 Ų | 84 | 41.3 Ų | 41.3 | 37% | 0.365 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -91.7 | -27.5 | 174.9 | -61.9 | -171.8 | -175.7 | -169.8 | 0 | 114.2 | D155 D238 Y239 | D155-K241 PolarHBondContact O-NZ 2.92Å; D238-K241 PolarHBondContact O-N 3.06Å; Y239-K241 PolarHBondContact O-N 2.62Å |
| 242 | S | 93.1 | Very high | 95.7 | Very high | 70 Ų | 70 | 42 Ų | 42 | 49% | 0.49 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -133.9 | -9.2 | -164.6 | 69.9 | 0 | 0 | 0 | 0 | 116.3 | D238 Y239 I244 | D238-S242 WeakPolarHBondContact O-CB 3.42Å; D238-S242 PolarHBondContact O-N 2.85Å; D238-S242 PolarHBondContact O-OG 3.01Å; Y239-S242 PolarHBondContact O-N 2.64Å; S242-I244 PolarHBondContact O-N 2.92Å; S242-I244 PolarHBondContact OG-N 3.3Å; S242-I244 PolarHBondContact OG-O 3.41Å |
| 243 | G | 94.9 | Very high | 95.7 | Very high | 26 Ų | 26 | 42.4 Ų | 42.4 | 27% | 0.268 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 71.1 | 7.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y239 | Y239-G243 WeakPolarHBondContact CD2-O 3.43Å; Y239-G243 WeakPolarHBondContact CE2-O 3.14Å; Y239-G243 WeakPolarHBondContact O-CA 3.28Å; Y239-G243 PolarHBondContact O-N 3.42Å |
| 244 | I | 96.3 | Very high | 95.7 | Very high | 46 Ų | 46 | 45 Ų | 45 | 24% | 0.236 | 26% | 0.259 | C | S | . | . | trans | -131.6 | 128.8 | -174.2 | -62.7 | 176.7 | 0 | 0 | 0 | 111.2 | S242 R246 T271 K273 | S242-I244 PolarHBondContact O-N 2.92Å; S242-I244 PolarHBondContact OG-N 3.3Å; S242-I244 PolarHBondContact OG-O 3.41Å; I244-R246 HydrophobicContact CG2-CG 4.24Å; I244-T271 CarbonylContact C-O 3.55Å; I244-T271 WeakPolarHBondContact CA-O 3.48Å; I244-K273 HydrophobicContact CG2-CG 3.56Å | ||
| 245 | I | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 128.2 | 162.5 | -54.7 | 175.2 | 0 | 0 | 0 | 108.9 | A235 I236 Y239 L256 C260 I265 T271 I272 K273 | A235-I245 HydrophobicContact CB-CG2 3.93Å; I236-I245 HydrophobicContact CG1-CD1 3.9Å; Y239-I245 HydrophobicContact CD2-CG1 4.21Å; Y239-I245 HydrophobicContact CG-CG1 4.1Å; I245-L256 HydrophobicContact CD1-CD1 4.35Å; I245-L256 HydrophobicContact CG2-CD1 3.95Å; I245-L256 HydrophobicContact CG2-CD2 4.06Å; I245-C260 VanDerWaalsContact CD1-SG 3.57Å; I245-I265 HydrophobicContact CD1-CG2 4.15Å; I245-T271 PolarHBondContact N-O 2.81Å; I245-I272 HydrophobicContact CB-CD1 4.18Å; I245-I272 HydrophobicContact CD1-CD1 4.08Å; I245-K273 PolarHBondContact O-N 3.04Å |
| 246 | R | 97.2 | Very high | 95.8 | Very high | 168 Ų | 168 | 43.7 Ų | 43.7 | 63% | 0.634 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 110.7 | 168 | -62.4 | 178 | -175.1 | -85.3 | -3 | 108 | I244 P248 K273 | I244-R246 HydrophobicContact CG2-CG 4.24Å; R246-P248 WeakPolarHBondContact O-CD 3.31Å; R246-K273 CarbonylContact C-O 3.6Å; R246-K273 WeakPolarHBondContact CA-O 3.49Å |
| 247 | C | 97.3 | Very high | 95.9 | Very high | 21 Ų | 21 | 45.5 Ų | 45.5 | 14% | 0.142 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 122.7 | -179.6 | -172.4 | 0 | 0 | 0 | 0 | 110.1 | I253 L256 K273 C274 | C247-I253 HydrophobicContact CB-CD1 4.15Å; C247-L256 HydrophobicContact CB-CD2 3.74Å; C247-K273 PolarHBondContact N-O 2.86Å; C247-C274 HydrophobicContact CB-CB 4.02Å |
| 248 | P | 96.3 | Very high | 95.9 | Very high | 27 Ų | 27 | 52.1 Ų | 52.1 | 18% | 0.175 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 156.8 | -177.9 | -19.2 | 31.6 | 0 | 0 | 0 | 113.5 | T231 A235 R246 G250 I251 | T231-P248 HydrophobicContact CG2-CB 3.68Å; T231-P248 HydrophobicContact CG2-CG 3.85Å; A235-P248 HydrophobicContact CB-CG 3.85Å; R246-P248 WeakPolarHBondContact O-CD 3.31Å; P248-G250 PolarHBondContact O-N 3.44Å; P248-I251 HydrophobicContact CB-CB 4.43Å; P248-I251 HydrophobicContact CB-CG1 3.78Å; P248-I251 HydrophobicContact CG-CG1 3.97Å; P248-I251 PolarHBondContact O-N 3.28Å |
| 249 | D | 93.7 | Very high | 96.2 | Very high | 107 Ų | 107 | 49.8 Ų | 49.8 | 57% | 0.572 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | 127.4 | 174.9 | -74.8 | -7.3 | 0 | 0 | 0 | 111.1 | R275 | D249-R275 IonicContact OD1-CZ 3.29Å; D249-R275 IonicContact OD1-NE 3.79Å; D249-R275 PolarHBondContact OD1-NE 3.35Å; D249-R275 IonicContact OD1-NH1 3.19Å; D249-R275 PolarHBondContact OD1-NH1 3.02Å; D249-R275 IonicContact OD1-NH2 3.1Å; D249-R275 PolarHBondContact OD1-NH2 3.07Å; D249-R275 IonicContact OD2-CZ 2.67Å; D249-R275 IonicContact OD2-NH1 2.77Å; D249-R275 PolarHBondContact OD2-NH1 3.4Å; D249-R275 IonicContact OD2-NH2 3.79Å; D249-R275 PolarHBondContact OD2-NH2 3.13Å |
| 250 | G | 93.5 | Very high | 96.2 | Very high | 85 Ų | 85 | 49.1 Ų | 49.1 | 88% | 0.876 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.1 | -12.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | P248 | P248-G250 PolarHBondContact O-N 3.44Š|
| 251 | I | 96.9 | Very high | 96.3 | Very high | 32 Ų | 32 | 52.8 Ų | 52.8 | 16% | 0.164 | 30% | 0.298 | C | S | . | . | trans | -82.5 | 142.2 | 174.6 | -62.8 | -55.4 | 0 | 0 | 0 | 110.1 | T231 V232 P248 L256 | T231-I251 HydrophobicContact CG2-CD1 3.96Å; T231-I251 HydrophobicContact CG2-CG1 3.88Å; V232-I251 HydrophobicContact CG2-CB 4.47Å; V232-I251 HydrophobicContact CG2-CD1 3.89Å; V232-I251 HydrophobicContact CG2-CG1 4.04Å; V232-I251 HydrophobicContact CG2-CG2 3.59Å; P248-I251 HydrophobicContact CB-CB 4.43Å; P248-I251 HydrophobicContact CB-CG1 3.78Å; P248-I251 HydrophobicContact CG-CG1 3.97Å; P248-I251 PolarHBondContact O-N 3.28Å; I251-L256 HydrophobicContact CG2-CB 4.4Å | ||
| 252 | S | 97.2 | Very high | 96.6 | Very high | 57 Ų | 57 | 53.4 Ų | 53.4 | 40% | 0.399 | 30% | 0.299 | S | S | . | . | trans | -86.4 | 150.5 | 175.8 | 79.4 | 0 | 0 | 0 | 0 | 111.8 | E255 L256 | S252-E255 PolarHBondContact O-N 2.94Å; S252-E255 WeakPolarHBondContact OG-CB 3.29Å; S252-E255 PolarHBondContact OG-N 3.23Å; S252-E255 VanDerWaalsContact OG-N 3.1Å; S252-L256 PolarHBondContact O-N 3.39Å; S252-L256 VanDerWaalsContact O-N 3.11Å | ||
| 253 | I | 97.6 | Very high | 96.8 | Very high | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.036 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.1 | -37.9 | 176.3 | -53.4 | -58.6 | 0 | 0 | 0 | 112.4 | C247 L256 R257 F267 C274 A279 E283 | C247-I253 HydrophobicContact CB-CD1 4.15Å; I253-L256 PolarHBondContact O-N 2.87Å; I253-R257 WeakPolarHBondContact O-CB 3.44Å; I253-R257 PolarHBondContact O-N 2.7Å; I253-F267 HydrophobicContact CG2-CE2 4.43Å; I253-F267 HydrophobicContact CG2-CZ 3.67Å; I253-C274 HydrophobicContact CD1-CB 3.56Å; I253-A279 HydrophobicContact CB-CB 3.82Å; I253-A279 HydrophobicContact CG1-CB 3.56Å; I253-E283 HydrophobicContact CG2-CG 3.96Å |
| 254 | P | 97 | Very high | 96.9 | Very high | 54 Ų | 54 | 52.2 Ų | 52.2 | 35% | 0.351 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 170.7 | -27.2 | 36.5 | 0 | 0 | 0 | 114.2 | L256 R257 E258 | P254-L256 VanDerWaalsContact C-N 3.3Å; P254-L256 PolarHBondContact O-N 3.31Å; P254-R257 WeakPolarHBondContact O-CA 3.38Å; P254-R257 WeakPolarHBondContact O-CB 3.33Å; P254-R257 PolarHBondContact O-N 3.45Å; P254-E258 WeakPolarHBondContact O-CG 3.48Å; P254-E258 PolarHBondContact O-N 3.22Å |
| 255 | E | 97.4 | Very high | 96.9 | Very high | 61 Ų | 61 | 50.2 Ų | 50.2 | 29% | 0.285 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.3 | -42.9 | 175 | 179.6 | -167 | 170.1 | 0 | 0 | 111.2 | S229 V232 S252 R257 A259 | S229-E255 PolarHBondContact OG-OE1 3.37Å; V232-E255 HydrophobicContact CG2-CG 4.23Å; V232-E255 WeakPolarHBondContact CG2-OE1 3.47Å; S252-E255 PolarHBondContact O-N 2.94Å; S252-E255 WeakPolarHBondContact OG-CB 3.29Å; S252-E255 PolarHBondContact OG-N 3.23Å; S252-E255 VanDerWaalsContact OG-N 3.1Å; E255-R257 VanDerWaalsContact C-N 3.34Å; E255-A259 WeakPolarHBondContact O-CB 3.4Å; E255-A259 PolarHBondContact O-N 2.86Å; E255-A259 VanDerWaalsContact O-N 3.15Å |
| 256 | L | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.1 | -34 | 175.4 | 178.8 | 59.2 | 0 | 0 | 0 | 112.2 | V232 I245 C247 I251 S252 I253 P254 C260 F267 I272 | V232-L256 HydrophobicContact CG1-CD1 3.97Å; I245-L256 HydrophobicContact CD1-CD1 4.35Å; I245-L256 HydrophobicContact CG2-CD1 3.95Å; I245-L256 HydrophobicContact CG2-CD2 4.06Å; C247-L256 HydrophobicContact CB-CD2 3.74Å; I251-L256 HydrophobicContact CG2-CB 4.4Å; S252-L256 PolarHBondContact O-N 3.39Å; S252-L256 VanDerWaalsContact O-N 3.11Å; I253-L256 PolarHBondContact O-N 2.87Å; P254-L256 VanDerWaalsContact C-N 3.3Å; P254-L256 PolarHBondContact O-N 3.31Å; L256-C260 PolarHBondContact O-N 3.01Å; L256-C260 PolarHBondContact O-SG 3.35Å; L256-F267 HydrophobicContact CG-CE2 4.49Å; L256-I272 HydrophobicContact CD2-CD1 4.34Å; L256-I272 HydrophobicContact CD2-CG2 4.29Å |
| 257 | R | 97.8 | Very high | 96.8 | Very high | 37 Ų | 37 | 46.8 Ų | 46.8 | 14% | 0.14 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.2 | -51.8 | 175.8 | 172.3 | 56.6 | -176.4 | -97.8 | 6.4 | 111.1 | I253 P254 E255 A259 C260 D261 F267 D287 | I253-R257 WeakPolarHBondContact O-CB 3.44Å; I253-R257 PolarHBondContact O-N 2.7Å; P254-R257 WeakPolarHBondContact O-CA 3.38Å; P254-R257 WeakPolarHBondContact O-CB 3.33Å; P254-R257 PolarHBondContact O-N 3.45Å; E255-R257 VanDerWaalsContact C-N 3.34Å; R257-A259 VanDerWaalsContact C-N 3.26Å; R257-A259 PolarHBondContact O-N 2.85Å; R257-C260 WeakPolarHBondContact O-CB 3.47Å; R257-C260 PolarHBondContact O-N 3.49Å; R257-D261 IonicContact CZ-OD1 2.69Å; R257-D261 IonicContact CZ-OD2 2.71Å; R257-D261 VanDerWaalsContact NE-CG 3.26Å; R257-D261 IonicContact NE-OD1 2.73Å; R257-D261 PolarHBondContact NE-OD1 3.24Å; R257-D261 IonicContact NE-OD2 3.61Å; R257-D261 PolarHBondContact NE-OD2 2.71Å; R257-D261 IonicContact NH2-OD1 3.48Å; R257-D261 IonicContact NH2-OD2 3.73Å; R257-D261 PolarHBondContact O-N 3.31Å; R257-F267 HydrophobicContact CB-CD2 4.09Å; R257-F267 HydrophobicContact CB-CE2 3.82Å; R257-F267 HydrophobicContact CB-CZ 4.13Å; R257-F267 VanDerWaalsContact CD-CG 3.42Å; R257-F267 HydrophobicContact CG-CD2 4.5Å; R257-D287 IonicContact CZ-OD1 3.05Å; R257-D287 IonicContact CZ-OD2 3.16Å; R257-D287 IonicContact NH1-OD1 3.29Å; R257-D287 PolarHBondContact NH1-OD1 3.31Å; R257-D287 IonicContact NH1-OD2 2.71Å; R257-D287 PolarHBondContact NH1-OD2 2.98Å; R257-D287 IonicContact NH2-OD1 2.69Å; R257-D287 PolarHBondContact NH2-OD1 3.02Å; R257-D287 IonicContact NH2-OD2 2.98Å |
| 258 | E | 97.5 | Very high | 96.6 | Very high | 140 Ų | 140 | 47.7 Ų | 47.7 | 65% | 0.654 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -55.2 | -42.3 | 176.6 | -70.2 | 174.9 | -178.8 | 0 | 0 | 111.5 | P254 C260 D261 Y262 | P254-E258 WeakPolarHBondContact O-CG 3.48Å; P254-E258 PolarHBondContact O-N 3.22Å; E258-C260 PolarHBondContact O-N 3.19Å; E258-D261 PolarHBondContact O-N 3.44Å; E258-Y262 WeakPolarHBondContact O-CB 3.27Å; E258-Y262 PolarHBondContact O-N 3.48Å |
| 259 | A | 98 | Very high | 96.4 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 3% | 0.033 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.6 | -33.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | I228 V232 I236 E255 R257 L263 | I228-A259 HydrophobicContact CB-CB 4.49Å; I228-A259 HydrophobicContact CD1-CB 3.78Å; I228-A259 HydrophobicContact CG1-CB 3.85Å; I228-A259 HydrophobicContact CG2-CB 3.9Å; V232-A259 HydrophobicContact CG1-CB 3.52Å; I236-A259 HydrophobicContact CD1-CB 4.15Å; E255-A259 WeakPolarHBondContact O-CB 3.4Å; E255-A259 PolarHBondContact O-N 2.86Å; E255-A259 VanDerWaalsContact O-N 3.15Å; R257-A259 VanDerWaalsContact C-N 3.26Å; R257-A259 PolarHBondContact O-N 2.85Å; A259-L263 WeakPolarHBondContact O-CG 3.47Å; A259-L263 PolarHBondContact O-N 3.07Å |
| 260 | C | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -72 | -45.3 | 174.9 | -68.4 | 0 | 0 | 0 | 0 | 111.5 | I245 L256 R257 E258 L263 C264 I265 F267 | I245-C260 VanDerWaalsContact CD1-SG 3.57Å; L256-C260 PolarHBondContact O-N 3.01Å; L256-C260 PolarHBondContact O-SG 3.35Å; R257-C260 WeakPolarHBondContact O-CB 3.47Å; R257-C260 PolarHBondContact O-N 3.49Å; E258-C260 PolarHBondContact O-N 3.19Å; C260-L263 CarbonylContact O-C 3.55Å; C260-L263 PolarHBondContact O-N 2.81Å; C260-C264 PolarHBondContact O-N 3.3Å; C260-I265 HydrophobicContact CB-CB 4.24Å; C260-I265 PolarHBondContact O-N 2.98Å; C260-F267 HydrophobicContact CB-CB 4.39Å; C260-F267 HydrophobicContact CB-CD2 4.1Å |
| 261 | D | 96.9 | Very high | 96.6 | Very high | 83 Ų | 83 | 49 Ų | 49 | 44% | 0.444 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 178 | -71.3 | -21 | 0 | 0 | 0 | 110.8 | R257 E258 L263 C264 | R257-D261 IonicContact CZ-OD1 2.69Å; R257-D261 IonicContact CZ-OD2 2.71Å; R257-D261 VanDerWaalsContact NE-CG 3.26Å; R257-D261 IonicContact NE-OD1 2.73Å; R257-D261 PolarHBondContact NE-OD1 3.24Å; R257-D261 IonicContact NE-OD2 3.61Å; R257-D261 PolarHBondContact NE-OD2 2.71Å; R257-D261 IonicContact NH2-OD1 3.48Å; R257-D261 IonicContact NH2-OD2 3.73Å; R257-D261 PolarHBondContact O-N 3.31Å; E258-D261 PolarHBondContact O-N 3.44Å; D261-L263 PolarHBondContact O-N 2.82Å; D261-C264 PolarHBondContact O-N 2.95Å |
| 262 | Y | 97.1 | Very high | 96.6 | Very high | 96 Ų | 96 | 47.6 Ų | 47.6 | 38% | 0.376 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57 | -47.8 | 175.3 | -180 | -77 | 0 | 0 | 0 | 112.1 | M200 E226 I228 E258 C264 | M200-Y262 HydrophobicContact CE-CD1 3.98Å; M200-Y262 HydrophobicContact CE-CE1 3.74Å; M200-Y262 WeakPolarHBondContact CE-O 3.48Å; M200-Y262 HydrophobicContact SD-CD1 4.19Å; M200-Y262 HydrophobicContact SD-CE1 3.69Å; E226-Y262 PolarHBondContact N-OH 2.9Å; I228-Y262 HydrophobicContact CD1-CD1 3.82Å; I228-Y262 HydrophobicContact CD1-CE1 4.47Å; I228-Y262 HydrophobicContact CD1-CG 4.19Å; E258-Y262 WeakPolarHBondContact O-CB 3.27Å; E258-Y262 PolarHBondContact O-N 3.48Å; Y262-C264 PolarHBondContact O-N 2.92Å |
| 263 | L | 96.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 4.3 | -178.3 | -65.6 | 176.9 | 0 | 0 | 0 | 114 | M200 L201 A225 I228 F233 I236 A259 C260 D261 I265 | M200-L263 HydrophobicContact CB-CD2 4.33Å; M200-L263 WeakPolarHBondContact CB-O 3.48Å; M200-L263 PolarHBondContact N-O 3.36Å; M200-L263 HydrophobicContact SD-CD2 3.86Å; L201-L263 HydrophobicContact CG-CD2 4.32Å; A225-L263 HydrophobicContact CB-CD2 4.32Å; I228-L263 HydrophobicContact CD1-CD1 3.91Å; I228-L263 HydrophobicContact CD1-CD2 4.35Å; I228-L263 HydrophobicContact CD1-CG 3.79Å; F233-L263 HydrophobicContact CE2-CD1 4.44Å; I236-L263 HydrophobicContact CD1-CD1 3.9Å; I236-L263 HydrophobicContact CG2-CD1 3.79Å; A259-L263 WeakPolarHBondContact O-CG 3.47Å; A259-L263 PolarHBondContact O-N 3.07Å; C260-L263 CarbonylContact O-C 3.55Å; C260-L263 PolarHBondContact O-N 2.81Å; D261-L263 PolarHBondContact O-N 2.82Å; L263-I265 VanDerWaalsContact C-N 3.32Å; L263-I265 HydrophobicContact CB-CD1 3.94Å; L263-I265 HydrophobicContact CB-CG1 4.1Å; L263-I265 HydrophobicContact CD1-CD1 4.28Å; L263-I265 PolarHBondContact O-N 3Å |
| 264 | C | 96.5 | Very high | 96.5 | Very high | 71 Ų | 71 | 50 Ų | 50 | 48% | 0.48 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 44.3 | -175.1 | -50.2 | 0 | 0 | 0 | 0 | 112.9 | C260 D261 Y262 | C260-C264 PolarHBondContact O-N 3.3Å; D261-C264 PolarHBondContact O-N 2.95Å; Y262-C264 PolarHBondContact O-N 2.92Å |
| 265 | I | 97.1 | Very high | 96.4 | Very high | 5 Ų | 5 | 57.1 Ų | 57.1 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | trans | -99.6 | 133.4 | 173.8 | -62.2 | 169.5 | 0 | 0 | 0 | 108.8 | T199 I236 Y239 I245 C260 L263 F267 T271 | T199-I265 HydrophobicContact CG2-CG1 3.77Å; I236-I265 HydrophobicContact CG1-CD1 4.36Å; I236-I265 HydrophobicContact CG2-CD1 3.64Å; Y239-I265 HydrophobicContact CD1-CD1 4.27Å; Y239-I265 HydrophobicContact CD1-CG1 4.49Å; Y239-I265 HydrophobicContact CD1-CG2 4.22Å; Y239-I265 HydrophobicContact CD2-CG2 4.44Å; Y239-I265 HydrophobicContact CE1-CD1 4.48Å; Y239-I265 HydrophobicContact CE1-CG1 4.2Å; Y239-I265 HydrophobicContact CE1-CG2 3.84Å; Y239-I265 HydrophobicContact CE2-CG2 4.1Å; I245-I265 HydrophobicContact CD1-CG2 4.15Å; C260-I265 HydrophobicContact CB-CB 4.24Å; C260-I265 PolarHBondContact O-N 2.98Å; L263-I265 VanDerWaalsContact C-N 3.32Å; L263-I265 HydrophobicContact CB-CD1 3.94Å; L263-I265 HydrophobicContact CB-CG1 4.1Å; L263-I265 HydrophobicContact CD1-CD1 4.28Å; L263-I265 PolarHBondContact O-N 3Å; I265-F267 PolarHBondContact O-N 2.63Å; I265-T271 HydrophobicContact CG2-CG2 4.18Å | ||
| 266 | S | 95.1 | Very high | 96.3 | Very high | 76 Ų | 76 | 58.4 Ų | 58.4 | 53% | 0.531 | 29% | 0.285 | S | S | . | . | trans | -62.4 | 118.2 | 178.5 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | D268 T271 | S266-D268 WeakPolarHBondContact CB-OD2 3.37Å; S266-D268 PolarHBondContact O-N 3.31Å; S266-T271 WeakPolarHBondContact O-CB 3.38Å; S266-T271 WeakPolarHBondContact O-CG2 3.45Å; S266-T271 PolarHBondContact O-OG1 3.01Å | ||
| 267 | F | 96.9 | Very high | 96.2 | Very high | 20 Ų | 20 | 63.5 Ų | 63.5 | 9% | 0.088 | 31% | 0.312 | C | S | . | . | trans | -90.7 | 92 | 176.1 | -168.3 | -86.8 | 0 | 0 | 0 | 110.4 | I253 L256 R257 C260 I265 I272 L280 E283 L284 | I253-F267 HydrophobicContact CG2-CE2 4.43Å; I253-F267 HydrophobicContact CG2-CZ 3.67Å; L256-F267 HydrophobicContact CG-CE2 4.49Å; R257-F267 HydrophobicContact CB-CD2 4.09Å; R257-F267 HydrophobicContact CB-CE2 3.82Å; R257-F267 HydrophobicContact CB-CZ 4.13Å; R257-F267 VanDerWaalsContact CD-CG 3.42Å; R257-F267 HydrophobicContact CG-CD2 4.5Å; C260-F267 HydrophobicContact CB-CB 4.39Å; C260-F267 HydrophobicContact CB-CD2 4.1Å; I265-F267 PolarHBondContact O-N 2.63Å; F267-I272 HydrophobicContact CD2-CD1 3.77Å; F267-I272 HydrophobicContact CD2-CG1 3.78Å; F267-I272 HydrophobicContact CE2-CD1 3.94Å; F267-I272 HydrophobicContact CE2-CG1 3.85Å; F267-I272 HydrophobicContact CE2-CG2 4.49Å; F267-I272 HydrophobicContact CG-CG1 4.17Å; F267-I272 HydrophobicContact CZ-CG1 4.28Å; F267-L280 HydrophobicContact CE1-CD1 3.71Å; F267-L280 HydrophobicContact CZ-CD1 3.82Å; F267-E283 HydrophobicContact CE1-CB 3.7Å; F267-E283 HydrophobicContact CE1-CG 4.27Å; F267-E283 HydrophobicContact CZ-CB 4.26Å; F267-E283 HydrophobicContact CZ-CG 4.34Å; F267-L284 HydrophobicContact CD1-CD2 4.1Å; F267-L284 HydrophobicContact CE1-CD2 4.36Å | ||
| 268 | D | 94.5 | Very high | 96.2 | Very high | 39 Ų | 39 | 66.2 Ų | 66.2 | 21% | 0.209 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -144.8 | 168.6 | -174.8 | 70.1 | 80 | 0 | 0 | 0 | 112.7 | S266 S270 T271 I272 | S266-D268 WeakPolarHBondContact CB-OD2 3.37Å; S266-D268 PolarHBondContact O-N 3.31Å; D268-S270 PolarHBondContact O-N 2.97Å; D268-S270 VanDerWaalsContact OD1-CA 3.24Å; D268-S270 WeakPolarHBondContact OD1-CA 3.15Å; D268-S270 WeakPolarHBondContact OD1-CB 3.49Å; D268-S270 PolarHBondContact OD1-N 3.41Å; D268-S270 PolarHBondContact OD1-OG 3.05Å; D268-T271 PolarHBondContact O-N 3.06Å; D268-T271 PolarHBondContact OD1-N 2.89Å; D268-T271 WeakPolarHBondContact OD2-CB 3.45Å; D268-T271 PolarHBondContact OD2-OG1 3.29Å; D268-I272 WeakPolarHBondContact O-CB 3.41Å; D268-I272 WeakPolarHBondContact O-CG1 3.46Å; D268-I272 PolarHBondContact O-N 3.07Å |
| 269 | Y | 92.4 | Very high | 96.1 | Very high | 177 Ų | 177 | 60.6 Ų | 60.6 | 69% | 0.694 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -21 | -177.5 | 84.1 | -82.5 | 0 | 0 | 0 | 114.4 | K273 | Y269-K273 PolarHBondContact O-NZ 3.01Š|
| 270 | S | 94.6 | Very high | 96 | Very high | 61 Ų | 61 | 60.9 Ų | 60.9 | 43% | 0.427 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -45.2 | 177 | 82.3 | 0 | 0 | 0 | 0 | 110 | D268 K273 | D268-S270 PolarHBondContact O-N 2.97Å; D268-S270 VanDerWaalsContact OD1-CA 3.24Å; D268-S270 WeakPolarHBondContact OD1-CA 3.15Å; D268-S270 WeakPolarHBondContact OD1-CB 3.49Å; D268-S270 PolarHBondContact OD1-N 3.41Å; D268-S270 PolarHBondContact OD1-OG 3.05Å; S270-K273 WeakPolarHBondContact O-CE 3.42Å; S270-K273 PolarHBondContact O-NZ 3.5Å |
| 271 | T | 95.9 | Very high | 96 | Very high | 9 Ų | 9 | 64.9 Ų | 64.9 | 6% | 0.055 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -46.6 | 178.8 | -59.3 | 0 | 0 | 0 | 0 | 113.2 | Y239 I244 I245 I265 S266 D268 | Y239-T271 HydrophobicContact CD2-CG2 3.69Å; Y239-T271 HydrophobicContact CE2-CG2 3.48Å; Y239-T271 VanDerWaalsContact CE2-CG2 3.48Å; I244-T271 CarbonylContact C-O 3.55Å; I244-T271 WeakPolarHBondContact CA-O 3.48Å; I245-T271 PolarHBondContact N-O 2.81Å; I265-T271 HydrophobicContact CG2-CG2 4.18Å; S266-T271 WeakPolarHBondContact O-CB 3.38Å; S266-T271 WeakPolarHBondContact O-CG2 3.45Å; S266-T271 PolarHBondContact O-OG1 3.01Å; D268-T271 PolarHBondContact O-N 3.06Å; D268-T271 PolarHBondContact OD1-N 2.89Å; D268-T271 WeakPolarHBondContact OD2-CB 3.45Å; D268-T271 PolarHBondContact OD2-OG1 3.29Å |
| 272 | I | 97.4 | Very high | 96 | Very high | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 133 | -172.6 | -52.2 | -62.5 | 0 | 0 | 0 | 111.1 | I245 L256 F267 D268 L280 | I245-I272 HydrophobicContact CB-CD1 4.18Å; I245-I272 HydrophobicContact CD1-CD1 4.08Å; L256-I272 HydrophobicContact CD2-CD1 4.34Å; L256-I272 HydrophobicContact CD2-CG2 4.29Å; F267-I272 HydrophobicContact CD2-CD1 3.77Å; F267-I272 HydrophobicContact CD2-CG1 3.78Å; F267-I272 HydrophobicContact CE2-CD1 3.94Å; F267-I272 HydrophobicContact CE2-CG1 3.85Å; F267-I272 HydrophobicContact CE2-CG2 4.49Å; F267-I272 HydrophobicContact CG-CG1 4.17Å; F267-I272 HydrophobicContact CZ-CG1 4.28Å; D268-I272 WeakPolarHBondContact O-CB 3.41Å; D268-I272 WeakPolarHBondContact O-CG1 3.46Å; D268-I272 PolarHBondContact O-N 3.07Å; I272-L280 HydrophobicContact CB-CD1 4.28Å; I272-L280 HydrophobicContact CG2-CD1 4.02Å |
| 273 | K | 96.2 | Very high | 96 | Very high | 78 Ų | 78 | 61.7 Ų | 61.7 | 34% | 0.339 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 127.6 | 165.9 | -48.1 | -62.7 | 160.4 | -157.6 | 0 | 109.9 | I244 I245 R246 C247 Y269 S270 | I244-K273 HydrophobicContact CG2-CG 3.56Å; I245-K273 PolarHBondContact O-N 3.04Å; R246-K273 CarbonylContact C-O 3.6Å; R246-K273 WeakPolarHBondContact CA-O 3.49Å; C247-K273 PolarHBondContact N-O 2.86Å; Y269-K273 PolarHBondContact O-NZ 3.01Å; S270-K273 WeakPolarHBondContact O-CE 3.42Å; S270-K273 PolarHBondContact O-NZ 3.5Å |
| 274 | C | 95.8 | Very high | 96.1 | Very high | 38 Ų | 38 | 64 Ų | 64 | 26% | 0.257 | 33% | 0.333 | S | S | . | . | trans | -134.2 | 173.3 | -179 | 61.5 | 0 | 0 | 0 | 0 | 111.8 | C247 I253 D276 | C247-C274 HydrophobicContact CB-CB 4.02Å; I253-C274 HydrophobicContact CD1-CB 3.56Å; C274-D276 PolarHBondContact SG-O 3.15Å | ||
| 275 | R | 95.2 | Very high | 96.1 | Very high | 203 Ų | 203 | 63.8 Ų | 63.8 | 77% | 0.766 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -91.2 | -37.4 | 165.1 | -63.5 | -174.4 | -172.4 | 153.9 | 15.6 | 112.1 | D249 L277 | D249-R275 IonicContact OD1-CZ 3.29Å; D249-R275 IonicContact OD1-NE 3.79Å; D249-R275 PolarHBondContact OD1-NE 3.35Å; D249-R275 IonicContact OD1-NH1 3.19Å; D249-R275 PolarHBondContact OD1-NH1 3.02Å; D249-R275 IonicContact OD1-NH2 3.1Å; D249-R275 PolarHBondContact OD1-NH2 3.07Å; D249-R275 IonicContact OD2-CZ 2.67Å; D249-R275 IonicContact OD2-NH1 2.77Å; D249-R275 PolarHBondContact OD2-NH1 3.4Å; D249-R275 IonicContact OD2-NH2 3.79Å; D249-R275 PolarHBondContact OD2-NH2 3.13Å; R275-L277 PolarHBondContact O-N 3.45Å; R275-L277 VanDerWaalsContact O-N 3.17Å |
| 276 | D | 95.7 | Very high | 96.2 | Very high | 87 Ų | 87 | 65.1 Ų | 65.1 | 47% | 0.465 | 34% | 0.339 | S | S | . | . | trans | -82.8 | 90.3 | 175.3 | -167.6 | -18.1 | 0 | 0 | 0 | 110.8 | C274 S278 A279 L280 | C274-D276 PolarHBondContact SG-O 3.15Å; D276-S278 VanDerWaalsContact C-N 3.27Å; D276-S278 WeakPolarHBondContact OD1-CA 3.4Å; D276-S278 VanDerWaalsContact OD1-CB 3.29Å; D276-S278 WeakPolarHBondContact OD1-CB 3.33Å; D276-S278 PolarHBondContact OD1-N 3.38Å; D276-A279 HydrophobicContact CB-CB 4.27Å; D276-A279 PolarHBondContact OD1-N 3.36Å; D276-L280 PolarHBondContact O-N 3.31Å | ||
| 277 | L | 95.6 | Very high | 96.3 | Very high | 107 Ų | 107 | 63.2 Ų | 63.2 | 56% | 0.56 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -67.4 | -27.3 | 172.7 | -176 | 61.1 | 0 | 0 | 0 | 112.1 | R275 L280 M281 | R275-L277 PolarHBondContact O-N 3.45Å; R275-L277 VanDerWaalsContact O-N 3.17Å; L277-L280 PolarHBondContact O-N 3.21Å; L277-M281 HydrophobicContact CD1-CE 3.94Å; L277-M281 HydrophobicContact CD1-CG 4.02Å; L277-M281 HydrophobicContact CD1-SD 4.42Å; L277-M281 HydrophobicContact CG-CG 4.09Å; L277-M281 WeakPolarHBondContact O-CB 3.33Å; L277-M281 WeakPolarHBondContact O-CG 3.43Å; L277-M281 PolarHBondContact O-N 2.8Å |
| 278 | S | 96.7 | Very high | 96.3 | Very high | 94 Ų | 94 | 63.7 Ų | 63.7 | 66% | 0.657 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -68.7 | -43.5 | -178.7 | -165 | 0 | 0 | 0 | 0 | 111 | D276 M281 H282 | D276-S278 VanDerWaalsContact C-N 3.27Å; D276-S278 WeakPolarHBondContact OD1-CA 3.4Å; D276-S278 VanDerWaalsContact OD1-CB 3.29Å; D276-S278 WeakPolarHBondContact OD1-CB 3.33Å; D276-S278 PolarHBondContact OD1-N 3.38Å; S278-M281 PolarHBondContact O-N 2.9Å; S278-H282 PolarHBondContact O-N 3.1Å |
| 279 | A | 96.4 | Very high | 96.5 | Very high | 23 Ų | 23 | 61.9 Ų | 61.9 | 19% | 0.19 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69 | -37.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I253 D276 H282 E283 | I253-A279 HydrophobicContact CB-CB 3.82Å; I253-A279 HydrophobicContact CG1-CB 3.56Å; D276-A279 HydrophobicContact CB-CB 4.27Å; D276-A279 PolarHBondContact OD1-N 3.36Å; A279-H282 WeakPolarHBondContact O-CB 3.47Å; A279-H282 PolarHBondContact O-N 3.29Å; A279-E283 PolarHBondContact O-N 3.15Å; A279-E283 VanDerWaalsContact O-N 3.13Å |
| 280 | L | 96.7 | Very high | 96.8 | Very high | 9 Ų | 9 | 57 Ų | 57 | 5% | 0.047 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 172.8 | 179.5 | 62.5 | 0 | 0 | 0 | 112.7 | F267 I272 D276 L277 H282 L284 | F267-L280 HydrophobicContact CE1-CD1 3.71Å; F267-L280 HydrophobicContact CZ-CD1 3.82Å; I272-L280 HydrophobicContact CB-CD1 4.28Å; I272-L280 HydrophobicContact CG2-CD1 4.02Å; D276-L280 PolarHBondContact O-N 3.31Å; L277-L280 PolarHBondContact O-N 3.21Å; L280-H282 VanDerWaalsContact C-N 3.28Å; L280-H282 PolarHBondContact O-N 3.11Å; L280-L284 HydrophobicContact CD1-CD1 4.04Å; L280-L284 HydrophobicContact CD1-CG 4.29Å; L280-L284 HydrophobicContact CG-CD1 4.13Å; L280-L284 WeakPolarHBondContact O-CG 3.32Å; L280-L284 PolarHBondContact O-N 2.86Å; L280-L284 VanDerWaalsContact O-N 3.17Å |
| 281 | M | 97.4 | Very high | 97 | Very high | 84 Ų | 84 | 60 Ų | 60 | 41% | 0.414 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.7 | -26.9 | 174.4 | -67 | -63.1 | 94.3 | 0 | 0 | 112.3 | L277 S278 L284 S285 | L277-M281 HydrophobicContact CD1-CE 3.94Å; L277-M281 HydrophobicContact CD1-CG 4.02Å; L277-M281 HydrophobicContact CD1-SD 4.42Å; L277-M281 HydrophobicContact CG-CG 4.09Å; L277-M281 WeakPolarHBondContact O-CB 3.33Å; L277-M281 WeakPolarHBondContact O-CG 3.43Å; L277-M281 PolarHBondContact O-N 2.8Å; S278-M281 PolarHBondContact O-N 2.9Å; M281-L284 HydrophobicContact CE-CD1 3.87Å; M281-S285 WeakPolarHBondContact O-CB 3.48Å; M281-S285 PolarHBondContact O-N 3.07Å; M281-S285 PolarHBondContact O-OG 2.77Å |
| 282 | H | 96.9 | Very high | 97.1 | Very high | 86 Ų | 86 | 64.1 Ų | 64.1 | 40% | 0.398 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.9 | -53.7 | 173.1 | -174.7 | 67.5 | 0 | 0 | 0 | 111.2 | S278 A279 L280 L284 S285 N286 | S278-H282 PolarHBondContact O-N 3.1Å; A279-H282 WeakPolarHBondContact O-CB 3.47Å; A279-H282 PolarHBondContact O-N 3.29Å; L280-H282 VanDerWaalsContact C-N 3.28Å; L280-H282 PolarHBondContact O-N 3.11Å; H282-L284 PolarHBondContact O-N 3.35Å; H282-S285 CarbonylContact O-C 3.59Å; H282-S285 WeakPolarHBondContact O-CA 3.36Å; H282-S285 WeakPolarHBondContact O-CB 3.43Å; H282-S285 PolarHBondContact O-N 2.91Å; H282-N286 PolarHBondContact CD2-ND2 3.37Å; H282-N286 VanDerWaalsContact CD2-ND2 3.3Å; H282-N286 PolarHBondContact NE2-ND2 3.32Å; H282-N286 VanDerWaalsContact O-CG 3.3Å; H282-N286 PolarHBondContact O-N 3.02Å; H282-N286 PolarHBondContact O-ND2 3.5Å |
| 283 | E | 97.4 | Very high | 97.2 | Very high | 27 Ų | 27 | 64 Ų | 64 | 13% | 0.126 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.7 | -48.4 | 178.5 | -62.1 | -43.1 | 126.5 | 0 | 0 | 112.3 | I253 F267 A279 S285 N286 D287 | I253-E283 HydrophobicContact CG2-CG 3.96Å; F267-E283 HydrophobicContact CE1-CB 3.7Å; F267-E283 HydrophobicContact CE1-CG 4.27Å; F267-E283 HydrophobicContact CZ-CB 4.26Å; F267-E283 HydrophobicContact CZ-CG 4.34Å; A279-E283 PolarHBondContact O-N 3.15Å; A279-E283 VanDerWaalsContact O-N 3.13Å; E283-S285 VanDerWaalsContact C-N 3.25Å; E283-S285 PolarHBondContact O-N 3.15Å; E283-N286 WeakPolarHBondContact O-CB 3.2Å; E283-N286 PolarHBondContact O-N 2.88Å; E283-D287 PolarHBondContact O-N 3.32Å |
| 284 | L | 97.4 | Very high | 97.3 | Very high | 47 Ų | 47 | 62.5 Ų | 62.5 | 25% | 0.246 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.6 | -25 | 178.4 | -63.6 | 176.9 | 0 | 0 | 0 | 112.8 | F267 L280 M281 H282 G288 | F267-L284 HydrophobicContact CD1-CD2 4.1Å; F267-L284 HydrophobicContact CE1-CD2 4.36Å; L280-L284 HydrophobicContact CD1-CD1 4.04Å; L280-L284 HydrophobicContact CD1-CG 4.29Å; L280-L284 HydrophobicContact CG-CD1 4.13Å; L280-L284 WeakPolarHBondContact O-CG 3.32Å; L280-L284 PolarHBondContact O-N 2.86Å; L280-L284 VanDerWaalsContact O-N 3.17Å; M281-L284 HydrophobicContact CE-CD1 3.87Å; H282-L284 PolarHBondContact O-N 3.35Å; L284-G288 PolarHBondContact O-N 3.45Å |
| 285 | S | 97.8 | Very high | 97.4 | Very high | 68 Ų | 68 | 66.5 Ų | 66.5 | 48% | 0.476 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -75.5 | -33.3 | 170.5 | -63 | 0 | 0 | 0 | 0 | 112.2 | M281 H282 E283 G288 A289 | M281-S285 WeakPolarHBondContact O-CB 3.48Å; M281-S285 PolarHBondContact O-N 3.07Å; M281-S285 PolarHBondContact O-OG 2.77Å; H282-S285 CarbonylContact O-C 3.59Å; H282-S285 WeakPolarHBondContact O-CA 3.36Å; H282-S285 WeakPolarHBondContact O-CB 3.43Å; H282-S285 PolarHBondContact O-N 2.91Å; E283-S285 VanDerWaalsContact C-N 3.25Å; E283-S285 PolarHBondContact O-N 3.15Å; S285-G288 PolarHBondContact O-N 2.87Å; S285-A289 WeakPolarHBondContact O-CB 3.14Å; S285-A289 PolarHBondContact O-N 2.77Å |
| 286 | N | 97.8 | Very high | 97.6 | Very high | 32 Ų | 32 | 58 Ų | 58 | 17% | 0.171 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.6 | -43.9 | 174.9 | -66.9 | -25.8 | 0 | 0 | 0 | 110.4 | H282 E283 A289 R290 V362 | H282-N286 PolarHBondContact CD2-ND2 3.37Å; H282-N286 VanDerWaalsContact CD2-ND2 3.3Å; H282-N286 PolarHBondContact NE2-ND2 3.32Å; H282-N286 VanDerWaalsContact O-CG 3.3Å; H282-N286 PolarHBondContact O-N 3.02Å; H282-N286 PolarHBondContact O-ND2 3.5Å; E283-N286 WeakPolarHBondContact O-CB 3.2Å; E283-N286 PolarHBondContact O-N 2.88Å; N286-A289 PolarHBondContact O-N 3.4Å; N286-R290 WeakPolarHBondContact O-CB 3.38Å; N286-R290 PolarHBondContact O-N 2.87Å; N286-V362 HydrophobicContact CB-CG2 4.19Å |
| 287 | D | 97.3 | Very high | 97.7 | Very high | 37 Ų | 37 | 54.3 Ų | 54.3 | 20% | 0.198 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60 | -50 | 170.4 | -65.5 | -49.3 | 0 | 0 | 0 | 111.4 | R257 E283 A289 R290 H291 | R257-D287 IonicContact CZ-OD1 3.05Å; R257-D287 IonicContact CZ-OD2 3.16Å; R257-D287 IonicContact NH1-OD1 3.29Å; R257-D287 PolarHBondContact NH1-OD1 3.31Å; R257-D287 IonicContact NH1-OD2 2.71Å; R257-D287 PolarHBondContact NH1-OD2 2.98Å; R257-D287 IonicContact NH2-OD1 2.69Å; R257-D287 PolarHBondContact NH2-OD1 3.02Å; R257-D287 IonicContact NH2-OD2 2.98Å; E283-D287 PolarHBondContact O-N 3.32Å; D287-A289 VanDerWaalsContact C-N 3.27Å; D287-A289 PolarHBondContact O-N 2.79Å; D287-R290 WeakPolarHBondContact O-CB 3.37Å; D287-R290 PolarHBondContact O-N 3.39Å; D287-R290 VanDerWaalsContact O-N 3.15Å; D287-H291 PolarHBondContact O-N 3.3Å; D287-H291 PolarHBondContact O-ND1 2.98Å |
| 288 | G | 97.8 | Very high | 97.8 | Very high | 29 Ų | 29 | 52.7 Ų | 52.7 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.1 | -32.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L284 S285 Q292 | L284-G288 PolarHBondContact O-N 3.45Å; S285-G288 PolarHBondContact O-N 2.87Å; G288-Q292 WeakPolarHBondContact O-CB 3.39Å; G288-Q292 WeakPolarHBondContact O-CG 3.15Å; G288-Q292 PolarHBondContact O-N 3.25Å; G288-Q292 PolarHBondContact O-NE2 3.31Å |
| 289 | A | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 2% | 0.017 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -74.6 | -37.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S285 N286 D287 F293 F353 N359 V362 | S285-A289 WeakPolarHBondContact O-CB 3.14Å; S285-A289 PolarHBondContact O-N 2.77Å; N286-A289 PolarHBondContact O-N 3.4Å; D287-A289 VanDerWaalsContact C-N 3.27Å; D287-A289 PolarHBondContact O-N 2.79Å; A289-F293 WeakPolarHBondContact O-CB 3.35Å; A289-F293 PolarHBondContact O-N 3.46Å; A289-F353 HydrophobicContact CB-CE2 3.92Å; A289-F353 HydrophobicContact CB-CZ 4.28Å; A289-F353 WeakPolarHBondContact O-CE2 3.21Å; A289-N359 WeakPolarHBondContact CB-OD1 3.47Å; A289-V362 HydrophobicContact CB-CG1 4.25Å |
| 290 | R | 98.6 | Very high | 97.9 | Very high | 74 Ų | 74 | 55.2 Ų | 55.2 | 28% | 0.279 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.9 | -55.5 | 175.4 | -177.5 | -179.8 | 178.8 | 110.3 | 16.1 | 111.1 | N286 D287 Q292 F293 E294 V362 V366 E369 | N286-R290 WeakPolarHBondContact O-CB 3.38Å; N286-R290 PolarHBondContact O-N 2.87Å; D287-R290 WeakPolarHBondContact O-CB 3.37Å; D287-R290 PolarHBondContact O-N 3.39Å; D287-R290 VanDerWaalsContact O-N 3.15Å; R290-Q292 VanDerWaalsContact C-N 3.31Å; R290-Q292 PolarHBondContact O-N 3.09Å; R290-F293 PolarHBondContact O-N 3.17Å; R290-F293 VanDerWaalsContact O-N 3.1Å; R290-E294 HydrophobicContact CG-CG 4.46Å; R290-E294 IonicContact CZ-OE1 3.48Å; R290-E294 VanDerWaalsContact CZ-OE1 3.23Å; R290-E294 IonicContact NE-OE1 3.49Å; R290-E294 PolarHBondContact NE-OE1 3.33Å; R290-E294 IonicContact NH2-OE1 4Å; R290-E294 PolarHBondContact NH2-OE1 2.86Å; R290-E294 WeakPolarHBondContact O-CG 3.34Å; R290-E294 PolarHBondContact O-N 3.46Å; R290-V362 HydrophobicContact CB-CG1 3.85Å; R290-V366 HydrophobicContact CG-CG2 3.81Å; R290-E369 IonicContact CZ-OE1 3.55Å; R290-E369 IonicContact CZ-OE2 2.64Å; R290-E369 VanDerWaalsContact NH1-CD 3.29Å; R290-E369 IonicContact NH1-OE1 2.88Å; R290-E369 PolarHBondContact NH1-OE1 3.42Å; R290-E369 IonicContact NH1-OE2 3.03Å; R290-E369 PolarHBondContact NH1-OE2 3.05Å; R290-E369 IonicContact NH2-OE2 3.06Å; R290-E369 PolarHBondContact NH2-OE2 3.09Å |
| 291 | H | 98.3 | Very high | 98 | Very high | 125 Ų | 125 | 54.8 Ų | 54.8 | 58% | 0.579 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -60.8 | -39.4 | -179 | -66.7 | 90.1 | 0 | 0 | 0 | 112.2 | D287 F295 | D287-H291 PolarHBondContact O-N 3.3Å; D287-H291 PolarHBondContact O-ND1 2.98Å; H291-F295 PolarHBondContact O-N 2.77Å |
| 292 | Q | 98.3 | Very high | 98 | Very high | 94 Ų | 94 | 53.8 Ų | 53.8 | 44% | 0.439 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 173.6 | -81.1 | 174.2 | 86.6 | 0 | 0 | 112.3 | G288 R290 F295 Y296 F353 | G288-Q292 WeakPolarHBondContact O-CB 3.39Å; G288-Q292 WeakPolarHBondContact O-CG 3.15Å; G288-Q292 PolarHBondContact O-N 3.25Å; G288-Q292 PolarHBondContact O-NE2 3.31Å; R290-Q292 VanDerWaalsContact C-N 3.31Å; R290-Q292 PolarHBondContact O-N 3.09Å; Q292-F295 PolarHBondContact O-N 3.15Å; Q292-Y296 HydrophobicContact CB-CE2 4.18Å; Q292-Y296 WeakPolarHBondContact O-CD2 3.48Å; Q292-Y296 PolarHBondContact O-N 3.14Å; Q292-F353 HydrophobicContact CB-CD2 4.34Å; Q292-F353 HydrophobicContact CB-CE2 4.18Å |
| 293 | F | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.8 | -36.3 | 179.1 | -175.5 | -106.7 | 0 | 0 | 0 | 112.7 | A289 R290 F295 Y296 L297 F353 F354 A363 V366 L367 | A289-F293 WeakPolarHBondContact O-CB 3.35Å; A289-F293 PolarHBondContact O-N 3.46Å; R290-F293 PolarHBondContact O-N 3.17Å; R290-F293 VanDerWaalsContact O-N 3.1Å; F293-F295 VanDerWaalsContact C-N 3.32Å; F293-F295 PolarHBondContact O-N 3.02Å; F293-Y296 CarbonylContact O-C 3.6Å; F293-Y296 PolarHBondContact O-N 3.14Å; F293-L297 HydrophobicContact CE1-CB 4.22Å; F293-L297 HydrophobicContact CE1-CD2 4.17Å; F293-L297 HydrophobicContact CZ-CB 4.29Å; F293-L297 HydrophobicContact CZ-CD1 4.46Å; F293-L297 WeakPolarHBondContact O-CB 3.14Å; F293-L297 PolarHBondContact O-N 2.85Å; F293-F353 HydrophobicContact CB-CE1 4.01Å; F293-F353 HydrophobicContact CB-CE2 4.38Å; F293-F353 HydrophobicContact CB-CZ 3.66Å; F293-F353 AromaticContact CD2-CE1 3.85Å; F293-F353 HydrophobicContact CD2-CE1 3.85Å; F293-F353 HydrophobicContact CD2-CZ 4.38Å; F293-F353 HydrophobicContact CG-CE1 4.23Å; F293-F353 HydrophobicContact CG-CZ 4.34Å; F293-F354 HydrophobicContact CD2-CE1 4.3Å; F293-F354 HydrophobicContact CD2-CZ 4.12Å; F293-F354 HydrophobicContact CE2-CE1 4.14Å; F293-F354 AromaticContact CE2-CZ 3.66Å; F293-F354 HydrophobicContact CE2-CZ 3.66Å; F293-A363 HydrophobicContact CB-CB 4.38Å; F293-A363 HydrophobicContact CD1-CB 3.61Å; F293-A363 HydrophobicContact CD2-CB 3.68Å; F293-A363 HydrophobicContact CE1-CB 3.77Å; F293-A363 HydrophobicContact CE2-CB 3.87Å; F293-A363 HydrophobicContact CG-CB 3.56Å; F293-A363 HydrophobicContact CZ-CB 3.9Å; F293-V366 HydrophobicContact CD1-CB 3.79Å; F293-V366 HydrophobicContact CD1-CG1 3.87Å; F293-V366 HydrophobicContact CD1-CG2 4.18Å; F293-V366 HydrophobicContact CE1-CB 4.06Å; F293-V366 HydrophobicContact CE1-CG1 4.05Å; F293-L367 HydrophobicContact CE1-CD2 4.06Å; F293-L367 HydrophobicContact CE1-CG 3.87Å; F293-L367 HydrophobicContact CZ-CD1 4.22Å; F293-L367 HydrophobicContact CZ-CD2 4Å; F293-L367 HydrophobicContact CZ-CG 3.99Å |
| 294 | E | 98.6 | Very high | 98.1 | Very high | 46 Ų | 46 | 53.5 Ų | 53.5 | 22% | 0.215 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 173.5 | -74.2 | 174 | 164 | 0 | 0 | 110.8 | R290 L297 E298 V366 | R290-E294 HydrophobicContact CG-CG 4.46Å; R290-E294 IonicContact CZ-OE1 3.48Å; R290-E294 VanDerWaalsContact CZ-OE1 3.23Å; R290-E294 IonicContact NE-OE1 3.49Å; R290-E294 PolarHBondContact NE-OE1 3.33Å; R290-E294 IonicContact NH2-OE1 4Å; R290-E294 PolarHBondContact NH2-OE1 2.86Å; R290-E294 WeakPolarHBondContact O-CG 3.34Å; R290-E294 PolarHBondContact O-N 3.46Å; E294-L297 PolarHBondContact O-N 3.44Å; E294-E298 WeakPolarHBondContact O-CG 3.19Å; E294-E298 PolarHBondContact O-N 3.2Å; E294-V366 HydrophobicContact CG-CG1 3.76Å; E294-V366 HydrophobicContact CG-CG2 4.33Å |
| 295 | F | 98.4 | Very high | 98.1 | Very high | 122 Ų | 122 | 52.1 Ų | 52.1 | 54% | 0.535 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.4 | -48.5 | 171.3 | 177 | -99.6 | 0 | 0 | 0 | 112.8 | H291 Q292 F293 L297 E298 E299 | H291-F295 PolarHBondContact O-N 2.77Å; Q292-F295 PolarHBondContact O-N 3.15Å; F293-F295 VanDerWaalsContact C-N 3.32Å; F293-F295 PolarHBondContact O-N 3.02Å; F295-L297 PolarHBondContact O-N 3.13Å; F295-E298 PolarHBondContact O-N 2.57Å; F295-E299 HydrophobicContact CD2-CG 4Å; F295-E299 HydrophobicContact CE1-CG 4.24Å; F295-E299 HydrophobicContact CE2-CG 3.65Å; F295-E299 HydrophobicContact CG-CG 4.45Å; F295-E299 HydrophobicContact CZ-CG 3.78Å; F295-E299 WeakPolarHBondContact O-CB 3.4Å; F295-E299 WeakPolarHBondContact O-CG 3.4Å; F295-E299 PolarHBondContact O-N 3.28Å; F295-E299 VanDerWaalsContact O-N 3.09Å |
| 296 | Y | 98.6 | Very high | 98 | Very high | 26 Ų | 26 | 51.8 Ų | 51.8 | 10% | 0.102 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65 | -26.8 | 177.7 | -62.8 | -31.8 | 0 | 0 | 0 | 113.5 | Q292 F293 M300 V301 L350 F353 | Q292-Y296 HydrophobicContact CB-CE2 4.18Å; Q292-Y296 WeakPolarHBondContact O-CD2 3.48Å; Q292-Y296 PolarHBondContact O-N 3.14Å; F293-Y296 CarbonylContact O-C 3.6Å; F293-Y296 PolarHBondContact O-N 3.14Å; Y296-M300 HydrophobicContact CD1-CE 3.25Å; Y296-M300 HydrophobicContact CE1-CE 4.03Å; Y296-M300 HydrophobicContact CG-CE 3.64Å; Y296-M300 PolarHBondContact O-N 2.81Å; Y296-M300 VanDerWaalsContact O-N 3.14Å; Y296-V301 PolarHBondContact O-N 2.98Å; Y296-L350 HydrophobicContact CD2-CD1 3.61Å; Y296-L350 HydrophobicContact CE2-CD1 4.36Å; Y296-L350 HydrophobicContact CG-CD1 3.88Å; Y296-F353 HydrophobicContact CD2-CB 4.44Å; Y296-F353 HydrophobicContact CD2-CD2 4.44Å; Y296-F353 HydrophobicContact CD2-CG 4.19Å; Y296-F353 HydrophobicContact CE2-CB 3.89Å; Y296-F353 HydrophobicContact CE2-CD2 4.02Å; Y296-F353 AromaticContact CE2-CG 3.93Å; Y296-F353 HydrophobicContact CE2-CG 3.93Å |
| 297 | L | 98.4 | Very high | 98 | Very high | 8 Ų | 8 | 52.4 Ų | 52.4 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | I | π-helix | trans | -68.8 | -52.8 | 177.4 | 176.8 | 56.1 | 0 | 0 | 0 | 110.5 | F293 E294 F295 V301 L302 V366 L367 R370 | F293-L297 HydrophobicContact CE1-CB 4.22Å; F293-L297 HydrophobicContact CE1-CD2 4.17Å; F293-L297 HydrophobicContact CZ-CB 4.29Å; F293-L297 HydrophobicContact CZ-CD1 4.46Å; F293-L297 WeakPolarHBondContact O-CB 3.14Å; F293-L297 PolarHBondContact O-N 2.85Å; E294-L297 PolarHBondContact O-N 3.44Å; F295-L297 PolarHBondContact O-N 3.13Å; L297-V301 HydrophobicContact CD1-CB 3.91Å; L297-V301 HydrophobicContact CD1-CG1 3.72Å; L297-V301 PolarHBondContact O-N 3.22Å; L297-L302 VanDerWaalsContact O-CB 3.22Å; L297-L302 WeakPolarHBondContact O-CB 3Å; L297-L302 PolarHBondContact O-N 3.1Å; L297-V366 HydrophobicContact CD2-CG1 3.98Å; L297-L367 HydrophobicContact CD1-CD2 3.81Å; L297-L367 HydrophobicContact CD2-CD2 4.22Å; L297-R370 HydrophobicContact CD2-CG 4.1Å |
| 298 | E | 98.1 | Very high | 97.9 | Very high | 74 Ų | 74 | 51.4 Ų | 51.4 | 35% | 0.346 | 27% | 0.266 | S | S | . | . | I | π-helix | trans | -65.6 | -43.3 | 178.8 | -53.2 | -62.8 | 172.9 | 0 | 0 | 112 | E294 F295 L302 P303 R370 | E294-E298 WeakPolarHBondContact O-CG 3.19Å; E294-E298 PolarHBondContact O-N 3.2Å; F295-E298 PolarHBondContact O-N 2.57Å; E298-L302 VanDerWaalsContact OE2-CD2 3.25Å; E298-L302 WeakPolarHBondContact OE2-CD2 3.39Å; E298-P303 WeakPolarHBondContact O-CD 3.49Å; E298-R370 IonicContact OE1-CZ 2.79Å; E298-R370 IonicContact OE1-NH1 3.64Å; E298-R370 PolarHBondContact OE1-NH1 2.91Å; E298-R370 IonicContact OE1-NH2 3.85Å; E298-R370 PolarHBondContact OE1-NH2 2.7Å |
| 299 | E | 97.9 | Very high | 97.8 | Very high | 124 Ų | 124 | 52.1 Ų | 52.1 | 58% | 0.579 | 27% | 0.269 | S | S | * | . | I | π-helix | trans | -82.9 | -31.6 | -169.5 | -66.3 | -74.6 | 125.3 | 0 | 0 | 114.9 | F295 | F295-E299 HydrophobicContact CD2-CG 4Å; F295-E299 HydrophobicContact CE1-CG 4.24Å; F295-E299 HydrophobicContact CE2-CG 3.65Å; F295-E299 HydrophobicContact CG-CG 4.45Å; F295-E299 HydrophobicContact CZ-CG 3.78Å; F295-E299 WeakPolarHBondContact O-CB 3.4Å; F295-E299 WeakPolarHBondContact O-CG 3.4Å; F295-E299 PolarHBondContact O-N 3.28Å; F295-E299 VanDerWaalsContact O-N 3.09Å |
| 300 | M | 97.9 | Very high | 97.7 | Very high | 45 Ų | 45 | 59.7 Ų | 59.7 | 22% | 0.222 | 30% | 0.304 | C | S | . | . | I | π-helix | trans | -125.1 | -35.1 | -172.5 | -65.6 | -179.4 | -69.8 | 0 | 0 | 114.6 | Y296 I345 L350 | Y296-M300 HydrophobicContact CD1-CE 3.25Å; Y296-M300 HydrophobicContact CE1-CE 4.03Å; Y296-M300 HydrophobicContact CG-CE 3.64Å; Y296-M300 PolarHBondContact O-N 2.81Å; Y296-M300 VanDerWaalsContact O-N 3.14Å; M300-I345 HydrophobicContact CB-CD1 4.05Å; M300-I345 HydrophobicContact CB-CG2 4.42Å; M300-I345 HydrophobicContact SD-CG2 4.05Å; M300-L350 HydrophobicContact CE-CB 4.11Å; M300-L350 HydrophobicContact CE-CD1 4.36Å; M300-L350 HydrophobicContact CE-CD2 4.09Å; M300-L350 HydrophobicContact CE-CG 4.42Å |
| 301 | V | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | I | π-helix | trans | -88.2 | -44.7 | -175.7 | 173 | 0 | 0 | 0 | 0 | 111.5 | Y296 L297 L304 M305 I318 I345 I409 M411 | Y296-V301 PolarHBondContact O-N 2.98Å; L297-V301 HydrophobicContact CD1-CB 3.91Å; L297-V301 HydrophobicContact CD1-CG1 3.72Å; L297-V301 PolarHBondContact O-N 3.22Å; V301-L304 PolarHBondContact O-N 2.94Å; V301-M305 HydrophobicContact CG1-CG 4.29Å; V301-M305 HydrophobicContact CG1-SD 3.77Å; V301-M305 WeakPolarHBondContact O-CG 3.41Å; V301-M305 PolarHBondContact O-N 2.97Å; V301-I318 HydrophobicContact CB-CD1 4.45Å; V301-I318 HydrophobicContact CG1-CD1 3.85Å; V301-I345 HydrophobicContact CG2-CD1 3.94Å; V301-I409 HydrophobicContact CG2-CD1 3.72Å; V301-M411 HydrophobicContact CG1-CE 4.23Å; V301-M411 HydrophobicContact CG1-SD 4.34Å |
| 302 | L | 98 | Very high | 97.3 | Very high | 63 Ų | 63 | 56.3 Ų | 56.3 | 33% | 0.33 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.9 | -41 | -178.2 | -178.7 | 62.8 | 0 | 0 | 0 | 113.5 | L297 E298 L304 M305 V306 | L297-L302 VanDerWaalsContact O-CB 3.22Å; L297-L302 WeakPolarHBondContact O-CB 3Å; L297-L302 PolarHBondContact O-N 3.1Å; E298-L302 VanDerWaalsContact OE2-CD2 3.25Å; E298-L302 WeakPolarHBondContact OE2-CD2 3.39Å; L302-L304 VanDerWaalsContact C-N 3.28Å; L302-L304 PolarHBondContact O-N 3.42Å; L302-M305 PolarHBondContact O-N 2.67Å; L302-M305 VanDerWaalsContact O-N 3.16Å; L302-V306 HydrophobicContact CD1-CG2 3.96Å; L302-V306 HydrophobicContact CG-CG2 4.18Å; L302-V306 WeakPolarHBondContact O-CB 3.44Å; L302-V306 WeakPolarHBondContact O-CG2 3.31Å; L302-V306 PolarHBondContact O-N 2.99Å |
| 303 | P | 98.1 | Very high | 97.1 | Very high | 69 Ų | 69 | 56.7 Ų | 56.7 | 45% | 0.448 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59 | -39.5 | 177.5 | -25.9 | 36.2 | 0 | 0 | 0 | 112.8 | E298 V306 A307 | E298-P303 WeakPolarHBondContact O-CD 3.49Å; P303-V306 PolarHBondContact O-N 2.93Å; P303-A307 PolarHBondContact O-N 3.29Å |
| 304 | L | 97.5 | Very high | 96.9 | Very high | 39 Ų | 39 | 62.9 Ų | 62.9 | 20% | 0.204 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.7 | -40 | 176.2 | -60.8 | -178.1 | 0 | 0 | 0 | 111.7 | V301 L302 A307 S308 I318 Q343 I345 | V301-L304 PolarHBondContact O-N 2.94Å; L302-L304 VanDerWaalsContact C-N 3.28Å; L302-L304 PolarHBondContact O-N 3.42Å; L304-A307 PolarHBondContact O-N 3.05Å; L304-S308 PolarHBondContact O-N 3.27Å; L304-I318 HydrophobicContact CB-CD1 4.22Å; L304-I318 HydrophobicContact CD1-CD1 4.22Å; L304-I318 HydrophobicContact CD1-CG2 4.1Å; L304-Q343 HydrophobicContact CD1-CB 4.22Å; L304-Q343 PolarHBondContact O-NE2 3.05Å; L304-I345 HydrophobicContact CD1-CD1 4.02Å; L304-I345 HydrophobicContact CD1-CG1 3.45Å; L304-I345 VanDerWaalsContact CD1-CG1 3.45Å |
| 305 | M | 96.6 | Very high | 96.7 | Very high | 18 Ų | 18 | 63.3 Ų | 63.3 | 9% | 0.089 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63 | -40.3 | 172.9 | -69.4 | 175.2 | 53.9 | 0 | 0 | 112.3 | V301 L302 S308 A309 C316 L372 M411 W413 | V301-M305 HydrophobicContact CG1-CG 4.29Å; V301-M305 HydrophobicContact CG1-SD 3.77Å; V301-M305 WeakPolarHBondContact O-CG 3.41Å; V301-M305 PolarHBondContact O-N 2.97Å; L302-M305 PolarHBondContact O-N 2.67Å; L302-M305 VanDerWaalsContact O-N 3.16Å; M305-S308 PolarHBondContact O-N 3.42Å; M305-A309 WeakPolarHBondContact O-CB 3.45Å; M305-A309 PolarHBondContact O-N 3.27Å; M305-C316 HydrophobicContact CG-CB 4.3Å; M305-L372 HydrophobicContact CE-CD1 3.8Å; M305-L372 HydrophobicContact CE-CD2 3.68Å; M305-L372 HydrophobicContact CE-CG 4.4Å; M305-L372 HydrophobicContact SD-CD1 4.44Å; M305-M411 HydrophobicContact CE-CG 4.42Å; M305-M411 HydrophobicContact CG-CE 4.32Å; M305-M411 HydrophobicContact SD-CE 4.28Å; M305-M411 HydrophobicContact SD-CG 4.28Å; M305-M411 HydrophobicContact SD-SD 3.81Å; M305-W413 HydrophobicContact CB-CH2 4.44Å; M305-W413 HydrophobicContact CB-CZ3 4.07Å; M305-W413 HydrophobicContact CE-CE3 3.91Å; M305-W413 HydrophobicContact CE-CZ3 4.09Å; M305-W413 HydrophobicContact CG-CZ3 4.05Å |
| 306 | V | 97.3 | Very high | 96.5 | Very high | 61 Ų | 61 | 57.7 Ų | 57.7 | 37% | 0.37 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 176.8 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | L302 P303 A309 Q310 | L302-V306 HydrophobicContact CD1-CG2 3.96Å; L302-V306 HydrophobicContact CG-CG2 4.18Å; L302-V306 WeakPolarHBondContact O-CB 3.44Å; L302-V306 WeakPolarHBondContact O-CG2 3.31Å; L302-V306 PolarHBondContact O-N 2.99Å; P303-V306 PolarHBondContact O-N 2.93Å; V306-A309 PolarHBondContact O-N 2.98Å; V306-Q310 HydrophobicContact CG1-CG 4.39Å; V306-Q310 WeakPolarHBondContact O-CB 3.42Å; V306-Q310 VanDerWaalsContact O-CG 3.28Å; V306-Q310 WeakPolarHBondContact O-CG 3.44Å; V306-Q310 PolarHBondContact O-N 3.06Å |
| 307 | A | 96.6 | Very high | 96.4 | Very high | 45 Ų | 45 | 57.9 Ų | 57.9 | 37% | 0.372 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.9 | -47.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P303 L304 Q310 S311 | P303-A307 PolarHBondContact O-N 3.29Å; L304-A307 PolarHBondContact O-N 3.05Å; A307-Q310 PolarHBondContact O-N 3.32Å; A307-S311 PolarHBondContact O-N 3.17Å |
| 308 | S | 95.3 | Very high | 96.3 | Very high | 16 Ų | 16 | 57.5 Ų | 57.5 | 11% | 0.112 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.9 | -43 | 173.3 | -82.2 | 0 | 0 | 0 | 0 | 112.9 | L304 M305 Q310 S311 G312 E313 Q343 | L304-S308 PolarHBondContact O-N 3.27Å; M305-S308 PolarHBondContact O-N 3.42Å; S308-Q310 VanDerWaalsContact C-N 3.29Å; S308-Q310 PolarHBondContact O-N 2.97Å; S308-S311 PolarHBondContact O-N 2.91Å; S308-S311 PolarHBondContact O-OG 2.95Å; S308-G312 PolarHBondContact O-N 3.4Å; S308-E313 VanDerWaalsContact O-CB 3.29Å; S308-E313 WeakPolarHBondContact O-CB 3.25Å; S308-E313 PolarHBondContact O-N 3.32Å; S308-Q343 PolarHBondContact OG-NE2 2.93Å |
| 309 | A | 96.1 | Very high | 96.2 | Very high | 44 Ų | 44 | 54.3 Ų | 54.3 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.7 | -36.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | M305 V306 G312 W413 | M305-A309 WeakPolarHBondContact O-CB 3.45Å; M305-A309 PolarHBondContact O-N 3.27Å; V306-A309 PolarHBondContact O-N 2.98Å; A309-G312 PolarHBondContact O-N 3.13Å; A309-W413 HydrophobicContact CB-CZ2 3.95Å |
| 310 | Q | 96.9 | Very high | 96.2 | Very high | 161 Ų | 161 | 48.4 Ų | 48.4 | 75% | 0.752 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -70.5 | -34.3 | 175 | -72.9 | 174.1 | -2.6 | 0 | 0 | 113 | V306 A307 S308 G312 | V306-Q310 HydrophobicContact CG1-CG 4.39Å; V306-Q310 WeakPolarHBondContact O-CB 3.42Å; V306-Q310 VanDerWaalsContact O-CG 3.28Å; V306-Q310 WeakPolarHBondContact O-CG 3.44Å; V306-Q310 PolarHBondContact O-N 3.06Å; A307-Q310 PolarHBondContact O-N 3.32Å; S308-Q310 VanDerWaalsContact C-N 3.29Å; S308-Q310 PolarHBondContact O-N 2.97Å; Q310-G312 PolarHBondContact O-N 3.28Å |
| 311 | S | 94.8 | Very high | 96.2 | Very high | 86 Ų | 86 | 46.2 Ų | 46.2 | 60% | 0.601 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -4.6 | 172.3 | 70.3 | 0 | 0 | 0 | 0 | 113.8 | A307 S308 | A307-S311 PolarHBondContact O-N 3.17Å; S308-S311 PolarHBondContact O-N 2.91Å; S308-S311 PolarHBondContact O-OG 2.95Å |
| 312 | G | 94.1 | Very high | 96.2 | Very high | 41 Ų | 41 | 47 Ų | 47 | 42% | 0.423 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.3 | 1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | S308 A309 Q310 R314 | S308-G312 PolarHBondContact O-N 3.4Å; A309-G312 PolarHBondContact O-N 3.13Å; Q310-G312 PolarHBondContact O-N 3.28Å; G312-R314 PolarHBondContact O-NH1 2.98Å |
| 313 | E | 93.9 | Very high | 96.1 | Very high | 102 Ų | 102 | 48.7 Ų | 48.7 | 48% | 0.477 | 28% | 0.276 | S | S | . | . | trans | -71.2 | 161.9 | -176.6 | -62.7 | -57.2 | 151.3 | 0 | 0 | 113.8 | S308 W413 | S308-E313 VanDerWaalsContact O-CB 3.29Å; S308-E313 WeakPolarHBondContact O-CB 3.25Å; S308-E313 PolarHBondContact O-N 3.32Å; E313-W413 HydrophobicContact CB-CZ2 4.32Å; E313-W413 PolarHBondContact O-NE1 2.94Å | ||
| 314 | R | 94.5 | Very high | 96 | Very high | 131 Ų | 131 | 52.2 Ų | 52.2 | 49% | 0.494 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -122.9 | -2.5 | 176.7 | -58 | -63.7 | 175 | -98.8 | -5.3 | 113.6 | G312 S412 W413 E414 | G312-R314 PolarHBondContact O-NH1 2.98Å; R314-S412 WeakPolarHBondContact O-CA 3.44Å; R314-S412 PolarHBondContact O-OG 3.42Å; R314-W413 PolarHBondContact O-N 3.35Å; R314-W413 VanDerWaalsContact O-N 3.12Å; R314-E414 HydrophobicContact CB-CB 3.96Å; R314-E414 HydrophobicContact CB-CG 4.27Å; R314-E414 PolarHBondContact O-N 2.9Å |
| 315 | E | 94.1 | Very high | 95.8 | Very high | 54 Ų | 54 | 51.4 Ų | 51.4 | 25% | 0.252 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 166.7 | 166 | 64.7 | 179 | 159 | 0 | 0 | 111.2 | R410 M411 | E315-R410 VanDerWaalsContact CD-NH2 3.27Å; E315-R410 IonicContact OE1-CZ 2.69Å; E315-R410 IonicContact OE1-NE 3.06Å; E315-R410 IonicContact OE1-NH2 3.11Å; E315-R410 PolarHBondContact OE1-NH2 3.47Å; E315-R410 IonicContact OE2-CZ 3.63Å; E315-R410 VanDerWaalsContact OE2-CZ 3.31Å; E315-R410 IonicContact OE2-NE 2.7Å; E315-R410 PolarHBondContact OE2-NE 3.37Å; E315-R410 IonicContact OE2-NH2 2.88Å; E315-R410 PolarHBondContact OE2-NH2 3.28Å; E315-R410 VanDerWaalsContact OE2-NH2 3.07Å; E315-M411 CarbonylContact C-O 3.59Å; E315-M411 VanDerWaalsContact CA-O 3.31Å; E315-M411 WeakPolarHBondContact CA-O 3.36Å; E315-M411 VanDerWaalsContact CB-O 3.31Å; E315-M411 WeakPolarHBondContact CB-O 3.45Å |
| 316 | C | 94.6 | Very high | 95.5 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.027 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 133.9 | 175.9 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | M305 I318 Q343 R410 M411 W413 | M305-C316 HydrophobicContact CG-CB 4.3Å; C316-I318 WeakPolarHBondContact SG-CG1 3.25Å; C316-Q343 PolarHBondContact SG-NE2 3.03Å; C316-R410 VanDerWaalsContact O-CA 3.31Å; C316-R410 WeakPolarHBondContact O-CA 3.42Å; C316-M411 HydrophobicContact CB-CE 4.17Å; C316-M411 PolarHBondContact N-O 3.14Å; C316-M411 PolarHBondContact O-N 2.8Å; C316-W413 HydrophobicContact CB-CH2 3.69Å; C316-W413 HydrophobicContact CB-CZ3 3.57Å |
| 317 | H | 95.5 | Very high | 95.2 | Very high | 30 Ų | 30 | 54.5 Ų | 54.5 | 14% | 0.139 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 125 | 166.9 | -170.6 | -165.4 | 0 | 0 | 0 | 108.2 | S342 Q343 F408 I409 | H317-S342 PolarHBondContact ND1-OG 2.69Å; H317-S342 CarbonylContact O-C 3.55Å; H317-S342 WeakPolarHBondContact O-CA 3.41Å; H317-Q343 PolarHBondContact O-N 3.38Å; H317-F408 AromaticContact NE2-CD2 3.48Å; H317-F408 WeakPolarHBondContact NE2-CD2 3.42Å; H317-F408 AromaticContact NE2-CG 3.86Å; H317-I409 CarbonylContact C-O 3.57Å; H317-I409 WeakPolarHBondContact CA-O 3.39Å |
| 318 | I | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 132.5 | -178.6 | -51 | 179.4 | 0 | 0 | 0 | 108.7 | V301 L304 C316 Q343 I345 F408 I409 M411 | V301-I318 HydrophobicContact CB-CD1 4.45Å; V301-I318 HydrophobicContact CG1-CD1 3.85Å; L304-I318 HydrophobicContact CB-CD1 4.22Å; L304-I318 HydrophobicContact CD1-CD1 4.22Å; L304-I318 HydrophobicContact CD1-CG2 4.1Å; C316-I318 WeakPolarHBondContact SG-CG1 3.25Å; I318-Q343 CarbonylContact C-O 3.6Å; I318-Q343 WeakPolarHBondContact CA-O 3.44Å; I318-Q343 HydrophobicContact CG1-CB 4.49Å; I318-I345 HydrophobicContact CG2-CB 4.49Å; I318-I345 HydrophobicContact CG2-CD1 3.66Å; I318-I345 HydrophobicContact CG2-CG1 3.72Å; I318-F408 CarbonylContact O-C 3.55Å; I318-F408 VanDerWaalsContact O-CA 3.23Å; I318-F408 WeakPolarHBondContact O-CA 3.48Å; I318-I409 HydrophobicContact CB-CB 4.39Å; I318-I409 PolarHBondContact N-O 3.49Å; I318-I409 PolarHBondContact O-N 2.75Å; I318-M411 HydrophobicContact CD1-CE 3.7Å; I318-M411 HydrophobicContact CG1-CE 4.02Å |
| 319 | V | 96.5 | Very high | 94.6 | Very high | 7 Ų | 7 | 61 Ų | 61 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 134.8 | 169.4 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | L321 Q343 I344 I345 Y382 R406 F408 | V319-L321 HydrophobicContact CG1-CD2 3.94Å; V319-L321 HydrophobicContact CG1-CG 4.49Å; V319-Q343 PolarHBondContact N-O 2.71Å; V319-I344 WeakPolarHBondContact O-CA 3.24Å; V319-I345 PolarHBondContact O-N 3.04Å; V319-Y382 HydrophobicContact CB-CD2 4.07Å; V319-Y382 HydrophobicContact CB-CE2 4.05Å; V319-Y382 HydrophobicContact CG1-CD2 3.7Å; V319-Y382 HydrophobicContact CG1-CE2 4.09Å; V319-Y382 HydrophobicContact CG1-CG 3.92Å; V319-Y382 HydrophobicContact CG2-CD2 3.73Å; V319-Y382 HydrophobicContact CG2-CE2 3.79Å; V319-R406 HydrophobicContact CG1-CB 4.02Å; V319-F408 HydrophobicContact CG2-CB 4.41Å |
| 320 | V | 98 | Very high | 94.1 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 107 | 179.5 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | I345 L350 F354 R406 P407 | V320-I345 CarbonylContact C-O 3.54Å; V320-I345 WeakPolarHBondContact CA-O 3.5Å; V320-L350 HydrophobicContact CG1-CB 3.8Å; V320-L350 HydrophobicContact CG1-CD2 3.93Å; V320-L350 HydrophobicContact CG1-CG 3.83Å; V320-L350 HydrophobicContact CG2-CD2 3.71Å; V320-L350 HydrophobicContact CG2-CG 4.09Å; V320-F354 HydrophobicContact CG2-CD2 4.21Å; V320-F354 HydrophobicContact CG2-CE2 4.16Å; V320-R406 WeakPolarHBondContact O-CD 3.48Å; V320-P407 HydrophobicContact CB-CB 4.22Å; V320-P407 PolarHBondContact N-O 2.69Å |
| 321 | L | 97.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 157.8 | 172.7 | -59.1 | -173.8 | 0 | 0 | 0 | 110.8 | V319 D325 V327 I344 I345 Y346 S347 Y382 R406 | V319-L321 HydrophobicContact CG1-CD2 3.94Å; V319-L321 HydrophobicContact CG1-CG 4.49Å; L321-D325 HydrophobicContact CB-CB 4.01Å; L321-D325 HydrophobicContact CD1-CB 4.36Å; L321-V327 HydrophobicContact CD1-CG2 3.48Å; L321-V327 VanDerWaalsContact CD1-CG2 3.48Å; L321-I344 HydrophobicContact CB-CG2 4.46Å; L321-I344 HydrophobicContact CD1-CG2 3.63Å; L321-I344 HydrophobicContact CG-CG2 3.88Å; L321-I345 PolarHBondContact N-O 3.47Å; L321-Y346 HydrophobicContact CB-CD1 3.84Å; L321-Y346 HydrophobicContact CB-CE1 3.98Å; L321-Y346 HydrophobicContact CB-CG 4.49Å; L321-Y346 HydrophobicContact CD1-CD1 4.31Å; L321-Y346 HydrophobicContact CD1-CE1 3.61Å; L321-Y346 HydrophobicContact CG-CE1 4.41Å; L321-S347 CarbonylContact O-C 3.48Å; L321-S347 PolarHBondContact O-N 3.31Å; L321-Y382 HydrophobicContact CD1-CE1 4.31Å; L321-Y382 HydrophobicContact CD2-CD1 4.01Å; L321-Y382 HydrophobicContact CD2-CE1 4.41Å; L321-R406 HydrophobicContact CD2-CB 4.3Å; L321-R406 HydrophobicContact CD2-CG 3.69Å |
| 322 | T | 97.4 | Very high | 93.1 | Very high | 16 Ų | 16 | 65.2 Ų | 65.2 | 10% | 0.098 | 33% | 0.331 | C | S | . | . | trans | -79.2 | 161.1 | 166.3 | 54.6 | 0 | 0 | 0 | 0 | 110.1 | D324 D325 T348 Y351 | T322-D324 PolarHBondContact O-N 2.97Å; T322-D325 PolarHBondContact N-OD2 3.05Å; T322-D325 WeakPolarHBondContact O-CB 3.18Å; T322-D325 PolarHBondContact O-N 3.42Å; T322-D325 VanDerWaalsContact O-N 3.16Å; T322-D325 VanDerWaalsContact OG1-CG 3.24Å; T322-D325 PolarHBondContact OG1-OD2 2.88Å; T322-T348 HydrophobicContact CG2-CG2 4.3Å; T322-Y351 HydrophobicContact CG2-CD1 3.52Å; T322-Y351 HydrophobicContact CG2-CD2 3.9Å; T322-Y351 HydrophobicContact CG2-CE1 4.06Å; T322-Y351 HydrophobicContact CG2-CE2 4.41Å; T322-Y351 HydrophobicContact CG2-CG 3.45Å; T322-Y351 VanDerWaalsContact CG2-CG 3.45Å | ||
| 323 | D | 96.8 | Very high | 92.6 | Very high | 99 Ų | 99 | 66.5 Ų | 66.5 | 53% | 0.529 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -17.4 | -177.3 | -45.1 | -50.7 | 0 | 0 | 0 | 111.9 | S347 T348 | D323-S347 WeakPolarHBondContact OD1-CA 3.22Å; D323-S347 PolarHBondContact OD1-N 3.3Å; D323-T348 PolarHBondContact N-OG1 2.8Å; D323-T348 PolarHBondContact OD1-N 2.83Å; D323-T348 VanDerWaalsContact OD1-N 3.13Å; D323-T348 WeakPolarHBondContact OD2-CB 3.22Å; D323-T348 PolarHBondContact OD2-N 3.16Å; D323-T348 PolarHBondContact OD2-OG1 2.95Å |
| 324 | D | 95.4 | Very high | 92.2 | Very high | 143 Ų | 143 | 65.4 Ų | 65.4 | 77% | 0.765 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -1.8 | 177.4 | -49.7 | -63.7 | 0 | 0 | 0 | 113.6 | T322 | T322-D324 PolarHBondContact O-N 2.97Š|
| 325 | D | 94.5 | Very high | 91.6 | Very high | 21 Ų | 21 | 59.9 Ų | 59.9 | 11% | 0.112 | 31% | 0.306 | C | S | . | . | trans | -78 | 131.2 | -178.4 | -83 | -56.8 | 0 | 0 | 0 | 112.5 | L321 T322 R406 | L321-D325 HydrophobicContact CB-CB 4.01Å; L321-D325 HydrophobicContact CD1-CB 4.36Å; T322-D325 PolarHBondContact N-OD2 3.05Å; T322-D325 WeakPolarHBondContact O-CB 3.18Å; T322-D325 PolarHBondContact O-N 3.42Å; T322-D325 VanDerWaalsContact O-N 3.16Å; T322-D325 VanDerWaalsContact OG1-CG 3.24Å; T322-D325 PolarHBondContact OG1-OD2 2.88Å; D325-R406 VanDerWaalsContact CG-NH2 3.28Å; D325-R406 IonicContact OD1-CZ 3.07Å; D325-R406 IonicContact OD1-NE 2.76Å; D325-R406 PolarHBondContact OD1-NE 3.25Å; D325-R406 IonicContact OD1-NH2 3.59Å; D325-R406 PolarHBondContact OD1-NH2 2.7Å; D325-R406 IonicContact OD2-CZ 3.81Å; D325-R406 VanDerWaalsContact OD2-CZ 3.29Å; D325-R406 IonicContact OD2-NE 3.31Å; D325-R406 PolarHBondContact OD2-NE 2.73Å; D325-R406 IonicContact OD2-NH2 2.75Å; D325-R406 PolarHBondContact OD2-NH2 2.76Å | ||
| 326 | V | 90.5 | Very high | 90.8 | Very high | 105 Ų | 105 | 66.5 Ų | 66.5 | 64% | 0.636 | 34% | 0.337 | S | S | * | . | trans | -107.2 | 126.8 | 171.7 | -177.4 | 0 | 0 | 0 | 0 | 109.8 | T384 | V326-T384 WeakPolarHBondContact O-CB 3.46Š| ||
| 327 | V | 91.1 | Very high | 89.6 | Confident | 40 Ų | 40 | 69 Ų | 69 | 24% | 0.242 | 35% | 0.35 | C | S | . | . | trans | -111.2 | 114.8 | 173.7 | -174 | 0 | 0 | 0 | 0 | 107.9 | L321 W329 Y382 | L321-V327 HydrophobicContact CD1-CG2 3.48Å; L321-V327 VanDerWaalsContact CD1-CG2 3.48Å; V327-W329 HydrophobicContact CG1-CD2 4.22Å; V327-W329 HydrophobicContact CG1-CG 4.14Å; V327-W329 HydrophobicContact CG1-CZ2 4.32Å; V327-W329 VanDerWaalsContact CG1-NE1 3.25Å; V327-Y382 HydrophobicContact CG1-CE1 4.27Å; V327-Y382 HydrophobicContact CG2-CE1 4.03Å | ||
| 328 | D | 89.1 | Confident | 88.2 | Confident | 106 Ų | 106 | 70.8 Ų | 70.8 | 57% | 0.567 | 38% | 0.375 | S | S | * | . | B | Isolated β-bridge | trans | -130 | 82.4 | -174.8 | -178.3 | 28.4 | 0 | 0 | 0 | 108.4 | T384 Y385 | D328-T384 CarbonylContact C-O 3.5Å; D328-T384 PolarHBondContact N-O 3.16Å; D328-Y385 WeakPolarHBondContact O-CA 3.31Å |
| 329 | W | 89 | Confident | 86.3 | Confident | 90 Ų | 90 | 80.5 Ų | 80.5 | 34% | 0.341 | 42% | 0.421 | S | S | . | . | trans | -87.6 | 129.4 | -178.8 | -69.6 | -1.2 | 0 | 0 | 0 | 110.6 | V327 P335 M337 Y382 P383 T384 | V327-W329 HydrophobicContact CG1-CD2 4.22Å; V327-W329 HydrophobicContact CG1-CG 4.14Å; V327-W329 HydrophobicContact CG1-CZ2 4.32Å; V327-W329 VanDerWaalsContact CG1-NE1 3.25Å; W329-P335 HydrophobicContact CD2-CG 3.57Å; W329-P335 HydrophobicContact CE3-CG 4.1Å; W329-P335 HydrophobicContact CG-CG 3.84Å; W329-P335 HydrophobicContact CH2-CG 4.49Å; W329-P335 HydrophobicContact CZ2-CG 3.99Å; W329-M337 HydrophobicContact CH2-CE 4.11Å; W329-M337 HydrophobicContact CH2-CG 3.64Å; W329-M337 HydrophobicContact CH2-SD 3.63Å; W329-M337 HydrophobicContact CZ2-CE 4.49Å; W329-M337 HydrophobicContact CZ2-CG 4.16Å; W329-M337 HydrophobicContact CZ2-SD 3.69Å; W329-M337 HydrophobicContact CZ3-CG 4.16Å; W329-Y382 HydrophobicContact CZ2-CE1 4.07Å; W329-Y382 HydrophobicContact CZ2-CE2 4.36Å; W329-Y382 AromaticContact CZ2-CZ 3.68Å; W329-Y382 VanDerWaalsContact CZ2-OH 3.31Å; W329-Y382 WeakPolarHBondContact CZ2-OH 3.31Å; W329-P383 HydrophobicContact CZ2-CG 4.09Å; W329-P383 PolarHBondContact NE1-O 3.24Å; W329-T384 VanDerWaalsContact CD1-O 3.32Å | ||
| 330 | D | 85.9 | Confident | 84.6 | Confident | 47 Ų | 47 | 83.5 Ų | 83.5 | 25% | 0.251 | 43% | 0.434 | S | S | . | . | trans | -79.2 | 122.5 | -175.6 | 176.2 | -100.4 | 0 | 0 | 0 | 111.3 | E332 Y333 P334 K386 Y401 | D330-E332 VanDerWaalsContact C-N 3.31Å; D330-E332 PolarHBondContact O-N 2.9Å; D330-Y333 CarbonylContact O-C 3.17Å; D330-Y333 PolarHBondContact O-N 3.35Å; D330-Y333 VanDerWaalsContact O-N 3.16Å; D330-Y333 WeakPolarHBondContact OD1-CD2 3.49Å; D330-Y333 PolarHBondContact OD1-N 3.36Å; D330-P334 WeakPolarHBondContact O-CA 3.33Å; D330-P334 WeakPolarHBondContact O-CD 3.37Å; D330-K386 HydrophobicContact CB-CB 4.28Å; D330-K386 HydrophobicContact CB-CD 3.37Å; D330-K386 HydrophobicContact CB-CG 4.48Å; D330-K386 IonicContact OD1-NZ 2.73Å; D330-K386 PolarHBondContact OD1-NZ 3.42Å; D330-K386 WeakPolarHBondContact OD2-CD 3.46Å; D330-K386 IonicContact OD2-NZ 3.62Å; D330-K386 PolarHBondContact OD2-NZ 3.04Å; D330-Y401 WeakPolarHBondContact CB-OH 3.45Å; D330-Y401 PolarHBondContact N-OH 2.69Å; D330-Y401 VanDerWaalsContact N-OH 3.16Å | ||
| 331 | E | 85.2 | Confident | 83.4 | Confident | 193 Ų | 193 | 93.4 Ų | 93.4 | 90% | 0.902 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -33.3 | -172.6 | -60.3 | -176 | 164.2 | 0 | 0 | 114 | ||
| 332 | E | 85.9 | Confident | 82.9 | Confident | 140 Ų | 140 | 94 Ų | 94 | 65% | 0.654 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -29.7 | 179.5 | -163.5 | -166.7 | 155.2 | 0 | 0 | 111.9 | D330 | D330-E332 VanDerWaalsContact C-N 3.31Å; D330-E332 PolarHBondContact O-N 2.9Å |
| 333 | Y | 83.3 | Confident | 82.6 | Confident | 69 Ų | 69 | 94.8 Ų | 94.8 | 27% | 0.271 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -139.3 | 66.7 | -178 | -54.6 | -88.7 | 0 | 0 | 0 | 112.7 | D330 P397 V399 Y401 | D330-Y333 CarbonylContact O-C 3.17Å; D330-Y333 PolarHBondContact O-N 3.35Å; D330-Y333 VanDerWaalsContact O-N 3.16Å; D330-Y333 WeakPolarHBondContact OD1-CD2 3.49Å; D330-Y333 PolarHBondContact OD1-N 3.36Å; Y333-P397 HydrophobicContact CE1-CB 4.42Å; Y333-P397 HydrophobicContact CE1-CG 4.35Å; Y333-V399 HydrophobicContact CD1-CG2 3.73Å; Y333-V399 HydrophobicContact CD2-CG2 4.31Å; Y333-V399 HydrophobicContact CG-CG2 3.64Å; Y333-Y401 WeakPolarHBondContact O-CE2 3.42Å; Y333-Y401 PolarHBondContact O-OH 2.68Å |
| 334 | P | 84.3 | Confident | 82.5 | Confident | 79 Ų | 79 | 92.8 Ų | 92.8 | 51% | 0.513 | 47% | 0.469 | S | S | . | . | trans | -62.2 | 154.5 | 179 | 25.2 | -34.8 | 0 | 0 | 0 | 111.9 | D330 | D330-P334 WeakPolarHBondContact O-CA 3.33Å; D330-P334 WeakPolarHBondContact O-CD 3.37Å | ||
| 335 | P | 83.4 | Confident | 82.6 | Confident | 14 Ų | 14 | 86.5 Ų | 86.5 | 9% | 0.091 | 44% | 0.435 | C | S | . | . | trans | -67.5 | 146.6 | -179.6 | 28.3 | -32.7 | 0 | 0 | 0 | 111.5 | W329 M337 P383 Y401 | W329-P335 HydrophobicContact CD2-CG 3.57Å; W329-P335 HydrophobicContact CE3-CG 4.1Å; W329-P335 HydrophobicContact CG-CG 3.84Å; W329-P335 HydrophobicContact CH2-CG 4.49Å; W329-P335 HydrophobicContact CZ2-CG 3.99Å; P335-M337 VanDerWaalsContact C-N 3.29Å; P335-M337 HydrophobicContact CG-CG 4.35Å; P335-M337 PolarHBondContact O-N 3.05Å; P335-P383 HydrophobicContact CB-CB 3.77Å; P335-P383 HydrophobicContact CB-CG 3.71Å; P335-P383 HydrophobicContact CG-CB 4.08Å; P335-P383 HydrophobicContact CG-CG 3.79Å; P335-Y401 HydrophobicContact CB-CD1 4.46Å; P335-Y401 HydrophobicContact CB-CD2 3.99Å; P335-Y401 HydrophobicContact CB-CE1 4.43Å; P335-Y401 HydrophobicContact CB-CE2 3.94Å; P335-Y401 HydrophobicContact CB-CG 4.26Å; P335-Y401 HydrophobicContact CG-CE1 4.37Å | ||
| 336 | Q | 77.4 | Confident | 82.8 | Confident | 193 Ų | 193 | 90.9 Ų | 90.9 | 90% | 0.902 | 45% | 0.451 | S | S | * | . | trans | -77.1 | 81.1 | 177.9 | -66.8 | -179.3 | 0.6 | 0 | 0 | 110.3 | G338 | Q336-G338 PolarHBondContact O-N 3.27Š| ||
| 337 | M | 69.3 | Low | 83.2 | Confident | 58 Ų | 58 | 86.3 Ų | 86.3 | 29% | 0.286 | 42% | 0.424 | S | S | . | . | trans | -67 | -6.3 | -178 | -77.7 | -64.2 | -61 | 0 | 0 | 115.2 | W329 P335 S342 Y382 P383 | W329-M337 HydrophobicContact CH2-CE 4.11Å; W329-M337 HydrophobicContact CH2-CG 3.64Å; W329-M337 HydrophobicContact CH2-SD 3.63Å; W329-M337 HydrophobicContact CZ2-CE 4.49Å; W329-M337 HydrophobicContact CZ2-CG 4.16Å; W329-M337 HydrophobicContact CZ2-SD 3.69Å; W329-M337 HydrophobicContact CZ3-CG 4.16Å; P335-M337 VanDerWaalsContact C-N 3.29Å; P335-M337 HydrophobicContact CG-CG 4.35Å; P335-M337 PolarHBondContact O-N 3.05Å; M337-S342 WeakPolarHBondContact CE-OG 3.28Å; M337-Y382 HydrophobicContact CE-CD2 4.47Å; M337-Y382 HydrophobicContact CE-CE2 3.8Å; M337-Y382 HydrophobicContact SD-CE2 4.29Å; M337-P383 HydrophobicContact SD-CG 3.7Å | ||
| 338 | G | 66.1 | Low | 83.5 | Confident | 66 Ų | 66 | 85 Ų | 85 | 68% | 0.68 | 42% | 0.416 | S | S | * | . | trans | 83.5 | -164.5 | -167.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q336 E340 | Q336-G338 PolarHBondContact O-N 3.27Å; G338-E340 VanDerWaalsContact C-N 3.34Å | ||
| 339 | E | 55.3 | Low | 83.9 | Confident | 204 Ų | 204 | 87 Ų | 87 | 95% | 0.953 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -85.6 | -7 | -179.9 | -62 | 179.5 | 161.1 | 0 | 0 | 112.8 | ||
| 340 | E | 62.1 | Low | 84.4 | Confident | 70 Ų | 70 | 82.7 Ų | 82.7 | 33% | 0.327 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -103.4 | 103.5 | -169.6 | -68.9 | 169.8 | -155.8 | 0 | 0 | 111.7 | G338 S342 R410 | G338-E340 VanDerWaalsContact C-N 3.34Å; E340-S342 PolarHBondContact O-N 3.37Å; E340-S342 VanDerWaalsContact O-N 3.16Å; E340-S342 PolarHBondContact O-OG 3.48Å; E340-R410 IonicContact OE1-CZ 3.55Å; E340-R410 IonicContact OE1-NH1 2.79Å; E340-R410 PolarHBondContact OE1-NH1 2.73Å; E340-R410 IonicContact OE1-NH2 3.71Å; E340-R410 PolarHBondContact OE1-NH2 2.89Å; E340-R410 IonicContact OE2-CZ 3.54Å; E340-R410 IonicContact OE2-NE 3.5Å; E340-R410 IonicContact OE2-NH1 2.81Å; E340-R410 PolarHBondContact OE2-NH1 3.32Å; E340-R410 IonicContact OE2-NH2 2.71Å |
| 341 | Y | 72.8 | Confident | 85 | Confident | 209 Ų | 209 | 83.6 Ų | 83.6 | 82% | 0.82 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 119.4 | 173.6 | -172.9 | -93.5 | 0 | 0 | 0 | 110.2 | ||
| 342 | S | 85.5 | Confident | 85.6 | Confident | 12 Ų | 12 | 82.4 Ų | 82.4 | 8% | 0.084 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 118.4 | -173.6 | -56.8 | 0 | 0 | 0 | 0 | 110.3 | H317 M337 E340 | H317-S342 PolarHBondContact ND1-OG 2.69Å; H317-S342 CarbonylContact O-C 3.55Å; H317-S342 WeakPolarHBondContact O-CA 3.41Å; M337-S342 WeakPolarHBondContact CE-OG 3.28Å; E340-S342 PolarHBondContact O-N 3.37Å; E340-S342 VanDerWaalsContact O-N 3.16Å; E340-S342 PolarHBondContact O-OG 3.48Å |
| 343 | Q | 92.4 | Very high | 86.2 | Confident | 32 Ų | 32 | 76.1 Ų | 76.1 | 15% | 0.15 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 159.3 | 170.3 | -62.4 | -167.4 | 81.3 | 0 | 0 | 110.6 | L304 S308 C316 H317 I318 V319 | L304-Q343 HydrophobicContact CD1-CB 4.22Å; L304-Q343 PolarHBondContact O-NE2 3.05Å; S308-Q343 PolarHBondContact OG-NE2 2.93Å; C316-Q343 PolarHBondContact SG-NE2 3.03Å; H317-Q343 PolarHBondContact O-N 3.38Å; I318-Q343 CarbonylContact C-O 3.6Å; I318-Q343 WeakPolarHBondContact CA-O 3.44Å; I318-Q343 HydrophobicContact CG1-CB 4.49Å; V319-Q343 PolarHBondContact N-O 2.71Å |
| 344 | I | 95 | Very high | 86.9 | Confident | 57 Ų | 57 | 72.8 Ų | 72.8 | 29% | 0.292 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 131.9 | -172.7 | -54.5 | 177 | 0 | 0 | 0 | 110.1 | V319 L321 Y346 Y382 | V319-I344 WeakPolarHBondContact O-CA 3.24Å; L321-I344 HydrophobicContact CB-CG2 4.46Å; L321-I344 HydrophobicContact CD1-CG2 3.63Å; L321-I344 HydrophobicContact CG-CG2 3.88Å; I344-Y346 HydrophobicContact CB-CE2 4.39Å; I344-Y346 HydrophobicContact CG2-CD2 3.87Å; I344-Y346 HydrophobicContact CG2-CE2 3.5Å; I344-Y346 VanDerWaalsContact CG2-CE2 3.5Å; I344-Y382 VanDerWaalsContact CD1-OH 3.31Å; I344-Y382 WeakPolarHBondContact CD1-OH 3.35Å |
| 345 | I | 97.7 | Very high | 87.5 | Confident | 12 Ų | 12 | 75.1 Ų | 75.1 | 6% | 0.062 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 122.9 | 163.4 | -62.9 | 169.7 | 0 | 0 | 0 | 107.8 | M300 V301 L304 I318 V319 V320 L321 L350 | M300-I345 HydrophobicContact CB-CD1 4.05Å; M300-I345 HydrophobicContact CB-CG2 4.42Å; M300-I345 HydrophobicContact SD-CG2 4.05Å; V301-I345 HydrophobicContact CG2-CD1 3.94Å; L304-I345 HydrophobicContact CD1-CD1 4.02Å; L304-I345 HydrophobicContact CD1-CG1 3.45Å; L304-I345 VanDerWaalsContact CD1-CG1 3.45Å; I318-I345 HydrophobicContact CG2-CB 4.49Å; I318-I345 HydrophobicContact CG2-CD1 3.66Å; I318-I345 HydrophobicContact CG2-CG1 3.72Å; V319-I345 PolarHBondContact O-N 3.04Å; V320-I345 CarbonylContact C-O 3.54Å; V320-I345 WeakPolarHBondContact CA-O 3.5Å; L321-I345 PolarHBondContact N-O 3.47Å; I345-L350 HydrophobicContact CB-CD2 4.49Å; I345-L350 HydrophobicContact CD1-CD2 3.78Å; I345-L350 HydrophobicContact CG2-CD2 4.01Å |
| 346 | Y | 97.7 | Very high | 88.1 | Confident | 112 Ų | 112 | 80.4 Ų | 80.4 | 44% | 0.439 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 110.3 | 163.5 | -66.1 | -91.2 | 0 | 0 | 0 | 107.9 | L321 I344 | L321-Y346 HydrophobicContact CB-CD1 3.84Å; L321-Y346 HydrophobicContact CB-CE1 3.98Å; L321-Y346 HydrophobicContact CB-CG 4.49Å; L321-Y346 HydrophobicContact CD1-CD1 4.31Å; L321-Y346 HydrophobicContact CD1-CE1 3.61Å; L321-Y346 HydrophobicContact CG-CE1 4.41Å; I344-Y346 HydrophobicContact CB-CE2 4.39Å; I344-Y346 HydrophobicContact CG2-CD2 3.87Å; I344-Y346 HydrophobicContact CG2-CE2 3.5Å; I344-Y346 VanDerWaalsContact CG2-CE2 3.5Å |
| 347 | S | 98.2 | Very high | 89.1 | Confident | 10 Ų | 10 | 75.7 Ų | 75.7 | 7% | 0.07 | 35% | 0.349 | C | S | . | . | trans | -163.9 | 101.9 | 177.4 | -180 | 0 | 0 | 0 | 0 | 111 | L321 D323 K349 L350 Y351 | L321-S347 CarbonylContact O-C 3.48Å; L321-S347 PolarHBondContact O-N 3.31Å; D323-S347 WeakPolarHBondContact OD1-CA 3.22Å; D323-S347 PolarHBondContact OD1-N 3.3Å; S347-K349 PolarHBondContact O-N 2.95Å; S347-K349 VanDerWaalsContact O-N 3.15Å; S347-L350 PolarHBondContact O-N 3.48Å; S347-L350 VanDerWaalsContact O-N 3.14Å; S347-L350 WeakPolarHBondContact OG-CB 3.44Å; S347-L350 PolarHBondContact OG-N 3.03Å; S347-L350 VanDerWaalsContact OG-N 3.14Å; S347-Y351 PolarHBondContact O-N 3.32Å | ||
| 348 | T | 98.3 | Very high | 90.4 | Very high | 13 Ų | 13 | 77 Ų | 77 | 8% | 0.08 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.9 | -25.5 | 173.7 | -55.1 | 0 | 0 | 0 | 0 | 112.1 | T322 D323 R352 | T322-T348 HydrophobicContact CG2-CG2 4.3Å; D323-T348 PolarHBondContact N-OG1 2.8Å; D323-T348 PolarHBondContact OD1-N 2.83Å; D323-T348 VanDerWaalsContact OD1-N 3.13Å; D323-T348 WeakPolarHBondContact OD2-CB 3.22Å; D323-T348 PolarHBondContact OD2-N 3.16Å; D323-T348 PolarHBondContact OD2-OG1 2.95Å; T348-R352 HydrophobicContact CG2-CG 4.42Å; T348-R352 WeakPolarHBondContact O-CB 3.39Å; T348-R352 WeakPolarHBondContact O-CG 3.36Å; T348-R352 PolarHBondContact O-N 3.06Å |
| 349 | K | 98.3 | Very high | 92 | Very high | 146 Ų | 146 | 75.1 Ų | 75.1 | 64% | 0.635 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -66.5 | -50.2 | 173.9 | -64.6 | 178.4 | -176 | 172.2 | 0 | 111.3 | S347 R352 F353 | S347-K349 PolarHBondContact O-N 2.95Å; S347-K349 VanDerWaalsContact O-N 3.15Å; K349-R352 PolarHBondContact O-N 2.95Å; K349-F353 PolarHBondContact O-N 2.85Å |
| 350 | L | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.9 | -36.3 | 178.7 | -170.1 | 60.9 | 0 | 0 | 0 | 111.8 | Y296 M300 V320 I345 S347 F353 F354 | Y296-L350 HydrophobicContact CD2-CD1 3.61Å; Y296-L350 HydrophobicContact CE2-CD1 4.36Å; Y296-L350 HydrophobicContact CG-CD1 3.88Å; M300-L350 HydrophobicContact CE-CB 4.11Å; M300-L350 HydrophobicContact CE-CD1 4.36Å; M300-L350 HydrophobicContact CE-CD2 4.09Å; M300-L350 HydrophobicContact CE-CG 4.42Å; V320-L350 HydrophobicContact CG1-CB 3.8Å; V320-L350 HydrophobicContact CG1-CD2 3.93Å; V320-L350 HydrophobicContact CG1-CG 3.83Å; V320-L350 HydrophobicContact CG2-CD2 3.71Å; V320-L350 HydrophobicContact CG2-CG 4.09Å; I345-L350 HydrophobicContact CB-CD2 4.49Å; I345-L350 HydrophobicContact CD1-CD2 3.78Å; I345-L350 HydrophobicContact CG2-CD2 4.01Å; S347-L350 PolarHBondContact O-N 3.48Å; S347-L350 VanDerWaalsContact O-N 3.14Å; S347-L350 WeakPolarHBondContact OG-CB 3.44Å; S347-L350 PolarHBondContact OG-N 3.03Å; S347-L350 VanDerWaalsContact OG-N 3.14Å; L350-F353 HydrophobicContact CD1-CD1 4.42Å; L350-F353 WeakPolarHBondContact O-CB 3.35Å; L350-F353 PolarHBondContact O-N 2.86Å; L350-F354 HydrophobicContact CD1-CD2 3.95Å; L350-F354 HydrophobicContact CD1-CE2 3.5Å; L350-F354 VanDerWaalsContact CD1-CE2 3.5Å; L350-F354 HydrophobicContact CD1-CZ 4.17Å; L350-F354 HydrophobicContact CD2-CE2 4.16Å; L350-F354 HydrophobicContact CG-CD2 3.89Å; L350-F354 HydrophobicContact CG-CE2 3.67Å; L350-F354 WeakPolarHBondContact O-CD2 3.45Å; L350-F354 PolarHBondContact O-N 3.16Å |
| 351 | Y | 98.1 | Very high | 95.8 | Very high | 67 Ų | 67 | 68.1 Ų | 68.1 | 26% | 0.263 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.9 | -49.4 | 170.4 | 170.1 | -93.2 | 0 | 0 | 0 | 111.8 | T322 S347 F353 F354 K355 P407 | T322-Y351 HydrophobicContact CG2-CD1 3.52Å; T322-Y351 HydrophobicContact CG2-CD2 3.9Å; T322-Y351 HydrophobicContact CG2-CE1 4.06Å; T322-Y351 HydrophobicContact CG2-CE2 4.41Å; T322-Y351 HydrophobicContact CG2-CG 3.45Å; T322-Y351 VanDerWaalsContact CG2-CG 3.45Å; S347-Y351 PolarHBondContact O-N 3.32Å; Y351-F353 VanDerWaalsContact C-N 3.3Å; Y351-F353 PolarHBondContact O-N 2.86Å; Y351-F354 PolarHBondContact O-N 2.87Å; Y351-K355 PolarHBondContact O-N 2.89Å; Y351-P407 VanDerWaalsContact CD2-CD 3.46Å; Y351-P407 HydrophobicContact CD2-CG 3.96Å; Y351-P407 HydrophobicContact CE2-CG 4.46Å |
| 352 | R | 97.9 | Very high | 97 | Very high | 167 Ų | 167 | 59.3 Ų | 59.3 | 63% | 0.63 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.3 | -34.2 | 177.7 | -74.8 | 172.9 | -171.4 | 169.6 | 9.4 | 112.1 | T348 K349 K355 | T348-R352 HydrophobicContact CG2-CG 4.42Å; T348-R352 WeakPolarHBondContact O-CB 3.39Å; T348-R352 WeakPolarHBondContact O-CG 3.36Å; T348-R352 PolarHBondContact O-N 3.06Å; K349-R352 PolarHBondContact O-N 2.95Å; R352-K355 WeakPolarHBondContact O-CB 3.47Å |
| 353 | F | 98.5 | Very high | 97.6 | Very high | 8 Ų | 8 | 58.7 Ų | 58.7 | 4% | 0.035 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.7 | -54.1 | 174.5 | 177.3 | -93.6 | 0 | 0 | 0 | 111.8 | A289 Q292 F293 Y296 K349 L350 Y351 K355 N359 A363 | A289-F353 HydrophobicContact CB-CE2 3.92Å; A289-F353 HydrophobicContact CB-CZ 4.28Å; A289-F353 WeakPolarHBondContact O-CE2 3.21Å; Q292-F353 HydrophobicContact CB-CD2 4.34Å; Q292-F353 HydrophobicContact CB-CE2 4.18Å; F293-F353 HydrophobicContact CB-CE1 4.01Å; F293-F353 HydrophobicContact CB-CE2 4.38Å; F293-F353 HydrophobicContact CB-CZ 3.66Å; F293-F353 AromaticContact CD2-CE1 3.85Å; F293-F353 HydrophobicContact CD2-CE1 3.85Å; F293-F353 HydrophobicContact CD2-CZ 4.38Å; F293-F353 HydrophobicContact CG-CE1 4.23Å; F293-F353 HydrophobicContact CG-CZ 4.34Å; Y296-F353 HydrophobicContact CD2-CB 4.44Å; Y296-F353 HydrophobicContact CD2-CD2 4.44Å; Y296-F353 HydrophobicContact CD2-CG 4.19Å; Y296-F353 HydrophobicContact CE2-CB 3.89Å; Y296-F353 HydrophobicContact CE2-CD2 4.02Å; Y296-F353 AromaticContact CE2-CG 3.93Å; Y296-F353 HydrophobicContact CE2-CG 3.93Å; K349-F353 PolarHBondContact O-N 2.85Å; L350-F353 HydrophobicContact CD1-CD1 4.42Å; L350-F353 WeakPolarHBondContact O-CB 3.35Å; L350-F353 PolarHBondContact O-N 2.86Å; Y351-F353 VanDerWaalsContact C-N 3.3Å; Y351-F353 PolarHBondContact O-N 2.86Å; F353-K355 VanDerWaalsContact C-N 3.25Å; F353-K355 PolarHBondContact O-N 2.83Å; F353-N359 HydrophobicContact CD1-CB 4.39Å; F353-N359 HydrophobicContact CD2-CB 4.43Å; F353-N359 HydrophobicContact CE1-CB 3.94Å; F353-N359 HydrophobicContact CE2-CB 3.99Å; F353-N359 HydrophobicContact CZ-CB 3.7Å; F353-N359 VanDerWaalsContact O-CB 3.31Å; F353-N359 WeakPolarHBondContact O-CB 3.26Å; F353-N359 PolarHBondContact O-ND2 3.35Å; F353-A363 HydrophobicContact CE1-CB 4.24Å |
| 354 | F | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -75.7 | -5.2 | -177.6 | -71.3 | -53.9 | 0 | 0 | 0 | 115.4 | F293 V320 L350 Y351 Y356 R360 A363 L377 P407 I409 | F293-F354 HydrophobicContact CD2-CE1 4.3Å; F293-F354 HydrophobicContact CD2-CZ 4.12Å; F293-F354 HydrophobicContact CE2-CE1 4.14Å; F293-F354 AromaticContact CE2-CZ 3.66Å; F293-F354 HydrophobicContact CE2-CZ 3.66Å; V320-F354 HydrophobicContact CG2-CD2 4.21Å; V320-F354 HydrophobicContact CG2-CE2 4.16Å; L350-F354 HydrophobicContact CD1-CD2 3.95Å; L350-F354 HydrophobicContact CD1-CE2 3.5Å; L350-F354 VanDerWaalsContact CD1-CE2 3.5Å; L350-F354 HydrophobicContact CD1-CZ 4.17Å; L350-F354 HydrophobicContact CD2-CE2 4.16Å; L350-F354 HydrophobicContact CG-CD2 3.89Å; L350-F354 HydrophobicContact CG-CE2 3.67Å; L350-F354 WeakPolarHBondContact O-CD2 3.45Å; L350-F354 PolarHBondContact O-N 3.16Å; Y351-F354 PolarHBondContact O-N 2.87Å; F354-Y356 PolarHBondContact O-N 2.81Å; F354-Y356 VanDerWaalsContact O-O 3.06Å; F354-R360 HydrophobicContact CB-CG 4.25Å; F354-R360 HydrophobicContact CD1-CG 3.68Å; F354-R360 HydrophobicContact CG-CG 4.39Å; F354-R360 WeakPolarHBondContact O-CD 3.35Å; F354-R360 PolarHBondContact O-NE 3.37Å; F354-A363 HydrophobicContact CE1-CB 3.86Å; F354-L377 HydrophobicContact CD1-CD2 4.16Å; F354-L377 HydrophobicContact CE1-CD2 3.55Å; F354-L377 HydrophobicContact CZ-CD2 3.81Å; F354-P407 HydrophobicContact CB-CB 3.58Å; F354-P407 HydrophobicContact CB-CG 3.72Å; F354-P407 HydrophobicContact CD2-CB 3.97Å; F354-P407 HydrophobicContact CG-CB 4.11Å; F354-I409 HydrophobicContact CE2-CD1 3.73Å; F354-I409 HydrophobicContact CE2-CG1 3.98Å; F354-I409 HydrophobicContact CZ-CD1 3.72Å; F354-I409 HydrophobicContact CZ-CG1 4Å |
| 355 | K | 96.3 | Very high | 98.1 | Very high | 128 Ų | 128 | 60 Ų | 60 | 56% | 0.557 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -40.5 | 172.8 | -174.4 | -174.5 | 176.8 | -173.4 | 0 | 112 | Y351 R352 F353 R360 | Y351-K355 PolarHBondContact O-N 2.89Å; R352-K355 WeakPolarHBondContact O-CB 3.47Å; F353-K355 VanDerWaalsContact C-N 3.25Å; F353-K355 PolarHBondContact O-N 2.83Å; K355-R360 PolarHBondContact O-NH2 2.85Å |
| 356 | Y | 97.5 | Very high | 98.1 | Very high | 125 Ų | 125 | 59.5 Ų | 59.5 | 49% | 0.49 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -75.5 | 151.8 | 178.1 | -60.7 | -87.1 | 0 | 0 | 0 | 110.6 | F354 R360 | F354-Y356 PolarHBondContact O-N 2.81Å; F354-Y356 VanDerWaalsContact O-O 3.06Å; Y356-R360 PolarHBondContact O-NE 2.97Å; Y356-R360 PolarHBondContact O-NH2 2.9Å |
| 357 | I | 97.3 | Very high | 98.2 | Very high | 94 Ų | 94 | 54.2 Ų | 54.2 | 48% | 0.482 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -86.9 | -37.6 | 178.7 | -170.8 | 166 | 0 | 0 | 0 | 110.6 | N359 R360 D361 | I357-N359 PolarHBondContact O-N 2.89Å; I357-R360 WeakPolarHBondContact O-CA 3.27Å; I357-R360 WeakPolarHBondContact O-CB 3.23Å; I357-R360 PolarHBondContact O-N 3.19Å; I357-D361 PolarHBondContact O-N 2.79Å |
| 358 | E | 98 | Very high | 98.2 | Very high | 84 Ų | 84 | 59.3 Ų | 59.3 | 39% | 0.393 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -52.6 | -51.5 | 172.8 | -53.4 | 81.4 | 176.7 | 0 | 0 | 110.5 | R360 D361 V362 | E358-R360 VanDerWaalsContact C-N 3.27Å; E358-R360 PolarHBondContact O-N 2.86Å; E358-D361 PolarHBondContact O-N 2.98Å; E358-D361 VanDerWaalsContact O-N 3.13Å; E358-V362 WeakPolarHBondContact O-CG2 3.46Å; E358-V362 PolarHBondContact O-N 3Å |
| 359 | N | 98.6 | Very high | 98.1 | Very high | 27 Ų | 27 | 64.1 Ų | 64.1 | 14% | 0.144 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.9 | -32.3 | 175.9 | -69.5 | 4.5 | 0 | 0 | 0 | 113.4 | A289 F353 I357 A363 | A289-N359 WeakPolarHBondContact CB-OD1 3.47Å; F353-N359 HydrophobicContact CD1-CB 4.39Å; F353-N359 HydrophobicContact CD2-CB 4.43Å; F353-N359 HydrophobicContact CE1-CB 3.94Å; F353-N359 HydrophobicContact CE2-CB 3.99Å; F353-N359 HydrophobicContact CZ-CB 3.7Å; F353-N359 VanDerWaalsContact O-CB 3.31Å; F353-N359 WeakPolarHBondContact O-CB 3.26Å; F353-N359 PolarHBondContact O-ND2 3.35Å; I357-N359 PolarHBondContact O-N 2.89Å; N359-A363 VanDerWaalsContact O-CB 3.25Å; N359-A363 WeakPolarHBondContact O-CB 3.33Å; N359-A363 PolarHBondContact O-N 3.43Å |
| 360 | R | 98.5 | Very high | 98.1 | Very high | 43 Ų | 43 | 63.2 Ų | 63.2 | 16% | 0.162 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -72.3 | -38.7 | 175.7 | -81.3 | 175.9 | -80.2 | 147.9 | -8 | 111.3 | F354 K355 Y356 I357 E358 K364 L377 | F354-R360 HydrophobicContact CB-CG 4.25Å; F354-R360 HydrophobicContact CD1-CG 3.68Å; F354-R360 HydrophobicContact CG-CG 4.39Å; F354-R360 WeakPolarHBondContact O-CD 3.35Å; F354-R360 PolarHBondContact O-NE 3.37Å; K355-R360 PolarHBondContact O-NH2 2.85Å; Y356-R360 PolarHBondContact O-NE 2.97Å; Y356-R360 PolarHBondContact O-NH2 2.9Å; I357-R360 WeakPolarHBondContact O-CA 3.27Å; I357-R360 WeakPolarHBondContact O-CB 3.23Å; I357-R360 PolarHBondContact O-N 3.19Å; E358-R360 VanDerWaalsContact C-N 3.27Å; E358-R360 PolarHBondContact O-N 2.86Å; R360-K364 VanDerWaalsContact O-CB 3.22Å; R360-K364 WeakPolarHBondContact O-CB 3.41Å; R360-K364 PolarHBondContact O-N 2.91Å; R360-L377 HydrophobicContact CB-CB 4.37Å; R360-L377 HydrophobicContact CG-CB 4.42Å; R360-L377 WeakPolarHBondContact O-CD1 3.5Å |
| 361 | D | 98.3 | Very high | 98 | Very high | 84 Ų | 84 | 66 Ų | 66 | 45% | 0.449 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -72.6 | -36 | 176.2 | -74 | -46.8 | 0 | 0 | 0 | 112.4 | I357 E358 K364 S365 | I357-D361 PolarHBondContact O-N 2.79Å; E358-D361 PolarHBondContact O-N 2.98Å; E358-D361 VanDerWaalsContact O-N 3.13Å; D361-K364 WeakPolarHBondContact O-CB 3.13Å; D361-K364 PolarHBondContact O-N 3.22Å; D361-S365 PolarHBondContact O-N 2.85Å; D361-S365 PolarHBondContact O-OG 3.19Å |
| 362 | V | 98.6 | Very high | 97.9 | Very high | 24 Ų | 24 | 63.9 Ų | 63.9 | 15% | 0.145 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.5 | -51.6 | 169.2 | 171.8 | 0 | 0 | 0 | 0 | 111 | N286 A289 R290 E358 K364 S365 V366 | N286-V362 HydrophobicContact CB-CG2 4.19Å; A289-V362 HydrophobicContact CB-CG1 4.25Å; R290-V362 HydrophobicContact CB-CG1 3.85Å; E358-V362 WeakPolarHBondContact O-CG2 3.46Å; E358-V362 PolarHBondContact O-N 3Å; V362-K364 VanDerWaalsContact C-N 3.27Å; V362-K364 PolarHBondContact O-N 3.42Å; V362-S365 PolarHBondContact O-N 3.42Å; V362-V366 PolarHBondContact O-N 2.87Å |
| 363 | A | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.5 | -37.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F293 F353 F354 N359 S365 V366 L367 L377 | F293-A363 HydrophobicContact CB-CB 4.38Å; F293-A363 HydrophobicContact CD1-CB 3.61Å; F293-A363 HydrophobicContact CD2-CB 3.68Å; F293-A363 HydrophobicContact CE1-CB 3.77Å; F293-A363 HydrophobicContact CE2-CB 3.87Å; F293-A363 HydrophobicContact CG-CB 3.56Å; F293-A363 HydrophobicContact CZ-CB 3.9Å; F353-A363 HydrophobicContact CE1-CB 4.24Å; F354-A363 HydrophobicContact CE1-CB 3.86Å; N359-A363 VanDerWaalsContact O-CB 3.25Å; N359-A363 WeakPolarHBondContact O-CB 3.33Å; N359-A363 PolarHBondContact O-N 3.43Å; A363-S365 VanDerWaalsContact C-N 3.3Å; A363-S365 PolarHBondContact O-N 3.05Å; A363-V366 PolarHBondContact O-N 2.85Å; A363-L367 WeakPolarHBondContact O-CG 3.08Å; A363-L367 PolarHBondContact O-N 3.02Å; A363-L377 HydrophobicContact CB-CD1 3.98Å |
| 364 | K | 98.7 | Very high | 97.6 | Very high | 71 Ų | 71 | 65.5 Ų | 65.5 | 31% | 0.309 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63 | -34.2 | 175 | -168.3 | 177 | -173.7 | 178.5 | 0 | 112.4 | R360 D361 V362 K368 I375 L377 | R360-K364 VanDerWaalsContact O-CB 3.22Å; R360-K364 WeakPolarHBondContact O-CB 3.41Å; R360-K364 PolarHBondContact O-N 2.91Å; D361-K364 WeakPolarHBondContact O-CB 3.13Å; D361-K364 PolarHBondContact O-N 3.22Å; V362-K364 VanDerWaalsContact C-N 3.27Å; V362-K364 PolarHBondContact O-N 3.42Å; K364-K368 VanDerWaalsContact O-CG 3.28Å; K364-K368 WeakPolarHBondContact O-CG 3.48Å; K364-K368 PolarHBondContact O-N 2.81Å; K364-I375 HydrophobicContact CG-CG2 3.97Å; K364-L377 HydrophobicContact CB-CD1 3.87Å |
| 365 | S | 98.4 | Very high | 97.6 | Very high | 46 Ų | 46 | 66.5 Ų | 66.5 | 32% | 0.322 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -71.6 | -47 | 173.8 | -67 | 0 | 0 | 0 | 0 | 111.7 | D361 V362 A363 L367 K368 E369 | D361-S365 PolarHBondContact O-N 2.85Å; D361-S365 PolarHBondContact O-OG 3.19Å; V362-S365 PolarHBondContact O-N 3.42Å; A363-S365 VanDerWaalsContact C-N 3.3Å; A363-S365 PolarHBondContact O-N 3.05Å; S365-L367 VanDerWaalsContact C-N 3.31Å; S365-L367 PolarHBondContact O-N 2.9Å; S365-K368 WeakPolarHBondContact O-CB 3.39Å; S365-K368 PolarHBondContact O-N 3.2Å; S365-E369 WeakPolarHBondContact O-CG 3.44Å; S365-E369 PolarHBondContact O-N 3.33Å |
| 366 | V | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -54.7 | -45.6 | 174.3 | 177.2 | 0 | 0 | 0 | 0 | 111.6 | R290 F293 E294 L297 V362 A363 K368 E369 R370 | R290-V366 HydrophobicContact CG-CG2 3.81Å; F293-V366 HydrophobicContact CD1-CB 3.79Å; F293-V366 HydrophobicContact CD1-CG1 3.87Å; F293-V366 HydrophobicContact CD1-CG2 4.18Å; F293-V366 HydrophobicContact CE1-CB 4.06Å; F293-V366 HydrophobicContact CE1-CG1 4.05Å; E294-V366 HydrophobicContact CG-CG1 3.76Å; E294-V366 HydrophobicContact CG-CG2 4.33Å; L297-V366 HydrophobicContact CD2-CG1 3.98Å; V362-V366 PolarHBondContact O-N 2.87Å; A363-V366 PolarHBondContact O-N 2.85Å; V366-K368 PolarHBondContact O-N 3.06Å; V366-E369 PolarHBondContact O-N 2.85Å; V366-R370 HydrophobicContact CG1-CG 4.5Å; V366-R370 WeakPolarHBondContact O-CG 3.45Å; V366-R370 PolarHBondContact O-N 2.85Å |
| 367 | L | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.4 | -38.1 | 177.4 | -68.9 | 172.4 | 0 | 0 | 0 | 112.6 | F293 L297 A363 S365 L372 I375 L377 I409 M411 | F293-L367 HydrophobicContact CE1-CD2 4.06Å; F293-L367 HydrophobicContact CE1-CG 3.87Å; F293-L367 HydrophobicContact CZ-CD1 4.22Å; F293-L367 HydrophobicContact CZ-CD2 4Å; F293-L367 HydrophobicContact CZ-CG 3.99Å; L297-L367 HydrophobicContact CD1-CD2 3.81Å; L297-L367 HydrophobicContact CD2-CD2 4.22Å; A363-L367 WeakPolarHBondContact O-CG 3.08Å; A363-L367 PolarHBondContact O-N 3.02Å; S365-L367 VanDerWaalsContact C-N 3.31Å; S365-L367 PolarHBondContact O-N 2.9Å; L367-L372 HydrophobicContact CB-CD1 4.15Å; L367-L372 HydrophobicContact CD2-CD1 3.55Å; L367-L372 HydrophobicContact CG-CD1 4.42Å; L367-L372 VanDerWaalsContact O-CB 3.26Å; L367-L372 WeakPolarHBondContact O-CB 3.39Å; L367-L372 PolarHBondContact O-N 2.85Å; L367-I375 HydrophobicContact CB-CD1 3.57Å; L367-I375 HydrophobicContact CB-CG1 4.16Å; L367-I375 HydrophobicContact CB-CG2 4.37Å; L367-I375 HydrophobicContact CD1-CG2 3.79Å; L367-L377 HydrophobicContact CD1-CD1 4Å; L367-I409 HydrophobicContact CD1-CG2 4.04Å; L367-M411 HydrophobicContact CD1-SD 4.33Å; L367-M411 HydrophobicContact CD2-SD 4.17Å |
| 368 | K | 98.1 | Very high | 97.6 | Very high | 118 Ų | 118 | 57.2 Ų | 57.2 | 51% | 0.513 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 174.2 | -69 | 165.5 | -168 | 162.3 | 0 | 111.6 | K364 S365 V366 R370 G371 I375 | K364-K368 VanDerWaalsContact O-CG 3.28Å; K364-K368 WeakPolarHBondContact O-CG 3.48Å; K364-K368 PolarHBondContact O-N 2.81Å; S365-K368 WeakPolarHBondContact O-CB 3.39Å; S365-K368 PolarHBondContact O-N 3.2Å; V366-K368 PolarHBondContact O-N 3.06Å; K368-R370 VanDerWaalsContact C-N 3.3Å; K368-R370 PolarHBondContact O-N 2.94Å; K368-G371 WeakPolarHBondContact O-CA 3.34Å; K368-G371 PolarHBondContact O-N 2.9Å; K368-I375 HydrophobicContact CB-CD1 4.34Å; K368-I375 HydrophobicContact CG-CD1 3.72Å |
| 369 | E | 97.6 | Very high | 97.5 | Very high | 114 Ų | 114 | 56.4 Ų | 56.4 | 53% | 0.533 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.5 | -34.9 | -179.1 | -69.1 | 166.8 | -134.1 | 0 | 0 | 111.5 | R290 S365 V366 G371 | R290-E369 IonicContact CZ-OE1 3.55Å; R290-E369 IonicContact CZ-OE2 2.64Å; R290-E369 VanDerWaalsContact NH1-CD 3.29Å; R290-E369 IonicContact NH1-OE1 2.88Å; R290-E369 PolarHBondContact NH1-OE1 3.42Å; R290-E369 IonicContact NH1-OE2 3.03Å; R290-E369 PolarHBondContact NH1-OE2 3.05Å; R290-E369 IonicContact NH2-OE2 3.06Å; R290-E369 PolarHBondContact NH2-OE2 3.09Å; S365-E369 WeakPolarHBondContact O-CG 3.44Å; S365-E369 PolarHBondContact O-N 3.33Å; V366-E369 PolarHBondContact O-N 2.85Å; E369-G371 PolarHBondContact O-N 3.24Å; E369-G371 VanDerWaalsContact O-N 3.16Å |
| 370 | R | 96.9 | Very high | 97.3 | Very high | 126 Ų | 126 | 59.1 Ų | 59.1 | 48% | 0.475 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 10.9 | 167.4 | -61.1 | -59.4 | -167.6 | 96.3 | 5.5 | 113.8 | L297 E298 V366 K368 | L297-R370 HydrophobicContact CD2-CG 4.1Å; E298-R370 IonicContact OE1-CZ 2.79Å; E298-R370 IonicContact OE1-NH1 3.64Å; E298-R370 PolarHBondContact OE1-NH1 2.91Å; E298-R370 IonicContact OE1-NH2 3.85Å; E298-R370 PolarHBondContact OE1-NH2 2.7Å; V366-R370 HydrophobicContact CG1-CG 4.5Å; V366-R370 WeakPolarHBondContact O-CG 3.45Å; V366-R370 PolarHBondContact O-N 2.85Å; K368-R370 VanDerWaalsContact C-N 3.3Å; K368-R370 PolarHBondContact O-N 2.94Å |
| 371 | G | 96 | Very high | 97 | Very high | 60 Ų | 60 | 58.8 Ų | 58.8 | 62% | 0.619 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | 6.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | K368 E369 | K368-G371 WeakPolarHBondContact O-CA 3.34Å; K368-G371 PolarHBondContact O-N 2.9Å; E369-G371 PolarHBondContact O-N 3.24Å; E369-G371 VanDerWaalsContact O-N 3.16Å |
| 372 | L | 97.1 | Very high | 96.8 | Very high | 22 Ų | 22 | 55.2 Ų | 55.2 | 12% | 0.115 | 28% | 0.279 | C | S | . | . | trans | -82.2 | 145.7 | -173.2 | -56.3 | 166.3 | 0 | 0 | 0 | 112.5 | M305 L367 I375 M411 W413 | M305-L372 HydrophobicContact CE-CD1 3.8Å; M305-L372 HydrophobicContact CE-CD2 3.68Å; M305-L372 HydrophobicContact CE-CG 4.4Å; M305-L372 HydrophobicContact SD-CD1 4.44Å; L367-L372 HydrophobicContact CB-CD1 4.15Å; L367-L372 HydrophobicContact CD2-CD1 3.55Å; L367-L372 HydrophobicContact CG-CD1 4.42Å; L367-L372 VanDerWaalsContact O-CB 3.26Å; L367-L372 WeakPolarHBondContact O-CB 3.39Å; L367-L372 PolarHBondContact O-N 2.85Å; L372-I375 HydrophobicContact CB-CD1 4.15Å; L372-I375 HydrophobicContact CB-CG1 4.23Å; L372-I375 VanDerWaalsContact O-CD1 3.27Å; L372-I375 WeakPolarHBondContact O-CD1 3.34Å; L372-M411 HydrophobicContact CB-CB 4.44Å; L372-M411 HydrophobicContact CD1-CB 4.49Å; L372-M411 HydrophobicContact CD1-CG 4.24Å; L372-M411 HydrophobicContact CD1-SD 4.45Å; L372-W413 HydrophobicContact CD2-CB 4.13Å | ||
| 373 | K | 95.1 | Very high | 96.5 | Very high | 89 Ų | 89 | 54.4 Ų | 54.4 | 39% | 0.387 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 171.4 | -178.4 | -69.4 | -173.9 | 169.7 | -169.6 | 0 | 111.7 | I375 S412 E416 | K373-I375 PolarHBondContact O-N 2.94Å; K373-S412 PolarHBondContact N-O 2.69Å; K373-S412 PolarHBondContact O-N 2.81Å; K373-E416 IonicContact NZ-OE2 2.63Å; K373-E416 PolarHBondContact NZ-OE2 2.69Å |
| 374 | K | 95.3 | Very high | 96.1 | Very high | 119 Ų | 119 | 54.5 Ų | 54.5 | 52% | 0.517 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 55.3 | 21.3 | 175.5 | -58.5 | 176.1 | 176.3 | 171.7 | 0 | 114.8 | R376 E414 | K374-R376 PolarHBondContact O-N 3.41Å; K374-E414 IonicContact NZ-OE2 2.62Å; K374-E414 PolarHBondContact NZ-OE2 3.29Å |
| 375 | I | 97.6 | Very high | 95.6 | Very high | 21 Ų | 21 | 56.3 Ų | 56.3 | 11% | 0.108 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 116 | -168.9 | -56.6 | 153.6 | 0 | 0 | 0 | 112 | K364 L367 K368 L372 K373 L377 R410 M411 | K364-I375 HydrophobicContact CG-CG2 3.97Å; L367-I375 HydrophobicContact CB-CD1 3.57Å; L367-I375 HydrophobicContact CB-CG1 4.16Å; L367-I375 HydrophobicContact CB-CG2 4.37Å; L367-I375 HydrophobicContact CD1-CG2 3.79Å; K368-I375 HydrophobicContact CB-CD1 4.34Å; K368-I375 HydrophobicContact CG-CD1 3.72Å; L372-I375 HydrophobicContact CB-CD1 4.15Å; L372-I375 HydrophobicContact CB-CG1 4.23Å; L372-I375 VanDerWaalsContact O-CD1 3.27Å; L372-I375 WeakPolarHBondContact O-CD1 3.34Å; K373-I375 PolarHBondContact O-N 2.94Å; I375-L377 HydrophobicContact CG2-CD1 4.28Å; I375-L377 HydrophobicContact CG2-CG 4.49Å; I375-R410 CarbonylContact C-O 3.58Å; I375-R410 VanDerWaalsContact CA-O 3.29Å; I375-R410 WeakPolarHBondContact CA-O 3.4Å; I375-M411 HydrophobicContact CG1-CB 4.15Å |
| 376 | R | 97 | Very high | 95.2 | Very high | 116 Ų | 116 | 56.8 Ų | 56.8 | 44% | 0.438 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 129.9 | 166.7 | -72.1 | 173.4 | 56.4 | -168.5 | -6.4 | 109.2 | K374 E380 F408 R410 | K374-R376 PolarHBondContact O-N 3.41Å; R376-E380 IonicContact CZ-OE1 2.58Å; R376-E380 IonicContact NH2-OE1 2.75Å; R376-E380 PolarHBondContact NH2-OE1 2.89Å; R376-E380 IonicContact NH2-OE2 2.64Å; R376-F408 HydrophobicContact CB-CE2 3.81Å; R376-F408 HydrophobicContact CB-CZ 4.26Å; R376-R410 HydrophobicContact CB-CB 4.35Å; R376-R410 PolarHBondContact N-O 3.48Å; R376-R410 PolarHBondContact O-N 2.77Å |
| 377 | L | 97.8 | Very high | 94.6 | Very high | 27 Ų | 27 | 61.1 Ų | 61.1 | 14% | 0.141 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 128.9 | 174.1 | -88.1 | 161.3 | 0 | 0 | 0 | 107.1 | F354 R360 A363 K364 L367 I375 I409 | F354-L377 HydrophobicContact CD1-CD2 4.16Å; F354-L377 HydrophobicContact CE1-CD2 3.55Å; F354-L377 HydrophobicContact CZ-CD2 3.81Å; R360-L377 HydrophobicContact CB-CB 4.37Å; R360-L377 HydrophobicContact CG-CB 4.42Å; R360-L377 WeakPolarHBondContact O-CD1 3.5Å; A363-L377 HydrophobicContact CB-CD1 3.98Å; K364-L377 HydrophobicContact CB-CD1 3.87Å; L367-L377 HydrophobicContact CD1-CD1 4Å; I375-L377 HydrophobicContact CG2-CD1 4.28Å; I375-L377 HydrophobicContact CG2-CG 4.49Å; L377-I409 HydrophobicContact CD2-CB 4.1Å; L377-I409 HydrophobicContact CD2-CG1 3.82Å; L377-I409 HydrophobicContact CD2-CG2 3.85Å; L377-I409 HydrophobicContact CG-CG2 4.29Å |
| 378 | G | 96.4 | Very high | 93.9 | Very high | 9 Ų | 9 | 66.2 Ų | 66.2 | 9% | 0.093 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.3 | -166.3 | -175 | 0 | 0 | 0 | 0 | 0 | 112.2 | P407 F408 | G378-P407 VanDerWaalsContact O-CA 3.24Å; G378-P407 WeakPolarHBondContact O-CA 3.33Å; G378-F408 VanDerWaalsContact C-CD1 3.48Å; G378-F408 VanDerWaalsContact C-CE1 3.42Å; G378-F408 PolarHBondContact N-O 2.63Å; G378-F408 WeakPolarHBondContact O-CD1 3.39Å; G378-F408 PolarHBondContact O-N 3.29Å |
| 379 | I | 96.1 | Very high | 93.2 | Very high | 68 Ų | 68 | 63.3 Ų | 63.3 | 35% | 0.349 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 121.3 | 173.7 | -63.4 | 168.1 | 0 | 0 | 0 | 105.9 | Q405 R406 P407 | I379-Q405 HydrophobicContact CG2-CB 3.9Å; I379-R406 WeakPolarHBondContact CA-O 3.16Å; I379-P407 HydrophobicContact CG1-CG 4.47Å |
| 380 | E | 93.1 | Very high | 92.4 | Very high | 84 Ų | 84 | 62.5 Ų | 62.5 | 39% | 0.393 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 167.8 | -179.3 | -80 | 175.2 | -156.9 | 0 | 0 | 109.6 | R376 R406 F408 | R376-E380 IonicContact CZ-OE1 2.58Å; R376-E380 IonicContact NH2-OE1 2.75Å; R376-E380 PolarHBondContact NH2-OE1 2.89Å; R376-E380 IonicContact NH2-OE2 2.64Å; E380-R406 PolarHBondContact N-O 2.88Å; E380-R406 PolarHBondContact O-N 2.89Å; E380-F408 HydrophobicContact CB-CD1 3.89Å; E380-F408 HydrophobicContact CB-CE1 4.13Å; E380-F408 HydrophobicContact CG-CD1 3.81Å; E380-F408 HydrophobicContact CG-CE1 3.5Å; E380-F408 HydrophobicContact CG-CZ 4.32Å; E380-F408 WeakPolarHBondContact OE1-CE1 3.48Å; E380-F408 WeakPolarHBondContact OE1-CZ 3.46Å |
| 381 | G | 93.7 | Very high | 91.4 | Very high | 36 Ų | 36 | 63.8 Ų | 63.8 | 37% | 0.371 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 114 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y403 | G381-Y403 WeakPolarHBondContact O-CD1 3.31Å |
| 382 | Y | 93.3 | Very high | 90.5 | Very high | 9 Ų | 9 | 67.8 Ų | 67.8 | 4% | 0.035 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 131.9 | 178.6 | -167.3 | -101.3 | 0 | 0 | 0 | 111.8 | V319 L321 V327 W329 M337 I344 Y403 V404 | V319-Y382 HydrophobicContact CB-CD2 4.07Å; V319-Y382 HydrophobicContact CB-CE2 4.05Å; V319-Y382 HydrophobicContact CG1-CD2 3.7Å; V319-Y382 HydrophobicContact CG1-CE2 4.09Å; V319-Y382 HydrophobicContact CG1-CG 3.92Å; V319-Y382 HydrophobicContact CG2-CD2 3.73Å; V319-Y382 HydrophobicContact CG2-CE2 3.79Å; L321-Y382 HydrophobicContact CD1-CE1 4.31Å; L321-Y382 HydrophobicContact CD2-CD1 4.01Å; L321-Y382 HydrophobicContact CD2-CE1 4.41Å; V327-Y382 HydrophobicContact CG1-CE1 4.27Å; V327-Y382 HydrophobicContact CG2-CE1 4.03Å; W329-Y382 HydrophobicContact CZ2-CE1 4.07Å; W329-Y382 HydrophobicContact CZ2-CE2 4.36Å; W329-Y382 AromaticContact CZ2-CZ 3.68Å; W329-Y382 VanDerWaalsContact CZ2-OH 3.31Å; W329-Y382 WeakPolarHBondContact CZ2-OH 3.31Å; M337-Y382 HydrophobicContact CE-CD2 4.47Å; M337-Y382 HydrophobicContact CE-CE2 3.8Å; M337-Y382 HydrophobicContact SD-CE2 4.29Å; I344-Y382 VanDerWaalsContact CD1-OH 3.31Å; I344-Y382 WeakPolarHBondContact CD1-OH 3.35Å; Y382-Y403 WeakPolarHBondContact O-CA 3.29Å; Y382-V404 PolarHBondContact N-O 3.28Å; Y382-V404 PolarHBondContact O-N 3.16Å |
| 383 | P | 92.8 | Very high | 89.4 | Confident | 6 Ų | 6 | 73 Ų | 73 | 4% | 0.039 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 129.3 | 178.9 | 29.6 | -32.6 | 0 | 0 | 0 | 111 | W329 P335 M337 Y401 N402 Y403 | W329-P383 HydrophobicContact CZ2-CG 4.09Å; W329-P383 PolarHBondContact NE1-O 3.24Å; P335-P383 HydrophobicContact CB-CB 3.77Å; P335-P383 HydrophobicContact CB-CG 3.71Å; P335-P383 HydrophobicContact CG-CB 4.08Å; P335-P383 HydrophobicContact CG-CG 3.79Å; M337-P383 HydrophobicContact SD-CG 3.7Å; P383-Y401 HydrophobicContact CB-CD1 4.28Å; P383-Y401 HydrophobicContact CB-CG 4.28Å; P383-N402 WeakPolarHBondContact CA-O 3.43Å; P383-Y403 HydrophobicContact CB-CD1 4.25Å; P383-Y403 HydrophobicContact CB-CE1 3.8Å; P383-Y403 HydrophobicContact CG-CE1 4.25Å |
| 384 | T | 90.2 | Very high | 88.4 | Confident | 3 Ų | 3 | 73.4 Ų | 73.4 | 2% | 0.018 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | -72.6 | -178.5 | 39.7 | 0 | 0 | 0 | 0 | 112 | V326 D328 W329 N402 V404 | V326-T384 WeakPolarHBondContact O-CB 3.46Å; D328-T384 CarbonylContact C-O 3.5Å; D328-T384 PolarHBondContact N-O 3.16Å; W329-T384 VanDerWaalsContact CD1-O 3.32Å; T384-N402 PolarHBondContact N-O 3.28Å; T384-N402 PolarHBondContact OG1-ND2 3.02Å; T384-N402 PolarHBondContact OG1-O 2.98Å; T384-V404 HydrophobicContact CG2-CB 4.43Å; T384-V404 HydrophobicContact CG2-CG1 4.04Å; T384-V404 HydrophobicContact CG2-CG2 3.51Å |
| 385 | Y | 88.7 | Confident | 87.5 | Confident | 109 Ų | 109 | 69.7 Ų | 69.7 | 43% | 0.427 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 155.3 | -178.1 | 60.4 | -95.9 | 0 | 0 | 0 | 112.2 | D328 E387 Y401 N402 | D328-Y385 WeakPolarHBondContact O-CA 3.31Å; Y385-E387 HydrophobicContact CE2-CG 4.38Å; Y385-E387 PolarHBondContact O-N 2.9Å; Y385-Y401 VanDerWaalsContact C-CD1 3.44Å; Y385-Y401 CarbonylContact O-C 3.59Å; Y385-Y401 WeakPolarHBondContact O-CA 3.31Å; Y385-Y401 WeakPolarHBondContact O-CD1 3.29Å; Y385-N402 HydrophobicContact CD1-CB 4.27Å; Y385-N402 HydrophobicContact CD2-CB 4.13Å; Y385-N402 HydrophobicContact CE1-CB 3.89Å; Y385-N402 WeakPolarHBondContact CE1-ND2 3.42Å; Y385-N402 HydrophobicContact CE2-CB 3.73Å; Y385-N402 HydrophobicContact CG-CB 4.37Å; Y385-N402 PolarHBondContact O-N 3.16Å |
| 386 | K | 88.9 | Confident | 86.5 | Confident | 55 Ų | 55 | 79.5 Ų | 79.5 | 24% | 0.239 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 111.7 | 178.9 | 177.3 | 173.9 | 170.4 | -174.9 | 0 | 110.4 | D330 V399 Y401 | D330-K386 HydrophobicContact CB-CB 4.28Å; D330-K386 HydrophobicContact CB-CD 3.37Å; D330-K386 HydrophobicContact CB-CG 4.48Å; D330-K386 IonicContact OD1-NZ 2.73Å; D330-K386 PolarHBondContact OD1-NZ 3.42Å; D330-K386 WeakPolarHBondContact OD2-CD 3.46Å; D330-K386 IonicContact OD2-NZ 3.62Å; D330-K386 PolarHBondContact OD2-NZ 3.04Å; K386-V399 HydrophobicContact CD-CG1 4Å; K386-V399 HydrophobicContact CG-CG1 3.91Å; K386-Y401 HydrophobicContact CB-CD1 4.41Å; K386-Y401 HydrophobicContact CB-CE1 3.97Å |
| 387 | E | 86 | Confident | 85.6 | Confident | 92 Ų | 92 | 76.3 Ų | 76.3 | 43% | 0.43 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | -48.8 | 176.8 | -68 | -172 | 152.4 | 0 | 0 | 112.3 | Y385 I400 N402 | Y385-E387 HydrophobicContact CE2-CG 4.38Å; Y385-E387 PolarHBondContact O-N 2.9Å; E387-I400 WeakPolarHBondContact CB-O 3.28Å; E387-I400 PolarHBondContact N-O 3.12Å; E387-I400 WeakPolarHBondContact OE2-CG2 3.46Å; E387-N402 HydrophobicContact CG-CB 4.05Å |
| 388 | K | 84.4 | Confident | 84.8 | Confident | 107 Ų | 107 | 78 Ų | 78 | 47% | 0.465 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.6 | 149 | -168 | 54.3 | -175.6 | 169.8 | -78.2 | 0 | 113.4 | I400 | K388-I400 HydrophobicContact CD-CD1 4.34Å; K388-I400 HydrophobicContact CG-CB 3.92Å; K388-I400 HydrophobicContact CG-CD1 4.15Å; K388-I400 HydrophobicContact CG-CG1 4.49Å; K388-I400 HydrophobicContact CG-CG2 4.38Å; K388-I400 PolarHBondContact N-O 2.98Å; K388-I400 PolarHBondContact O-N 2.73Å |
| 389 | V | 82.3 | Confident | 84.3 | Confident | 57 Ų | 57 | 79.4 Ų | 79.4 | 35% | 0.345 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 108.4 | 168.5 | -176.3 | 0 | 0 | 0 | 0 | 109 | K391 P397 V399 | V389-K391 HydrophobicContact CG1-CG 4.25Å; V389-K391 PolarHBondContact O-N 3.19Å; V389-P397 HydrophobicContact CG1-CB 3.66Å; V389-V399 HydrophobicContact CG1-CG2 4.25Å; V389-V399 HydrophobicContact CG2-CG2 4.14Å |
| 390 | K | 80.9 | Confident | 83.9 | Confident | 97 Ų | 97 | 78.6 Ų | 78.6 | 42% | 0.422 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 98.8 | 178.9 | 179.1 | -176.5 | 166.8 | -141.5 | 0 | 109.7 | R392 E398 I400 | K390-R392 PolarHBondContact O-N 2.98Å; K390-E398 HydrophobicContact CB-CB 4.2Å; K390-E398 WeakPolarHBondContact CD-OE2 3.49Å; K390-E398 WeakPolarHBondContact CE-OE2 3.24Å; K390-E398 PolarHBondContact N-O 2.76Å; K390-E398 IonicContact NZ-OE2 3.58Å; K390-E398 PolarHBondContact NZ-OE2 2.64Å; K390-E398 WeakPolarHBondContact O-CB 3.5Å; K390-E398 PolarHBondContact O-N 2.75Å; K390-I400 HydrophobicContact CB-CD1 4.18Å; K390-I400 HydrophobicContact CD-CD1 4.16Å |
| 391 | K | 77.1 | Confident | 83.8 | Confident | 154 Ų | 154 | 75.3 Ų | 75.3 | 67% | 0.67 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 114.1 | 172.9 | -66.2 | -176.2 | 179 | 179.8 | 0 | 109.9 | V389 P397 | V389-K391 HydrophobicContact CG1-CG 4.25Å; V389-K391 PolarHBondContact O-N 3.19Å; K391-P397 HydrophobicContact CG-CB 4.29Å |
| 392 | R | 76.1 | Confident | 83.7 | Confident | 144 Ų | 144 | 75.4 Ų | 75.4 | 54% | 0.543 | 39% | 0.387 | S | S | . | . | trans | -80.7 | 140.9 | 170 | -168.8 | -178.7 | -62.3 | -120.1 | 6.3 | 108.8 | K390 G394 G395 E398 | K390-R392 PolarHBondContact O-N 2.98Å; R392-G394 PolarHBondContact O-N 2.79Å; R392-G394 VanDerWaalsContact O-N 3.16Å; R392-G395 PolarHBondContact O-N 3.06Å; R392-E398 IonicContact CZ-OE1 3.19Å; R392-E398 IonicContact NE-OE1 2.84Å; R392-E398 PolarHBondContact NE-OE1 2.58Å; R392-E398 IonicContact NH2-OE1 2.69Å; R392-E398 PolarHBondContact NH2-OE1 2.75Å; R392-E398 IonicContact NH2-OE2 3.68Å | ||
| 393 | P | 74.1 | Confident | 83.7 | Confident | 132 Ų | 132 | 81 Ų | 81 | 86% | 0.857 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 121.8 | 177.5 | -26.7 | 35.3 | 0 | 0 | 0 | 111.6 | G395 | P393-G395 PolarHBondContact O-N 3.16Š|
| 394 | G | 73.8 | Confident | 83.8 | Confident | 97 Ų | 97 | 82 Ų | 82 | 100% | 1 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 3.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | R392 | R392-G394 PolarHBondContact O-N 2.79Å; R392-G394 VanDerWaalsContact O-N 3.16Å |
| 395 | G | 77.5 | Confident | 84.1 | Confident | 40 Ų | 40 | 87.1 Ų | 87.1 | 41% | 0.412 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -100.2 | 163.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | R392 P393 | R392-G395 PolarHBondContact O-N 3.06Å; P393-G395 PolarHBondContact O-N 3.16Å |
| 396 | R | 76.8 | Confident | 84.5 | Confident | 228 Ų | 228 | 83.5 Ų | 83.5 | 86% | 0.86 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 152.6 | 163.4 | -69.8 | -175.6 | 177.5 | -177.6 | -1.4 | 110 | E398 | R396-E398 PolarHBondContact O-N 3.07Š|
| 397 | P | 77.2 | Confident | 84.9 | Confident | 49 Ų | 49 | 81 Ų | 81 | 32% | 0.318 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 125.8 | 174.8 | -18.7 | 31.6 | 0 | 0 | 0 | 111.6 | Y333 V389 K391 | Y333-P397 HydrophobicContact CE1-CB 4.42Å; Y333-P397 HydrophobicContact CE1-CG 4.35Å; V389-P397 HydrophobicContact CG1-CB 3.66Å; K391-P397 HydrophobicContact CG-CB 4.29Å |
| 398 | E | 81.6 | Confident | 85.4 | Confident | 62 Ų | 62 | 77.1 Ų | 77.1 | 29% | 0.29 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 108.6 | 168.6 | -66.6 | 167 | -160.4 | 0 | 0 | 107.8 | K390 R392 R396 | K390-E398 HydrophobicContact CB-CB 4.2Å; K390-E398 WeakPolarHBondContact CD-OE2 3.49Å; K390-E398 WeakPolarHBondContact CE-OE2 3.24Å; K390-E398 PolarHBondContact N-O 2.76Å; K390-E398 IonicContact NZ-OE2 3.58Å; K390-E398 PolarHBondContact NZ-OE2 2.64Å; K390-E398 WeakPolarHBondContact O-CB 3.5Å; K390-E398 PolarHBondContact O-N 2.75Å; R392-E398 IonicContact CZ-OE1 3.19Å; R392-E398 IonicContact NE-OE1 2.84Å; R392-E398 PolarHBondContact NE-OE1 2.58Å; R392-E398 IonicContact NH2-OE1 2.69Å; R392-E398 PolarHBondContact NH2-OE1 2.75Å; R392-E398 IonicContact NH2-OE2 3.68Å; R396-E398 PolarHBondContact O-N 3.07Å |
| 399 | V | 85.9 | Confident | 86 | Confident | 39 Ų | 39 | 72 Ų | 72 | 24% | 0.236 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 133.2 | 177.2 | -176.8 | 0 | 0 | 0 | 0 | 110.1 | Y333 K386 V389 Y401 | Y333-V399 HydrophobicContact CD1-CG2 3.73Å; Y333-V399 HydrophobicContact CD2-CG2 4.31Å; Y333-V399 HydrophobicContact CG-CG2 3.64Å; K386-V399 HydrophobicContact CD-CG1 4Å; K386-V399 HydrophobicContact CG-CG1 3.91Å; V389-V399 HydrophobicContact CG1-CG2 4.25Å; V389-V399 HydrophobicContact CG2-CG2 4.14Å; V399-Y401 HydrophobicContact CG1-CD2 4.23Å; V399-Y401 HydrophobicContact CG1-CE2 3.82Å |
| 400 | I | 88 | Confident | 86.7 | Confident | 51 Ų | 51 | 71.2 Ų | 71.2 | 26% | 0.262 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 122.5 | -173.8 | -61.8 | 172.4 | 0 | 0 | 0 | 108.5 | E387 K388 K390 | E387-I400 WeakPolarHBondContact CB-O 3.28Å; E387-I400 PolarHBondContact N-O 3.12Å; E387-I400 WeakPolarHBondContact OE2-CG2 3.46Å; K388-I400 HydrophobicContact CD-CD1 4.34Å; K388-I400 HydrophobicContact CG-CB 3.92Å; K388-I400 HydrophobicContact CG-CD1 4.15Å; K388-I400 HydrophobicContact CG-CG1 4.49Å; K388-I400 HydrophobicContact CG-CG2 4.38Å; K388-I400 PolarHBondContact N-O 2.98Å; K388-I400 PolarHBondContact O-N 2.73Å; K390-I400 HydrophobicContact CB-CD1 4.18Å; K390-I400 HydrophobicContact CD-CD1 4.16Å |
| 401 | Y | 90.9 | Very high | 87.4 | Confident | 14 Ų | 14 | 66.6 Ų | 66.6 | 6% | 0.055 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 152 | 176.7 | -82.4 | -92.7 | 0 | 0 | 0 | 111.2 | D330 Y333 P335 P383 Y385 K386 V399 Y403 | D330-Y401 WeakPolarHBondContact CB-OH 3.45Å; D330-Y401 PolarHBondContact N-OH 2.69Å; D330-Y401 VanDerWaalsContact N-OH 3.16Å; Y333-Y401 WeakPolarHBondContact O-CE2 3.42Å; Y333-Y401 PolarHBondContact O-OH 2.68Å; P335-Y401 HydrophobicContact CB-CD1 4.46Å; P335-Y401 HydrophobicContact CB-CD2 3.99Å; P335-Y401 HydrophobicContact CB-CE1 4.43Å; P335-Y401 HydrophobicContact CB-CE2 3.94Å; P335-Y401 HydrophobicContact CB-CG 4.26Å; P335-Y401 HydrophobicContact CG-CE1 4.37Å; P383-Y401 HydrophobicContact CB-CD1 4.28Å; P383-Y401 HydrophobicContact CB-CG 4.28Å; Y385-Y401 VanDerWaalsContact C-CD1 3.44Å; Y385-Y401 CarbonylContact O-C 3.59Å; Y385-Y401 WeakPolarHBondContact O-CA 3.31Å; Y385-Y401 WeakPolarHBondContact O-CD1 3.29Å; K386-Y401 HydrophobicContact CB-CD1 4.41Å; K386-Y401 HydrophobicContact CB-CE1 3.97Å; V399-Y401 HydrophobicContact CG1-CD2 4.23Å; V399-Y401 HydrophobicContact CG1-CE2 3.82Å; Y401-Y403 VanDerWaalsContact O-CD2 3.24Å; Y401-Y403 WeakPolarHBondContact O-CD2 3.31Å; Y401-Y403 WeakPolarHBondContact O-CE2 3.42Å |
| 402 | N | 91.6 | Very high | 88.3 | Confident | 38 Ų | 38 | 59.3 Ų | 59.3 | 20% | 0.203 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 137.2 | 164.8 | 174.9 | 57.1 | 0 | 0 | 0 | 109.8 | P383 T384 Y385 E387 | P383-N402 WeakPolarHBondContact CA-O 3.43Å; T384-N402 PolarHBondContact N-O 3.28Å; T384-N402 PolarHBondContact OG1-ND2 3.02Å; T384-N402 PolarHBondContact OG1-O 2.98Å; Y385-N402 HydrophobicContact CD1-CB 4.27Å; Y385-N402 HydrophobicContact CD2-CB 4.13Å; Y385-N402 HydrophobicContact CE1-CB 3.89Å; Y385-N402 WeakPolarHBondContact CE1-ND2 3.42Å; Y385-N402 HydrophobicContact CE2-CB 3.73Å; Y385-N402 HydrophobicContact CG-CB 4.37Å; Y385-N402 PolarHBondContact O-N 3.16Å; E387-N402 HydrophobicContact CG-CB 4.05Å |
| 403 | Y | 93 | Very high | 89.2 | Confident | 127 Ų | 127 | 55.4 Ų | 55.4 | 50% | 0.498 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 122.8 | -176.9 | -75.9 | -92.4 | 0 | 0 | 0 | 111.8 | G381 Y382 P383 Y401 | G381-Y403 WeakPolarHBondContact O-CD1 3.31Å; Y382-Y403 WeakPolarHBondContact O-CA 3.29Å; P383-Y403 HydrophobicContact CB-CD1 4.25Å; P383-Y403 HydrophobicContact CB-CE1 3.8Å; P383-Y403 HydrophobicContact CG-CE1 4.25Å; Y401-Y403 VanDerWaalsContact O-CD2 3.24Å; Y401-Y403 WeakPolarHBondContact O-CD2 3.31Å; Y401-Y403 WeakPolarHBondContact O-CE2 3.42Å |
| 404 | V | 94.5 | Very high | 90 | Very high | 26 Ų | 26 | 53 Ų | 53 | 16% | 0.158 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 139.2 | 175.6 | -66.8 | 0 | 0 | 0 | 0 | 110.7 | Y382 T384 R406 | Y382-V404 PolarHBondContact N-O 3.28Å; Y382-V404 PolarHBondContact O-N 3.16Å; T384-V404 HydrophobicContact CG2-CB 4.43Å; T384-V404 HydrophobicContact CG2-CG1 4.04Å; T384-V404 HydrophobicContact CG2-CG2 3.51Å; V404-R406 HydrophobicContact CB-CG 4.31Å; V404-R406 HydrophobicContact CG2-CG 3.66Å; V404-R406 PolarHBondContact O-N 3.18Å |
| 405 | Q | 96.3 | Very high | 90.4 | Very high | 111 Ų | 111 | 56.1 Ų | 56.1 | 52% | 0.519 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 114.7 | 177 | -69 | -63.2 | -60.4 | 0 | 0 | 109.7 | I379 | I379-Q405 HydrophobicContact CG2-CB 3.9Å |
| 406 | R | 96.7 | Very high | 90.1 | Very high | 33 Ų | 33 | 60.6 Ų | 60.6 | 13% | 0.125 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 143.1 | -172.1 | -68 | -68.5 | 176.4 | -95.8 | 7 | 111.8 | V319 V320 L321 D325 I379 E380 V404 | V319-R406 HydrophobicContact CG1-CB 4.02Å; V320-R406 WeakPolarHBondContact O-CD 3.48Å; L321-R406 HydrophobicContact CD2-CB 4.3Å; L321-R406 HydrophobicContact CD2-CG 3.69Å; D325-R406 VanDerWaalsContact CG-NH2 3.28Å; D325-R406 IonicContact OD1-CZ 3.07Å; D325-R406 IonicContact OD1-NE 2.76Å; D325-R406 PolarHBondContact OD1-NE 3.25Å; D325-R406 IonicContact OD1-NH2 3.59Å; D325-R406 PolarHBondContact OD1-NH2 2.7Å; D325-R406 IonicContact OD2-CZ 3.81Å; D325-R406 VanDerWaalsContact OD2-CZ 3.29Å; D325-R406 IonicContact OD2-NE 3.31Å; D325-R406 PolarHBondContact OD2-NE 2.73Å; D325-R406 IonicContact OD2-NH2 2.75Å; D325-R406 PolarHBondContact OD2-NH2 2.76Å; I379-R406 WeakPolarHBondContact CA-O 3.16Å; E380-R406 PolarHBondContact N-O 2.88Å; E380-R406 PolarHBondContact O-N 2.89Å; V404-R406 HydrophobicContact CB-CG 4.31Å; V404-R406 HydrophobicContact CG2-CG 3.66Å; V404-R406 PolarHBondContact O-N 3.18Å |
| 407 | P | 97.9 | Very high | 89.3 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.013 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 142.6 | 172.9 | -21.1 | 32.8 | 0 | 0 | 0 | 111.4 | V320 Y351 F354 G378 I379 | V320-P407 HydrophobicContact CB-CB 4.22Å; V320-P407 PolarHBondContact N-O 2.69Å; Y351-P407 VanDerWaalsContact CD2-CD 3.46Å; Y351-P407 HydrophobicContact CD2-CG 3.96Å; Y351-P407 HydrophobicContact CE2-CG 4.46Å; F354-P407 HydrophobicContact CB-CB 3.58Å; F354-P407 HydrophobicContact CB-CG 3.72Å; F354-P407 HydrophobicContact CD2-CB 3.97Å; F354-P407 HydrophobicContact CG-CB 4.11Å; G378-P407 VanDerWaalsContact O-CA 3.24Å; G378-P407 WeakPolarHBondContact O-CA 3.33Å; I379-P407 HydrophobicContact CG1-CG 4.47Å |
| 408 | F | 96.6 | Very high | 88.2 | Confident | 11 Ų | 11 | 57.7 Ų | 57.7 | 5% | 0.048 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 151.4 | 171.3 | 77.3 | -83 | 0 | 0 | 0 | 110.6 | H317 I318 V319 R376 G378 E380 | H317-F408 AromaticContact NE2-CD2 3.48Å; H317-F408 WeakPolarHBondContact NE2-CD2 3.42Å; H317-F408 AromaticContact NE2-CG 3.86Å; I318-F408 CarbonylContact O-C 3.55Å; I318-F408 VanDerWaalsContact O-CA 3.23Å; I318-F408 WeakPolarHBondContact O-CA 3.48Å; V319-F408 HydrophobicContact CG2-CB 4.41Å; R376-F408 HydrophobicContact CB-CE2 3.81Å; R376-F408 HydrophobicContact CB-CZ 4.26Å; G378-F408 VanDerWaalsContact C-CD1 3.48Å; G378-F408 VanDerWaalsContact C-CE1 3.42Å; G378-F408 PolarHBondContact N-O 2.63Å; G378-F408 WeakPolarHBondContact O-CD1 3.39Å; G378-F408 PolarHBondContact O-N 3.29Å; E380-F408 HydrophobicContact CB-CD1 3.89Å; E380-F408 HydrophobicContact CB-CE1 4.13Å; E380-F408 HydrophobicContact CG-CD1 3.81Å; E380-F408 HydrophobicContact CG-CE1 3.5Å; E380-F408 HydrophobicContact CG-CZ 4.32Å; E380-F408 WeakPolarHBondContact OE1-CE1 3.48Å; E380-F408 WeakPolarHBondContact OE1-CZ 3.46Å |
| 409 | I | 97.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 117.9 | 173.9 | -37.8 | 176.2 | 0 | 0 | 0 | 107.1 | V301 H317 I318 F354 L367 L377 M411 | V301-I409 HydrophobicContact CG2-CD1 3.72Å; H317-I409 CarbonylContact C-O 3.57Å; H317-I409 WeakPolarHBondContact CA-O 3.39Å; I318-I409 HydrophobicContact CB-CB 4.39Å; I318-I409 PolarHBondContact N-O 3.49Å; I318-I409 PolarHBondContact O-N 2.75Å; F354-I409 HydrophobicContact CE2-CD1 3.73Å; F354-I409 HydrophobicContact CE2-CG1 3.98Å; F354-I409 HydrophobicContact CZ-CD1 3.72Å; F354-I409 HydrophobicContact CZ-CG1 4Å; L367-I409 HydrophobicContact CD1-CG2 4.04Å; L377-I409 HydrophobicContact CD2-CB 4.1Å; L377-I409 HydrophobicContact CD2-CG1 3.82Å; L377-I409 HydrophobicContact CD2-CG2 3.85Å; L377-I409 HydrophobicContact CG-CG2 4.29Å; I409-M411 HydrophobicContact CB-CE 3.97Å; I409-M411 HydrophobicContact CG2-CE 3.53Å; I409-M411 HydrophobicContact CG2-SD 3.62Å |
| 410 | R | 95.9 | Very high | 85.3 | Confident | 40 Ų | 40 | 65.9 Ų | 65.9 | 15% | 0.151 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 132.6 | 164.1 | 179.6 | 177.1 | 174.7 | 172.2 | 9.7 | 109.6 | E315 C316 E340 I375 R376 | E315-R410 VanDerWaalsContact CD-NH2 3.27Å; E315-R410 IonicContact OE1-CZ 2.69Å; E315-R410 IonicContact OE1-NE 3.06Å; E315-R410 IonicContact OE1-NH2 3.11Å; E315-R410 PolarHBondContact OE1-NH2 3.47Å; E315-R410 IonicContact OE2-CZ 3.63Å; E315-R410 VanDerWaalsContact OE2-CZ 3.31Å; E315-R410 IonicContact OE2-NE 2.7Å; E315-R410 PolarHBondContact OE2-NE 3.37Å; E315-R410 IonicContact OE2-NH2 2.88Å; E315-R410 PolarHBondContact OE2-NH2 3.28Å; E315-R410 VanDerWaalsContact OE2-NH2 3.07Å; C316-R410 VanDerWaalsContact O-CA 3.31Å; C316-R410 WeakPolarHBondContact O-CA 3.42Å; E340-R410 IonicContact OE1-CZ 3.55Å; E340-R410 IonicContact OE1-NH1 2.79Å; E340-R410 PolarHBondContact OE1-NH1 2.73Å; E340-R410 IonicContact OE1-NH2 3.71Å; E340-R410 PolarHBondContact OE1-NH2 2.89Å; E340-R410 IonicContact OE2-CZ 3.54Å; E340-R410 IonicContact OE2-NE 3.5Å; E340-R410 IonicContact OE2-NH1 2.81Å; E340-R410 PolarHBondContact OE2-NH1 3.32Å; E340-R410 IonicContact OE2-NH2 2.71Å; I375-R410 CarbonylContact C-O 3.58Å; I375-R410 VanDerWaalsContact CA-O 3.29Å; I375-R410 WeakPolarHBondContact CA-O 3.4Å; R376-R410 HydrophobicContact CB-CB 4.35Å; R376-R410 PolarHBondContact N-O 3.48Å; R376-R410 PolarHBondContact O-N 2.77Å |
| 411 | M | 96.5 | Very high | 83.8 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 157.7 | 177.5 | 63.8 | -127.5 | 118.8 | 0 | 0 | 111.1 | V301 M305 E315 C316 I318 L367 L372 I375 I409 | V301-M411 HydrophobicContact CG1-CE 4.23Å; V301-M411 HydrophobicContact CG1-SD 4.34Å; M305-M411 HydrophobicContact CE-CG 4.42Å; M305-M411 HydrophobicContact CG-CE 4.32Å; M305-M411 HydrophobicContact SD-CE 4.28Å; M305-M411 HydrophobicContact SD-CG 4.28Å; M305-M411 HydrophobicContact SD-SD 3.81Å; E315-M411 CarbonylContact C-O 3.59Å; E315-M411 VanDerWaalsContact CA-O 3.31Å; E315-M411 WeakPolarHBondContact CA-O 3.36Å; E315-M411 VanDerWaalsContact CB-O 3.31Å; E315-M411 WeakPolarHBondContact CB-O 3.45Å; C316-M411 HydrophobicContact CB-CE 4.17Å; C316-M411 PolarHBondContact N-O 3.14Å; C316-M411 PolarHBondContact O-N 2.8Å; I318-M411 HydrophobicContact CD1-CE 3.7Å; I318-M411 HydrophobicContact CG1-CE 4.02Å; L367-M411 HydrophobicContact CD1-SD 4.33Å; L367-M411 HydrophobicContact CD2-SD 4.17Å; L372-M411 HydrophobicContact CB-CB 4.44Å; L372-M411 HydrophobicContact CD1-CB 4.49Å; L372-M411 HydrophobicContact CD1-CG 4.24Å; L372-M411 HydrophobicContact CD1-SD 4.45Å; I375-M411 HydrophobicContact CG1-CB 4.15Å; I409-M411 HydrophobicContact CB-CE 3.97Å; I409-M411 HydrophobicContact CG2-CE 3.53Å; I409-M411 HydrophobicContact CG2-SD 3.62Å |
| 412 | S | 95.4 | Very high | 82.2 | Confident | 1 Ų | 1 | 81.3 Ų | 81.3 | 1% | 0.007 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 136.4 | -178.9 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | R314 K373 E414 | R314-S412 WeakPolarHBondContact O-CA 3.44Å; R314-S412 PolarHBondContact O-OG 3.42Å; K373-S412 PolarHBondContact N-O 2.69Å; K373-S412 PolarHBondContact O-N 2.81Å; S412-E414 WeakPolarHBondContact OG-CB 3.44Å; S412-E414 PolarHBondContact OG-N 2.93Å |
| 413 | W | 95.6 | Very high | 80.6 | Confident | 63 Ų | 63 | 84.4 Ų | 84.4 | 24% | 0.239 | 41% | 0.406 | C | S | . | . | trans | -105 | 19.5 | 166.3 | 56.7 | 87.2 | 0 | 0 | 0 | 110.9 | M305 A309 E313 R314 C316 L372 K415 | M305-W413 HydrophobicContact CB-CH2 4.44Å; M305-W413 HydrophobicContact CB-CZ3 4.07Å; M305-W413 HydrophobicContact CE-CE3 3.91Å; M305-W413 HydrophobicContact CE-CZ3 4.09Å; M305-W413 HydrophobicContact CG-CZ3 4.05Å; A309-W413 HydrophobicContact CB-CZ2 3.95Å; E313-W413 HydrophobicContact CB-CZ2 4.32Å; E313-W413 PolarHBondContact O-NE1 2.94Å; R314-W413 PolarHBondContact O-N 3.35Å; R314-W413 VanDerWaalsContact O-N 3.12Å; C316-W413 HydrophobicContact CB-CH2 3.69Å; C316-W413 HydrophobicContact CB-CZ3 3.57Å; L372-W413 HydrophobicContact CD2-CB 4.13Å; W413-K415 PolarHBondContact O-N 2.84Å | ||
| 414 | E | 90.4 | Very high | 78.6 | Confident | 81 Ų | 81 | 85.2 Ų | 85.2 | 38% | 0.379 | 42% | 0.419 | S | S | . | . | trans | -57.8 | 111.4 | 171.2 | -171 | -177.6 | -158.4 | 0 | 0 | 108.7 | R314 K374 S412 E416 | R314-E414 HydrophobicContact CB-CB 3.96Å; R314-E414 HydrophobicContact CB-CG 4.27Å; R314-E414 PolarHBondContact O-N 2.9Å; K374-E414 IonicContact NZ-OE2 2.62Å; K374-E414 PolarHBondContact NZ-OE2 3.29Å; S412-E414 WeakPolarHBondContact OG-CB 3.44Å; S412-E414 PolarHBondContact OG-N 2.93Å; E414-E416 PolarHBondContact O-N 3.16Å | ||
| 415 | K | 83.6 | Confident | 76.4 | Confident | 162 Ų | 162 | 92.4 Ų | 92.4 | 70% | 0.704 | 45% | 0.448 | S | S | * | . | trans | -68.3 | 82.4 | 162.5 | -173 | -166 | 175.3 | -157.5 | 0 | 107.3 | W413 E417 | W413-K415 PolarHBondContact O-N 2.84Å; K415-E417 VanDerWaalsContact C-N 3.25Å; K415-E417 IonicContact NZ-OE1 3.31Å; K415-E417 PolarHBondContact O-N 2.79Å | ||
| 416 | E | 69.7 | Low | 74.4 | Confident | 134 Ų | 134 | 95.5 Ų | 95.5 | 63% | 0.626 | 46% | 0.463 | S | S | * | . | trans | -49.7 | 97 | 158.9 | 176.3 | -176.2 | -147.6 | 0 | 0 | 107.1 | K373 E414 | K373-E416 IonicContact NZ-OE2 2.63Å; K373-E416 PolarHBondContact NZ-OE2 2.69Å; E414-E416 PolarHBondContact O-N 3.16Å | ||
| 417 | E | 59.8 | Low | 72.6 | Confident | 140 Ų | 140 | 99.1 Ų | 99.1 | 65% | 0.654 | 49% | 0.492 | S | S | * | . | trans | -61.4 | 143.2 | 175.7 | -65.5 | -147.8 | 124.5 | 0 | 0 | 108.6 | K415 K419 | K415-E417 VanDerWaalsContact C-N 3.25Å; K415-E417 IonicContact NZ-OE1 3.31Å; K415-E417 PolarHBondContact O-N 2.79Å; E417-K419 PolarHBondContact O-N 2.79Å | ||
| 418 | G | 55.3 | Low | 70.2 | Confident | 77 Ų | 77 | 105.6 Ų | 105.6 | 79% | 0.794 | 53% | 0.531 | S | S | * | . | trans | -64.5 | 83.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S420 | G418-S420 PolarHBondContact O-N 3.09Š| ||
| 419 | K | 54.8 | Low | 68.1 | Low | 198 Ų | 198 | 114.2 Ų | 114.2 | 86% | 0.861 | 57% | 0.568 | S | S | * | * | trans | -63.8 | 58.8 | 139.7 | -68.3 | -173.8 | -178.2 | 177.8 | 0 | 108.8 | E417 R421 | E417-K419 PolarHBondContact O-N 2.79Å; K419-R421 PolarHBondContact O-N 3.18Å | ||
| 420 | S | 51.1 | Low | 66.1 | Low | 75 Ų | 75 | 118.9 Ų | 118.9 | 52% | 0.524 | 60% | 0.601 | S | S | . | * | trans | -45.8 | 123.2 | 144.5 | 174.7 | 0 | 0 | 0 | 0 | 105.3 | G418 H422 | G418-S420 PolarHBondContact O-N 3.09Å; S420-H422 PolarHBondContact O-N 3.27Å | ||
| 421 | R | 56.9 | Low | 64.3 | Low | 229 Ų | 229 | 126.5 Ų | 126.5 | 86% | 0.864 | 64% | 0.636 | S | S | * | * | trans | -74.8 | 57.6 | 171.2 | -59 | -179.7 | -170.1 | 132.7 | 1.1 | 108.3 | K419 V423 | K419-R421 PolarHBondContact O-N 3.18Å; R421-V423 PolarHBondContact O-N 3.4Å; R421-V423 VanDerWaalsContact O-N 3.09Å | ||
| 422 | H | 58 | Low | 62.2 | Low | 160 Ų | 160 | 130.7 Ų | 130.7 | 74% | 0.741 | 67% | 0.665 | S | S | * | * | trans | -46.6 | 118.4 | 150.8 | -85.7 | 113 | 0 | 0 | 0 | 105.1 | S420 D424 | S420-H422 PolarHBondContact O-N 3.27Å; H422-D424 PolarHBondContact O-N 2.72Å | ||
| 423 | V | 57.1 | Low | 60.2 | Low | 102 Ų | 102 | 137.3 Ų | 137.3 | 62% | 0.618 | 70% | 0.699 | S | S | * | * | trans | -45.7 | 116 | -160.2 | 179.7 | 0 | 0 | 0 | 0 | 108.7 | R421 F425 | R421-V423 PolarHBondContact O-N 3.4Å; R421-V423 VanDerWaalsContact O-N 3.09Å; V423-F425 HydrophobicContact CB-CD2 4.41Å; V423-F425 HydrophobicContact CB-CE2 4.21Å; V423-F425 WeakPolarHBondContact O-CD2 3.33Å; V423-F425 PolarHBondContact O-N 2.98Å | ||
| 424 | D | 51.8 | Low | 58.1 | Low | 144 Ų | 144 | 139.2 Ų | 139.2 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | trans | -58.7 | 94.6 | 163.2 | -87.3 | -53.2 | 0 | 0 | 0 | 104.9 | H422 Q426 | H422-D424 PolarHBondContact O-N 2.72Å; D424-Q426 PolarHBondContact O-N 2.71Å | ||
| 425 | F | 48.1 | Very low | 56.1 | Low | 178 Ų | 178 | 141 Ų | 141 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | trans | -66.7 | 78.3 | 163.3 | -75.3 | -78.4 | 0 | 0 | 0 | 105.1 | V423 C427 | V423-F425 HydrophobicContact CB-CD2 4.41Å; V423-F425 HydrophobicContact CB-CE2 4.21Å; V423-F425 WeakPolarHBondContact O-CD2 3.33Å; V423-F425 PolarHBondContact O-N 2.98Å; F425-C427 PolarHBondContact O-N 3.46Å; F425-C427 PolarHBondContact O-SG 2.72Å | ||
| 426 | Q | 54.2 | Low | 54.6 | Low | 176 Ų | 176 | 139.6 Ų | 139.6 | 82% | 0.822 | 73% | 0.729 | S | S | * | * | trans | -62.6 | 84.6 | 169.5 | -178.6 | 175.6 | 65.1 | 0 | 0 | 105.3 | D424 V428 | D424-Q426 PolarHBondContact O-N 2.71Å; Q426-V428 PolarHBondContact O-N 2.79Å | ||
| 427 | C | 58 | Low | 53.8 | Low | 109 Ų | 109 | 137.3 Ų | 137.3 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | trans | -52.5 | 104.1 | -179.4 | -72.4 | 0 | 0 | 0 | 0 | 106.9 | F425 K429 | F425-C427 PolarHBondContact O-N 3.46Å; F425-C427 PolarHBondContact O-SG 2.72Å; C427-K429 PolarHBondContact O-N 2.7Å | ||
| 428 | V | 48.3 | Very low | 53.5 | Low | 137 Ų | 137 | 134 Ų | 134 | 83% | 0.83 | 73% | 0.729 | S | S | * | * | trans | -55.5 | 111.7 | 179.9 | -177.3 | 0 | 0 | 0 | 0 | 105 | Q426 S430 | Q426-V428 PolarHBondContact O-N 2.79Å; V428-S430 VanDerWaalsContact C-N 3.28Å; V428-S430 PolarHBondContact O-N 2.9Å | ||
| 429 | K | 51.5 | Low | 53.3 | Low | 192 Ų | 192 | 134.3 Ų | 134.3 | 84% | 0.835 | 73% | 0.725 | S | S | * | * | trans | -60.7 | 93.3 | -171.1 | -89.7 | -177.4 | 172.2 | 176.3 | 0 | 109.4 | C427 K431 | C427-K429 PolarHBondContact O-N 2.7Å; K429-K431 PolarHBondContact O-N 3.22Å | ||
| 430 | S | 56 | Low | 53.2 | Low | 99 Ų | 99 | 128.9 Ų | 128.9 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | trans | -57.9 | 120.7 | 171.3 | 38.4 | 0 | 0 | 0 | 0 | 106.9 | V428 S432 | V428-S430 VanDerWaalsContact C-N 3.28Å; V428-S430 PolarHBondContact O-N 2.9Å; S430-S432 PolarHBondContact O-N 2.84Å | ||
| 431 | K | 58.8 | Low | 53.1 | Low | 200 Ų | 200 | 129.3 Ų | 129.3 | 87% | 0.87 | 73% | 0.725 | S | S | * | * | trans | -78.3 | 55.4 | -177.5 | -67.1 | -174.9 | 178.5 | 179.8 | 0 | 111.2 | K429 I433 | K429-K431 PolarHBondContact O-N 3.22Å; K431-I433 VanDerWaalsContact C-N 3.3Å; K431-I433 PolarHBondContact O-N 3.04Å | ||
| 432 | S | 52.3 | Low | 52.9 | Low | 88 Ų | 88 | 125.5 Ų | 125.5 | 62% | 0.615 | 72% | 0.721 | S | S | * | * | trans | -75.8 | 84.2 | 166.5 | 54.4 | 0 | 0 | 0 | 0 | 109.1 | S430 T434 | S430-S432 PolarHBondContact O-N 2.84Å; S432-T434 VanDerWaalsContact C-N 3.3Å; S432-T434 PolarHBondContact O-N 3.06Å | ||
| 433 | I | 53.4 | Low | 52.2 | Low | 139 Ų | 139 | 124.5 Ų | 124.5 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | trans | -74.1 | 91 | 166.7 | -63.4 | 176.8 | 0 | 0 | 0 | 107.3 | K431 | K431-I433 VanDerWaalsContact C-N 3.3Å; K431-I433 PolarHBondContact O-N 3.04Å | ||
| 434 | T | 50.7 | Low | 51.3 | Low | 104 Ų | 104 | 125.5 Ų | 125.5 | 64% | 0.638 | 73% | 0.729 | S | S | * | * | trans | -100.6 | 82.9 | 171.9 | -48.9 | 0 | 0 | 0 | 0 | 108.4 | S432 L436 | S432-T434 VanDerWaalsContact C-N 3.3Å; S432-T434 PolarHBondContact O-N 3.06Å; T434-L436 VanDerWaalsContact C-N 3.26Å; T434-L436 HydrophobicContact CG2-CD1 3.68Å; T434-L436 PolarHBondContact O-N 2.87Å | ||
| 435 | N | 47.9 | Very low | 50.6 | Low | 117 Ų | 117 | 127.9 Ų | 127.9 | 63% | 0.626 | 74% | 0.735 | S | S | * | * | trans | -72.4 | 78.7 | 177.4 | -89.4 | -22.9 | 0 | 0 | 0 | 110.9 | A437 A438 | N435-A437 PolarHBondContact O-N 3.24Å; N435-A437 VanDerWaalsContact O-N 3.16Å; N435-A438 HydrophobicContact CB-CB 4.22Å; N435-A438 WeakPolarHBondContact O-CB 3.46Å; N435-A438 PolarHBondContact O-N 2.95Å | ||
| 436 | L | 53.7 | Low | 50.1 | Low | 134 Ų | 134 | 126.4 Ų | 126.4 | 70% | 0.702 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -53.1 | -33.9 | 174.8 | -115.9 | 65.1 | 0 | 0 | 0 | 112.4 | T434 A438 A439 | T434-L436 VanDerWaalsContact C-N 3.26Å; T434-L436 HydrophobicContact CG2-CD1 3.68Å; T434-L436 PolarHBondContact O-N 2.87Å; L436-A438 PolarHBondContact O-N 3.16Å; L436-A439 PolarHBondContact O-N 3.18Å |
| 437 | A | 52.8 | Low | 49.4 | Very low | 86 Ų | 86 | 127.1 Ų | 127.1 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -62.5 | -22.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | N435 | N435-A437 PolarHBondContact O-N 3.24Å; N435-A437 VanDerWaalsContact O-N 3.16Å |
| 438 | A | 53.7 | Low | 48.4 | Very low | 69 Ų | 69 | 129.3 Ų | 129.3 | 57% | 0.57 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -83.8 | -27 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N435 L436 A440 | N435-A438 HydrophobicContact CB-CB 4.22Å; N435-A438 WeakPolarHBondContact O-CB 3.46Å; N435-A438 PolarHBondContact O-N 2.95Å; L436-A438 PolarHBondContact O-N 3.16Å; A438-A440 VanDerWaalsContact C-N 3.34Å |
| 439 | A | 51.3 | Low | 47.9 | Very low | 85 Ų | 85 | 129.9 Ų | 129.9 | 70% | 0.702 | 75% | 0.746 | S | S | * | * | H | α-helix | trans | -79.5 | -15.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L436 | L436-A439 PolarHBondContact O-N 3.18Å |
| 440 | A | 51 | Low | 47.2 | Very low | 83 Ų | 83 | 126.3 Ų | 126.3 | 69% | 0.686 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 0.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | A438 | A438-A440 VanDerWaalsContact C-N 3.34Š|
| 441 | A | 50.3 | Low | 46.2 | Very low | 84 Ų | 84 | 130 Ų | 130 | 69% | 0.694 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -99.5 | -0.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 442 | D | 51.8 | Low | 44.9 | Very low | 149 Ų | 149 | 128.3 Ų | 128.3 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | -131.1 | 53.7 | -167.9 | -149.1 | 4.1 | 0 | 0 | 0 | 112.2 | ||||
| 443 | I | 43.8 | Very low | 44.4 | Very low | 140 Ų | 140 | 130 Ų | 130 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | trans | -123.1 | 113.2 | 166.4 | -59 | 178.6 | 0 | 0 | 0 | 107.2 | ||||
| 444 | P | 37.5 | Very low | 43.7 | Very low | 123 Ų | 123 | 126.7 Ų | 126.7 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | trans | -71.5 | 133 | -177.4 | 28 | -33.8 | 0 | 0 | 0 | 111.5 | ||||
| 445 | Q | 38.5 | Very low | 43.2 | Very low | 194 Ų | 194 | 128.1 Ų | 128.1 | 91% | 0.907 | 76% | 0.763 | S | S | * | * | trans | -102.6 | 84 | -167.6 | -164.6 | 114.4 | 29.4 | 0 | 0 | 111.9 | ||||
| 446 | D | 37.1 | Very low | 42.4 | Very low | 146 Ų | 146 | 130.9 Ų | 130.9 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | trans | -148.1 | 82.5 | 171.8 | -161.6 | 5.5 | 0 | 0 | 0 | 114.3 | ||||
| 447 | Q | 38.3 | Very low | 41.6 | Very low | 192 Ų | 192 | 130.6 Ų | 130.6 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | trans | -167.1 | 131.3 | 144.6 | -112 | 166.9 | 45.7 | 0 | 0 | 111.4 | ||||
| 448 | L | 37 | Very low | 40.9 | Very low | 155 Ų | 155 | 133.4 Ų | 133.4 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -80 | 135.2 | 168.5 | -75.6 | 69.1 | 0 | 0 | 0 | 110 | ||||
| 449 | V | 38.5 | Very low | 40.1 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 90% | 0.903 | 79% | 0.786 | S | S | * | * | trans | -143.8 | 137.6 | 134.2 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 450 | V | 38 | Very low | 39.6 | Very low | 116 Ų | 116 | 140 Ų | 140 | 70% | 0.703 | 79% | 0.787 | S | S | * | * | trans | -73.5 | 146.9 | -177.9 | -171.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 451 | M | 34.5 | Very low | 38.8 | Very low | 176 Ų | 176 | 141.9 Ų | 141.9 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | 169.4 | 148.6 | 121.4 | -89.6 | -168.9 | 73.6 | 0 | 0 | 116.4 | |||||
| 452 | H | 30.8 | Very low | 38 | Very low | 165 Ų | 165 | 144.2 Ų | 144.2 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | -97.4 | -174.1 | 164.4 | -58.3 | -96.6 | 0 | 0 | 0 | 109.8 | ||||
| 453 | P | 41.9 | Very low | 37.1 | Very low | 124 Ų | 124 | 144.6 Ų | 144.6 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | cis | -119 | -171.5 | -43.2 | 29.8 | -11 | 0 | 0 | 0 | 110.8 | ||||
| 454 | G | 38 | Very low | 37.2 | Very low | 70 Ų | 70 | 142.7 Ų | 142.7 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | -92.1 | 161.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 455 | P | 40 | Very low | 36.9 | Very low | 133 Ų | 133 | 143.9 Ų | 143.9 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | -106.1 | 177 | 169.9 | 39 | -31.9 | 0 | 0 | 0 | 113.8 | ||||
| 456 | Q | 32.2 | Very low | 36.8 | Very low | 176 Ų | 176 | 143.2 Ų | 143.2 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | -121.6 | 167.9 | 179.2 | -52.6 | 171.1 | -87 | 0 | 0 | 111 | ||||
| 457 | V | 36.4 | Very low | 37 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | 59.5 | 151.4 | 161.9 | -53.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 458 | D | 37.8 | Very low | 37.3 | Very low | 145 Ų | 145 | 138.2 Ų | 138.2 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | cis | -157.2 | -159.8 | -27.7 | -113.2 | -73.9 | 0 | 0 | 0 | 106.4 | ||||
| 459 | E | 37.1 | Very low | 37.1 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | cis | -160.2 | 171.3 | 10.9 | -150 | -169.4 | 131.8 | 0 | 0 | 109.7 | ||||
| 460 | L | 40.7 | Very low | 36.6 | Very low | 140 Ų | 140 | 133.1 Ų | 133.1 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | 66.8 | 153.3 | 164.1 | -63.5 | 155.3 | 0 | 0 | 0 | 117.1 | ||||
| 461 | D | 34.6 | Very low | 36.3 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 66% | 0.663 | 77% | 0.769 | S | S | * | * | cis | -150.7 | 154.8 | 13.9 | -148 | 0.1 | 0 | 0 | 0 | 115 | ||||
| 462 | I | 33.2 | Very low | 36 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | trans | 36.3 | 98.1 | 161.2 | -65.2 | 150.8 | 0 | 0 | 0 | 122.4 | ||||
| 463 | L | 32.8 | Very low | 36 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | 31.1 | 163.3 | 105.5 | -67.6 | -178.7 | 0 | 0 | 0 | 123.2 | |||||
| 464 | P | 46.3 | Very low | 35.4 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 66% | 0.656 | 75% | 0.754 | S | S | * | * | cis | -143.4 | -166.3 | -22.9 | 38.7 | -17.7 | 0 | 0 | 0 | 116.7 | ||||
| 465 | N | 30.4 | Very low | 35 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | trans | 101.2 | 78.2 | 150.2 | -74.8 | 7.5 | 0 | 0 | 0 | 122.6 | ||||
| 466 | H | 37.7 | Very low | 34.5 | Very low | 181 Ų | 181 | 136.4 Ų | 136.4 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | -109.6 | 170.3 | 115.1 | -101.8 | -72.1 | 0 | 0 | 0 | 106.7 | |||||
| 467 | P | 41.4 | Very low | 34.4 | Very low | 115 Ų | 115 | 139 Ų | 139 | 75% | 0.747 | 75% | 0.751 | S | S | * | * | cis | -148.3 | -124.4 | 45.6 | 41.6 | -14.1 | 0 | 0 | 0 | 114.3 | ||||
| 468 | P | 44.9 | Very low | 34.1 | Very low | 118 Ų | 118 | 137 Ų | 137 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | trans | -133.8 | -149.8 | -140.9 | 41.9 | -15.6 | 0 | 0 | 0 | 115.9 | ||||
| 469 | S | 31.8 | Very low | 33.9 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | trans | -55 | 150 | -170.9 | -37.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 470 | G | 28.8 | Very low | 34 | Very low | 74 Ų | 74 | 139.7 Ų | 139.7 | 76% | 0.763 | 76% | 0.756 | S | S | * | * | trans | -165.6 | 150.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 471 | N | 30.3 | Very low | 34.1 | Very low | 138 Ų | 138 | 139 Ų | 139 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | -107.4 | 163 | -167.3 | -78 | 10.2 | 0 | 0 | 0 | 116.1 | ||||
| 472 | H | 29.6 | Very low | 34.4 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 66% | 0.662 | 77% | 0.769 | S | S | * | * | trans | 91.1 | 142.9 | 144.7 | -68.5 | -58.4 | 0 | 0 | 0 | 122 | ||||
| 473 | Y | 30.8 | Very low | 35.3 | Very low | 211 Ų | 211 | 139.9 Ų | 139.9 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | 71.9 | 133.9 | 166.2 | -55.8 | -59.2 | 0 | 0 | 0 | 117 | ||||
| 474 | S | 28.8 | Very low | 35.5 | Very low | 90 Ų | 90 | 140.3 Ų | 140.3 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | cis | -159.5 | 157.7 | 0.9 | -103.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 475 | N | 29.1 | Very low | 35.2 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 64.7 | 121.8 | 152.1 | -68.4 | 3.2 | 0 | 0 | 0 | 123.2 | ||||
| 476 | N | 29.2 | Very low | 36.2 | Very low | 136 Ų | 136 | 138.5 Ų | 138.5 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | 53.1 | 119.3 | 133.9 | -57.7 | 4.2 | 0 | 0 | 0 | 120.7 | ||||
| 477 | Y | 31.3 | Very low | 36.5 | Very low | 230 Ų | 230 | 135.3 Ų | 135.3 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | -155.1 | 146.5 | 97 | -107.7 | -74.8 | 0 | 0 | 0 | 112.9 | |||||
| 478 | S | 30.3 | Very low | 36.8 | Very low | 86 Ų | 86 | 135.9 Ų | 135.9 | 60% | 0.601 | 78% | 0.781 | S | S | * | * | trans | -46 | 147 | -176.8 | -40.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 479 | N | 32.2 | Very low | 36.6 | Very low | 159 Ų | 159 | 134.5 Ų | 134.5 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | 172.4 | 115.6 | 107.6 | -83.7 | -17.8 | 0 | 0 | 0 | 112.8 | |||||
| 480 | E | 39.8 | Very low | 37 | Very low | 194 Ų | 194 | 139.1 Ų | 139.1 | 91% | 0.907 | 80% | 0.801 | S | S | * | * | trans | -110.5 | 157.5 | 149 | -79.5 | -167.8 | 112.9 | 0 | 0 | 108.6 | ||||
| 481 | P | 42.9 | Very low | 37.4 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | trans | -124.3 | 142.7 | 147.8 | 34.9 | -24.5 | 0 | 0 | 0 | 113.4 | ||||
| 482 | D | 39.9 | Very low | 37.8 | Very low | 161 Ų | 161 | 142.6 Ų | 142.6 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -40.2 | 157.8 | 179.7 | -97.2 | -34.4 | 0 | 0 | 0 | 118.4 | ||||
| 483 | P | 52.1 | Low | 38.2 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 75% | 0.747 | 82% | 0.815 | S | S | * | * | trans | -94.5 | 130.8 | 169.7 | 36 | -29.1 | 0 | 0 | 0 | 113.2 | ||||
| 484 | D | 38.5 | Very low | 38.7 | Very low | 166 Ų | 166 | 138.5 Ų | 138.5 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | trans | -161.5 | 167.8 | 155.9 | -140.6 | -23.8 | 0 | 0 | 0 | 113.3 | ||||
| 485 | A | 39.8 | Very low | 39.3 | Very low | 87 Ų | 87 | 141.6 Ų | 141.6 | 72% | 0.719 | 83% | 0.826 | S | S | * | * | trans | 74.8 | 157.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 486 | P | 51 | Low | 39.9 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 80% | 0.799 | 83% | 0.832 | S | S | * | * | trans | -127 | 179.7 | -140.1 | 41 | -26.2 | 0 | 0 | 0 | 117.4 | ||||
| 487 | S | 43.9 | Very low | 40.7 | Very low | 113 Ų | 113 | 142.4 Ų | 142.4 | 79% | 0.79 | 84% | 0.84 | S | S | * | * | trans | -54.3 | 154.7 | 174 | -35.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 488 | P | 47.6 | Very low | 41.4 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 83% | 0.831 | 84% | 0.835 | S | S | * | * | -148.2 | -180 | 88 | 40.8 | -24.2 | 0 | 0 | 0 | 116.7 | |||||
| 489 | A | 40.3 | Very low | 42.4 | Very low | 89 Ų | 89 | 139.8 Ų | 139.8 | 74% | 0.736 | 85% | 0.854 | S | S | * | * | trans | -48.1 | 152.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 490 | V | 40.4 | Very low | 43.3 | Very low | 218 Ų | 218 | 138 Ų | 138 | 100% | 1.321 | 86% | 0.855 | S | S | * | * | -126.1 | 0 | 109.1 | 175.7 | 0 | 0 | 0 | 0 | 108 |
Retrieved 490 of 490 residues in 799.2 ms
(Link to these results)