| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.8 | Very low | 39 | Very low | 244 Ų | 244 | 148.4 Ų | 148.4 | 100% | 1.202 | 85% | 0.847 | S | S | * | * | 0 | 130.7 | 0 | -75 | -162.5 | 154.6 | 0 | 0 | 108.5 | |||||
| 2 | A | 38 | Very low | 38.6 | Very low | 89 Ų | 89 | 143.1 Ų | 143.1 | 74% | 0.736 | 84% | 0.835 | S | S | * | * | trans | 58.1 | 96.9 | 171 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 3 | T | 44.1 | Very low | 38.6 | Very low | 142 Ų | 142 | 146.2 Ų | 146.2 | 87% | 0.871 | 84% | 0.836 | S | S | * | * | 65.6 | 106.4 | 77.8 | 64.1 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 4 | A | 42.8 | Very low | 38.1 | Very low | 108 Ų | 108 | 144 Ų | 144 | 89% | 0.893 | 83% | 0.833 | S | S | * | * | trans | -163.8 | 102.9 | 135.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 5 | A | 44.5 | Very low | 38.1 | Very low | 100 Ų | 100 | 146.2 Ų | 146.2 | 83% | 0.826 | 84% | 0.839 | S | S | * | * | trans | -98.1 | 135.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 6 | Y | 37 | Very low | 38.3 | Very low | 232 Ų | 232 | 146.2 Ų | 146.2 | 91% | 0.91 | 84% | 0.842 | S | S | * | * | trans | -144.5 | 96.3 | 165.3 | -164 | -96.4 | 0 | 0 | 0 | 109.1 | ||||
| 7 | V | 41.1 | Very low | 38 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 75% | 0.752 | 84% | 0.84 | S | S | * | * | trans | -144.2 | 134 | 163.7 | -128.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 8 | D | 40.6 | Very low | 37.8 | Very low | 142 Ų | 142 | 145.7 Ų | 145.7 | 76% | 0.759 | 84% | 0.839 | S | S | * | * | trans | 58.9 | 120.8 | 153.1 | -61.4 | -35.9 | 0 | 0 | 0 | 122.6 | ||||
| 9 | H | 35.8 | Very low | 37.5 | Very low | 175 Ų | 175 | 143.7 Ų | 143.7 | 81% | 0.81 | 84% | 0.835 | S | S | * | * | 172.7 | 116.8 | 126.1 | -122.2 | -96.9 | 0 | 0 | 0 | 108.6 | |||||
| 10 | F | 30.9 | Very low | 37.5 | Very low | 187 Ų | 187 | 142.7 Ų | 142.7 | 82% | 0.82 | 84% | 0.836 | S | S | * | * | 53.7 | 120.8 | 67.8 | -133.3 | -85.8 | 0 | 0 | 0 | 115.9 | |||||
| 11 | A | 33 | Very low | 37.5 | Very low | 89 Ų | 89 | 146.7 Ų | 146.7 | 74% | 0.736 | 84% | 0.837 | S | S | * | * | trans | 73.1 | 151.7 | 168 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 12 | A | 34.9 | Very low | 37 | Very low | 85 Ų | 85 | 140.1 Ų | 140.1 | 70% | 0.702 | 82% | 0.821 | S | S | * | * | cis | -176.2 | 160.9 | -19.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 13 | E | 37.9 | Very low | 37.1 | Very low | 183 Ų | 183 | 142.7 Ų | 142.7 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | trans | 78.1 | 122.2 | 153.1 | -64.1 | -166.1 | 156 | 0 | 0 | 123.7 | ||||
| 14 | C | 32.3 | Very low | 36.6 | Very low | 116 Ų | 116 | 143 Ų | 143 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | 26.3 | 114.8 | 124.1 | -71.8 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 15 | L | 38.2 | Very low | 36.1 | Very low | 177 Ų | 177 | 145.8 Ų | 145.8 | 93% | 0.927 | 81% | 0.81 | S | S | * | * | trans | -150.5 | 110 | 131 | -77.3 | -175.1 | 0 | 0 | 0 | 109.8 | S17 | L15-S17 PolarHBondContact O-N 3.25Š| ||
| 16 | V | 40.5 | Very low | 35.7 | Very low | 146 Ų | 146 | 146.3 Ų | 146.3 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 122 | 165.6 | 173.7 | 0 | 0 | 0 | 0 | 107.6 | M18 | V16-M18 PolarHBondContact O-N 3.1Š|
| 17 | S | 33.8 | Very low | 36.2 | Very low | 117 Ų | 117 | 141 Ų | 141 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 125.3 | 175.2 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | L15 | L15-S17 PolarHBondContact O-N 3.25Š|
| 18 | M | 34 | Very low | 36 | Very low | 167 Ų | 167 | 145.2 Ų | 145.2 | 82% | 0.823 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 159.3 | 166.2 | -69.6 | -151.4 | 75.6 | 0 | 0 | 111.5 | V16 | V16-M18 PolarHBondContact O-N 3.1Š|
| 19 | S | 32.6 | Very low | 35.4 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | 109.8 | 109.2 | 156.9 | -144.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 20 | S | 36.2 | Very low | 35.1 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | -149.2 | 134.1 | 74.9 | -63.6 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 21 | R | 37.6 | Very low | 35.2 | Very low | 228 Ų | 228 | 138.2 Ų | 138.2 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -87.8 | 145.9 | 167.9 | -83 | 175.9 | 167.5 | 149.5 | -4.1 | 110.2 | ||||
| 22 | A | 31.9 | Very low | 35 | Very low | 106 Ų | 106 | 141.1 Ų | 141.1 | 88% | 0.876 | 81% | 0.807 | S | S | * | * | trans | -129.7 | 127.9 | 148.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 23 | I | 39.7 | Very low | 34.9 | Very low | 142 Ų | 142 | 142.2 Ų | 142.2 | 73% | 0.728 | 81% | 0.809 | S | S | * | * | trans | -98.6 | 145.1 | 175.8 | -65.7 | 171.3 | 0 | 0 | 0 | 106.9 | ||||
| 24 | I | 33.5 | Very low | 34.6 | Very low | 148 Ų | 148 | 142.1 Ų | 142.1 | 76% | 0.759 | 81% | 0.809 | S | S | * | * | trans | -170.5 | 113.4 | 132.3 | -77 | -135 | 0 | 0 | 0 | 109.8 | ||||
| 25 | H | 32.3 | Very low | 34.7 | Very low | 168 Ų | 168 | 144.8 Ų | 144.8 | 78% | 0.778 | 81% | 0.814 | S | S | * | * | trans | 69.5 | 122.5 | 145.7 | -68.1 | -111.2 | 0 | 0 | 0 | 123.9 | ||||
| 26 | S | 35.9 | Very low | 34.3 | Very low | 110 Ų | 110 | 143.8 Ų | 143.8 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -87 | 164 | 154.9 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 27 | P | 47.8 | Very low | 33.8 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | -142.5 | 135.9 | 96.2 | 33.9 | -16.9 | 0 | 0 | 0 | 113.3 | |||||
| 28 | K | 35.9 | Very low | 33.6 | Very low | 212 Ų | 212 | 139.7 Ų | 139.7 | 92% | 0.922 | 81% | 0.805 | S | S | * | * | 84.7 | 124.8 | 84.9 | -152.5 | 179.4 | -171.8 | -177.9 | 0 | 114.9 | |||||
| 29 | G | 29.2 | Very low | 33.8 | Very low | 60 Ų | 60 | 139.2 Ų | 139.2 | 62% | 0.619 | 80% | 0.804 | S | S | * | * | trans | 149.3 | 93.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 30 | E | 29.1 | Very low | 34.1 | Very low | 192 Ų | 192 | 139.4 Ų | 139.4 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | 58.1 | 126.6 | 97.1 | -65 | -179.5 | 146.8 | 0 | 0 | 111.6 | |||||
| 31 | S | 32.3 | Very low | 33.8 | Very low | 105 Ų | 105 | 139.3 Ų | 139.3 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | cis | -165.9 | 159.6 | 13.4 | 42.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 32 | D | 29.7 | Very low | 33.6 | Very low | 150 Ų | 150 | 133.8 Ų | 133.8 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | 17.9 | 127 | 150.8 | -58.2 | -50.5 | 0 | 0 | 0 | 121.6 | ||||
| 33 | S | 33.6 | Very low | 33.7 | Very low | 107 Ų | 107 | 134.4 Ų | 134.4 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | 146.9 | 108.9 | 106.4 | 56.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 34 | Q | 30.1 | Very low | 33.2 | Very low | 182 Ų | 182 | 135.3 Ų | 135.3 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | 38.5 | 97.4 | 127.4 | -153.1 | 161.7 | -22 | 0 | 0 | 117.9 | |||||
| 35 | L | 34.5 | Very low | 33.1 | Very low | 172 Ų | 172 | 132 Ų | 132 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | trans | -91.1 | 113.6 | 161.8 | -72.6 | 168.9 | 0 | 0 | 0 | 109.4 | ||||
| 36 | D | 29.6 | Very low | 33.2 | Very low | 156 Ų | 156 | 132.4 Ų | 132.4 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -145.5 | 127.2 | 154.8 | -99.7 | -44.5 | 0 | 0 | 0 | 110.1 | ||||
| 37 | G | 31.1 | Very low | 33 | Very low | 76 Ų | 76 | 134 Ų | 134 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | trans | 88 | 107.1 | 153.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 38 | A | 29.4 | Very low | 32.5 | Very low | 100 Ų | 100 | 137.9 Ų | 137.9 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | 162.4 | 134.8 | 105.1 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 39 | I | 38.3 | Very low | 32.5 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | trans | -69.6 | 146.3 | 162.1 | -61.2 | 164.1 | 0 | 0 | 0 | 108.3 | ||||
| 40 | P | 39.1 | Very low | 32.5 | Very low | 113 Ų | 113 | 145.3 Ų | 145.3 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | -140.1 | 132.2 | 117.6 | 21.3 | 0.1 | 0 | 0 | 0 | 115.1 | |||||
| 41 | T | 30.3 | Very low | 32.8 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 74% | 0.736 | 82% | 0.815 | S | S | * | * | trans | 17.9 | 126.7 | 130.8 | 58.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 42 | S | 32.3 | Very low | 32.7 | Very low | 112 Ų | 112 | 148.7 Ų | 148.7 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | trans | 33.1 | 122.8 | 130.8 | -168.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 43 | S | 33.2 | Very low | 32.9 | Very low | 119 Ų | 119 | 149.4 Ų | 149.4 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -149.9 | 140.6 | 134.8 | 53.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 44 | N | 30.6 | Very low | 33.3 | Very low | 161 Ų | 161 | 150 Ų | 150 | 86% | 0.861 | 82% | 0.822 | S | S | * | * | trans | -68.5 | 151 | 172.8 | -68.4 | -42.6 | 0 | 0 | 0 | 110.8 | ||||
| 45 | G | 31.7 | Very low | 33.3 | Very low | 77 Ų | 77 | 145.2 Ų | 145.2 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | -164 | 111.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 46 | E | 33.3 | Very low | 33.3 | Very low | 177 Ų | 177 | 145.8 Ų | 145.8 | 83% | 0.827 | 82% | 0.816 | S | S | * | * | trans | -76.8 | 162.1 | -175.7 | -63.1 | 168 | 120.9 | 0 | 0 | 112.8 | ||||
| 47 | D | 32.3 | Very low | 33.5 | Very low | 145 Ų | 145 | 145.3 Ų | 145.3 | 78% | 0.775 | 81% | 0.813 | S | S | * | * | trans | 66.5 | 110.6 | 148.1 | -78 | -26 | 0 | 0 | 0 | 120.8 | ||||
| 48 | K | 36.1 | Very low | 33.6 | Very low | 203 Ų | 203 | 148 Ų | 148 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | 179.3 | 135.8 | 98.4 | -96.7 | 164.5 | -172 | 178 | 0 | 112.5 | |||||
| 49 | R | 35.8 | Very low | 33.5 | Very low | 245 Ų | 245 | 146.7 Ų | 146.7 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | trans | -65.6 | 138.4 | 163.9 | -61.9 | 174 | -166.2 | 165.7 | 4.7 | 109.3 | ||||
| 50 | E | 30.9 | Very low | 33.3 | Very low | 183 Ų | 183 | 145.2 Ų | 145.2 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | trans | -145.2 | 125.2 | 142.8 | -161.6 | 166.8 | 133.3 | 0 | 0 | 109.7 | ||||
| 51 | V | 33.6 | Very low | 33 | Very low | 137 Ų | 137 | 145.5 Ų | 145.5 | 83% | 0.83 | 81% | 0.814 | S | S | * | * | trans | -99.8 | 124.2 | 172.5 | 167.2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 52 | R | 30.6 | Very low | 33.2 | Very low | 230 Ų | 230 | 147.6 Ų | 147.6 | 87% | 0.868 | 82% | 0.82 | S | S | * | * | trans | -161.2 | 113 | 152.8 | -150.8 | 169.8 | 175.3 | 105 | -0.1 | 112.3 | ||||
| 53 | E | 33.6 | Very low | 33 | Very low | 166 Ų | 166 | 151.6 Ų | 151.6 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | trans | -88.7 | -176.4 | 156.6 | -69.9 | -77.2 | 149.3 | 0 | 0 | 108.7 | ||||
| 54 | P | 42.3 | Very low | 33.1 | Very low | 120 Ų | 120 | 152.1 Ų | 152.1 | 78% | 0.779 | 82% | 0.822 | S | S | * | * | -126.3 | 172.6 | -51.1 | 32.9 | -16 | 0 | 0 | 0 | 111.3 | |||||
| 55 | G | 30.9 | Very low | 33.1 | Very low | 80 Ų | 80 | 150.2 Ų | 150.2 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -144.6 | 138.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 56 | K | 34.8 | Very low | 33.1 | Very low | 185 Ų | 185 | 151.3 Ų | 151.3 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -129.2 | 133.5 | -161.2 | 170.7 | 167.4 | -178.4 | 170.2 | 0 | 110.7 | ||||
| 57 | D | 34 | Very low | 33.2 | Very low | 146 Ų | 146 | 147.7 Ų | 147.7 | 78% | 0.781 | 81% | 0.811 | S | S | * | * | trans | -161.1 | 108.3 | 159.4 | 48.6 | -11.9 | 0 | 0 | 0 | 108.6 | ||||
| 58 | N | 32.3 | Very low | 33.4 | Very low | 132 Ų | 132 | 149 Ų | 149 | 71% | 0.706 | 82% | 0.817 | S | S | * | * | 74.8 | 124 | 71.2 | -54.4 | -0.3 | 0 | 0 | 0 | 113 | |||||
| 59 | G | 28.6 | Very low | 33.3 | Very low | 72 Ų | 72 | 147 Ų | 147 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | trans | -53.6 | 173 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 60 | S | 33 | Very low | 33.4 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 88% | 0.881 | 80% | 0.803 | S | S | * | * | -178 | 144.9 | 65.8 | -54.1 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 61 | S | 32.9 | Very low | 33.8 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | 178 | 107 | 127.7 | -162.9 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 62 | L | 34 | Very low | 34.1 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -86.7 | 165.8 | 163.6 | -82.3 | 164.5 | 0 | 0 | 0 | 109.4 | ||||
| 63 | F | 28.7 | Very low | 34.7 | Very low | 197 Ų | 197 | 134.5 Ų | 134.5 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | 80.2 | 114.9 | -177.5 | -89.5 | -110.7 | 0 | 0 | 0 | 113 | ||||
| 64 | V | 35.1 | Very low | 35.3 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | S | Bend | -160.3 | 124.2 | 58.5 | 176.2 | 0 | 0 | 0 | 0 | 105 | |||
| 65 | V | 31 | Very low | 35 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | -166.6 | 125 | 67.5 | 173.5 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 66 | A | 31.4 | Very low | 35.6 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | -98.2 | 112.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 67 | S | 35.1 | Very low | 35.5 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -176.6 | 94.7 | 164.2 | -77.2 | 0 | 0 | 0 | 0 | 105 | ||||
| 68 | I | 37.7 | Very low | 35.4 | Very low | 174 Ų | 174 | 135 Ų | 135 | 89% | 0.892 | 79% | 0.785 | S | S | * | * | -154.6 | 134.5 | 89.6 | -75.8 | 146.8 | 0 | 0 | 0 | 109 | |||||
| 69 | L | 33.5 | Very low | 35.4 | Very low | 159 Ų | 159 | 133.9 Ų | 133.9 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -52.3 | 137.7 | 176.3 | -63.6 | 160.4 | 0 | 0 | 0 | 112.2 | ||||
| 70 | A | 36.9 | Very low | 35.7 | Very low | 82 Ų | 82 | 136.2 Ų | 136.2 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | 61.9 | 124.1 | 75.7 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 71 | D | 40.5 | Very low | 35.7 | Very low | 147 Ų | 147 | 134.5 Ų | 134.5 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | trans | 80.9 | 106.8 | 163.9 | -66.4 | -38.7 | 0 | 0 | 0 | 121 | ||||
| 72 | L | 39.8 | Very low | 35.7 | Very low | 165 Ų | 165 | 136 Ų | 136 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | -163.5 | 109.2 | 95.1 | -95.4 | 162.2 | 0 | 0 | 0 | 111.3 | |||||
| 73 | N | 43.5 | Very low | 35.7 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | -70.1 | 119.3 | 161.5 | 176.9 | 29.4 | 0 | 0 | 0 | 109.5 | ||||
| 74 | Q | 46.2 | Very low | 36.2 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | trans | -179.3 | 96 | 150.6 | -101 | 161.4 | 50.3 | 0 | 0 | 111.7 | ||||
| 75 | H | 35.3 | Very low | 36.3 | Very low | 172 Ų | 172 | 137.6 Ų | 137.6 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | trans | 157.8 | 94 | 132.8 | -90 | -58.5 | 0 | 0 | 0 | 110.8 | ||||
| 76 | V | 43.4 | Very low | 36.1 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 78% | 0.782 | 77% | 0.772 | S | S | * | * | trans | -75.6 | 135.5 | 146.9 | 176.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 77 | P | 33.4 | Very low | 36.1 | Very low | 103 Ų | 103 | 142 Ų | 142 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | -131.2 | 124.5 | 119 | 30 | -17.3 | 0 | 0 | 0 | 112.3 | |||||
| 78 | N | 30.8 | Very low | 36.2 | Very low | 140 Ų | 140 | 142.5 Ų | 142.5 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | trans | 64.6 | 88.3 | 142.3 | -59.7 | -45.2 | 0 | 0 | 0 | 118.5 | ||||
| 79 | S | 32.2 | Very low | 36.1 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | -51.6 | 132 | 138.7 | -92 | 0 | 0 | 0 | 0 | 110.3 | A81 | S79-A81 PolarHBondContact O-N 3.42Š| ||
| 80 | P | 35.9 | Very low | 36.4 | Very low | 121 Ų | 121 | 137.5 Ų | 137.5 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | trans | -77.9 | 80.4 | 160.2 | 31 | -28.1 | 0 | 0 | 0 | 108.6 | L82 | P80-L82 VanDerWaalsContact C-N 3.28Å; P80-L82 PolarHBondContact O-N 2.97Å; P80-L82 VanDerWaalsContact O-N 3.17Å | ||
| 81 | A | 32.6 | Very low | 37 | Very low | 89 Ų | 89 | 138.1 Ų | 138.1 | 74% | 0.736 | 74% | 0.735 | S | S | * | * | trans | -70.4 | 91.9 | 149.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | S79 | S79-A81 PolarHBondContact O-N 3.42Š| ||
| 82 | L | 32.6 | Very low | 37.8 | Very low | 150 Ų | 150 | 131.7 Ų | 131.7 | 79% | 0.785 | 70% | 0.701 | S | S | * | * | trans | -118.9 | 89.1 | 164.5 | -73.3 | -180 | 0 | 0 | 0 | 109.8 | P80 | P80-L82 VanDerWaalsContact C-N 3.28Å; P80-L82 PolarHBondContact O-N 2.97Å; P80-L82 VanDerWaalsContact O-N 3.17Å | ||
| 83 | R | 33.3 | Very low | 38.4 | Very low | 195 Ų | 195 | 127 Ų | 127 | 74% | 0.736 | 68% | 0.679 | S | S | * | * | 57.1 | 95.1 | 117.6 | -150.8 | 174.6 | -177.6 | 132.8 | 2.8 | 115.1 | E85 | R83-E85 VanDerWaalsContact C-N 3.26Å; R83-E85 HydrophobicContact CG-CB 4.34Å; R83-E85 HydrophobicContact CG-CG 4.11Å; R83-E85 IonicContact CZ-OE2 3.1Å; R83-E85 IonicContact NE-OE2 3.34Å; R83-E85 PolarHBondContact NE-OE2 3.29Å; R83-E85 IonicContact NH2-OE2 2.96Å; R83-E85 PolarHBondContact NH2-OE2 2.67Å; R83-E85 PolarHBondContact O-N 2.96Å | |||
| 84 | M | 39.3 | Very low | 38.7 | Very low | 194 Ų | 194 | 126.2 Ų | 126.2 | 96% | 0.956 | 67% | 0.671 | S | S | * | * | trans | -62.1 | 83.5 | 156 | -63.1 | -155.4 | -55.3 | 0 | 0 | 110.3 | ||||
| 85 | E | 37.4 | Very low | 39.2 | Very low | 137 Ų | 137 | 122 Ų | 122 | 64% | 0.64 | 65% | 0.651 | S | S | * | * | trans | -146.4 | 82.7 | 165.7 | -69.8 | -157.6 | 124.1 | 0 | 0 | 111.1 | R83 | R83-E85 VanDerWaalsContact C-N 3.26Å; R83-E85 HydrophobicContact CG-CB 4.34Å; R83-E85 HydrophobicContact CG-CG 4.11Å; R83-E85 IonicContact CZ-OE2 3.1Å; R83-E85 IonicContact NE-OE2 3.34Å; R83-E85 PolarHBondContact NE-OE2 3.29Å; R83-E85 IonicContact NH2-OE2 2.96Å; R83-E85 PolarHBondContact NH2-OE2 2.67Å; R83-E85 PolarHBondContact O-N 2.96Å | ||
| 86 | K | 26.4 | Very low | 40.2 | Very low | 165 Ų | 165 | 114.5 Ų | 114.5 | 72% | 0.717 | 62% | 0.617 | S | S | * | * | trans | -171 | 110.6 | 134 | -141.7 | 164.7 | 169.5 | -165.3 | 0 | 109.1 | E88 | K86-E88 HydrophobicContact CB-CG 3.9Å; K86-E88 HydrophobicContact CD-CG 3.54Å; K86-E88 VanDerWaalsContact CD-OE1 3.26Å; K86-E88 WeakPolarHBondContact CD-OE1 3.44Å; K86-E88 WeakPolarHBondContact CE-OE1 3.22Å; K86-E88 HydrophobicContact CG-CG 3.56Å; K86-E88 IonicContact NZ-OE1 2.68Å; K86-E88 PolarHBondContact NZ-OE1 3.5Å; K86-E88 PolarHBondContact O-N 2.74Å | ||
| 87 | T | 32.8 | Very low | 40.6 | Very low | 146 Ų | 146 | 115 Ų | 115 | 90% | 0.896 | 61% | 0.61 | S | S | * | * | trans | -70.2 | 67.8 | 156.3 | 43 | 0 | 0 | 0 | 0 | 108 | T89 | T87-T89 PolarHBondContact O-N 2.93Å; T87-T89 VanDerWaalsContact O-N 3.12Å | ||
| 88 | E | 35.8 | Very low | 41.4 | Very low | 113 Ų | 113 | 117.3 Ų | 117.3 | 53% | 0.528 | 62% | 0.615 | S | S | . | * | trans | -66.2 | 111.1 | 157.9 | -65.2 | -165.8 | 157.3 | 0 | 0 | 105.1 | K86 F90 | K86-E88 HydrophobicContact CB-CG 3.9Å; K86-E88 HydrophobicContact CD-CG 3.54Å; K86-E88 VanDerWaalsContact CD-OE1 3.26Å; K86-E88 WeakPolarHBondContact CD-OE1 3.44Å; K86-E88 WeakPolarHBondContact CE-OE1 3.22Å; K86-E88 HydrophobicContact CG-CG 3.56Å; K86-E88 IonicContact NZ-OE1 2.68Å; K86-E88 PolarHBondContact NZ-OE1 3.5Å; K86-E88 PolarHBondContact O-N 2.74Å; E88-F90 PolarHBondContact O-N 3.22Å | ||
| 89 | T | 37 | Very low | 42.3 | Very low | 133 Ų | 133 | 112.4 Ų | 112.4 | 82% | 0.816 | 59% | 0.592 | S | S | * | * | trans | -61.1 | 84.2 | 158.7 | 48.8 | 0 | 0 | 0 | 0 | 106.1 | T87 D91 | T87-T89 PolarHBondContact O-N 2.93Å; T87-T89 VanDerWaalsContact O-N 3.12Å; T89-D91 PolarHBondContact O-N 2.96Å | ||
| 90 | F | 39.6 | Very low | 43.2 | Very low | 94 Ų | 94 | 110 Ų | 110 | 41% | 0.412 | 57% | 0.57 | S | S | . | * | trans | -65.6 | 103.9 | 179.9 | -166.9 | -78 | 0 | 0 | 0 | 106.3 | E88 I92 Q95 | E88-F90 PolarHBondContact O-N 3.22Å; F90-I92 PolarHBondContact O-N 2.93Å; F90-Q95 HydrophobicContact CD1-CG 4.39Å; F90-Q95 HydrophobicContact CE1-CB 3.82Å; F90-Q95 HydrophobicContact CE1-CG 3.33Å; F90-Q95 HydrophobicContact CZ-CG 3.71Å | ||
| 91 | D | 48.8 | Very low | 43.7 | Very low | 96 Ų | 96 | 108.4 Ų | 108.4 | 51% | 0.513 | 57% | 0.567 | S | S | . | * | trans | -69.5 | 109.6 | -174.4 | -149 | -23 | 0 | 0 | 0 | 108.2 | T89 T93 E94 | T89-D91 PolarHBondContact O-N 2.96Å; D91-T93 VanDerWaalsContact CG-OG1 3.23Å; D91-T93 PolarHBondContact O-N 3.18Å; D91-T93 PolarHBondContact OD1-OG1 3.12Å; D91-T93 VanDerWaalsContact OD1-OG1 3.04Å; D91-E94 PolarHBondContact O-N 3.32Å | ||
| 92 | I | 57.2 | Low | 44.6 | Very low | 12 Ų | 12 | 107.4 Ų | 107.4 | 6% | 0.062 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -52.1 | -24 | -175.9 | -63.7 | 159.2 | 0 | 0 | 0 | 111.5 | F90 E94 I96 R207 E212 | F90-I92 PolarHBondContact O-N 2.93Å; I92-E94 VanDerWaalsContact C-N 3.32Å; I92-E94 PolarHBondContact O-N 3.02Å; I92-I96 HydrophobicContact CG2-CD1 3.46Å; I92-I96 VanDerWaalsContact CG2-CD1 3.46Å; I92-I96 HydrophobicContact CG2-CG1 4.21Å; I92-I96 WeakPolarHBondContact O-CD1 3.07Å; I92-I96 WeakPolarHBondContact O-CG1 3.47Å; I92-I96 PolarHBondContact O-N 3.35Å; I92-R207 HydrophobicContact CD1-CG 3.83Å; I92-E212 WeakPolarHBondContact CD1-OE2 3.43Å |
| 93 | T | 52 | Low | 45.4 | Very low | 66 Ų | 66 | 109.4 Ų | 109.4 | 41% | 0.405 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59 | -36 | 172.9 | 30.3 | 0 | 0 | 0 | 0 | 113.9 | D91 I96 H97 | D91-T93 VanDerWaalsContact CG-OG1 3.23Å; D91-T93 PolarHBondContact O-N 3.18Å; D91-T93 PolarHBondContact OD1-OG1 3.12Å; D91-T93 VanDerWaalsContact OD1-OG1 3.04Å; T93-I96 PolarHBondContact O-N 3.47Å; T93-H97 PolarHBondContact O-CD2 3.47Å; T93-H97 PolarHBondContact O-N 3.09Å |
| 94 | E | 50.8 | Low | 45.6 | Very low | 123 Ų | 123 | 108.3 Ų | 108.3 | 58% | 0.575 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -73.1 | -40.2 | -177.6 | -65.6 | -60.6 | 131.9 | 0 | 0 | 112 | D91 I92 I96 H97 | D91-E94 PolarHBondContact O-N 3.32Å; I92-E94 VanDerWaalsContact C-N 3.32Å; I92-E94 PolarHBondContact O-N 3.02Å; E94-I96 VanDerWaalsContact C-N 3.26Å; E94-I96 PolarHBondContact O-N 3.15Å; E94-H97 PolarHBondContact O-N 3.15Å |
| 95 | Q | 57.2 | Low | 45.5 | Very low | 73 Ų | 73 | 107 Ų | 107 | 34% | 0.341 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66 | -30.1 | 174 | -106.2 | 164.3 | 23.2 | 0 | 0 | 112.7 | F90 | F90-Q95 HydrophobicContact CD1-CG 4.39Å; F90-Q95 HydrophobicContact CE1-CB 3.82Å; F90-Q95 HydrophobicContact CE1-CG 3.33Å; F90-Q95 HydrophobicContact CZ-CG 3.71Å |
| 96 | I | 56.1 | Low | 45.4 | Very low | 16 Ų | 16 | 103.5 Ų | 103.5 | 8% | 0.082 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -78.8 | -38.3 | 179.5 | -69.1 | 164.8 | 0 | 0 | 0 | 111.3 | I92 T93 E94 I98 S99 I100 A203 Y206 | I92-I96 HydrophobicContact CG2-CD1 3.46Å; I92-I96 VanDerWaalsContact CG2-CD1 3.46Å; I92-I96 HydrophobicContact CG2-CG1 4.21Å; I92-I96 WeakPolarHBondContact O-CD1 3.07Å; I92-I96 WeakPolarHBondContact O-CG1 3.47Å; I92-I96 PolarHBondContact O-N 3.35Å; T93-I96 PolarHBondContact O-N 3.47Å; E94-I96 VanDerWaalsContact C-N 3.26Å; E94-I96 PolarHBondContact O-N 3.15Å; I96-I98 VanDerWaalsContact C-N 3.27Å; I96-I98 PolarHBondContact O-N 3.45Å; I96-S99 PolarHBondContact O-N 3.4Å; I96-S99 VanDerWaalsContact O-N 3.15Å; I96-I100 HydrophobicContact CG2-CD1 3.29Å; I96-I100 HydrophobicContact CG2-CG1 4.01Å; I96-I100 WeakPolarHBondContact O-CG1 3.39Å; I96-A203 VanDerWaalsContact CD1-CA 3.49Å; I96-A203 HydrophobicContact CD1-CB 3.36Å; I96-A203 HydrophobicContact CG1-CB 4.49Å; I96-Y206 HydrophobicContact CG1-CD2 4.22Å |
| 97 | H | 51.7 | Low | 45.8 | Very low | 139 Ų | 139 | 104.4 Ų | 104.4 | 64% | 0.644 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62 | -31.5 | -178.1 | -94 | -116.8 | 0 | 0 | 0 | 113.4 | T93 E94 S99 | T93-H97 PolarHBondContact O-CD2 3.47Å; T93-H97 PolarHBondContact O-N 3.09Å; E94-H97 PolarHBondContact O-N 3.15Å; H97-S99 VanDerWaalsContact C-N 3.27Å; H97-S99 PolarHBondContact O-N 3.42Å |
| 98 | I | 49.2 | Very low | 45.7 | Very low | 151 Ų | 151 | 106.8 Ų | 106.8 | 77% | 0.774 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -19.8 | 179.3 | -62.1 | 168.8 | 0 | 0 | 0 | 112.3 | I96 | I96-I98 VanDerWaalsContact C-N 3.27Å; I96-I98 PolarHBondContact O-N 3.45Å |
| 99 | S | 50.2 | Low | 45.5 | Very low | 38 Ų | 38 | 106.9 Ų | 106.9 | 27% | 0.266 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -109.1 | 1.5 | -173.5 | -56.7 | 0 | 0 | 0 | 0 | 115.2 | I96 H97 A101 N188 | I96-S99 PolarHBondContact O-N 3.4Å; I96-S99 VanDerWaalsContact O-N 3.15Å; H97-S99 VanDerWaalsContact C-N 3.27Å; H97-S99 PolarHBondContact O-N 3.42Å; S99-A101 PolarHBondContact O-N 3.39Å; S99-N188 PolarHBondContact OG-ND2 2.99Å |
| 100 | I | 50.8 | Low | 45.3 | Very low | 60 Ų | 60 | 107.4 Ų | 107.4 | 31% | 0.308 | 57% | 0.572 | S | S | . | * | trans | -100.6 | 51.9 | -177.7 | -55.9 | 162.9 | 0 | 0 | 0 | 111.9 | I96 P102 F185 | I96-I100 HydrophobicContact CG2-CD1 3.29Å; I96-I100 HydrophobicContact CG2-CG1 4.01Å; I96-I100 WeakPolarHBondContact O-CG1 3.39Å; I100-P102 WeakPolarHBondContact O-CD 3.37Å; I100-F185 HydrophobicContact CG2-CE1 3.8Å | ||
| 101 | A | 48.1 | Very low | 44.8 | Very low | 86 Ų | 86 | 108.2 Ų | 108.2 | 71% | 0.711 | 59% | 0.589 | S | S | * | * | trans | -83.9 | 106.9 | 157.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | S99 K103 | S99-A101 PolarHBondContact O-N 3.39Å; A101-K103 PolarHBondContact O-N 3.42Å | ||
| 102 | P | 49.9 | Very low | 44 | Very low | 69 Ų | 69 | 109.4 Ų | 109.4 | 45% | 0.448 | 61% | 0.605 | S | S | . | * | trans | -59.9 | 131.7 | 169.5 | 25.9 | -31.1 | 0 | 0 | 0 | 108.3 | I100 E104 | I100-P102 WeakPolarHBondContact O-CD 3.37Å; P102-E104 PolarHBondContact O-N 3.28Å | ||
| 103 | K | 50.5 | Low | 42.7 | Very low | 192 Ų | 192 | 114 Ų | 114 | 84% | 0.835 | 64% | 0.644 | S | S | * | * | trans | -61.6 | 111.7 | 162.5 | -73.5 | 180 | 177.1 | 174.7 | 0 | 106.5 | A101 F105 | A101-K103 PolarHBondContact O-N 3.42Å; K103-F105 PolarHBondContact O-N 3.13Å | ||
| 104 | E | 36.6 | Very low | 41.8 | Very low | 172 Ų | 172 | 114.5 Ų | 114.5 | 80% | 0.804 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 123.2 | 179.5 | -64.8 | -61.8 | 137.3 | 0 | 0 | 109.3 | P102 | P102-E104 PolarHBondContact O-N 3.28Š|
| 105 | F | 38 | Very low | 40.9 | Very low | 167 Ų | 167 | 118.8 Ų | 118.8 | 73% | 0.732 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 121.5 | 173.6 | -162.2 | -89 | 0 | 0 | 0 | 106.9 | K103 E107 | K103-F105 PolarHBondContact O-N 3.13Å; F105-E107 PolarHBondContact O-N 2.84Å |
| 106 | G | 35.9 | Very low | 40 | Very low | 62 Ų | 62 | 127 Ų | 127 | 64% | 0.639 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -48 | 127.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E108 | G106-E108 PolarHBondContact O-N 2.85Š|
| 107 | E | 34.5 | Very low | 38.8 | Very low | 185 Ų | 185 | 130.1 Ų | 130.1 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | trans | -77.3 | 95.2 | 178.8 | 45 | -164.2 | 130.6 | 0 | 0 | 110.4 | F105 S109 | F105-E107 PolarHBondContact O-N 2.84Å; E107-S109 PolarHBondContact O-N 2.77Å | ||
| 108 | E | 30.1 | Very low | 37.8 | Very low | 195 Ų | 195 | 127.5 Ų | 127.5 | 91% | 0.911 | 75% | 0.754 | S | S | * | * | trans | -75 | 119.3 | 158.4 | -80 | -164.2 | 123.8 | 0 | 0 | 109.5 | G106 | G106-E108 PolarHBondContact O-N 2.85Š| ||
| 109 | S | 31.3 | Very low | 37 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | trans | -75.1 | 121.2 | -168.9 | -15.8 | 0 | 0 | 0 | 0 | 110 | E107 | E107-S109 PolarHBondContact O-N 2.77Š| ||
| 110 | V | 32.5 | Very low | 36.1 | Very low | 144 Ų | 144 | 132.5 Ų | 132.5 | 87% | 0.873 | 79% | 0.788 | S | S | * | * | trans | -113.4 | 108.9 | 154.9 | -70.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 111 | S | 29 | Very low | 35.1 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | -60.2 | 134.9 | -176.2 | 47.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 112 | S | 32.4 | Very low | 34.5 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | trans | -155.6 | 84.2 | 155.8 | -72.2 | 0 | 0 | 0 | 0 | 107.5 | G114 | S112-G114 PolarHBondContact O-N 3.28Š| ||
| 113 | A | 30.1 | Very low | 33.9 | Very low | 107 Ų | 107 | 138.3 Ų | 138.3 | 88% | 0.884 | 84% | 0.838 | S | S | * | * | trans | -68.3 | 113.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 114 | G | 32.2 | Very low | 33.5 | Very low | 77 Ų | 77 | 135.1 Ų | 135.1 | 79% | 0.794 | 84% | 0.836 | S | S | * | * | trans | -107.5 | 96 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | S112 R116 | S112-G114 PolarHBondContact O-N 3.28Å; G114-R116 PolarHBondContact O-N 2.99Å | ||
| 115 | K | 33 | Very low | 33.4 | Very low | 213 Ų | 213 | 132.8 Ų | 132.8 | 93% | 0.926 | 83% | 0.834 | S | S | * | * | trans | -62.9 | 125.8 | 170.5 | -89.9 | 174.6 | 173.5 | 176.5 | 0 | 109.7 | ||||
| 116 | R | 37.4 | Very low | 33.3 | Very low | 246 Ų | 246 | 130.3 Ų | 130.3 | 93% | 0.928 | 83% | 0.833 | S | S | * | * | trans | -129.6 | 117.5 | 149.7 | -77.7 | -171.4 | 176.8 | -158.9 | -1.9 | 108.1 | G114 | G114-R116 PolarHBondContact O-N 2.99Š| ||
| 117 | G | 31.8 | Very low | 33.4 | Very low | 82 Ų | 82 | 135.1 Ų | 135.1 | 85% | 0.845 | 84% | 0.843 | S | S | * | * | trans | -63.9 | 173 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 118 | G | 29.3 | Very low | 33.3 | Very low | 83 Ų | 83 | 130.9 Ų | 130.9 | 86% | 0.856 | 84% | 0.84 | S | S | * | * | cis | 173.6 | 138.5 | 6.4 | 0 | 0 | 0 | 0 | 0 | 103.1 | ||||
| 119 | G | 32.5 | Very low | 33.5 | Very low | 80 Ų | 80 | 126.7 Ų | 126.7 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | trans | -168.2 | 118.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 120 | K | 32.3 | Very low | 34 | Very low | 215 Ų | 215 | 127.8 Ų | 127.8 | 94% | 0.935 | 84% | 0.84 | S | S | * | * | trans | -75.9 | 155.3 | -158.3 | -63.5 | 174.1 | 174.1 | -175.2 | 0 | 113.4 | ||||
| 121 | A | 30.3 | Very low | 34.2 | Very low | 105 Ų | 105 | 127.6 Ų | 127.6 | 87% | 0.868 | 84% | 0.839 | S | S | * | * | trans | -60.6 | 145.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 122 | A | 34.1 | Very low | 34.7 | Very low | 103 Ų | 103 | 130.7 Ų | 130.7 | 85% | 0.851 | 84% | 0.842 | S | S | * | * | trans | -141.2 | 137.7 | 154.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 123 | T | 37.5 | Very low | 35.3 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 79% | 0.785 | 84% | 0.842 | S | S | * | * | trans | -71.6 | 161.2 | -169.1 | 47.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 124 | P | 42.9 | Very low | 35.5 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 81% | 0.812 | 84% | 0.838 | S | S | * | * | trans | -91.8 | 140.3 | 172.4 | 34.8 | -29.9 | 0 | 0 | 0 | 112.4 | ||||
| 125 | T | 35 | Very low | 36.2 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 76% | 0.761 | 83% | 0.834 | S | S | * | * | trans | -142.7 | 106.9 | 166.9 | -63.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 126 | T | 35.1 | Very low | 36.7 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 71% | 0.706 | 83% | 0.834 | S | S | * | * | trans | 51.3 | 116 | 137.7 | -11.8 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 127 | L | 37.8 | Very low | 37.1 | Very low | 162 Ų | 162 | 131 Ų | 131 | 85% | 0.848 | 83% | 0.828 | S | S | * | * | trans | 42.9 | 123.6 | 136.1 | -64.7 | 169.9 | 0 | 0 | 0 | 123 | ||||
| 128 | A | 32.5 | Very low | 37.8 | Very low | 97 Ų | 97 | 136.6 Ų | 136.6 | 80% | 0.802 | 83% | 0.829 | S | S | * | * | 126.8 | 139.4 | 116 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 129 | A | 34 | Very low | 38.3 | Very low | 106 Ų | 106 | 139.3 Ų | 139.3 | 88% | 0.876 | 82% | 0.823 | S | S | * | * | trans | 95.6 | 132 | 150.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 130 | V | 42.1 | Very low | 39 | Very low | 139 Ų | 139 | 144.9 Ų | 144.9 | 84% | 0.842 | 83% | 0.825 | S | S | * | * | trans | -71.8 | 140.6 | -170.9 | 173.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 131 | T | 36.2 | Very low | 39.6 | Very low | 140 Ų | 140 | 146 Ų | 146 | 86% | 0.859 | 82% | 0.823 | S | S | * | * | trans | -156.8 | 152 | 145.3 | -22.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 132 | E | 40.8 | Very low | 40 | Very low | 177 Ų | 177 | 144.2 Ų | 144.2 | 83% | 0.827 | 82% | 0.816 | S | S | * | * | trans | -47.6 | 163.8 | -162.5 | -65.3 | -153.2 | 129.5 | 0 | 0 | 122 | S134 | E132-S134 PolarHBondContact O-N 2.9Š| ||
| 133 | P | 44.4 | Very low | 40.5 | Very low | 132 Ų | 132 | 150.5 Ų | 150.5 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | trans | -81.2 | 113 | -177.4 | 32.1 | -32.7 | 0 | 0 | 0 | 113.3 | ||||
| 134 | S | 34.5 | Very low | 40.8 | Very low | 115 Ų | 115 | 149.1 Ų | 149.1 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -95.4 | 160.2 | 169.8 | -135.7 | 0 | 0 | 0 | 0 | 111.9 | E132 | E132-S134 PolarHBondContact O-N 2.9Š| ||
| 135 | P | 46 | Very low | 40.7 | Very low | 108 Ų | 108 | 149 Ų | 149 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | trans | -80.6 | 153.1 | -140.1 | 32.2 | -37.4 | 0 | 0 | 0 | 115.1 | Q137 | P135-Q137 PolarHBondContact O-N 2.94Š| ||
| 136 | R | 44.3 | Very low | 41.7 | Very low | 245 Ų | 245 | 148.2 Ų | 148.2 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | -32.5 | 100.1 | 170.7 | -82.2 | 177.2 | 167.8 | -130.4 | -1 | 112.8 | K138 | R136-K138 PolarHBondContact O-N 2.94Å; R136-K138 VanDerWaalsContact O-N 3.1Å | ||
| 137 | Q | 46.5 | Very low | 42.4 | Very low | 171 Ų | 171 | 148.6 Ų | 148.6 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | trans | -63.5 | 112.1 | 161 | -75.3 | -176.3 | -25.6 | 0 | 0 | 107.8 | P135 N139 | P135-Q137 PolarHBondContact O-N 2.94Å; Q137-N139 VanDerWaalsContact C-N 3.33Å; Q137-N139 PolarHBondContact O-N 2.72Å; Q137-N139 PolarHBondContact O-OD1 2.98Å | ||
| 138 | K | 46.4 | Very low | 43.4 | Very low | 198 Ų | 198 | 147.6 Ų | 147.6 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | trans | -63.9 | 100 | 166.3 | -71.9 | 174.3 | -178.6 | 171.7 | 0 | 106.5 | R136 K140 | R136-K138 PolarHBondContact O-N 2.94Å; R136-K138 VanDerWaalsContact O-N 3.1Å; K138-K140 PolarHBondContact O-N 2.91Å | ||
| 139 | N | 40.2 | Very low | 44.7 | Very low | 140 Ų | 140 | 146.4 Ų | 146.4 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | trans | -61.3 | 89.3 | 168.5 | -65.2 | 5.8 | 0 | 0 | 0 | 107.4 | Q137 R141 | Q137-N139 VanDerWaalsContact C-N 3.33Å; Q137-N139 PolarHBondContact O-N 2.72Å; Q137-N139 PolarHBondContact O-OD1 2.98Å; N139-R141 VanDerWaalsContact C-N 3.31Å; N139-R141 PolarHBondContact O-N 3.12Å | ||
| 140 | K | 46 | Very low | 46 | Very low | 197 Ų | 197 | 145.1 Ų | 145.1 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | trans | -56.3 | 106 | 159.9 | -81.4 | 179.4 | 177.8 | 175.4 | 0 | 103.9 | K138 G142 | K138-K140 PolarHBondContact O-N 2.91Å; K140-G142 PolarHBondContact O-N 2.84Å | ||
| 141 | R | 44.4 | Very low | 47.1 | Very low | 238 Ų | 238 | 144.7 Ų | 144.7 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | -52.9 | 97 | 165.2 | -77.1 | -178.7 | -83.8 | -156.4 | -5.8 | 105.5 | N139 R143 | N139-R141 VanDerWaalsContact C-N 3.31Å; N139-R141 PolarHBondContact O-N 3.12Å; R141-R143 PolarHBondContact O-N 2.92Å | ||
| 142 | G | 39.2 | Very low | 48.7 | Very low | 69 Ų | 69 | 145.2 Ų | 145.2 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | -55.9 | 111.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 105.5 | K140 S144 | K140-G142 PolarHBondContact O-N 2.84Å; G142-S144 PolarHBondContact O-N 2.68Å | ||
| 143 | R | 44.6 | Very low | 50.5 | Low | 235 Ų | 235 | 144.8 Ų | 144.8 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | trans | -60.8 | 103.7 | 156.1 | -84 | 177.4 | -173.6 | -119.6 | -2 | 103.4 | R141 C145 | R141-R143 PolarHBondContact O-N 2.92Å; R143-C145 PolarHBondContact O-N 2.89Å | ||
| 144 | S | 44 | Very low | 52.6 | Low | 98 Ų | 98 | 146 Ų | 146 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | trans | -52.7 | 114.6 | 168.4 | 170.7 | 0 | 0 | 0 | 0 | 105.8 | G142 T146 | G142-S144 PolarHBondContact O-N 2.68Å; S144-T146 PolarHBondContact O-N 3.39Å | ||
| 145 | C | 40.4 | Very low | 55.2 | Low | 122 Ų | 122 | 142.9 Ų | 142.9 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | trans | -67.9 | 84 | 171.6 | -44.1 | 0 | 0 | 0 | 0 | 106 | R143 D147 | R143-C145 PolarHBondContact O-N 2.89Å; C145-D147 PolarHBondContact O-N 3.47Å | ||
| 146 | T | 55.9 | Low | 57.3 | Low | 108 Ų | 108 | 144.1 Ų | 144.1 | 66% | 0.663 | 74% | 0.738 | S | S | * | * | trans | -70 | 116.9 | 168.5 | 54 | 0 | 0 | 0 | 0 | 107 | S144 | S144-T146 PolarHBondContact O-N 3.39Š| ||
| 147 | D | 50.3 | Low | 59.5 | Low | 124 Ų | 124 | 133 Ų | 133 | 66% | 0.663 | 70% | 0.698 | S | S | * | * | trans | -47.7 | 127.4 | 177.2 | -90 | -65.1 | 0 | 0 | 0 | 110.7 | C145 G149 S150 | C145-D147 PolarHBondContact O-N 3.47Å; D147-G149 PolarHBondContact O-N 2.98Å; D147-S150 PolarHBondContact O-N 3.02Å | ||
| 148 | P | 59.2 | Low | 61.6 | Low | 141 Ų | 141 | 132.7 Ų | 132.7 | 92% | 0.916 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -5.6 | 179.2 | -24.3 | 33 | 0 | 0 | 0 | 115.5 | ||
| 149 | G | 59.8 | Low | 63.6 | Low | 71 Ų | 71 | 129.5 Ų | 129.5 | 73% | 0.732 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | 1.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | D147 | D147-G149 PolarHBondContact O-N 2.98Š|
| 150 | S | 60.2 | Low | 65.9 | Low | 79 Ų | 79 | 129.4 Ų | 129.4 | 55% | 0.552 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -74.8 | 125.8 | 179 | -70.5 | 0 | 0 | 0 | 0 | 111 | D147 Q152 | D147-S150 PolarHBondContact O-N 3.02Å; S150-Q152 PolarHBondContact O-N 3.37Å |
| 151 | P | 66.2 | Low | 67.9 | Low | 131 Ų | 131 | 124.1 Ų | 124.1 | 85% | 0.851 | 69% | 0.685 | S | S | * | * | trans | -62.6 | 105.5 | 177.9 | 22 | -29.5 | 0 | 0 | 0 | 109.7 | K153 | P151-K153 PolarHBondContact O-N 3.32Š| ||
| 152 | Q | 69.6 | Low | 70 | Confident | 151 Ų | 151 | 113.6 Ų | 113.6 | 71% | 0.706 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 116.1 | 175.4 | -65.2 | -167.9 | -4 | 0 | 0 | 108.6 | S150 K154 | S150-Q152 PolarHBondContact O-N 3.37Å; Q152-K154 PolarHBondContact O-N 2.74Å; Q152-K154 VanDerWaalsContact O-N 3.1Å |
| 153 | K | 77.8 | Confident | 72.5 | Confident | 167 Ų | 167 | 119.3 Ų | 119.3 | 73% | 0.726 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 116.2 | 175 | -172.4 | 174.4 | -178.4 | 177.1 | 0 | 108.8 | P151 H155 | P151-K153 PolarHBondContact O-N 3.32Å; K153-H155 PolarHBondContact O-CD2 3.45Å |
| 154 | K | 88.4 | Confident | 74.7 | Confident | 157 Ų | 157 | 113.5 Ų | 113.5 | 68% | 0.683 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 142.1 | 177.4 | -64.9 | -178.8 | -176.5 | 177.9 | 0 | 110 | Q152 V165 | Q152-K154 PolarHBondContact O-N 2.74Å; Q152-K154 VanDerWaalsContact O-N 3.1Å; K154-V165 HydrophobicContact CB-CG1 3.76Å; K154-V165 HydrophobicContact CD-CG1 4.28Å; K154-V165 HydrophobicContact CG-CG1 4.4Å |
| 155 | H | 89 | Confident | 77 | Confident | 51 Ų | 51 | 112.2 Ų | 112.2 | 24% | 0.236 | 63% | 0.625 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.1 | 108.6 | -179.3 | -64.5 | -84.6 | 0 | 0 | 0 | 109.4 | K153 Y166 S169 L172 | K153-H155 PolarHBondContact O-CD2 3.45Å; H155-Y166 WeakPolarHBondContact CB-O 3.34Å; H155-Y166 PolarHBondContact N-O 2.81Å; H155-Y166 PolarHBondContact O-N 2.78Å; H155-S169 PolarHBondContact CD2-N 3.38Å; H155-S169 PolarHBondContact NE2-N 3.15Å; H155-L172 HydrophobicContact CB-CB 3.95Å; H155-L172 HydrophobicContact CB-CD2 3.77Å; H155-L172 HydrophobicContact CB-CG 4.44Å |
| 156 | K | 90.1 | Very high | 79.3 | Confident | 133 Ų | 133 | 108.8 Ų | 108.8 | 58% | 0.578 | 60% | 0.595 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.8 | 147.3 | -178.6 | -57.9 | -170.9 | 176.9 | -178.3 | 0 | 111.2 | H158 V165 L172 | K156-H158 PolarHBondContact O-CE1 3.22Å; K156-V165 HydrophobicContact CB-CG2 4.41Å; K156-V165 HydrophobicContact CD-CG2 4.44Å; K156-V165 HydrophobicContact CG-CG1 4.02Å; K156-V165 HydrophobicContact CG-CG2 3.86Å; K156-L172 VanDerWaalsContact O-CD2 3.32Å; K156-L172 WeakPolarHBondContact O-CD2 3.41Å |
| 157 | C | 91.7 | Very high | 81 | Confident | 13 Ų | 13 | 105.6 Ų | 105.6 | 9% | 0.088 | 58% | 0.584 | C | S | . | * | trans | -73.5 | 137.2 | 164.7 | -166.2 | 0 | 0 | 0 | 0 | 109.4 | C162 K164 L172 H175 | C157-C162 HydrophobicContact CB-CB 4.37Å; C157-K164 WeakPolarHBondContact CB-O 3.47Å; C157-K164 PolarHBondContact N-O 2.91Å; C157-L172 HydrophobicContact CB-CD1 4.14Å; C157-H175 PolarHBondContact SG-NE2 3.03Å; C157-H175 VanDerWaalsContact SG-NE2 3.37Å | ||
| 158 | H | 89.3 | Confident | 82.8 | Confident | 164 Ų | 164 | 105.7 Ų | 105.7 | 76% | 0.759 | 58% | 0.578 | S | S | * | * | trans | -104.3 | 3.8 | 178.1 | -55.1 | 101.3 | 0 | 0 | 0 | 112.2 | K156 | K156-H158 PolarHBondContact O-CE1 3.22Š| ||
| 159 | Y | 89.9 | Confident | 84.1 | Confident | 130 Ų | 130 | 102.5 Ų | 102.5 | 51% | 0.51 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -70.9 | 134.3 | 179.3 | -159.6 | -91.2 | 0 | 0 | 0 | 110.2 | G161 C162 H179 | Y159-G161 PolarHBondContact O-N 2.94Å; Y159-C162 WeakPolarHBondContact O-CB 3.29Å; Y159-C162 PolarHBondContact O-N 3.41Å; Y159-H179 HydrophobicContact CD1-CB 4.44Å; Y159-H179 AromaticContact CD1-CE1 3.5Å; Y159-H179 AromaticContact CD1-CG 3.82Å; Y159-H179 AromaticContact CD1-ND1 3.16Å; Y159-H179 WeakPolarHBondContact CD1-ND1 3.35Å; Y159-H179 HydrophobicContact CD2-CB 3.63Å; Y159-H179 AromaticContact CD2-CG 3.7Å; Y159-H179 AromaticContact CD2-ND1 3.92Å; Y159-H179 AromaticContact CE1-ND1 3.53Å; Y159-H179 HydrophobicContact CE2-CB 3.74Å; Y159-H179 HydrophobicContact CG-CB 3.99Å; Y159-H179 AromaticContact CG-CD2 3.94Å; Y159-H179 AromaticContact CG-CE1 3.72Å; Y159-H179 AromaticContact CG-CG 3.5Å; Y159-H179 AromaticContact CG-ND1 3.36Å |
| 160 | V | 88.7 | Confident | 85.4 | Confident | 139 Ų | 139 | 102.3 Ų | 102.3 | 84% | 0.842 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 127 | -178.1 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | ||
| 161 | G | 87.4 | Confident | 86.7 | Confident | 85 Ų | 85 | 103.3 Ų | 103.3 | 88% | 0.876 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 9.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y159 | Y159-G161 PolarHBondContact O-N 2.94Š|
| 162 | C | 89.1 | Confident | 87.8 | Confident | 18 Ų | 18 | 98.1 Ų | 98.1 | 12% | 0.122 | 51% | 0.507 | C | S | . | . | trans | -117.7 | 111.5 | 175.7 | -168.7 | 0 | 0 | 0 | 0 | 112.6 | C157 Y159 H175 H179 | C157-C162 HydrophobicContact CB-CB 4.37Å; Y159-C162 WeakPolarHBondContact O-CB 3.29Å; Y159-C162 PolarHBondContact O-N 3.41Å; C162-H175 PolarHBondContact SG-NE2 2.9Å; C162-H179 PolarHBondContact SG-NE2 3.36Å; C162-H179 VanDerWaalsContact SG-NE2 3.35Å | ||
| 163 | E | 90.1 | Very high | 88.7 | Confident | 188 Ų | 188 | 97.9 Ų | 97.9 | 88% | 0.879 | 50% | 0.504 | S | S | * | . | trans | -97.4 | 18.4 | -177.6 | -60.7 | -175.4 | 166.3 | 0 | 0 | 113.7 | ||||
| 164 | K | 91.5 | Very high | 89.1 | Confident | 114 Ų | 114 | 91 Ų | 91 | 50% | 0.496 | 48% | 0.479 | S | S | . | . | trans | -75.8 | 137.1 | -174.2 | -65.7 | -177 | -172.9 | 170.4 | 0 | 112.2 | C157 Y166 | C157-K164 WeakPolarHBondContact CB-O 3.47Å; C157-K164 PolarHBondContact N-O 2.91Å; K164-Y166 HydrophobicContact CB-CE2 3.69Å; K164-Y166 VanDerWaalsContact CD-OH 3.28Å; K164-Y166 WeakPolarHBondContact CD-OH 3.2Å | ||
| 165 | V | 91.7 | Very high | 89 | Confident | 70 Ų | 70 | 84 Ų | 84 | 42% | 0.424 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 137.5 | 179.7 | -172.3 | 0 | 0 | 0 | 0 | 110.5 | K154 K156 | K154-V165 HydrophobicContact CB-CG1 3.76Å; K154-V165 HydrophobicContact CD-CG1 4.28Å; K154-V165 HydrophobicContact CG-CG1 4.4Å; K156-V165 HydrophobicContact CB-CG2 4.41Å; K156-V165 HydrophobicContact CD-CG2 4.44Å; K156-V165 HydrophobicContact CG-CG1 4.02Å; K156-V165 HydrophobicContact CG-CG2 3.86Å |
| 166 | Y | 90.3 | Very high | 89 | Confident | 50 Ų | 50 | 84.9 Ų | 84.9 | 20% | 0.196 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 140 | -173.4 | -60.4 | -86.7 | 0 | 0 | 0 | 111.1 | H155 K164 K168 H171 L172 H175 | H155-Y166 WeakPolarHBondContact CB-O 3.34Å; H155-Y166 PolarHBondContact N-O 2.81Å; H155-Y166 PolarHBondContact O-N 2.78Å; K164-Y166 HydrophobicContact CB-CE2 3.69Å; K164-Y166 VanDerWaalsContact CD-OH 3.28Å; K164-Y166 WeakPolarHBondContact CD-OH 3.2Å; Y166-K168 VanDerWaalsContact C-N 3.25Å; Y166-K168 PolarHBondContact O-N 3.35Å; Y166-H171 HydrophobicContact CD1-CB 3.66Å; Y166-H171 HydrophobicContact CG-CB 4.13Å; Y166-L172 HydrophobicContact CD2-CB 3.99Å; Y166-L172 HydrophobicContact CD2-CD1 3.82Å; Y166-L172 HydrophobicContact CE2-CD1 4.12Å; Y166-L172 HydrophobicContact CG-CB 4.31Å; Y166-H175 HydrophobicContact CE1-CB 4.13Å; Y166-H175 HydrophobicContact CE2-CB 3.77Å; Y166-H175 AromaticContact CE2-CD2 3.3Å; Y166-H175 WeakPolarHBondContact CE2-CD2 3.06Å; Y166-H175 AromaticContact CE2-CG 3.65Å; Y166-H175 VanDerWaalsContact CZ-CB 3.46Å; Y166-H175 AromaticContact CZ-CD2 3.61Å; Y166-H175 AromaticContact CZ-CG 3.47Å; Y166-H175 VanDerWaalsContact CZ-CG 3.47Å; Y166-H175 VanDerWaalsContact OH-CB 3.3Å; Y166-H175 WeakPolarHBondContact OH-CB 3.46Å; Y166-H175 PolarHBondContact OH-CD2 3.1Å; Y166-H175 VanDerWaalsContact OH-CD2 3.26Å; Y166-H175 PolarHBondContact OH-ND1 2.8Å |
| 167 | G | 89.8 | Confident | 88.9 | Confident | 41 Ų | 41 | 81 Ų | 81 | 42% | 0.423 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -76.6 | -9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 168 | K | 88.8 | Confident | 88.6 | Confident | 126 Ų | 126 | 84.8 Ų | 84.8 | 55% | 0.548 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -134.9 | 139 | -179.1 | -63.9 | -176.8 | -178.5 | -179.6 | 0 | 110.8 | Y166 S170 H171 L172 | Y166-K168 VanDerWaalsContact C-N 3.25Å; Y166-K168 PolarHBondContact O-N 3.35Å; K168-S170 VanDerWaalsContact C-N 3.29Å; K168-S170 PolarHBondContact O-N 3.43Å; K168-H171 PolarHBondContact O-N 3Å; K168-L172 PolarHBondContact O-N 3.05Å |
| 169 | S | 87.7 | Confident | 88.5 | Confident | 74 Ų | 74 | 79.3 Ų | 79.3 | 52% | 0.517 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59 | -39.2 | 176.5 | 56.7 | 0 | 0 | 0 | 0 | 112.5 | H155 H171 L172 K173 | H155-S169 PolarHBondContact CD2-N 3.38Å; H155-S169 PolarHBondContact NE2-N 3.15Å; S169-H171 VanDerWaalsContact C-N 3.28Å; S169-H171 PolarHBondContact O-N 3.34Å; S169-L172 PolarHBondContact O-N 3.04Å; S169-K173 PolarHBondContact O-N 3.28Å |
| 170 | S | 86.1 | Confident | 88.3 | Confident | 68 Ų | 68 | 77.3 Ų | 77.3 | 48% | 0.476 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.1 | -35.3 | 177.9 | 57.6 | 0 | 0 | 0 | 0 | 112.9 | K168 A174 | K168-S170 VanDerWaalsContact C-N 3.29Å; K168-S170 PolarHBondContact O-N 3.43Å; S170-A174 WeakPolarHBondContact O-CB 3.25Å; S170-A174 PolarHBondContact O-N 2.87Å |
| 171 | H | 88.4 | Confident | 88.1 | Confident | 100 Ų | 100 | 73.2 Ų | 73.2 | 46% | 0.463 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -73 | -39 | 176.6 | -64.5 | 177.7 | 0 | 0 | 0 | 111.7 | Y166 K168 S169 A174 H175 | Y166-H171 HydrophobicContact CD1-CB 3.66Å; Y166-H171 HydrophobicContact CG-CB 4.13Å; K168-H171 PolarHBondContact O-N 3Å; S169-H171 VanDerWaalsContact C-N 3.28Å; S169-H171 PolarHBondContact O-N 3.34Å; H171-A174 PolarHBondContact O-N 2.7Å; H171-H175 WeakPolarHBondContact O-CB 3.15Å; H171-H175 PolarHBondContact O-N 3.17Å |
| 172 | L | 89.3 | Confident | 88.1 | Confident | 21 Ų | 21 | 72.9 Ų | 72.9 | 11% | 0.11 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.1 | -47.3 | 172.1 | 175.4 | 64.1 | 0 | 0 | 0 | 110.4 | H155 K156 C157 Y166 K168 S169 A174 H175 L176 | H155-L172 HydrophobicContact CB-CB 3.95Å; H155-L172 HydrophobicContact CB-CD2 3.77Å; H155-L172 HydrophobicContact CB-CG 4.44Å; K156-L172 VanDerWaalsContact O-CD2 3.32Å; K156-L172 WeakPolarHBondContact O-CD2 3.41Å; C157-L172 HydrophobicContact CB-CD1 4.14Å; Y166-L172 HydrophobicContact CD2-CB 3.99Å; Y166-L172 HydrophobicContact CD2-CD1 3.82Å; Y166-L172 HydrophobicContact CE2-CD1 4.12Å; Y166-L172 HydrophobicContact CG-CB 4.31Å; K168-L172 PolarHBondContact O-N 3.05Å; S169-L172 PolarHBondContact O-N 3.04Å; L172-A174 VanDerWaalsContact C-N 3.33Å; L172-A174 PolarHBondContact O-N 2.99Å; L172-H175 CarbonylContact O-C 3.49Å; L172-H175 WeakPolarHBondContact O-CA 3.26Å; L172-H175 WeakPolarHBondContact O-CB 3.47Å; L172-H175 PolarHBondContact O-N 3Å; L172-L176 HydrophobicContact CD1-CD2 4.41Å; L172-L176 HydrophobicContact CD1-CG 4.29Å; L172-L176 HydrophobicContact CG-CD1 4.38Å; L172-L176 HydrophobicContact CG-CG 4.42Å; L172-L176 WeakPolarHBondContact O-CG 3.35Å; L172-L176 PolarHBondContact O-N 2.72Å |
| 173 | K | 86.7 | Confident | 87.9 | Confident | 146 Ų | 146 | 79.7 Ų | 79.7 | 64% | 0.635 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -58.6 | -43.6 | 178.1 | -168.1 | 171.6 | -168.9 | 172.8 | 0 | 112 | S169 H175 L176 | S169-K173 PolarHBondContact O-N 3.28Å; K173-H175 VanDerWaalsContact C-N 3.32Å; K173-H175 PolarHBondContact O-N 3.17Å; K173-L176 PolarHBondContact O-N 3.44Å |
| 174 | A | 86.3 | Confident | 87.6 | Confident | 23 Ų | 23 | 73.4 Ų | 73.4 | 19% | 0.19 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65 | -35.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S170 H171 L172 R177 R198 | S170-A174 WeakPolarHBondContact O-CB 3.25Å; S170-A174 PolarHBondContact O-N 2.87Å; H171-A174 PolarHBondContact O-N 2.7Å; L172-A174 VanDerWaalsContact C-N 3.33Å; L172-A174 PolarHBondContact O-N 2.99Å; A174-R177 WeakPolarHBondContact O-CB 3.43Å; A174-R198 HydrophobicContact CB-CG 4.31Å |
| 175 | H | 87.6 | Confident | 87.4 | Confident | 11 Ų | 11 | 68.9 Ų | 68.9 | 5% | 0.051 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -69.1 | -38.7 | 174.8 | 167.6 | 49.4 | 0 | 0 | 0 | 112.7 | C157 C162 Y166 H171 L172 K173 R177 T178 H179 | C157-H175 PolarHBondContact SG-NE2 3.03Å; C157-H175 VanDerWaalsContact SG-NE2 3.37Å; C162-H175 PolarHBondContact SG-NE2 2.9Å; Y166-H175 HydrophobicContact CE1-CB 4.13Å; Y166-H175 HydrophobicContact CE2-CB 3.77Å; Y166-H175 AromaticContact CE2-CD2 3.3Å; Y166-H175 WeakPolarHBondContact CE2-CD2 3.06Å; Y166-H175 AromaticContact CE2-CG 3.65Å; Y166-H175 VanDerWaalsContact CZ-CB 3.46Å; Y166-H175 AromaticContact CZ-CD2 3.61Å; Y166-H175 AromaticContact CZ-CG 3.47Å; Y166-H175 VanDerWaalsContact CZ-CG 3.47Å; Y166-H175 VanDerWaalsContact OH-CB 3.3Å; Y166-H175 WeakPolarHBondContact OH-CB 3.46Å; Y166-H175 PolarHBondContact OH-CD2 3.1Å; Y166-H175 VanDerWaalsContact OH-CD2 3.26Å; Y166-H175 PolarHBondContact OH-ND1 2.8Å; H171-H175 WeakPolarHBondContact O-CB 3.15Å; H171-H175 PolarHBondContact O-N 3.17Å; L172-H175 CarbonylContact O-C 3.49Å; L172-H175 WeakPolarHBondContact O-CA 3.26Å; L172-H175 WeakPolarHBondContact O-CB 3.47Å; L172-H175 PolarHBondContact O-N 3Å; K173-H175 VanDerWaalsContact C-N 3.32Å; K173-H175 PolarHBondContact O-N 3.17Å; H175-R177 PolarHBondContact O-N 2.91Å; H175-R177 VanDerWaalsContact O-N 3.1Å; H175-T178 PolarHBondContact CE1-OG1 3.47Å; H175-T178 PolarHBondContact ND1-OG1 3.39Å; H175-T178 VanDerWaalsContact ND1-OG1 3.13Å; H175-T178 WeakPolarHBondContact O-CB 3.48Å; H175-T178 WeakPolarHBondContact O-CG2 3.46Å; H175-T178 PolarHBondContact O-N 2.7Å; H175-T178 PolarHBondContact O-OG1 3.26Å; H175-H179 AromaticContact CE1-CD2 3.78Å; H175-H179 AromaticContact CE1-NE2 3.22Å; H175-H179 PolarHBondContact CE1-NE2 3.19Å; H175-H179 AromaticContact NE2-CD2 3.81Å; H175-H179 AromaticContact NE2-NE2 3.24Å; H175-H179 PolarHBondContact NE2-NE2 3.16Å |
| 176 | L | 88.3 | Confident | 87.1 | Confident | 69 Ų | 69 | 69.7 Ų | 69.7 | 36% | 0.361 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -57.7 | -29 | 179 | -69.6 | 174.1 | 0 | 0 | 0 | 112.4 | L172 K173 T178 H179 T180 | L172-L176 HydrophobicContact CD1-CD2 4.41Å; L172-L176 HydrophobicContact CD1-CG 4.29Å; L172-L176 HydrophobicContact CG-CD1 4.38Å; L172-L176 HydrophobicContact CG-CG 4.42Å; L172-L176 WeakPolarHBondContact O-CG 3.35Å; L172-L176 PolarHBondContact O-N 2.72Å; K173-L176 PolarHBondContact O-N 3.44Å; L176-T178 PolarHBondContact O-N 2.92Å; L176-T178 VanDerWaalsContact O-N 3.16Å; L176-H179 WeakPolarHBondContact O-CB 3.44Å; L176-H179 PolarHBondContact O-N 2.95Å; L176-T180 PolarHBondContact O-N 3.18Å; L176-T180 VanDerWaalsContact O-N 3.12Å; L176-T180 PolarHBondContact O-OG1 2.87Å |
| 177 | R | 87.9 | Confident | 87.1 | Confident | 52 Ų | 52 | 67.7 Ų | 67.7 | 20% | 0.196 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.6 | -21.3 | 171.9 | -62.3 | 179.2 | 177.4 | 158.4 | -1.1 | 114.2 | A174 H175 H179 T180 G181 E182 A197 | A174-R177 WeakPolarHBondContact O-CB 3.43Å; H175-R177 PolarHBondContact O-N 2.91Å; H175-R177 VanDerWaalsContact O-N 3.1Å; R177-H179 VanDerWaalsContact C-N 3.28Å; R177-T180 WeakPolarHBondContact CA-OG1 3.49Å; R177-G181 WeakPolarHBondContact O-CA 3.08Å; R177-G181 PolarHBondContact O-N 3.1Å; R177-E182 HydrophobicContact CG-CB 4.43Å; R177-E182 PolarHBondContact O-N 3Å; R177-A197 HydrophobicContact CB-CB 4.18Å; R177-A197 VanDerWaalsContact CD-O 3.23Å; R177-A197 WeakPolarHBondContact CD-O 3.27Å; R177-A197 PolarHBondContact NH1-O 3.39Å |
| 178 | T | 86.2 | Confident | 87 | Confident | 91 Ų | 91 | 70.4 Ų | 70.4 | 56% | 0.558 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -75.6 | -20.3 | 173.7 | 71.2 | 0 | 0 | 0 | 0 | 112.7 | H175 L176 | H175-T178 PolarHBondContact CE1-OG1 3.47Å; H175-T178 PolarHBondContact ND1-OG1 3.39Å; H175-T178 VanDerWaalsContact ND1-OG1 3.13Å; H175-T178 WeakPolarHBondContact O-CB 3.48Å; H175-T178 WeakPolarHBondContact O-CG2 3.46Å; H175-T178 PolarHBondContact O-N 2.7Å; H175-T178 PolarHBondContact O-OG1 3.26Å; L176-T178 PolarHBondContact O-N 2.92Å; L176-T178 VanDerWaalsContact O-N 3.16Å |
| 179 | H | 86.7 | Confident | 86.8 | Confident | 50 Ų | 50 | 69.6 Ų | 69.6 | 23% | 0.231 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -89.4 | -42.4 | 174.9 | -68.5 | -65.4 | 0 | 0 | 0 | 111.5 | Y159 C162 H175 L176 R177 G181 | Y159-H179 HydrophobicContact CD1-CB 4.44Å; Y159-H179 AromaticContact CD1-CE1 3.5Å; Y159-H179 AromaticContact CD1-CG 3.82Å; Y159-H179 AromaticContact CD1-ND1 3.16Å; Y159-H179 WeakPolarHBondContact CD1-ND1 3.35Å; Y159-H179 HydrophobicContact CD2-CB 3.63Å; Y159-H179 AromaticContact CD2-CG 3.7Å; Y159-H179 AromaticContact CD2-ND1 3.92Å; Y159-H179 AromaticContact CE1-ND1 3.53Å; Y159-H179 HydrophobicContact CE2-CB 3.74Å; Y159-H179 HydrophobicContact CG-CB 3.99Å; Y159-H179 AromaticContact CG-CD2 3.94Å; Y159-H179 AromaticContact CG-CE1 3.72Å; Y159-H179 AromaticContact CG-CG 3.5Å; Y159-H179 AromaticContact CG-ND1 3.36Å; C162-H179 PolarHBondContact SG-NE2 3.36Å; C162-H179 VanDerWaalsContact SG-NE2 3.35Å; H175-H179 AromaticContact CE1-CD2 3.78Å; H175-H179 AromaticContact CE1-NE2 3.22Å; H175-H179 PolarHBondContact CE1-NE2 3.19Å; H175-H179 AromaticContact NE2-CD2 3.81Å; H175-H179 AromaticContact NE2-NE2 3.24Å; H175-H179 PolarHBondContact NE2-NE2 3.16Å; L176-H179 WeakPolarHBondContact O-CB 3.44Å; L176-H179 PolarHBondContact O-N 2.95Å; R177-H179 VanDerWaalsContact C-N 3.28Å; H179-G181 VanDerWaalsContact C-N 3.33Å |
| 180 | T | 85.2 | Confident | 86.7 | Confident | 88 Ų | 88 | 75 Ų | 75 | 54% | 0.54 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -79.8 | -16.8 | 179.6 | 60.8 | 0 | 0 | 0 | 0 | 113.3 | L176 R177 E182 | L176-T180 PolarHBondContact O-N 3.18Å; L176-T180 VanDerWaalsContact O-N 3.12Å; L176-T180 PolarHBondContact O-OG1 2.87Å; R177-T180 WeakPolarHBondContact CA-OG1 3.49Å; T180-E182 PolarHBondContact O-N 3.2Å; T180-E182 WeakPolarHBondContact OG1-CG 2.77Å |
| 181 | G | 85 | Confident | 86.7 | Confident | 52 Ų | 52 | 75.6 Ų | 75.6 | 54% | 0.536 | 40% | 0.4 | S | S | . | . | trans | 74 | 6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | R177 H179 R183 | R177-G181 WeakPolarHBondContact O-CA 3.08Å; R177-G181 PolarHBondContact O-N 3.1Å; H179-G181 VanDerWaalsContact C-N 3.33Å; G181-R183 PolarHBondContact O-N 3.36Å | ||
| 182 | E | 86.5 | Confident | 86.7 | Confident | 79 Ų | 79 | 71.6 Ų | 71.6 | 37% | 0.369 | 38% | 0.383 | S | S | . | . | trans | -63.6 | 129.4 | -179.2 | -73.7 | 178.5 | -176 | 0 | 0 | 112.3 | R177 T180 P184 | R177-E182 HydrophobicContact CG-CB 4.43Å; R177-E182 PolarHBondContact O-N 3Å; T180-E182 PolarHBondContact O-N 3.2Å; T180-E182 WeakPolarHBondContact OG1-CG 2.77Å; E182-P184 WeakPolarHBondContact O-CD 3.33Å | ||
| 183 | R | 85.9 | Confident | 86.5 | Confident | 160 Ų | 160 | 77.9 Ų | 77.9 | 60% | 0.604 | 42% | 0.417 | S | S | * | . | trans | -127.2 | 76 | 178.6 | -70.9 | 177.9 | 152.9 | 175.9 | -4.2 | 110.6 | G181 F185 K195 F196 | G181-R183 PolarHBondContact O-N 3.36Å; R183-F185 PolarHBondContact O-N 3.4Å; R183-K195 HydrophobicContact CB-CB 3.7Å; R183-K195 WeakPolarHBondContact CD-O 3.33Å; R183-K195 PolarHBondContact NE-O 3.32Å; R183-F196 CarbonylContact C-O 3.57Å; R183-F196 VanDerWaalsContact C-O 3.3Å; R183-F196 VanDerWaalsContact CA-O 3.27Å; R183-F196 WeakPolarHBondContact CA-O 3.01Å | ||
| 184 | P | 84.4 | Confident | 86.6 | Confident | 57 Ų | 57 | 76.6 Ų | 76.6 | 37% | 0.37 | 41% | 0.411 | S | S | . | . | trans | -71.7 | -12.1 | -173.8 | 27.5 | -33.8 | 0 | 0 | 0 | 113.7 | E182 | E182-P184 WeakPolarHBondContact O-CD 3.33Š| ||
| 185 | F | 85.7 | Confident | 86.7 | Confident | 18 Ų | 18 | 80.1 Ų | 80.1 | 8% | 0.079 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 109.8 | -176.6 | -56.2 | -73.7 | 0 | 0 | 0 | 110.5 | I100 R183 K195 F196 A197 L202 | I100-F185 HydrophobicContact CG2-CE1 3.8Å; R183-F185 PolarHBondContact O-N 3.4Å; F185-K195 CarbonylContact O-C 3.48Å; F185-K195 WeakPolarHBondContact O-CA 3.49Å; F185-F196 HydrophobicContact CB-CB 4.29Å; F185-F196 PolarHBondContact N-O 2.82Å; F185-F196 VanDerWaalsContact N-O 3.14Å; F185-F196 PolarHBondContact O-N 2.74Å; F185-A197 WeakPolarHBondContact CE2-O 3.3Å; F185-L202 HydrophobicContact CB-CB 4.09Å; F185-L202 HydrophobicContact CB-CD2 3.86Å |
| 186 | E | 87.1 | Confident | 86.7 | Confident | 88 Ų | 88 | 81.2 Ų | 81.2 | 41% | 0.411 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 149.5 | 179.2 | 61.8 | -166.5 | 176.7 | 0 | 0 | 112.6 | K195 L202 | E186-K195 HydrophobicContact CB-CD 4.3Å; E186-K195 HydrophobicContact CB-CG 4.01Å; E186-K195 IonicContact OE2-NZ 3.68Å; E186-K195 PolarHBondContact OE2-NZ 3.06Å; E186-L202 WeakPolarHBondContact O-CD1 3.21Å; E186-L202 WeakPolarHBondContact O-CD2 3.18Å |
| 187 | C | 89.5 | Confident | 86.6 | Confident | 8 Ų | 8 | 78.6 Ų | 78.6 | 5% | 0.054 | 42% | 0.415 | C | S | . | . | trans | -82.9 | 121.8 | 173 | -171.1 | 0 | 0 | 0 | 0 | 109.5 | W189 C192 K194 L202 | C187-W189 VanDerWaalsContact C-N 3.26Å; C187-W189 PolarHBondContact O-N 3.1Å; C187-W189 VanDerWaalsContact SG-CB 3.57Å; C187-C192 HydrophobicContact CB-CB 4.45Å; C187-K194 WeakPolarHBondContact CB-O 3.23Å; C187-K194 PolarHBondContact N-O 3.34Å; C187-L202 HydrophobicContact CB-CD1 4.03Å | ||
| 188 | N | 87.1 | Confident | 86.5 | Confident | 97 Ų | 97 | 80.2 Ų | 80.2 | 52% | 0.519 | 42% | 0.421 | S | S | . | . | trans | -90.6 | 13.9 | 178.2 | -63.1 | -22.9 | 0 | 0 | 0 | 112.7 | S99 Y206 | S99-N188 PolarHBondContact OG-ND2 2.99Å; N188-Y206 PolarHBondContact N-OH 2.9Å | ||
| 189 | W | 84.6 | Confident | 86.4 | Confident | 109 Ų | 109 | 78.2 Ų | 78.2 | 41% | 0.413 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -73.8 | 130.1 | 175.4 | -166 | -80.7 | 0 | 0 | 0 | 109.7 | C187 G191 C192 H209 | C187-W189 VanDerWaalsContact C-N 3.26Å; C187-W189 PolarHBondContact O-N 3.1Å; C187-W189 VanDerWaalsContact SG-CB 3.57Å; W189-G191 PolarHBondContact O-N 2.75Å; W189-C192 HydrophobicContact CB-CB 4.02Å; W189-C192 WeakPolarHBondContact O-CA 3.46Å; W189-C192 WeakPolarHBondContact O-CB 3.42Å; W189-C192 PolarHBondContact O-N 3.48Å; W189-H209 AromaticContact CD1-CE1 3.73Å; W189-H209 AromaticContact CD1-ND1 3.41Å; W189-H209 HydrophobicContact CD2-CB 3.58Å; W189-H209 AromaticContact CD2-CG 3.55Å; W189-H209 AromaticContact CD2-ND1 3.69Å; W189-H209 AromaticContact CE2-CG 3.99Å; W189-H209 AromaticContact CE2-ND1 3.85Å; W189-H209 HydrophobicContact CE3-CB 3.55Å; W189-H209 AromaticContact CE3-CG 3.9Å; W189-H209 HydrophobicContact CG-CB 4.21Å; W189-H209 AromaticContact CG-CE1 3.71Å; W189-H209 AromaticContact CG-CG 3.63Å; W189-H209 AromaticContact CG-ND1 3.42Å; W189-H209 HydrophobicContact CH2-CB 3.98Å; W189-H209 HydrophobicContact CZ2-CB 4.02Å; W189-H209 HydrophobicContact CZ3-CB 3.76Å; W189-H209 AromaticContact NE1-ND1 3.66Å |
| 190 | Q | 87.1 | Confident | 86.2 | Confident | 187 Ų | 187 | 79.5 Ų | 79.5 | 87% | 0.874 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 128.2 | -177.4 | -168.5 | 177.6 | 6.1 | 0 | 0 | 111.2 | C192 | Q190-C192 VanDerWaalsContact C-N 3.29Å; Q190-C192 PolarHBondContact O-N 3.04Å |
| 191 | G | 84.4 | Confident | 86.3 | Confident | 81 Ų | 81 | 77.2 Ų | 77.2 | 84% | 0.835 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | 4.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | W189 | W189-G191 PolarHBondContact O-N 2.75Š|
| 192 | C | 88.4 | Confident | 86.5 | Confident | 16 Ų | 16 | 74.8 Ų | 74.8 | 11% | 0.108 | 38% | 0.378 | C | S | . | . | trans | -111.4 | 118.4 | 172.5 | -161.9 | 0 | 0 | 0 | 0 | 111.4 | C187 W189 Q190 H205 | C187-C192 HydrophobicContact CB-CB 4.45Å; W189-C192 HydrophobicContact CB-CB 4.02Å; W189-C192 WeakPolarHBondContact O-CA 3.46Å; W189-C192 WeakPolarHBondContact O-CB 3.42Å; W189-C192 PolarHBondContact O-N 3.48Å; Q190-C192 VanDerWaalsContact C-N 3.29Å; Q190-C192 PolarHBondContact O-N 3.04Å; C192-H205 PolarHBondContact SG-NE2 3.43Å | ||
| 193 | N | 85.4 | Confident | 86.5 | Confident | 153 Ų | 153 | 72 Ų | 72 | 82% | 0.818 | 37% | 0.368 | S | S | * | . | trans | -106 | 25.7 | 178.5 | -68.6 | -40 | 0 | 0 | 0 | 112.9 | ||||
| 194 | K | 88.5 | Confident | 86.5 | Confident | 119 Ų | 119 | 68.4 Ų | 68.4 | 52% | 0.517 | 36% | 0.355 | S | S | . | . | trans | -80.2 | 133 | -174.7 | -70.4 | -177.5 | -179.7 | -177.7 | 0 | 111.6 | C187 F196 | C187-K194 WeakPolarHBondContact CB-O 3.23Å; C187-K194 PolarHBondContact N-O 3.34Å; K194-F196 HydrophobicContact CB-CE2 3.82Å; K194-F196 HydrophobicContact CB-CZ 3.91Å | ||
| 195 | K | 90.1 | Very high | 86.6 | Confident | 98 Ų | 98 | 66.4 Ų | 66.4 | 43% | 0.426 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 146.9 | 177.4 | -49.2 | -165 | -176.2 | -142.5 | 0 | 111.7 | R183 F185 E186 | R183-K195 HydrophobicContact CB-CB 3.7Å; R183-K195 WeakPolarHBondContact CD-O 3.33Å; R183-K195 PolarHBondContact NE-O 3.32Å; F185-K195 CarbonylContact O-C 3.48Å; F185-K195 WeakPolarHBondContact O-CA 3.49Å; E186-K195 HydrophobicContact CB-CD 4.3Å; E186-K195 HydrophobicContact CB-CG 4.01Å; E186-K195 IonicContact OE2-NZ 3.68Å; E186-K195 PolarHBondContact OE2-NZ 3.06Å |
| 196 | F | 86.8 | Confident | 86.6 | Confident | 34 Ų | 34 | 66.1 Ų | 66.1 | 15% | 0.149 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 150.4 | -172.2 | -58.5 | -85.9 | 0 | 0 | 0 | 111.4 | R183 F185 K194 E201 L202 H205 | R183-F196 CarbonylContact C-O 3.57Å; R183-F196 VanDerWaalsContact C-O 3.3Å; R183-F196 VanDerWaalsContact CA-O 3.27Å; R183-F196 WeakPolarHBondContact CA-O 3.01Å; F185-F196 HydrophobicContact CB-CB 4.29Å; F185-F196 PolarHBondContact N-O 2.82Å; F185-F196 VanDerWaalsContact N-O 3.14Å; F185-F196 PolarHBondContact O-N 2.74Å; K194-F196 HydrophobicContact CB-CE2 3.82Å; K194-F196 HydrophobicContact CB-CZ 3.91Å; F196-E201 HydrophobicContact CB-CB 3.97Å; F196-E201 HydrophobicContact CD1-CB 3.72Å; F196-E201 HydrophobicContact CG-CB 4.09Å; F196-L202 HydrophobicContact CB-CB 4.35Å; F196-L202 HydrophobicContact CD2-CB 3.96Å; F196-L202 HydrophobicContact CD2-CD1 3.75Å; F196-L202 HydrophobicContact CD2-CG 4.48Å; F196-L202 HydrophobicContact CE2-CD1 3.98Å; F196-L202 HydrophobicContact CG-CB 4.32Å; F196-H205 HydrophobicContact CE1-CB 3.98Å; F196-H205 HydrophobicContact CE2-CB 3.79Å; F196-H205 AromaticContact CE2-CD2 3.24Å; F196-H205 WeakPolarHBondContact CE2-CD2 3.44Å; F196-H205 AromaticContact CE2-CG 3.67Å; F196-H205 HydrophobicContact CZ-CB 3.36Å; F196-H205 AromaticContact CZ-CD2 3.34Å; F196-H205 WeakPolarHBondContact CZ-CD2 3.41Å; F196-H205 AromaticContact CZ-CG 3.29Å |
| 197 | A | 86.6 | Confident | 86.5 | Confident | 14 Ų | 14 | 65.1 Ų | 65.1 | 12% | 0.116 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -83.4 | -20.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R177 F185 E201 | R177-A197 HydrophobicContact CB-CB 4.18Å; R177-A197 VanDerWaalsContact CD-O 3.23Å; R177-A197 WeakPolarHBondContact CD-O 3.27Å; R177-A197 PolarHBondContact NH1-O 3.39Å; F185-A197 WeakPolarHBondContact CE2-O 3.3Å; A197-E201 PolarHBondContact N-OE2 3.45Å |
| 198 | R | 84.4 | Confident | 86.3 | Confident | 85 Ų | 85 | 68.4 Ų | 68.4 | 32% | 0.321 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -132.8 | 147.8 | -177.2 | -49.5 | -174.3 | -67.5 | 124.3 | 10 | 112 | A174 D200 E201 L202 | A174-R198 HydrophobicContact CB-CG 4.31Å; R198-D200 WeakPolarHBondContact CB-OD1 3.47Å; R198-D200 IonicContact CZ-OD1 2.89Å; R198-D200 IonicContact CZ-OD2 2.8Å; R198-D200 IonicContact NE-OD1 3.43Å; R198-D200 VanDerWaalsContact NH1-CG 3.3Å; R198-D200 IonicContact NH1-OD1 2.7Å; R198-D200 PolarHBondContact NH1-OD1 3.45Å; R198-D200 VanDerWaalsContact NH1-OD1 3.11Å; R198-D200 IonicContact NH1-OD2 3.88Å; R198-D200 PolarHBondContact NH1-OD2 3.17Å; R198-D200 IonicContact NH2-OD1 3.05Å; R198-D200 IonicContact NH2-OD2 3.4Å; R198-D200 PolarHBondContact NH2-OD2 2.88Å; R198-D200 VanDerWaalsContact NH2-OD2 3.1Å; R198-D200 PolarHBondContact O-N 3.16Å; R198-E201 HydrophobicContact CB-CG 4.08Å; R198-E201 IonicContact CZ-OE1 3.11Å; R198-E201 PolarHBondContact N-OE2 3.15Å; R198-E201 IonicContact NE-OE1 2.8Å; R198-E201 PolarHBondContact NE-OE1 3.31Å; R198-E201 VanDerWaalsContact NH2-CG 3.33Å; R198-E201 IonicContact NH2-OE1 3.8Å; R198-E201 PolarHBondContact NH2-OE1 3Å; R198-E201 WeakPolarHBondContact O-CB 3.4Å; R198-E201 PolarHBondContact O-N 3.03Å; R198-L202 PolarHBondContact O-N 2.9Å |
| 199 | S | 84.8 | Confident | 86.2 | Confident | 50 Ų | 50 | 66.2 Ų | 66.2 | 35% | 0.35 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68 | -33.4 | -178.7 | 55.9 | 0 | 0 | 0 | 0 | 112.7 | E201 L202 A203 | S199-E201 PolarHBondContact O-N 2.89Å; S199-L202 PolarHBondContact O-N 3.3Å; S199-A203 WeakPolarHBondContact O-CB 3.32Å; S199-A203 PolarHBondContact O-N 3.37Å |
| 200 | D | 83.7 | Confident | 86.1 | Confident | 77 Ų | 77 | 63.7 Ų | 63.7 | 41% | 0.412 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.7 | -29.2 | 174.8 | 64.7 | -56.7 | 0 | 0 | 0 | 112.4 | R198 R204 | R198-D200 WeakPolarHBondContact CB-OD1 3.47Å; R198-D200 IonicContact CZ-OD1 2.89Å; R198-D200 IonicContact CZ-OD2 2.8Å; R198-D200 IonicContact NE-OD1 3.43Å; R198-D200 VanDerWaalsContact NH1-CG 3.3Å; R198-D200 IonicContact NH1-OD1 2.7Å; R198-D200 PolarHBondContact NH1-OD1 3.45Å; R198-D200 VanDerWaalsContact NH1-OD1 3.11Å; R198-D200 IonicContact NH1-OD2 3.88Å; R198-D200 PolarHBondContact NH1-OD2 3.17Å; R198-D200 IonicContact NH2-OD1 3.05Å; R198-D200 IonicContact NH2-OD2 3.4Å; R198-D200 PolarHBondContact NH2-OD2 2.88Å; R198-D200 VanDerWaalsContact NH2-OD2 3.1Å; R198-D200 PolarHBondContact O-N 3.16Å; D200-R204 VanDerWaalsContact O-CB 3.3Å; D200-R204 WeakPolarHBondContact O-CB 3.45Å; D200-R204 PolarHBondContact O-N 3.38Å |
| 201 | E | 86.7 | Confident | 85.8 | Confident | 39 Ų | 39 | 57 Ų | 57 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -73.3 | -44.8 | 175.9 | -64.3 | 171.8 | 169.4 | 0 | 0 | 111.6 | F196 A197 R198 S199 A203 R204 H205 | F196-E201 HydrophobicContact CB-CB 3.97Å; F196-E201 HydrophobicContact CD1-CB 3.72Å; F196-E201 HydrophobicContact CG-CB 4.09Å; A197-E201 PolarHBondContact N-OE2 3.45Å; R198-E201 HydrophobicContact CB-CG 4.08Å; R198-E201 IonicContact CZ-OE1 3.11Å; R198-E201 PolarHBondContact N-OE2 3.15Å; R198-E201 IonicContact NE-OE1 2.8Å; R198-E201 PolarHBondContact NE-OE1 3.31Å; R198-E201 VanDerWaalsContact NH2-CG 3.33Å; R198-E201 IonicContact NH2-OE1 3.8Å; R198-E201 PolarHBondContact NH2-OE1 3Å; R198-E201 WeakPolarHBondContact O-CB 3.4Å; R198-E201 PolarHBondContact O-N 3.03Å; S199-E201 PolarHBondContact O-N 2.89Å; E201-A203 VanDerWaalsContact C-N 3.35Å; E201-R204 PolarHBondContact O-N 3.4Å; E201-H205 WeakPolarHBondContact O-CB 3.33Å; E201-H205 PolarHBondContact O-N 2.79Å |
| 202 | L | 88.9 | Confident | 85.5 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60 | -46.6 | 172.8 | 176.6 | 62.4 | 0 | 0 | 0 | 110.5 | F185 E186 C187 F196 R198 S199 R204 H205 Y206 | F185-L202 HydrophobicContact CB-CB 4.09Å; F185-L202 HydrophobicContact CB-CD2 3.86Å; E186-L202 WeakPolarHBondContact O-CD1 3.21Å; E186-L202 WeakPolarHBondContact O-CD2 3.18Å; C187-L202 HydrophobicContact CB-CD1 4.03Å; F196-L202 HydrophobicContact CB-CB 4.35Å; F196-L202 HydrophobicContact CD2-CB 3.96Å; F196-L202 HydrophobicContact CD2-CD1 3.75Å; F196-L202 HydrophobicContact CD2-CG 4.48Å; F196-L202 HydrophobicContact CE2-CD1 3.98Å; F196-L202 HydrophobicContact CG-CB 4.32Å; R198-L202 PolarHBondContact O-N 2.9Å; S199-L202 PolarHBondContact O-N 3.3Å; L202-R204 VanDerWaalsContact C-N 3.3Å; L202-R204 PolarHBondContact O-N 2.76Å; L202-H205 CarbonylContact O-C 3.3Å; L202-H205 WeakPolarHBondContact O-CA 3.32Å; L202-H205 WeakPolarHBondContact O-CB 3.48Å; L202-H205 PolarHBondContact O-N 3.29Å; L202-Y206 HydrophobicContact CD1-CD2 3.82Å; L202-Y206 HydrophobicContact CD1-CE2 3.43Å; L202-Y206 VanDerWaalsContact CD1-CE2 3.43Å; L202-Y206 HydrophobicContact CD2-CE2 3.98Å; L202-Y206 HydrophobicContact CG-CD2 3.82Å; L202-Y206 HydrophobicContact CG-CE2 3.56Å; L202-Y206 WeakPolarHBondContact O-CD2 3.43Å; L202-Y206 PolarHBondContact O-N 3.18Å |
| 203 | A | 86.2 | Confident | 85.2 | Confident | 19 Ų | 19 | 60.6 Ų | 60.6 | 16% | 0.157 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57 | -43.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I96 S199 E201 H205 | I96-A203 VanDerWaalsContact CD1-CA 3.49Å; I96-A203 HydrophobicContact CD1-CB 3.36Å; I96-A203 HydrophobicContact CG1-CB 4.49Å; S199-A203 WeakPolarHBondContact O-CB 3.32Å; S199-A203 PolarHBondContact O-N 3.37Å; E201-A203 VanDerWaalsContact C-N 3.35Å; A203-H205 VanDerWaalsContact C-N 3.34Å |
| 204 | R | 85.2 | Confident | 85.1 | Confident | 86 Ų | 86 | 58.3 Ų | 58.3 | 33% | 0.325 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.9 | -36.8 | 176.1 | 179.5 | -178.7 | 65.2 | 177.4 | -4.2 | 111.6 | D200 E201 L202 R207 R226 | D200-R204 VanDerWaalsContact O-CB 3.3Å; D200-R204 WeakPolarHBondContact O-CB 3.45Å; D200-R204 PolarHBondContact O-N 3.38Å; E201-R204 PolarHBondContact O-N 3.4Å; L202-R204 VanDerWaalsContact C-N 3.3Å; L202-R204 PolarHBondContact O-N 2.76Å; R204-R207 WeakPolarHBondContact O-CB 3.34Å; R204-R207 PolarHBondContact O-N 3.43Å; R204-R226 HydrophobicContact CG-CG 4.26Å |
| 205 | H | 88.3 | Confident | 85 | Confident | 14 Ų | 14 | 55.7 Ų | 55.7 | 7% | 0.065 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67 | -39.9 | 176.7 | 171.9 | 46.6 | 0 | 0 | 0 | 112.1 | C192 F196 E201 L202 A203 R207 T208 H209 | C192-H205 PolarHBondContact SG-NE2 3.43Å; F196-H205 HydrophobicContact CE1-CB 3.98Å; F196-H205 HydrophobicContact CE2-CB 3.79Å; F196-H205 AromaticContact CE2-CD2 3.24Å; F196-H205 WeakPolarHBondContact CE2-CD2 3.44Å; F196-H205 AromaticContact CE2-CG 3.67Å; F196-H205 HydrophobicContact CZ-CB 3.36Å; F196-H205 AromaticContact CZ-CD2 3.34Å; F196-H205 WeakPolarHBondContact CZ-CD2 3.41Å; F196-H205 AromaticContact CZ-CG 3.29Å; E201-H205 WeakPolarHBondContact O-CB 3.33Å; E201-H205 PolarHBondContact O-N 2.79Å; L202-H205 CarbonylContact O-C 3.3Å; L202-H205 WeakPolarHBondContact O-CA 3.32Å; L202-H205 WeakPolarHBondContact O-CB 3.48Å; L202-H205 PolarHBondContact O-N 3.29Å; A203-H205 VanDerWaalsContact C-N 3.34Å; H205-R207 PolarHBondContact O-N 3.22Å; H205-T208 PolarHBondContact ND1-OG1 2.8Å; H205-T208 VanDerWaalsContact ND1-OG1 3.16Å; H205-T208 WeakPolarHBondContact O-CB 3.39Å; H205-T208 PolarHBondContact O-N 3.2Å; H205-T208 PolarHBondContact O-OG1 3.26Å; H205-H209 AromaticContact CE1-CD2 3.97Å; H205-H209 AromaticContact CE1-NE2 3.23Å; H205-H209 PolarHBondContact CE1-NE2 2.9Å; H205-H209 AromaticContact NE2-NE2 3.25Å; H205-H209 PolarHBondContact NE2-NE2 3.34Å |
| 206 | Y | 85.3 | Confident | 85 | Confident | 12 Ų | 12 | 54.2 Ų | 54.2 | 5% | 0.047 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -53.8 | -32.4 | 176 | -90.1 | -72 | 0 | 0 | 0 | 113.6 | I96 N188 L202 T208 H209 T210 | I96-Y206 HydrophobicContact CG1-CD2 4.22Å; N188-Y206 PolarHBondContact N-OH 2.9Å; L202-Y206 HydrophobicContact CD1-CD2 3.82Å; L202-Y206 HydrophobicContact CD1-CE2 3.43Å; L202-Y206 VanDerWaalsContact CD1-CE2 3.43Å; L202-Y206 HydrophobicContact CD2-CE2 3.98Å; L202-Y206 HydrophobicContact CG-CD2 3.82Å; L202-Y206 HydrophobicContact CG-CE2 3.56Å; L202-Y206 WeakPolarHBondContact O-CD2 3.43Å; L202-Y206 PolarHBondContact O-N 3.18Å; Y206-T208 PolarHBondContact O-N 2.77Å; Y206-T208 VanDerWaalsContact O-N 3.17Å; Y206-H209 WeakPolarHBondContact O-CB 3.4Å; Y206-H209 PolarHBondContact O-N 3.11Å; Y206-T210 PolarHBondContact O-N 3.46Å |
| 207 | R | 85.3 | Confident | 85.1 | Confident | 68 Ų | 68 | 52.7 Ų | 52.7 | 26% | 0.257 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.9 | -21 | 175.2 | -58.8 | 178.7 | -174.3 | 175.3 | 2.4 | 113.9 | I92 R204 H205 H209 G211 M225 | I92-R207 HydrophobicContact CD1-CG 3.83Å; R204-R207 WeakPolarHBondContact O-CB 3.34Å; R204-R207 PolarHBondContact O-N 3.43Å; H205-R207 PolarHBondContact O-N 3.22Å; R207-H209 VanDerWaalsContact C-N 3.31Å; R207-G211 PolarHBondContact O-N 3.38Å; R207-M225 HydrophobicContact CB-CE 4.27Å; R207-M225 HydrophobicContact CB-CG 3.48Å; R207-M225 VanDerWaalsContact CB-CG 3.48Å; R207-M225 HydrophobicContact CB-SD 3.42Å; R207-M225 WeakPolarHBondContact CB-SD 3.24Å; R207-M225 HydrophobicContact CG-CG 4.41Å; R207-M225 PolarHBondContact NH1-O 3.47Å; R207-M225 VanDerWaalsContact O-SD 3.37Å |
| 208 | T | 85.1 | Confident | 85.1 | Confident | 76 Ų | 76 | 57.2 Ų | 57.2 | 47% | 0.466 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -74.3 | -24.8 | 174.5 | 66 | 0 | 0 | 0 | 0 | 112.3 | H205 Y206 M225 | H205-T208 PolarHBondContact ND1-OG1 2.8Å; H205-T208 VanDerWaalsContact ND1-OG1 3.16Å; H205-T208 WeakPolarHBondContact O-CB 3.39Å; H205-T208 PolarHBondContact O-N 3.2Å; H205-T208 PolarHBondContact O-OG1 3.26Å; Y206-T208 PolarHBondContact O-N 2.77Å; Y206-T208 VanDerWaalsContact O-N 3.17Å; T208-M225 HydrophobicContact CG2-CE 3.62Å; T208-M225 HydrophobicContact CG2-SD 3.81Å |
| 209 | H | 84.6 | Confident | 85.2 | Confident | 52 Ų | 52 | 56.8 Ų | 56.8 | 24% | 0.241 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -79.9 | -42.7 | 175.4 | -66.9 | -69 | 0 | 0 | 0 | 111.4 | W189 H205 Y206 R207 G211 | W189-H209 AromaticContact CD1-CE1 3.73Å; W189-H209 AromaticContact CD1-ND1 3.41Å; W189-H209 HydrophobicContact CD2-CB 3.58Å; W189-H209 AromaticContact CD2-CG 3.55Å; W189-H209 AromaticContact CD2-ND1 3.69Å; W189-H209 AromaticContact CE2-CG 3.99Å; W189-H209 AromaticContact CE2-ND1 3.85Å; W189-H209 HydrophobicContact CE3-CB 3.55Å; W189-H209 AromaticContact CE3-CG 3.9Å; W189-H209 HydrophobicContact CG-CB 4.21Å; W189-H209 AromaticContact CG-CE1 3.71Å; W189-H209 AromaticContact CG-CG 3.63Å; W189-H209 AromaticContact CG-ND1 3.42Å; W189-H209 HydrophobicContact CH2-CB 3.98Å; W189-H209 HydrophobicContact CZ2-CB 4.02Å; W189-H209 HydrophobicContact CZ3-CB 3.76Å; W189-H209 AromaticContact NE1-ND1 3.66Å; H205-H209 AromaticContact CE1-CD2 3.97Å; H205-H209 AromaticContact CE1-NE2 3.23Å; H205-H209 PolarHBondContact CE1-NE2 2.9Å; H205-H209 AromaticContact NE2-NE2 3.25Å; H205-H209 PolarHBondContact NE2-NE2 3.34Å; Y206-H209 WeakPolarHBondContact O-CB 3.4Å; Y206-H209 PolarHBondContact O-N 3.11Å; R207-H209 VanDerWaalsContact C-N 3.31Å; H209-G211 VanDerWaalsContact C-N 3.35Å |
| 210 | T | 82.3 | Confident | 85.4 | Confident | 56 Ų | 56 | 57.1 Ų | 57.1 | 34% | 0.344 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -80.3 | -16.7 | -178.9 | 62.7 | 0 | 0 | 0 | 0 | 113.6 | Y206 E212 | Y206-T210 PolarHBondContact O-N 3.46Å; T210-E212 PolarHBondContact O-N 3.4Å |
| 211 | G | 80.8 | Confident | 85.5 | Confident | 47 Ų | 47 | 61.2 Ų | 61.2 | 49% | 0.485 | 32% | 0.324 | S | S | . | . | trans | 68.6 | 11.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | R207 H209 K213 | R207-G211 PolarHBondContact O-N 3.38Å; H209-G211 VanDerWaalsContact C-N 3.35Å; G211-K213 PolarHBondContact O-N 3.02Å; G211-K213 VanDerWaalsContact O-N 3.17Å | ||
| 212 | E | 78.3 | Confident | 85.5 | Confident | 52 Ų | 52 | 65.5 Ų | 65.5 | 24% | 0.243 | 34% | 0.342 | C | S | . | . | trans | -65.5 | 114.4 | -175.5 | -73.4 | -172.3 | 179.5 | 0 | 0 | 112.8 | I92 T210 K214 M225 | I92-E212 WeakPolarHBondContact CD1-OE2 3.43Å; T210-E212 PolarHBondContact O-N 3.4Å; E212-K214 WeakPolarHBondContact OE2-CE 3.5Å; E212-K214 IonicContact OE2-NZ 3.39Å; E212-K214 PolarHBondContact OE2-NZ 3.3Å; E212-M225 WeakPolarHBondContact O-CG 3.4Å | ||
| 213 | K | 82.2 | Confident | 85.6 | Confident | 119 Ų | 119 | 72.8 Ų | 72.8 | 52% | 0.517 | 37% | 0.37 | S | S | . | . | trans | -106.4 | 86.2 | 175.6 | -63 | 173.1 | -176.8 | 173.6 | 0 | 111 | G211 R223 F224 | G211-K213 PolarHBondContact O-N 3.02Å; G211-K213 VanDerWaalsContact O-N 3.17Å; K213-R223 HydrophobicContact CB-CB 3.62Å; K213-R223 HydrophobicContact CD-CB 4.1Å; K213-R223 HydrophobicContact CG-CB 4.46Å; K213-R223 PolarHBondContact O-NE 3.44Å; K213-R223 PolarHBondContact O-NH2 3.49Å; K213-F224 CarbonylContact C-O 3.51Å; K213-F224 WeakPolarHBondContact CA-O 3.3Å | ||
| 214 | K | 83.8 | Confident | 85.6 | Confident | 106 Ų | 106 | 73.5 Ų | 73.5 | 46% | 0.461 | 37% | 0.369 | S | S | . | . | trans | -76 | -20.5 | -176.5 | -58.8 | -168 | -176.9 | -169.6 | 0 | 114.3 | E212 F224 | E212-K214 WeakPolarHBondContact OE2-CE 3.5Å; E212-K214 IonicContact OE2-NZ 3.39Å; E212-K214 PolarHBondContact OE2-NZ 3.3Å; K214-F224 PolarHBondContact N-O 2.97Å | ||
| 215 | F | 85.6 | Confident | 85.6 | Confident | 64 Ų | 64 | 71.2 Ų | 71.2 | 28% | 0.281 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 107.6 | -170.5 | -58.4 | -80.1 | 0 | 0 | 0 | 110.9 | R223 F224 R226 L230 | F215-R223 CarbonylContact O-C 3.56Å; F215-R223 WeakPolarHBondContact O-CA 3.3Å; F215-F224 HydrophobicContact CB-CB 4.28Å; F215-F224 WeakPolarHBondContact CB-O 3.47Å; F215-F224 PolarHBondContact N-O 3.22Å; F215-F224 PolarHBondContact O-N 3Å; F215-R226 VanDerWaalsContact CD2-C 3.44Å; F215-L230 HydrophobicContact CB-CB 4.19Å; F215-L230 HydrophobicContact CB-CD2 3.92Å |
| 216 | S | 90.2 | Very high | 85.4 | Confident | 67 Ų | 67 | 73 Ų | 73 | 47% | 0.469 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 144.6 | 174.1 | 52 | 0 | 0 | 0 | 0 | 111.8 | L230 | S216-L230 WeakPolarHBondContact O-CD2 3.47Å |
| 217 | C | 89.4 | Confident | 85.6 | Confident | 1 Ų | 1 | 75.4 Ų | 75.4 | 1% | 0.007 | 39% | 0.388 | C | S | . | . | trans | -76.5 | 126.4 | 167.4 | -174.7 | 0 | 0 | 0 | 0 | 109.5 | L219 E221 K222 F224 L230 H233 | C217-L219 PolarHBondContact O-N 3.35Å; C217-E221 WeakPolarHBondContact O-CA 3.19Å; C217-E221 PolarHBondContact O-N 3.34Å; C217-K222 PolarHBondContact N-O 3.23Å; C217-F224 HydrophobicContact CB-CE2 4.26Å; C217-L230 HydrophobicContact CB-CD1 3.79Å; C217-H233 VanDerWaalsContact SG-CD2 3.53Å; C217-H233 PolarHBondContact SG-NE2 3.14Å; C217-H233 VanDerWaalsContact SG-NE2 3.42Å | ||
| 218 | P | 85.5 | Confident | 85.7 | Confident | 110 Ų | 110 | 74.6 Ų | 74.6 | 71% | 0.714 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -15 | 178.6 | 28.6 | -34.6 | 0 | 0 | 0 | 113.4 | ||
| 219 | L | 86.7 | Confident | 85.9 | Confident | 76 Ų | 76 | 74.4 Ų | 74.4 | 40% | 0.398 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -28.4 | -174.8 | -61.5 | 174.3 | 0 | 0 | 0 | 113.6 | C217 H237 M244 L245 | C217-L219 PolarHBondContact O-N 3.35Å; L219-H237 HydrophobicContact CD1-CB 3.37Å; L219-M244 HydrophobicContact CD2-CB 4.31Å; L219-L245 HydrophobicContact CD1-CD2 4.43Å |
| 220 | C | 89.8 | Confident | 86.3 | Confident | 57 Ų | 57 | 73.3 Ų | 73.3 | 39% | 0.385 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.5 | 12.7 | -179.1 | 70.6 | 0 | 0 | 0 | 0 | 113.3 | K222 H233 H237 | C220-K222 PolarHBondContact O-N 3.25Å; C220-H233 PolarHBondContact SG-NE2 2.72Å; C220-H237 PolarHBondContact SG-NE2 3.35Å |
| 221 | E | 85.9 | Confident | 86.7 | Confident | 162 Ų | 162 | 74 Ų | 74 | 76% | 0.757 | 38% | 0.382 | S | S | * | . | trans | 59.1 | 0.9 | 175.4 | -57.3 | -173.6 | 167.8 | 0 | 0 | 116.2 | C217 R223 | C217-E221 WeakPolarHBondContact O-CA 3.19Å; C217-E221 PolarHBondContact O-N 3.34Å; E221-R223 WeakPolarHBondContact O-CG 3.5Å; E221-R223 PolarHBondContact O-N 3.34Å | ||
| 222 | K | 87.3 | Confident | 87.1 | Confident | 130 Ų | 130 | 78.4 Ų | 78.4 | 57% | 0.565 | 39% | 0.388 | S | S | * | . | trans | -59.2 | 128.6 | 179.2 | -163.6 | 163.5 | -171.8 | 164.9 | 0 | 110.4 | C217 C220 F224 | C217-K222 PolarHBondContact N-O 3.23Å; C220-K222 PolarHBondContact O-N 3.25Å; K222-F224 HydrophobicContact CB-CE2 4.07Å; K222-F224 HydrophobicContact CB-CZ 4.21Å; K222-F224 HydrophobicContact CD-CZ 4.19Å; K222-F224 HydrophobicContact CG-CE2 4.21Å; K222-F224 HydrophobicContact CG-CZ 3.97Å; K222-F224 WeakPolarHBondContact O-CD2 3.28Å; K222-F224 WeakPolarHBondContact O-CE2 3.32Å | ||
| 223 | R | 89.1 | Confident | 87.7 | Confident | 154 Ų | 154 | 77.5 Ų | 77.5 | 58% | 0.581 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 140.3 | -175.8 | -52.7 | -177.3 | 69.3 | 134.7 | -1.6 | 111.9 | K213 F215 E221 | K213-R223 HydrophobicContact CB-CB 3.62Å; K213-R223 HydrophobicContact CD-CB 4.1Å; K213-R223 HydrophobicContact CG-CB 4.46Å; K213-R223 PolarHBondContact O-NE 3.44Å; K213-R223 PolarHBondContact O-NH2 3.49Å; F215-R223 CarbonylContact O-C 3.56Å; F215-R223 WeakPolarHBondContact O-CA 3.3Å; E221-R223 WeakPolarHBondContact O-CG 3.5Å; E221-R223 PolarHBondContact O-N 3.34Å |
| 224 | F | 86.2 | Confident | 87.9 | Confident | 34 Ų | 34 | 72.5 Ų | 72.5 | 15% | 0.149 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 146.9 | -178 | -58.4 | -88 | 0 | 0 | 0 | 110 | K213 K214 F215 C217 K222 R226 H229 L230 H233 | K213-F224 CarbonylContact C-O 3.51Å; K213-F224 WeakPolarHBondContact CA-O 3.3Å; K214-F224 PolarHBondContact N-O 2.97Å; F215-F224 HydrophobicContact CB-CB 4.28Å; F215-F224 WeakPolarHBondContact CB-O 3.47Å; F215-F224 PolarHBondContact N-O 3.22Å; F215-F224 PolarHBondContact O-N 3Å; C217-F224 HydrophobicContact CB-CE2 4.26Å; K222-F224 HydrophobicContact CB-CE2 4.07Å; K222-F224 HydrophobicContact CB-CZ 4.21Å; K222-F224 HydrophobicContact CD-CZ 4.19Å; K222-F224 HydrophobicContact CG-CE2 4.21Å; K222-F224 HydrophobicContact CG-CZ 3.97Å; K222-F224 WeakPolarHBondContact O-CD2 3.28Å; K222-F224 WeakPolarHBondContact O-CE2 3.32Å; F224-R226 VanDerWaalsContact C-N 3.27Å; F224-H229 HydrophobicContact CB-CB 4.37Å; F224-H229 HydrophobicContact CD1-CB 3.93Å; F224-H229 HydrophobicContact CG-CB 4.42Å; F224-L230 HydrophobicContact CB-CB 4.35Å; F224-L230 HydrophobicContact CD2-CB 3.9Å; F224-L230 HydrophobicContact CD2-CD1 3.91Å; F224-L230 HydrophobicContact CE2-CD1 4.02Å; F224-L230 HydrophobicContact CG-CB 4.24Å; F224-H233 HydrophobicContact CE1-CB 3.99Å; F224-H233 HydrophobicContact CE2-CB 4.04Å; F224-H233 AromaticContact CE2-CD2 3.51Å; F224-H233 AromaticContact CE2-CG 3.74Å; F224-H233 HydrophobicContact CZ-CB 3.5Å; F224-H233 VanDerWaalsContact CZ-CB 3.5Å; F224-H233 AromaticContact CZ-CD2 3.49Å; F224-H233 VanDerWaalsContact CZ-CD2 3.49Å; F224-H233 WeakPolarHBondContact CZ-CD2 3.44Å; F224-H233 AromaticContact CZ-CG 3.24Å; F224-H233 AromaticContact CZ-ND1 3.65Å; F224-H233 AromaticContact CZ-NE2 4Å |
| 225 | M | 86 | Confident | 88.1 | Confident | 39 Ų | 39 | 75.1 Ų | 75.1 | 19% | 0.192 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -76.1 | -18.1 | 174.2 | -169.4 | -178.5 | 78.2 | 0 | 0 | 112.4 | R207 T208 E212 | R207-M225 HydrophobicContact CB-CE 4.27Å; R207-M225 HydrophobicContact CB-CG 3.48Å; R207-M225 VanDerWaalsContact CB-CG 3.48Å; R207-M225 HydrophobicContact CB-SD 3.42Å; R207-M225 WeakPolarHBondContact CB-SD 3.24Å; R207-M225 HydrophobicContact CG-CG 4.41Å; R207-M225 PolarHBondContact NH1-O 3.47Å; R207-M225 VanDerWaalsContact O-SD 3.37Å; T208-M225 HydrophobicContact CG2-CE 3.62Å; T208-M225 HydrophobicContact CG2-SD 3.81Å; E212-M225 WeakPolarHBondContact O-CG 3.4Å |
| 226 | R | 85.2 | Confident | 88.1 | Confident | 50 Ų | 50 | 80 Ų | 80 | 19% | 0.189 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -136.6 | 142.9 | -173.3 | -63 | 166.1 | 50.4 | 173.9 | 2.9 | 112.3 | R204 F215 F224 D228 H229 L230 | R204-R226 HydrophobicContact CG-CG 4.26Å; F215-R226 VanDerWaalsContact CD2-C 3.44Å; F224-R226 VanDerWaalsContact C-N 3.27Å; R226-D228 VanDerWaalsContact CB-OD1 3.23Å; R226-D228 WeakPolarHBondContact CB-OD1 3.39Å; R226-D228 IonicContact CZ-OD1 3.2Å; R226-D228 IonicContact CZ-OD2 3.18Å; R226-D228 IonicContact NE-OD1 2.77Å; R226-D228 PolarHBondContact NE-OD1 3.24Å; R226-D228 IonicContact NE-OD2 3.1Å; R226-D228 IonicContact NH2-OD1 2.75Å; R226-D228 PolarHBondContact NH2-OD1 3.37Å; R226-D228 VanDerWaalsContact NH2-OD1 3.1Å; R226-D228 IonicContact NH2-OD2 2.8Å; R226-D228 PolarHBondContact NH2-OD2 3.22Å; R226-H229 HydrophobicContact CB-CB 4.33Å; R226-H229 VanDerWaalsContact CD-NE2 3.33Å; R226-H229 WeakPolarHBondContact CD-NE2 3.46Å; R226-H229 PolarHBondContact NE-NE2 3.13Å; R226-H229 PolarHBondContact NH1-CE1 3.3Å; R226-H229 PolarHBondContact NH1-NE2 3.26Å; R226-H229 VanDerWaalsContact NH1-NE2 3.2Å; R226-H229 PolarHBondContact O-N 3.43Å; R226-L230 PolarHBondContact O-N 3.38Å; R226-L230 VanDerWaalsContact O-N 3.15Å |
| 227 | S | 87.9 | Confident | 87.7 | Confident | 63 Ų | 63 | 78.9 Ų | 78.9 | 44% | 0.441 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68 | -34.1 | 178.5 | 56 | 0 | 0 | 0 | 0 | 113.1 | H229 L230 T231 | S227-H229 VanDerWaalsContact C-N 3.33Å; S227-L230 PolarHBondContact O-N 2.89Å; S227-T231 WeakPolarHBondContact O-CB 3.23Å; S227-T231 PolarHBondContact O-N 3.41Å; S227-T231 PolarHBondContact O-OG1 3.37Å |
| 228 | D | 87.8 | Confident | 87 | Confident | 52 Ų | 52 | 80.1 Ų | 80.1 | 28% | 0.278 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -69.5 | -33.6 | 177.7 | 69.2 | -65.8 | 0 | 0 | 0 | 111.7 | R226 T231 K232 | R226-D228 VanDerWaalsContact CB-OD1 3.23Å; R226-D228 WeakPolarHBondContact CB-OD1 3.39Å; R226-D228 IonicContact CZ-OD1 3.2Å; R226-D228 IonicContact CZ-OD2 3.18Å; R226-D228 IonicContact NE-OD1 2.77Å; R226-D228 PolarHBondContact NE-OD1 3.24Å; R226-D228 IonicContact NE-OD2 3.1Å; R226-D228 IonicContact NH2-OD1 2.75Å; R226-D228 PolarHBondContact NH2-OD1 3.37Å; R226-D228 VanDerWaalsContact NH2-OD1 3.1Å; R226-D228 IonicContact NH2-OD2 2.8Å; R226-D228 PolarHBondContact NH2-OD2 3.22Å; D228-T231 PolarHBondContact O-N 2.86Å; D228-K232 WeakPolarHBondContact O-CG 3.38Å; D228-K232 PolarHBondContact O-N 2.81Å |
| 229 | H | 90.1 | Very high | 86.3 | Confident | 71 Ų | 71 | 81.3 Ų | 81.3 | 33% | 0.329 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.9 | -45 | 171.6 | -66 | -20 | 0 | 0 | 0 | 111.6 | F224 R226 S227 T231 K232 H233 | F224-H229 HydrophobicContact CB-CB 4.37Å; F224-H229 HydrophobicContact CD1-CB 3.93Å; F224-H229 HydrophobicContact CG-CB 4.42Å; R226-H229 HydrophobicContact CB-CB 4.33Å; R226-H229 VanDerWaalsContact CD-NE2 3.33Å; R226-H229 WeakPolarHBondContact CD-NE2 3.46Å; R226-H229 PolarHBondContact NE-NE2 3.13Å; R226-H229 PolarHBondContact NH1-CE1 3.3Å; R226-H229 PolarHBondContact NH1-NE2 3.26Å; R226-H229 VanDerWaalsContact NH1-NE2 3.2Å; R226-H229 PolarHBondContact O-N 3.43Å; S227-H229 VanDerWaalsContact C-N 3.33Å; H229-T231 VanDerWaalsContact C-N 3.3Å; H229-T231 PolarHBondContact O-N 3.03Å; H229-K232 PolarHBondContact O-N 3.1Å; H229-H233 VanDerWaalsContact O-CB 3.27Å; H229-H233 WeakPolarHBondContact O-CB 3.27Å; H229-H233 PolarHBondContact O-N 3.48Å |
| 230 | L | 92.4 | Very high | 85.4 | Confident | 30 Ų | 30 | 85.4 Ų | 85.4 | 16% | 0.157 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -57.7 | -44.7 | 171.3 | 170.1 | 61.7 | 0 | 0 | 0 | 111.1 | F215 S216 C217 F224 R226 S227 H233 A234 | F215-L230 HydrophobicContact CB-CB 4.19Å; F215-L230 HydrophobicContact CB-CD2 3.92Å; S216-L230 WeakPolarHBondContact O-CD2 3.47Å; C217-L230 HydrophobicContact CB-CD1 3.79Å; F224-L230 HydrophobicContact CB-CB 4.35Å; F224-L230 HydrophobicContact CD2-CB 3.9Å; F224-L230 HydrophobicContact CD2-CD1 3.91Å; F224-L230 HydrophobicContact CE2-CD1 4.02Å; F224-L230 HydrophobicContact CG-CB 4.24Å; R226-L230 PolarHBondContact O-N 3.38Å; R226-L230 VanDerWaalsContact O-N 3.15Å; S227-L230 PolarHBondContact O-N 2.89Å; L230-H233 CarbonylContact O-C 3.59Å; L230-H233 WeakPolarHBondContact O-CB 3.5Å; L230-H233 PolarHBondContact O-N 3.32Å; L230-A234 VanDerWaalsContact O-CB 3.29Å; L230-A234 WeakPolarHBondContact O-CB 3.33Å; L230-A234 PolarHBondContact O-N 3.48Å |
| 231 | T | 89.9 | Confident | 84.1 | Confident | 69 Ų | 69 | 87.5 Ų | 87.5 | 42% | 0.423 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.9 | -46.5 | -178.8 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | S227 D228 H229 H233 A234 R235 | S227-T231 WeakPolarHBondContact O-CB 3.23Å; S227-T231 PolarHBondContact O-N 3.41Å; S227-T231 PolarHBondContact O-OG1 3.37Å; D228-T231 PolarHBondContact O-N 2.86Å; H229-T231 VanDerWaalsContact C-N 3.3Å; H229-T231 PolarHBondContact O-N 3.03Å; T231-H233 VanDerWaalsContact C-N 3.3Å; T231-H233 PolarHBondContact O-N 2.86Å; T231-A234 PolarHBondContact O-N 3.25Å; T231-R235 WeakPolarHBondContact O-CG 3.49Å; T231-R235 PolarHBondContact O-N 3.5Å |
| 232 | K | 89.5 | Confident | 82.7 | Confident | 140 Ų | 140 | 85.4 Ų | 85.4 | 61% | 0.609 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -61 | -40.8 | 175 | -72.8 | 178 | -177.1 | -174.2 | 0 | 111.7 | D228 H229 R236 | D228-K232 WeakPolarHBondContact O-CG 3.38Å; D228-K232 PolarHBondContact O-N 2.81Å; H229-K232 PolarHBondContact O-N 3.1Å; K232-R236 PolarHBondContact O-N 3.06Å |
| 233 | H | 90.4 | Very high | 81.2 | Confident | 34 Ų | 34 | 83.1 Ų | 83.1 | 16% | 0.157 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 175.6 | 171 | 77.1 | 0 | 0 | 0 | 112.3 | C217 C220 F224 H229 L230 T231 R235 R236 H237 | C217-H233 VanDerWaalsContact SG-CD2 3.53Å; C217-H233 PolarHBondContact SG-NE2 3.14Å; C217-H233 VanDerWaalsContact SG-NE2 3.42Å; C220-H233 PolarHBondContact SG-NE2 2.72Å; F224-H233 HydrophobicContact CE1-CB 3.99Å; F224-H233 HydrophobicContact CE2-CB 4.04Å; F224-H233 AromaticContact CE2-CD2 3.51Å; F224-H233 AromaticContact CE2-CG 3.74Å; F224-H233 HydrophobicContact CZ-CB 3.5Å; F224-H233 VanDerWaalsContact CZ-CB 3.5Å; F224-H233 AromaticContact CZ-CD2 3.49Å; F224-H233 VanDerWaalsContact CZ-CD2 3.49Å; F224-H233 WeakPolarHBondContact CZ-CD2 3.44Å; F224-H233 AromaticContact CZ-CG 3.24Å; F224-H233 AromaticContact CZ-ND1 3.65Å; F224-H233 AromaticContact CZ-NE2 4Å; H229-H233 VanDerWaalsContact O-CB 3.27Å; H229-H233 WeakPolarHBondContact O-CB 3.27Å; H229-H233 PolarHBondContact O-N 3.48Å; L230-H233 CarbonylContact O-C 3.59Å; L230-H233 WeakPolarHBondContact O-CB 3.5Å; L230-H233 PolarHBondContact O-N 3.32Å; T231-H233 VanDerWaalsContact C-N 3.3Å; T231-H233 PolarHBondContact O-N 2.86Å; H233-R235 VanDerWaalsContact C-N 3.28Å; H233-R235 PolarHBondContact O-N 3.33Å; H233-R236 VanDerWaalsContact O-CB 3.25Å; H233-R236 WeakPolarHBondContact O-CB 3.46Å; H233-R236 PolarHBondContact O-N 3.29Å; H233-H237 AromaticContact CD2-CD2 3.91Å; H233-H237 AromaticContact CD2-NE2 3.87Å; H233-H237 AromaticContact CE1-NE2 3.39Å; H233-H237 PolarHBondContact CE1-NE2 3.2Å; H233-H237 AromaticContact NE2-CD2 3.5Å; H233-H237 AromaticContact NE2-NE2 2.99Å; H233-H237 PolarHBondContact NE2-NE2 2.77Å; H233-H237 PolarHBondContact O-N 2.98Å |
| 234 | A | 87.6 | Confident | 79.6 | Confident | 14 Ų | 14 | 81.3 Ų | 81.3 | 12% | 0.116 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.9 | -32.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L230 T231 R236 H237 A238 L245 | L230-A234 VanDerWaalsContact O-CB 3.29Å; L230-A234 WeakPolarHBondContact O-CB 3.33Å; L230-A234 PolarHBondContact O-N 3.48Å; T231-A234 PolarHBondContact O-N 3.25Å; A234-R236 VanDerWaalsContact C-N 3.26Å; A234-R236 PolarHBondContact O-N 2.91Å; A234-H237 WeakPolarHBondContact O-CB 3.33Å; A234-H237 PolarHBondContact O-N 2.87Å; A234-H237 VanDerWaalsContact O-N 3.15Å; A234-A238 PolarHBondContact O-N 3.12Å; A234-L245 HydrophobicContact CB-CD2 4.32Å |
| 235 | R | 87.6 | Confident | 78.1 | Confident | 161 Ų | 161 | 84.3 Ų | 84.3 | 61% | 0.608 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.3 | -34.7 | 171.1 | -73.1 | 176.9 | -170.8 | -171.2 | 1 | 112.6 | T231 H233 H237 A238 N239 | T231-R235 WeakPolarHBondContact O-CG 3.49Å; T231-R235 PolarHBondContact O-N 3.5Å; H233-R235 VanDerWaalsContact C-N 3.28Å; H233-R235 PolarHBondContact O-N 3.33Å; R235-H237 VanDerWaalsContact C-N 3.3Å; R235-H237 PolarHBondContact O-N 3.29Å; R235-A238 WeakPolarHBondContact O-CB 3.16Å; R235-A238 PolarHBondContact O-N 2.94Å; R235-A238 VanDerWaalsContact O-N 3.15Å; R235-N239 PolarHBondContact O-N 2.96Å; R235-N239 VanDerWaalsContact O-N 3.12Å; R235-N239 PolarHBondContact O-OD1 3.31Å |
| 236 | R | 85.1 | Confident | 76.4 | Confident | 166 Ų | 166 | 91 Ų | 91 | 63% | 0.626 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62 | -42.6 | 174.5 | -173.8 | 177 | -67.1 | 177.2 | -2.9 | 110.4 | K232 H233 A234 A238 N239 F240 | K232-R236 PolarHBondContact O-N 3.06Å; H233-R236 VanDerWaalsContact O-CB 3.25Å; H233-R236 WeakPolarHBondContact O-CB 3.46Å; H233-R236 PolarHBondContact O-N 3.29Å; A234-R236 VanDerWaalsContact C-N 3.26Å; A234-R236 PolarHBondContact O-N 2.91Å; R236-A238 VanDerWaalsContact C-N 3.32Å; R236-A238 PolarHBondContact O-N 3.16Å; R236-N239 WeakPolarHBondContact O-CB 3.37Å; R236-N239 PolarHBondContact O-N 3.46Å; R236-F240 HydrophobicContact CG-CD2 3.98Å; R236-F240 HydrophobicContact CG-CE2 3.63Å; R236-F240 WeakPolarHBondContact O-CD2 3.44Å; R236-F240 PolarHBondContact O-N 2.8Å |
| 237 | H | 82.8 | Confident | 74.5 | Confident | 43 Ų | 43 | 98.4 Ų | 98.4 | 20% | 0.199 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -63.1 | -36.1 | 173.2 | -69.3 | -64.5 | 0 | 0 | 0 | 112.9 | L219 C220 H233 A234 R235 N239 F240 H241 | L219-H237 HydrophobicContact CD1-CB 3.37Å; C220-H237 PolarHBondContact SG-NE2 3.35Å; H233-H237 AromaticContact CD2-CD2 3.91Å; H233-H237 AromaticContact CD2-NE2 3.87Å; H233-H237 AromaticContact CE1-NE2 3.39Å; H233-H237 PolarHBondContact CE1-NE2 3.2Å; H233-H237 AromaticContact NE2-CD2 3.5Å; H233-H237 AromaticContact NE2-NE2 2.99Å; H233-H237 PolarHBondContact NE2-NE2 2.77Å; H233-H237 PolarHBondContact O-N 2.98Å; A234-H237 WeakPolarHBondContact O-CB 3.33Å; A234-H237 PolarHBondContact O-N 2.87Å; A234-H237 VanDerWaalsContact O-N 3.15Å; R235-H237 VanDerWaalsContact C-N 3.3Å; R235-H237 PolarHBondContact O-N 3.29Å; H237-N239 PolarHBondContact O-N 3.4Å; H237-F240 CarbonylContact O-C 3.48Å; H237-F240 PolarHBondContact O-N 3.35Å; H237-F240 VanDerWaalsContact O-N 3.09Å; H237-H241 WeakPolarHBondContact O-CA 3.48Å; H237-H241 WeakPolarHBondContact O-CB 3.38Å; H237-H241 PolarHBondContact O-N 3.26Å |
| 238 | A | 74.2 | Confident | 72.2 | Confident | 27 Ų | 27 | 106.8 Ų | 106.8 | 22% | 0.223 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -62 | -33.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A234 R235 R236 F240 H241 P242 L245 | A234-A238 PolarHBondContact O-N 3.12Å; R235-A238 WeakPolarHBondContact O-CB 3.16Å; R235-A238 PolarHBondContact O-N 2.94Å; R235-A238 VanDerWaalsContact O-N 3.15Å; R236-A238 VanDerWaalsContact C-N 3.32Å; R236-A238 PolarHBondContact O-N 3.16Å; A238-F240 VanDerWaalsContact C-N 3.27Å; A238-F240 PolarHBondContact O-N 3.49Å; A238-H241 CarbonylContact O-C 3.45Å; A238-P242 VanDerWaalsContact O-CA 3.22Å; A238-P242 WeakPolarHBondContact O-CA 3.48Å; A238-L245 HydrophobicContact CB-CD1 3.62Å; A238-L245 HydrophobicContact CB-CG 4.31Å |
| 239 | N | 71.3 | Confident | 70.3 | Confident | 135 Ų | 135 | 109.7 Ų | 109.7 | 72% | 0.722 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -71.5 | -24 | 176.2 | -60.8 | -15.7 | 0 | 0 | 0 | 112.5 | R235 R236 H237 | R235-N239 PolarHBondContact O-N 2.96Å; R235-N239 VanDerWaalsContact O-N 3.12Å; R235-N239 PolarHBondContact O-OD1 3.31Å; R236-N239 WeakPolarHBondContact O-CB 3.37Å; R236-N239 PolarHBondContact O-N 3.46Å; H237-N239 PolarHBondContact O-N 3.4Å |
| 240 | F | 67.2 | Low | 67.8 | Low | 163 Ų | 163 | 108.7 Ų | 108.7 | 72% | 0.715 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -99.2 | -20.5 | 176.2 | -68.5 | -70.5 | 0 | 0 | 0 | 113.3 | R236 H237 A238 | R236-F240 HydrophobicContact CG-CD2 3.98Å; R236-F240 HydrophobicContact CG-CE2 3.63Å; R236-F240 WeakPolarHBondContact O-CD2 3.44Å; R236-F240 PolarHBondContact O-N 2.8Å; H237-F240 CarbonylContact O-C 3.48Å; H237-F240 PolarHBondContact O-N 3.35Å; H237-F240 VanDerWaalsContact O-N 3.09Å; A238-F240 VanDerWaalsContact C-N 3.27Å; A238-F240 PolarHBondContact O-N 3.49Å |
| 241 | H | 61.8 | Low | 65.3 | Low | 100 Ų | 100 | 112.8 Ų | 112.8 | 46% | 0.463 | 57% | 0.565 | S | S | . | * | trans | -148.4 | 77 | -174.2 | -145 | -88.4 | 0 | 0 | 0 | 109.9 | H237 A238 S243 M244 | H237-H241 WeakPolarHBondContact O-CA 3.48Å; H237-H241 WeakPolarHBondContact O-CB 3.38Å; H237-H241 PolarHBondContact O-N 3.26Å; A238-H241 CarbonylContact O-C 3.45Å; H241-S243 PolarHBondContact O-N 3.42Å; H241-M244 WeakPolarHBondContact ND1-CG 3.47Å | ||
| 242 | P | 56.5 | Low | 62.6 | Low | 118 Ų | 118 | 115.8 Ų | 115.8 | 77% | 0.766 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -6.7 | -166.5 | 21.9 | -31.6 | 0 | 0 | 0 | 115.5 | A238 | A238-P242 VanDerWaalsContact O-CA 3.22Å; A238-P242 WeakPolarHBondContact O-CA 3.48Å |
| 243 | S | 56.4 | Low | 60.4 | Low | 82 Ų | 82 | 114.3 Ų | 114.3 | 57% | 0.573 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | -3.5 | -169.4 | 58.1 | 0 | 0 | 0 | 0 | 117.3 | H241 | H241-S243 PolarHBondContact O-N 3.42Š|
| 244 | M | 55.1 | Low | 57.9 | Low | 116 Ų | 116 | 124.4 Ų | 124.4 | 57% | 0.571 | 63% | 0.633 | S | S | * | * | trans | -111.6 | 0.6 | -168.2 | -63.5 | -63.1 | -179.6 | 0 | 0 | 116.5 | L219 H241 K246 | L219-M244 HydrophobicContact CD2-CB 4.31Å; H241-M244 WeakPolarHBondContact ND1-CG 3.47Å; M244-K246 PolarHBondContact O-N 3.22Å | ||
| 245 | L | 56.3 | Low | 55.7 | Low | 97 Ų | 97 | 130.7 Ų | 130.7 | 51% | 0.508 | 67% | 0.67 | S | S | . | * | trans | -81.2 | 51.9 | 172.9 | -66.6 | -173.7 | 0 | 0 | 0 | 112.4 | L219 A234 A238 | L219-L245 HydrophobicContact CD1-CD2 4.43Å; A234-L245 HydrophobicContact CB-CD2 4.32Å; A238-L245 HydrophobicContact CB-CD1 3.62Å; A238-L245 HydrophobicContact CB-CG 4.31Å | ||
| 246 | K | 50 | Low | 53.1 | Low | 180 Ų | 180 | 126.1 Ų | 126.1 | 78% | 0.783 | 67% | 0.673 | S | S | * | * | trans | -111.8 | 96.9 | 170.1 | -160.5 | 142 | -174.8 | 175 | 0 | 111.3 | M244 | M244-K246 PolarHBondContact O-N 3.22Š| ||
| 247 | R | 44.6 | Very low | 50.7 | Low | 205 Ų | 205 | 123.7 Ų | 123.7 | 77% | 0.774 | 68% | 0.681 | S | S | * | * | trans | 55.6 | 121.1 | 150 | -61.2 | 175.2 | 71.1 | -141.4 | 4.2 | 118.7 | ||||
| 248 | R | 40.6 | Very low | 48.7 | Very low | 239 Ų | 239 | 128 Ų | 128 | 90% | 0.902 | 71% | 0.71 | S | S | * | * | -156 | 101.2 | 109.9 | -122.9 | 152.5 | 87.9 | 178.5 | 4.4 | 112.4 | G250 | R248-G250 PolarHBondContact O-N 3.49Š| |||
| 249 | S | 46.7 | Very low | 46.8 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | trans | -74.4 | 104.4 | 148.7 | 50.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 250 | G | 38.1 | Very low | 44.9 | Very low | 50 Ų | 50 | 133.1 Ų | 133.1 | 52% | 0.515 | 74% | 0.743 | S | S | . | * | trans | -177.5 | 100.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R248 | R248-G250 PolarHBondContact O-N 3.49Š| ||
| 251 | S | 40.3 | Very low | 43.1 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | 20.2 | 101 | 152.6 | 55.3 | 0 | 0 | 0 | 0 | 117.6 | S253 | S251-S253 PolarHBondContact O-N 3.47Š| ||
| 252 | S | 33.5 | Very low | 41.8 | Very low | 131 Ų | 131 | 135 Ų | 135 | 92% | 0.916 | 76% | 0.758 | S | S | * | * | trans | -84.6 | 87.4 | 157.4 | -83.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 253 | S | 41.8 | Very low | 40.8 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -120.3 | 98.5 | 145.4 | -56.6 | 0 | 0 | 0 | 0 | 105.5 | S251 | S251-S253 PolarHBondContact O-N 3.47Š| ||
| 254 | R | 38.5 | Very low | 39.8 | Very low | 246 Ų | 246 | 140.6 Ų | 140.6 | 93% | 0.928 | 77% | 0.766 | S | S | * | * | trans | -158.9 | 104.2 | 157.6 | -115.5 | 172 | 164.4 | -156.5 | -7.8 | 109.8 | ||||
| 255 | T | 42 | Very low | 38.9 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 90% | 0.896 | 78% | 0.778 | S | S | * | * | trans | -64.3 | 156.3 | 154.9 | 46.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 256 | G | 32.7 | Very low | 37.7 | Very low | 65 Ų | 65 | 141.9 Ų | 141.9 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | trans | 139.3 | 78.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 257 | S | 34.5 | Very low | 37 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | 64.6 | 110.5 | 86 | 72.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 258 | V | 41.4 | Very low | 36.8 | Very low | 135 Ų | 135 | 134.5 Ų | 134.5 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -2 | 131.8 | 154.4 | -63.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 259 | S | 33.9 | Very low | 37 | Very low | 114 Ų | 114 | 128.9 Ų | 128.9 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | -167.7 | 114.2 | 127.9 | 1.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 260 | D | 31.9 | Very low | 36.7 | Very low | 155 Ų | 155 | 129.5 Ų | 129.5 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | 15.2 | 130.2 | 143.8 | -53.6 | -56.4 | 0 | 0 | 0 | 122.2 | ||||
| 261 | Y | 28.3 | Very low | 36.8 | Very low | 200 Ų | 200 | 134.8 Ų | 134.8 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | -154.3 | 113.9 | 122.1 | 169.7 | -101.2 | 0 | 0 | 0 | 109.7 | R263 | Y261-R263 HydrophobicContact CE1-CB 4.48Š| |||
| 262 | S | 35.4 | Very low | 36.8 | Very low | 101 Ų | 101 | 134.5 Ų | 134.5 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | -84.1 | 133.4 | 162.6 | -59.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 263 | R | 34.2 | Very low | 37.7 | Very low | 220 Ų | 220 | 133.7 Ų | 133.7 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | -174.4 | 141 | 126.6 | -116.4 | 173.2 | 173.1 | 164.4 | -2.9 | 113.6 | Y261 | Y261-R263 HydrophobicContact CE1-CB 4.48Š| |||
| 264 | S | 36.6 | Very low | 37.6 | Very low | 99 Ų | 99 | 132.7 Ų | 132.7 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | -70.8 | 165.8 | 175.2 | -43.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 265 | D | 34.6 | Very low | 37.6 | Very low | 154 Ų | 154 | 126.3 Ų | 126.3 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | 110.9 | 126.8 | 141.7 | -68.3 | -41.7 | 0 | 0 | 0 | 120.7 | ||||
| 266 | A | 32.4 | Very low | 37.3 | Very low | 86 Ų | 86 | 124.6 Ų | 124.6 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | 72.9 | 111 | 137.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 267 | S | 35.1 | Very low | 38.7 | Very low | 114 Ų | 114 | 131 Ų | 131 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | 156.7 | 128.3 | 97.1 | -67.8 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 268 | S | 39.5 | Very low | 38.9 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -56.1 | 163.4 | 160.3 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 269 | P | 45 | Very low | 38.8 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | -135.8 | 130.2 | 121.4 | 28.7 | -13.1 | 0 | 0 | 0 | 112.9 | |||||
| 270 | T | 40.9 | Very low | 39.1 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | -63.5 | 146.6 | 147 | 32.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 271 | I | 40.3 | Very low | 39.5 | Very low | 160 Ų | 160 | 131.4 Ų | 131.4 | 82% | 0.821 | 80% | 0.803 | S | S | * | * | trans | -169.8 | 111.4 | 140.4 | -85.3 | 140.5 | 0 | 0 | 0 | 106.6 | ||||
| 272 | S | 40 | Very low | 40.2 | Very low | 111 Ų | 111 | 127.1 Ų | 127.1 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | -84.7 | 160 | 147.9 | -51.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 273 | P | 53.2 | Low | 40.5 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | -155.8 | 175.3 | 89.1 | 37.8 | -17.9 | 0 | 0 | 0 | 116.6 | |||||
| 274 | A | 38.3 | Very low | 41 | Very low | 88 Ų | 88 | 122.4 Ų | 122.4 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | 71.2 | 138.4 | 143.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 275 | S | 40 | Very low | 41.3 | Very low | 113 Ų | 113 | 124.2 Ų | 124.2 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | cis | -166.9 | 160.1 | 3.7 | -84.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 276 | S | 34.8 | Very low | 41.9 | Very low | 109 Ų | 109 | 121.7 Ų | 121.7 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | trans | -57.5 | -165.5 | 166.1 | -37.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 277 | P | 63 | Low | 42.7 | Very low | 201 Ų | 201 | 124.9 Ų | 124.9 | 100% | 1.305 | 83% | 0.827 | S | S | * | * | cis | -101 | 0 | 33.1 | 36 | -33.7 | 0 | 0 | 0 | 116.2 |
Retrieved 277 of 277 residues in 257.8 ms
(Link to these results)