| 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 | 35.2 | Very low | 43.7 | Very low | 236 Ų | 236 | 182.3 Ų | 182.3 | 100% | 1.163 | 91% | 0.905 | S | S | * | * | 0 | 130.2 | 0 | -84.2 | -151.3 | 177.5 | 0 | 0 | 109.2 | |||||
| 2 | R | 39.8 | Very low | 44.2 | Very low | 250 Ų | 250 | 177 Ų | 177 | 94% | 0.943 | 89% | 0.894 | S | S | * | * | trans | 41.7 | 127.8 | 158.1 | -63.1 | -175.7 | -173.4 | -124.3 | 0.9 | 120.8 | ||||
| 3 | G | 39.1 | Very low | 45 | Very low | 84 Ų | 84 | 173.2 Ų | 173.2 | 87% | 0.866 | 89% | 0.889 | S | S | * | * | trans | 170.7 | 74.8 | 154.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 4 | A | 45.9 | Very low | 45.1 | Very low | 103 Ų | 103 | 170.9 Ų | 170.9 | 85% | 0.851 | 89% | 0.887 | S | S | * | * | trans | -79.5 | 144.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 5 | R | 44 | Very low | 44.6 | Very low | 259 Ų | 259 | 164.5 Ų | 164.5 | 98% | 0.977 | 88% | 0.88 | S | S | * | * | trans | -159.7 | 147.1 | 148.8 | -123.9 | 177.4 | -176.7 | -141.2 | -0.1 | 112.6 | ||||
| 6 | A | 43.1 | Very low | 44.3 | Very low | 98 Ų | 98 | 170 Ų | 170 | 81% | 0.81 | 88% | 0.884 | S | S | * | * | trans | -93.2 | 168.8 | -157.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 7 | E | 47.8 | Very low | 43.9 | Very low | 182 Ų | 182 | 171.3 Ų | 171.3 | 85% | 0.85 | 89% | 0.885 | S | S | * | * | trans | -49.8 | 163.1 | 169.9 | -75.9 | -157.6 | 130.5 | 0 | 0 | 115.8 | ||||
| 8 | P | 56.9 | Low | 43.4 | Very low | 123 Ų | 123 | 171.4 Ų | 171.4 | 80% | 0.799 | 88% | 0.881 | S | S | * | * | trans | -114.5 | 137.9 | 150.3 | 35.1 | -22.8 | 0 | 0 | 0 | 114.1 | ||||
| 9 | E | 39.7 | Very low | 43.1 | Very low | 188 Ų | 188 | 170.6 Ų | 170.6 | 88% | 0.879 | 88% | 0.877 | S | S | * | * | trans | -83.6 | 169.2 | 178.1 | -145.7 | -172.3 | 162.8 | 0 | 0 | 113.2 | ||||
| 10 | R | 42.1 | Very low | 43.1 | Very low | 236 Ų | 236 | 171.1 Ų | 171.1 | 89% | 0.891 | 88% | 0.876 | S | S | * | * | trans | -70.2 | 157.7 | -165.3 | -58.9 | 176 | -178.5 | -142.4 | -0.7 | 115.9 | ||||
| 11 | R | 46.9 | Very low | 43.5 | Very low | 246 Ų | 246 | 168.8 Ų | 168.8 | 93% | 0.928 | 87% | 0.872 | S | S | * | * | trans | -133.3 | 147.6 | 153.8 | -77.1 | -169.8 | -179.3 | -158.5 | 1 | 111.5 | ||||
| 12 | P | 49.6 | Very low | 43.4 | Very low | 119 Ų | 119 | 169.6 Ų | 169.6 | 77% | 0.773 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 163.8 | -176.4 | 38.7 | -32.6 | 0 | 0 | 0 | 112.7 | ||
| 13 | P | 54.9 | Low | 43.3 | Very low | 128 Ų | 128 | 162.7 Ų | 162.7 | 83% | 0.831 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 143.5 | 165.2 | 34.4 | -26.6 | 0 | 0 | 0 | 113.7 | ||
| 14 | T | 46.2 | Very low | 43.1 | Very low | 140 Ų | 140 | 163.6 Ų | 163.6 | 86% | 0.859 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 152 | 178.6 | 44.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 15 | G | 37.7 | Very low | 42.8 | Very low | 75 Ų | 75 | 163.2 Ų | 163.2 | 77% | 0.773 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 166 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 16 | R | 40.1 | Very low | 43.1 | Very low | 253 Ų | 253 | 157 Ų | 157 | 96% | 0.955 | 85% | 0.848 | S | S | * | * | trans | -144.6 | 127 | 159.5 | -94.5 | -172.4 | 175.5 | -176.8 | -2.1 | 109.2 | ||||
| 17 | Q | 37.2 | Very low | 42.7 | Very low | 192 Ų | 192 | 155.6 Ų | 155.6 | 90% | 0.897 | 84% | 0.843 | S | S | * | * | trans | -81 | 143.7 | 165.2 | -69.4 | 172.8 | -1.6 | 0 | 0 | 109 | ||||
| 18 | E | 34.5 | Very low | 42.2 | Very low | 174 Ų | 174 | 156.1 Ų | 156.1 | 81% | 0.813 | 85% | 0.845 | S | S | * | * | trans | -159.4 | 117 | 148.2 | -147.1 | 167.4 | 129.5 | 0 | 0 | 113.6 | ||||
| 19 | L | 38.5 | Very low | 41.9 | Very low | 155 Ų | 155 | 155 Ų | 155 | 81% | 0.812 | 84% | 0.838 | S | S | * | * | trans | 60.4 | 121.3 | 139.2 | -60.7 | 169.8 | 0 | 0 | 0 | 123.7 | ||||
| 20 | E | 43.5 | Very low | 41.7 | Very low | 180 Ų | 180 | 149.6 Ų | 149.6 | 84% | 0.841 | 83% | 0.833 | S | S | * | * | trans | -75 | 163.6 | 159.5 | -65.4 | -144.3 | 131.8 | 0 | 0 | 114 | ||||
| 21 | P | 49.7 | Very low | 41.4 | Very low | 123 Ų | 123 | 149.9 Ų | 149.9 | 80% | 0.799 | 83% | 0.834 | S | S | * | * | trans | -110.9 | 134 | 154.5 | 33.9 | -21 | 0 | 0 | 0 | 113.7 | ||||
| 22 | R | 33.7 | Very low | 40.9 | Very low | 253 Ų | 253 | 142.4 Ų | 142.4 | 96% | 0.955 | 83% | 0.825 | S | S | * | * | trans | -57 | 141.2 | 169.8 | -75.1 | 168.6 | 135.2 | -161.6 | -3.5 | 113.1 | ||||
| 23 | A | 39 | Very low | 40.2 | Very low | 105 Ų | 105 | 149 Ų | 149 | 87% | 0.868 | 83% | 0.834 | S | S | * | * | trans | -108.6 | 137.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 24 | A | 34.5 | Very low | 39.1 | Very low | 104 Ų | 104 | 146.5 Ų | 146.5 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | trans | -92.9 | 146.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 25 | A | 39.9 | Very low | 38.6 | Very low | 94 Ų | 94 | 145.7 Ų | 145.7 | 78% | 0.777 | 83% | 0.832 | S | S | * | * | trans | -77.5 | 162.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 26 | P | 50.4 | Low | 38.5 | Very low | 130 Ų | 130 | 154 Ų | 154 | 84% | 0.844 | 84% | 0.84 | S | S | * | * | -137.8 | 163.1 | 78.8 | 25.3 | -2.9 | 0 | 0 | 0 | 111.7 | |||||
| 27 | G | 33.3 | Very low | 38.1 | Very low | 68 Ų | 68 | 146.8 Ų | 146.8 | 70% | 0.701 | 84% | 0.835 | S | S | * | * | cis | 101.9 | 108.3 | 44.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 28 | E | 38 | Very low | 37.9 | Very low | 192 Ų | 192 | 142.7 Ų | 142.7 | 90% | 0.897 | 83% | 0.833 | S | S | * | * | trans | 156.7 | 160.5 | 152.2 | -86 | -103.5 | 127.2 | 0 | 0 | 113.8 | ||||
| 29 | P | 49.7 | Very low | 37.9 | Very low | 99 Ų | 99 | 139.7 Ų | 139.7 | 64% | 0.643 | 84% | 0.838 | S | S | * | * | -112.3 | 171.4 | -128.5 | 41.5 | -37.1 | 0 | 0 | 0 | 116.4 | |||||
| 30 | G | 35.3 | Very low | 37.5 | Very low | 75 Ų | 75 | 136.1 Ų | 136.1 | 77% | 0.773 | 84% | 0.839 | S | S | * | * | trans | -68.1 | 148.7 | 173 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 31 | R | 36.1 | Very low | 37.1 | Very low | 243 Ų | 243 | 132.5 Ų | 132.5 | 92% | 0.917 | 84% | 0.84 | S | S | * | * | trans | -136.3 | 118.4 | 157.3 | -75.5 | -172.3 | -173.7 | -118.6 | 0 | 109.5 | ||||
| 32 | A | 36.3 | Very low | 36.3 | Very low | 89 Ų | 89 | 131.4 Ų | 131.4 | 74% | 0.736 | 84% | 0.842 | S | S | * | * | trans | -64.4 | 161.7 | 154.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 33 | W | 36.3 | Very low | 36.5 | Very low | 257 Ų | 257 | 130.8 Ų | 130.8 | 97% | 0.973 | 84% | 0.839 | S | S | * | * | trans | 169.9 | 129.7 | 146.3 | -84.4 | 22.4 | 0 | 0 | 0 | 103.2 | ||||
| 34 | G | 31.7 | Very low | 37.1 | Very low | 76 Ų | 76 | 130.9 Ų | 130.9 | 78% | 0.784 | 83% | 0.831 | S | S | * | * | cis | 131.3 | 101.6 | 30.7 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 35 | S | 35.2 | Very low | 37 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 86% | 0.86 | 84% | 0.835 | S | S | * | * | trans | -58.8 | 140 | 176.2 | -52.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 36 | R | 34.9 | Very low | 36.6 | Very low | 249 Ų | 249 | 137.1 Ų | 137.1 | 94% | 0.94 | 84% | 0.837 | S | S | * | * | trans | -160.4 | 120.4 | 144.1 | -112.7 | 169.2 | -162.9 | -117.3 | 3.2 | 112 | ||||
| 37 | A | 31.9 | Very low | 35.8 | Very low | 102 Ų | 102 | 137.5 Ų | 137.5 | 84% | 0.843 | 84% | 0.837 | S | S | * | * | trans | -74.6 | 148.2 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 38 | A | 34.2 | Very low | 35.8 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 87% | 0.868 | 85% | 0.848 | S | S | * | * | trans | -154.1 | 120.1 | 151.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 39 | A | 33 | Very low | 35.4 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 92% | 0.917 | 84% | 0.842 | S | S | * | * | trans | -74.9 | 153.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 40 | G | 31 | Very low | 34.4 | Very low | 80 Ų | 80 | 138.4 Ų | 138.4 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | trans | -169.4 | 102.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 41 | A | 35.1 | Very low | 34.2 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 86% | 0.86 | 84% | 0.837 | S | S | * | * | trans | -72.9 | 151.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 42 | A | 33.1 | Very low | 34.1 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 84% | 0.835 | 84% | 0.837 | S | S | * | * | 162.4 | 120.6 | 127.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 43 | R | 36.8 | Very low | 34.1 | Very low | 240 Ų | 240 | 141.8 Ų | 141.8 | 91% | 0.906 | 84% | 0.843 | S | S | * | * | trans | -84.3 | 179.1 | 152.2 | -67.2 | -176.9 | 158.4 | -156.4 | -3.1 | 107.6 | ||||
| 44 | P | 51.5 | Low | 34.6 | Very low | 106 Ų | 106 | 135.5 Ų | 135.5 | 69% | 0.688 | 84% | 0.835 | S | S | * | * | cis | -153.2 | -175.2 | 15.2 | 47.9 | -27.4 | 0 | 0 | 0 | 118.3 | ||||
| 45 | R | 33.9 | Very low | 34.8 | Very low | 250 Ų | 250 | 136.4 Ų | 136.4 | 94% | 0.943 | 83% | 0.829 | S | S | * | * | trans | 74.3 | 127.3 | 151.2 | -69.5 | -176.2 | -173.6 | -133.3 | -1.4 | 121.1 | ||||
| 46 | G | 30.7 | Very low | 35.1 | Very low | 80 Ų | 80 | 136.6 Ų | 136.6 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | trans | -172.5 | 99.5 | 157.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 47 | V | 34 | Very low | 35.4 | Very low | 138 Ų | 138 | 130.7 Ų | 130.7 | 84% | 0.836 | 82% | 0.82 | S | S | * | * | trans | -92.3 | 135.2 | 171.5 | 171.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 48 | C | 32.2 | Very low | 36 | Very low | 138 Ų | 138 | 131.2 Ų | 131.2 | 93% | 0.932 | 81% | 0.814 | S | S | * | * | trans | -153.5 | 139.5 | 154.5 | -79.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 49 | D | 30.5 | Very low | 36.3 | Very low | 145 Ų | 145 | 132.4 Ų | 132.4 | 78% | 0.775 | 81% | 0.813 | S | S | * | * | trans | -118 | 158.6 | -166 | -171.9 | 16.3 | 0 | 0 | 0 | 111.1 | ||||
| 50 | C | 29.7 | Very low | 36.3 | Very low | 95 Ų | 95 | 138.4 Ų | 138.4 | 64% | 0.642 | 81% | 0.812 | S | S | * | * | trans | 73.1 | 116.9 | 153.9 | -82.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 51 | S | 30.9 | Very low | 36.4 | Very low | 97 Ų | 97 | 141 Ų | 141 | 68% | 0.678 | 81% | 0.811 | S | S | * | * | 86.5 | 111.2 | 122.8 | -60 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 52 | Q | 33.1 | Very low | 36.1 | Very low | 197 Ų | 197 | 141.5 Ų | 141.5 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | -177.3 | 120.5 | 117.9 | -94.8 | 150.3 | 32.7 | 0 | 0 | 113.2 | |||||
| 53 | H | 36.4 | Very low | 36 | Very low | 183 Ų | 183 | 142.1 Ų | 142.1 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | trans | -94.8 | 153.6 | 157.7 | -91.9 | -71.6 | 0 | 0 | 0 | 108 | ||||
| 54 | P | 46.3 | Very low | 35.7 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | -142.2 | 166.1 | 78.2 | 31 | -9.7 | 0 | 0 | 0 | 116.1 | |||||
| 55 | S | 35.5 | Very low | 34.6 | Very low | 95 Ų | 95 | 139 Ų | 139 | 66% | 0.664 | 80% | 0.801 | S | S | * | * | trans | -69.7 | 170.6 | 176.9 | 51.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 56 | P | 41.8 | Very low | 34.4 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | -134.8 | 168.5 | 104.3 | 33.6 | -19.4 | 0 | 0 | 0 | 114.6 | |||||
| 57 | T | 41.5 | Very low | 34.5 | Very low | 126 Ų | 126 | 138.9 Ų | 138.9 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -88.6 | -165.6 | -164.9 | 55.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 58 | P | 45.6 | Very low | 34.5 | Very low | 112 Ų | 112 | 139.3 Ų | 139.3 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | -118.1 | -174.9 | -105.9 | 35.5 | -14.8 | 0 | 0 | 0 | 113.3 | |||||
| 59 | P | 39.1 | Very low | 34.4 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | trans | -121.6 | 150.8 | 150 | 33.6 | -22 | 0 | 0 | 0 | 114.1 | ||||
| 60 | R | 34.3 | Very low | 34.6 | Very low | 237 Ų | 237 | 143.6 Ų | 143.6 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | trans | -81.5 | 148.1 | -171.1 | -67.3 | 167.4 | 128.6 | -150.9 | -0.9 | 113.2 | ||||
| 61 | V | 31.5 | Very low | 34.7 | Very low | 134 Ų | 134 | 147.8 Ų | 147.8 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | 1.1 | 129.6 | 146.8 | -160.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 62 | S | 29.8 | Very low | 34.7 | Very low | 115 Ų | 115 | 153 Ų | 153 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -148.6 | 133.1 | 141.9 | -173.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 63 | V | 31.9 | Very low | 34.7 | Very low | 114 Ų | 114 | 148.7 Ų | 148.7 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | trans | -68.7 | 131.3 | -179.8 | 176.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 64 | C | 28.6 | Very low | 34.5 | Very low | 128 Ų | 128 | 150.4 Ų | 150.4 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | trans | -115 | 98.7 | 166.8 | -80.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 65 | H | 29.4 | Very low | 34.1 | Very low | 154 Ų | 154 | 156.4 Ų | 156.4 | 71% | 0.713 | 81% | 0.81 | S | S | * | * | trans | -48.5 | 127.7 | 154.6 | -99.8 | -1.1 | 0 | 0 | 0 | 110.9 | ||||
| 66 | L | 28.8 | Very low | 34.1 | Very low | 181 Ų | 181 | 164 Ų | 164 | 95% | 0.948 | 82% | 0.824 | S | S | * | * | trans | -108.3 | 82.6 | 157.4 | -150.8 | 74.5 | 0 | 0 | 0 | 108.7 | ||||
| 67 | Q | 34.1 | Very low | 33.6 | Very low | 145 Ų | 145 | 161.9 Ų | 161.9 | 68% | 0.678 | 83% | 0.826 | S | S | * | * | trans | -70.7 | 142.9 | 171.3 | -165.6 | 90.6 | -21.2 | 0 | 0 | 109.9 | ||||
| 68 | L | 33.8 | Very low | 33 | Very low | 148 Ų | 148 | 159.9 Ų | 159.9 | 78% | 0.775 | 83% | 0.83 | S | S | * | * | trans | -43.8 | 133 | 177.3 | -72.1 | 87.4 | 0 | 0 | 0 | 114.7 | M70 | L68-M70 PolarHBondContact O-N 2.95Š| ||
| 69 | K | 30.3 | Very low | 32.3 | Very low | 201 Ų | 201 | 158.5 Ų | 158.5 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | trans | -80.6 | 101.6 | 155.5 | -96.4 | -177.6 | 172 | 178 | 0 | 109.6 | ||||
| 70 | M | 35.2 | Very low | 31.9 | Very low | 172 Ų | 172 | 156.4 Ų | 156.4 | 85% | 0.847 | 84% | 0.839 | S | S | * | * | trans | -112.2 | 99.4 | 157.6 | -164.6 | -172.6 | -82.8 | 0 | 0 | 106.7 | L68 | L68-M70 PolarHBondContact O-N 2.95Š| ||
| 71 | E | 30.8 | Very low | 31.8 | Very low | 182 Ų | 182 | 148.4 Ų | 148.4 | 85% | 0.85 | 83% | 0.83 | S | S | * | * | trans | -99.7 | 112.5 | 175.4 | -164.7 | 132.1 | -174.5 | 0 | 0 | 110 | ||||
| 72 | R | 31.7 | Very low | 32 | Very low | 207 Ų | 207 | 154.3 Ų | 154.3 | 78% | 0.781 | 84% | 0.838 | S | S | * | * | trans | -92.7 | 103.6 | -178.9 | -169.4 | -178.3 | -160 | 172.9 | 6.6 | 107.3 | R74 | R72-R74 PolarHBondContact O-N 3.36Š| ||
| 73 | A | 32.7 | Very low | 32 | Very low | 106 Ų | 106 | 152.2 Ų | 152.2 | 88% | 0.876 | 83% | 0.834 | S | S | * | * | trans | -70 | 110.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 74 | R | 32.4 | Very low | 32.3 | Very low | 219 Ų | 219 | 159.2 Ų | 159.2 | 83% | 0.826 | 85% | 0.848 | S | S | * | * | trans | -117.3 | 107.3 | 166.7 | -137.1 | -177.4 | -177.1 | 169.9 | 0.4 | 106.5 | R72 | R72-R74 PolarHBondContact O-N 3.36Š| ||
| 75 | R | 36.8 | Very low | 32.5 | Very low | 252 Ų | 252 | 157.1 Ų | 157.1 | 95% | 0.951 | 85% | 0.848 | S | S | * | * | trans | -116.8 | 130.7 | 157.3 | -83.9 | -161.8 | 175.1 | -139.7 | 1.1 | 109.3 | ||||
| 76 | R | 36.3 | Very low | 32.7 | Very low | 253 Ų | 253 | 153 Ų | 153 | 96% | 0.955 | 85% | 0.848 | S | S | * | * | trans | -69.8 | 145.4 | 176.8 | -85.5 | 172 | 151.2 | -175.8 | -6.1 | 111 | ||||
| 77 | G | 30.8 | Very low | 33.1 | Very low | 83 Ų | 83 | 153.5 Ų | 153.5 | 86% | 0.856 | 84% | 0.842 | S | S | * | * | 115.8 | 117.9 | 122.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 78 | G | 30.3 | Very low | 33.2 | Very low | 84 Ų | 84 | 153.3 Ų | 153.3 | 87% | 0.866 | 85% | 0.846 | S | S | * | * | trans | 128.1 | 98.5 | 139.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 79 | G | 29.9 | Very low | 33.2 | Very low | 83 Ų | 83 | 153.3 Ų | 153.3 | 86% | 0.856 | 85% | 0.852 | S | S | * | * | 92.2 | 121.6 | 123.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 80 | G | 31.1 | Very low | 33.2 | Very low | 87 Ų | 87 | 147.4 Ų | 147.4 | 90% | 0.897 | 85% | 0.848 | S | S | * | * | trans | 82 | 128.7 | 152.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 81 | G | 32.3 | Very low | 33.1 | Very low | 69 Ų | 69 | 142.6 Ų | 142.6 | 71% | 0.711 | 84% | 0.843 | S | S | * | * | cis | 125.5 | 135.7 | 26.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 82 | R | 34.3 | Very low | 33.3 | Very low | 258 Ų | 258 | 139.8 Ų | 139.8 | 97% | 0.974 | 84% | 0.843 | S | S | * | * | trans | 89.4 | 122.8 | -176.9 | -52 | 172 | -174 | -126.4 | -0.1 | 113.2 | ||||
| 83 | G | 31.4 | Very low | 33.3 | Very low | 71 Ų | 71 | 133.1 Ų | 133.1 | 73% | 0.732 | 84% | 0.839 | S | S | * | * | cis | 117.8 | 105.5 | 18.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 84 | R | 38.2 | Very low | 33.7 | Very low | 260 Ų | 260 | 136.8 Ų | 136.8 | 98% | 0.981 | 84% | 0.843 | S | S | * | * | trans | 141.6 | 121.1 | 166.5 | -86.2 | 173 | 178.7 | -124.9 | 0.7 | 107 | ||||
| 85 | G | 31.4 | Very low | 33.8 | Very low | 84 Ų | 84 | 131.9 Ų | 131.9 | 87% | 0.866 | 84% | 0.842 | S | S | * | * | cis | 134.9 | 121.9 | 15.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 86 | G | 35 | Very low | 33.7 | Very low | 69 Ų | 69 | 130 Ų | 130 | 71% | 0.711 | 84% | 0.841 | S | S | * | * | trans | 123.7 | 96.3 | 150.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 87 | K | 37 | Very low | 33.6 | Very low | 190 Ų | 190 | 123.2 Ų | 123.2 | 83% | 0.826 | 83% | 0.832 | S | S | * | * | 69.6 | 109 | 121.8 | -66.2 | 176.2 | -179.1 | -175.4 | 0 | 120.2 | |||||
| 88 | N | 34.9 | Very low | 33.8 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 76% | 0.759 | 83% | 0.833 | S | S | * | * | 169.5 | 116.5 | 98.7 | -79.8 | -36 | 0 | 0 | 0 | 110.1 | |||||
| 89 | V | 34.3 | Very low | 33.8 | Very low | 147 Ų | 147 | 133.8 Ų | 133.8 | 89% | 0.891 | 83% | 0.831 | S | S | * | * | 53.5 | 122.3 | 100.2 | -170.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 90 | G | 31.4 | Very low | 33.9 | Very low | 77 Ų | 77 | 139.7 Ų | 139.7 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | cis | 175.5 | 162 | 6.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 91 | G | 31.9 | Very low | 34.8 | Very low | 72 Ų | 72 | 141.4 Ų | 141.4 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | trans | 163.3 | 91.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 92 | S | 35.8 | Very low | 34.8 | Very low | 123 Ų | 123 | 146.1 Ų | 146.1 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | trans | -16.6 | 134.1 | 155.2 | 46.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 93 | G | 31.7 | Very low | 34.8 | Very low | 67 Ų | 67 | 137.8 Ų | 137.8 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | cis | 98.2 | 88.6 | 33.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 94 | L | 39.6 | Very low | 35 | Very low | 183 Ų | 183 | 142.7 Ų | 142.7 | 96% | 0.958 | 82% | 0.818 | S | S | * | * | trans | -152.1 | 105.7 | 157.6 | -80.2 | -176.7 | 0 | 0 | 0 | 110.2 | ||||
| 95 | S | 35 | Very low | 34.7 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -89 | 135.2 | 164.9 | -55 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 96 | K | 34.6 | Very low | 34.7 | Very low | 214 Ų | 214 | 138.9 Ų | 138.9 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | trans | -145.3 | 107.1 | 147.9 | -81.5 | -167.7 | 179.2 | 168.6 | 0 | 110.6 | ||||
| 97 | S | 34.1 | Very low | 34.7 | Very low | 110 Ų | 110 | 145 Ų | 145 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -91.8 | 139.7 | 163 | 51 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 98 | R | 35.7 | Very low | 34.3 | Very low | 232 Ų | 232 | 146.4 Ų | 146.4 | 88% | 0.875 | 81% | 0.81 | S | S | * | * | trans | 165 | 131.3 | 150.3 | -103.6 | -178.3 | -168.2 | -165 | 3.6 | 107.5 | ||||
| 99 | L | 30.3 | Very low | 34.9 | Very low | 157 Ų | 157 | 144.2 Ų | 144.2 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | cis | -154.7 | 153.4 | 28 | -72.8 | 113.7 | 0 | 0 | 0 | 111.4 | ||||
| 100 | Y | 32 | Very low | 34.9 | Very low | 206 Ų | 206 | 146.7 Ų | 146.7 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | -97.8 | 159.9 | 153.7 | -106 | -89.5 | 0 | 0 | 0 | 107.8 | ||||
| 101 | P | 50.7 | Low | 34.9 | Very low | 123 Ų | 123 | 154.1 Ų | 154.1 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | -144.6 | 143.8 | 62.1 | 30.2 | -6.6 | 0 | 0 | 0 | 115 | |||||
| 102 | Q | 31 | Very low | 35.3 | Very low | 169 Ų | 169 | 155.4 Ų | 155.4 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | 69.5 | 112 | 85.3 | -161.6 | 151.7 | -11.5 | 0 | 0 | 118.9 | |||||
| 103 | A | 34.8 | Very low | 35 | Very low | 82 Ų | 82 | 153.9 Ų | 153.9 | 68% | 0.678 | 81% | 0.809 | S | S | * | * | trans | 72 | 144 | 149.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 104 | Q | 36.7 | Very low | 35.1 | Very low | 174 Ų | 174 | 156 Ų | 156 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | cis | -160.2 | 152.2 | 43.4 | -62.8 | -168.2 | -11.8 | 0 | 0 | 113.9 | ||||
| 105 | H | 31.6 | Very low | 34.9 | Very low | 171 Ų | 171 | 152.4 Ų | 152.4 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | 26.1 | 151.4 | 141.1 | -69.6 | 98.3 | 0 | 0 | 0 | 121.5 | ||||
| 106 | S | 30.8 | Very low | 35 | Very low | 94 Ų | 94 | 152.9 Ų | 152.9 | 66% | 0.657 | 81% | 0.808 | S | S | * | * | cis | -178.9 | 137.5 | 12.9 | -105.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 107 | H | 34.1 | Very low | 35.4 | Very low | 196 Ų | 196 | 148.4 Ų | 148.4 | 91% | 0.907 | 80% | 0.801 | S | S | * | * | trans | -171.2 | 135.1 | 142.4 | -112 | 65.5 | 0 | 0 | 0 | 112.8 | ||||
| 108 | Y | 29.3 | Very low | 35.6 | Very low | 221 Ų | 221 | 151 Ų | 151 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -71.1 | -172.7 | -176.5 | -102.4 | -103.8 | 0 | 0 | 0 | 113.7 | ||||
| 109 | P | 48.2 | Very low | 36 | Very low | 95 Ų | 95 | 148.8 Ų | 148.8 | 62% | 0.617 | 81% | 0.806 | S | S | * | * | -122.3 | 152.4 | -72.4 | 35.4 | -17.7 | 0 | 0 | 0 | 112.2 | |||||
| 110 | H | 33 | Very low | 36.4 | Very low | 199 Ų | 199 | 146.1 Ų | 146.1 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -142.1 | 141.3 | 165.1 | -88.1 | -75.2 | 0 | 0 | 0 | 113.9 | ||||
| 111 | Y | 31.3 | Very low | 36.5 | Very low | 234 Ų | 234 | 139.9 Ų | 139.9 | 92% | 0.918 | 81% | 0.805 | S | S | * | * | trans | -61.5 | 160 | -174 | -108.4 | -111.3 | 0 | 0 | 0 | 114.8 | ||||
| 112 | A | 40.2 | Very low | 35.8 | Very low | 98 Ų | 98 | 138.3 Ų | 138.3 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -53.5 | 142.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 113 | A | 30.4 | Very low | 36.4 | Very low | 92 Ų | 92 | 134.5 Ų | 134.5 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | trans | -151.2 | 115.1 | 154.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 114 | S | 34.2 | Very low | 37.2 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | 18.1 | 110.2 | 146.3 | 53.8 | 0 | 0 | 0 | 0 | 118.5 | T116 | S114-T116 PolarHBondContact O-N 3.07Š| ||
| 115 | A | 35.6 | Very low | 39 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 88% | 0.884 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 125 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 116 | T | 36 | Very low | 41.7 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 77% | 0.767 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 141.7 | -173 | 49.2 | 0 | 0 | 0 | 0 | 115.6 | S114 | S114-T116 PolarHBondContact O-N 3.07Š|
| 117 | P | 43.8 | Very low | 44.7 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 141.7 | 164.4 | 32 | -29.4 | 0 | 0 | 0 | 110.4 | Q119 | P117-Q119 PolarHBondContact O-N 2.73Š|
| 118 | N | 37.8 | Very low | 47.5 | Very low | 165 Ų | 165 | 126.8 Ų | 126.8 | 88% | 0.882 | 76% | 0.76 | S | S | * | * | trans | -67.5 | 109.2 | -179.3 | -153 | -1.2 | 0 | 0 | 0 | 109.8 | A120 | N118-A120 PolarHBondContact O-N 3.47Š| ||
| 119 | Q | 43.7 | Very low | 50.7 | Low | 185 Ų | 185 | 118.2 Ų | 118.2 | 86% | 0.864 | 73% | 0.729 | S | S | * | * | trans | -75.8 | 114.6 | 168.2 | -86.2 | -174 | 45.3 | 0 | 0 | 109.7 | P117 | P117-Q119 PolarHBondContact O-N 2.73Š| ||
| 120 | A | 40.4 | Very low | 53 | Low | 101 Ų | 101 | 114.5 Ų | 114.5 | 84% | 0.835 | 71% | 0.706 | S | S | * | * | trans | -109.9 | 111.1 | 153.7 | 0 | 0 | 0 | 0 | 0 | 107 | N118 | N118-A120 PolarHBondContact O-N 3.47Š| ||
| 121 | G | 32.7 | Very low | 56 | Low | 75 Ų | 75 | 108.1 Ų | 108.1 | 77% | 0.773 | 68% | 0.684 | S | S | * | * | trans | -71.6 | 152.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 122 | G | 35.4 | Very low | 59.1 | Low | 89 Ų | 89 | 99.6 Ų | 99.6 | 92% | 0.918 | 65% | 0.652 | S | S | * | * | trans | 89.7 | 9.2 | 142.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 123 | A | 44.2 | Very low | 61.8 | Low | 90 Ų | 90 | 101 Ų | 101 | 74% | 0.744 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -92.4 | 119.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | E125 | A123-E125 PolarHBondContact O-N 3.2Š|
| 124 | A | 52.8 | Low | 65 | Low | 58 Ų | 58 | 97.2 Ų | 97.2 | 48% | 0.479 | 60% | 0.603 | S | S | . | * | trans | -41.3 | 131 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | I126 | A124-I126 VanDerWaalsContact C-N 3.34Å; A124-I126 WeakPolarHBondContact O-CG1 3.4Å; A124-I126 PolarHBondContact O-N 3.08Å | ||
| 125 | E | 73.1 | Confident | 67.9 | Low | 184 Ų | 184 | 95.5 Ų | 95.5 | 86% | 0.86 | 59% | 0.586 | S | S | * | * | trans | -57 | 90.6 | -173.5 | -171.6 | 176 | -177.1 | 0 | 0 | 110.3 | A123 Q127 | A123-E125 PolarHBondContact O-N 3.2Å; E125-Q127 PolarHBondContact O-N 2.77Å | ||
| 126 | I | 89 | Confident | 70.7 | Confident | 93 Ų | 93 | 90.8 Ų | 90.8 | 48% | 0.477 | 55% | 0.546 | S | S | . | . | trans | -78.7 | 103.8 | 175.7 | -64.3 | 176.7 | 0 | 0 | 0 | 106.9 | A124 K146 Q147 F153 | A124-I126 VanDerWaalsContact C-N 3.34Å; A124-I126 WeakPolarHBondContact O-CG1 3.4Å; A124-I126 PolarHBondContact O-N 3.08Å; I126-K146 HydrophobicContact CG2-CB 3.88Å; I126-K146 HydrophobicContact CG2-CD 4.04Å; I126-K146 HydrophobicContact CG2-CG 4.34Å; I126-Q147 CarbonylContact C-O 3.5Å; I126-Q147 VanDerWaalsContact CA-O 3.24Å; I126-Q147 WeakPolarHBondContact CA-O 3.44Å; I126-F153 HydrophobicContact CD1-CZ 4.46Å; I126-F153 HydrophobicContact CG2-CE1 4.1Å; I126-F153 HydrophobicContact CG2-CZ 3.91Å | ||
| 127 | Q | 92.9 | Very high | 73.3 | Confident | 110 Ų | 110 | 91.6 Ų | 91.6 | 51% | 0.514 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 135.7 | 176.5 | -170.1 | 178.6 | 29.8 | 0 | 0 | 110.2 | E125 L129 K146 Q147 | E125-Q127 PolarHBondContact O-N 2.77Å; Q127-L129 HydrophobicContact CG-CD2 4.2Å; Q127-K146 CarbonylContact O-C 3.51Å; Q127-K146 VanDerWaalsContact O-CA 3.24Å; Q127-K146 WeakPolarHBondContact O-CA 3.43Å; Q127-Q147 HydrophobicContact CB-CB 4.39Å; Q127-Q147 PolarHBondContact N-O 2.68Å; Q127-Q147 PolarHBondContact O-N 3.33Å |
| 128 | E | 94.6 | Very high | 75.4 | Confident | 109 Ų | 109 | 92 Ų | 92 | 51% | 0.509 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 120.3 | 169.7 | -171.5 | 165 | 133.6 | 0 | 0 | 109.2 | K146 | E128-K146 IonicContact OE2-NZ 3.71Å; E128-K146 PolarHBondContact OE2-NZ 3.22Å |
| 129 | L | 95.1 | Very high | 78 | Confident | 42 Ų | 42 | 85.1 Ų | 85.1 | 22% | 0.22 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -42.3 | -176.8 | -61.5 | -176.2 | 0 | 0 | 0 | 111.6 | Q127 V145 Q147 R152 Y312 | Q127-L129 HydrophobicContact CG-CD2 4.2Å; L129-V145 HydrophobicContact CB-CB 4.43Å; L129-V145 HydrophobicContact CB-CG1 4.12Å; L129-V145 HydrophobicContact CD1-CG1 4.12Å; L129-V145 PolarHBondContact N-O 2.81Å; L129-Q147 HydrophobicContact CD1-CB 3.98Å; L129-Q147 HydrophobicContact CD2-CB 4.28Å; L129-Q147 HydrophobicContact CG-CB 4.11Å; L129-R152 HydrophobicContact CD1-CG 4.03Å; L129-Y312 HydrophobicContact CB-CD1 4.01Å; L129-Y312 HydrophobicContact CB-CE1 3.84Å; L129-Y312 HydrophobicContact CD1-CD1 4.1Å; L129-Y312 PolarHBondContact O-OH 2.84Å |
| 130 | A | 96.8 | Very high | 80.3 | Confident | 16 Ų | 16 | 79.9 Ų | 79.9 | 13% | 0.132 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 153.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | D144 V145 L308 Y312 | A130-D144 CarbonylContact O-C 3.53Å; A130-D144 WeakPolarHBondContact O-CA 3.48Å; A130-V145 HydrophobicContact CB-CB 4.27Å; A130-V145 PolarHBondContact N-O 2.96Å; A130-V145 PolarHBondContact O-N 3.16Å; A130-L308 HydrophobicContact CB-CD2 3.93Å; A130-Y312 HydrophobicContact CB-CD2 4.19Å; A130-Y312 HydrophobicContact CB-CE2 3.41Å; A130-Y312 VanDerWaalsContact CB-CE2 3.41Å |
| 131 | S | 96.4 | Very high | 83 | Confident | 66 Ų | 66 | 75.1 Ų | 75.1 | 46% | 0.462 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 126.6 | 167.4 | -175.2 | 0 | 0 | 0 | 0 | 109.3 | L143 D144 | S131-L143 WeakPolarHBondContact CA-O 3.37Å; S131-D144 WeakPolarHBondContact CB-OD1 3.23Å; S131-D144 PolarHBondContact OG-OD1 3.29Å |
| 132 | K | 97 | Very high | 86.1 | Confident | 55 Ų | 55 | 74.9 Ų | 74.9 | 24% | 0.239 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 136.2 | 174.9 | -172.8 | 162.3 | 177.6 | 176.1 | 0 | 110.1 | L143 A304 Q307 L308 | K132-L143 HydrophobicContact CB-CB 4.44Å; K132-L143 PolarHBondContact N-O 2.76Å; K132-L143 PolarHBondContact O-N 3.04Å; K132-A304 HydrophobicContact CD-CB 3.77Å; K132-A304 HydrophobicContact CG-CB 4.37Å; K132-Q307 VanDerWaalsContact NZ-CD 3.35Å; K132-L308 HydrophobicContact CB-CD1 4.2Å; K132-L308 HydrophobicContact CB-CD2 4.39Å |
| 133 | R | 96.8 | Very high | 89.1 | Confident | 128 Ų | 128 | 70.7 Ų | 70.7 | 48% | 0.483 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 132.2 | 177.8 | 175.8 | 177.7 | 151.7 | -151.9 | -9.9 | 110.3 | D135 R140 F141 Y142 | R133-D135 WeakPolarHBondContact CG-OD1 3.13Å; R133-D135 IonicContact CZ-OD1 3.47Å; R133-D135 IonicContact CZ-OD2 3.48Å; R133-D135 IonicContact NE-OD1 3.89Å; R133-D135 PolarHBondContact NE-OD1 3.23Å; R133-D135 IonicContact NE-OD2 2.82Å; R133-D135 IonicContact NH2-OD1 2.64Å; R133-D135 PolarHBondContact NH2-OD1 2.87Å; R133-D135 IonicContact NH2-OD2 2.69Å; R133-D135 PolarHBondContact NH2-OD2 3.43Å; R133-R140 VanDerWaalsContact NH2-NE 3.17Å; R133-F141 CarbonylContact C-O 3.58Å; R133-F141 VanDerWaalsContact CA-O 3.32Å; R133-F141 WeakPolarHBondContact CA-O 3.33Å; R133-Y142 HydrophobicContact CB-CD1 4.26Å; R133-Y142 HydrophobicContact CB-CE1 4.33Å; R133-Y142 HydrophobicContact CG-CD1 4.36Å; R133-Y142 HydrophobicContact CG-CE1 4.1Å |
| 134 | V | 97.1 | Very high | 91.6 | Very high | 11 Ų | 11 | 67.4 Ų | 67.4 | 7% | 0.067 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 117.8 | 174.2 | -168.6 | 0 | 0 | 0 | 0 | 108.6 | I136 F141 L143 E300 A304 | V134-I136 HydrophobicContact CG1-CD1 3.78Å; V134-I136 HydrophobicContact CG1-CG1 3.83Å; V134-F141 HydrophobicContact CB-CB 4.4Å; V134-F141 PolarHBondContact N-O 2.82Å; V134-F141 PolarHBondContact O-N 3Å; V134-L143 HydrophobicContact CG2-CD1 4.06Å; V134-E300 HydrophobicContact CG1-CB 3.95Å; V134-A304 HydrophobicContact CG2-CB 3.63Å |
| 135 | D | 94.9 | Very high | 93.7 | Very high | 76 Ų | 76 | 64.7 Ų | 64.7 | 41% | 0.406 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 120.4 | 178.4 | -82.5 | 19.1 | 0 | 0 | 0 | 109.7 | R133 R140 | R133-D135 WeakPolarHBondContact CG-OD1 3.13Å; R133-D135 IonicContact CZ-OD1 3.47Å; R133-D135 IonicContact CZ-OD2 3.48Å; R133-D135 IonicContact NE-OD1 3.89Å; R133-D135 PolarHBondContact NE-OD1 3.23Å; R133-D135 IonicContact NE-OD2 2.82Å; R133-D135 IonicContact NH2-OD1 2.64Å; R133-D135 PolarHBondContact NH2-OD1 2.87Å; R133-D135 IonicContact NH2-OD2 2.69Å; R133-D135 PolarHBondContact NH2-OD2 3.43Å; D135-R140 VanDerWaalsContact OD1-CG 3.26Å; D135-R140 WeakPolarHBondContact OD1-CG 3.27Å; D135-R140 IonicContact OD1-NE 3.41Å; D135-R140 IonicContact OD2-NE 3.42Å; D135-R140 PolarHBondContact OD2-NE 3.16Å |
| 136 | I | 94.2 | Very high | 94.8 | Very high | 8 Ų | 8 | 57.3 Ų | 57.3 | 4% | 0.041 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 112.6 | -176.2 | -56.2 | 166.2 | 0 | 0 | 0 | 108.3 | V134 K138 K139 F141 L293 P294 G297 | V134-I136 HydrophobicContact CG1-CD1 3.78Å; V134-I136 HydrophobicContact CG1-CG1 3.83Å; I136-K138 PolarHBondContact O-N 3.17Å; I136-K138 VanDerWaalsContact O-N 3.12Å; I136-K139 PolarHBondContact N-O 2.79Å; I136-K139 WeakPolarHBondContact O-CB 3.43Å; I136-K139 PolarHBondContact O-N 3.34Å; I136-F141 HydrophobicContact CB-CE2 4.2Å; I136-F141 HydrophobicContact CD1-CD2 3.82Å; I136-F141 HydrophobicContact CD1-CE2 3.86Å; I136-F141 HydrophobicContact CG1-CD2 4.35Å; I136-F141 HydrophobicContact CG1-CE2 4.42Å; I136-L293 HydrophobicContact CD1-CD1 3.31Å; I136-P294 HydrophobicContact CG2-CB 3.8Å; I136-P294 HydrophobicContact CG2-CG 3.73Å; I136-G297 WeakPolarHBondContact CD1-O 2.99Å |
| 137 | Q | 90.3 | Very high | 95 | Very high | 142 Ų | 142 | 56.3 Ų | 56.3 | 66% | 0.664 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | -114.4 | -176.5 | -58 | 179.2 | -14.8 | 0 | 0 | 112.1 | ||
| 138 | K | 88.4 | Confident | 94.8 | Very high | 129 Ų | 129 | 52.3 Ų | 52.3 | 56% | 0.561 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | 19.6 | 178.2 | -63.4 | -179.6 | -179.8 | 178.7 | 0 | 112 | I136 W160 I161 | I136-K138 PolarHBondContact O-N 3.17Å; I136-K138 VanDerWaalsContact O-N 3.12Å; K138-W160 HydrophobicContact CB-CD2 4.27Å; K138-W160 HydrophobicContact CB-CE3 4.43Å; K138-W160 HydrophobicContact CB-CH2 3.65Å; K138-W160 HydrophobicContact CB-CZ2 3.5Å; K138-W160 VanDerWaalsContact CB-CZ2 3.5Å; K138-W160 HydrophobicContact CB-CZ3 4.14Å; K138-W160 HydrophobicContact CD-CH2 4.16Å; K138-W160 HydrophobicContact CD-CZ2 3.62Å; K138-W160 HydrophobicContact CG-CH2 4.45Å; K138-W160 HydrophobicContact CG-CZ2 4.17Å; K138-W160 CarbonylContact O-C 3.57Å; K138-W160 WeakPolarHBondContact O-CA 3.5Å; K138-I161 PolarHBondContact O-N 3.22Å |
| 139 | K | 91.5 | Very high | 94.5 | Very high | 20 Ų | 20 | 52.2 Ų | 52.2 | 9% | 0.087 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 145.9 | 179.6 | -62.7 | -173.6 | -179.5 | -163.1 | 0 | 110.8 | I136 F141 E158 V159 W160 V292 P294 | I136-K139 PolarHBondContact N-O 2.79Å; I136-K139 WeakPolarHBondContact O-CB 3.43Å; I136-K139 PolarHBondContact O-N 3.34Å; K139-F141 HydrophobicContact CB-CD2 4.46Å; K139-F141 HydrophobicContact CB-CE2 3.75Å; K139-F141 HydrophobicContact CB-CZ 4.16Å; K139-F141 HydrophobicContact CD-CE2 4.27Å; K139-F141 HydrophobicContact CD-CZ 3.91Å; K139-E158 HydrophobicContact CD-CG 4.13Å; K139-E158 WeakPolarHBondContact CD-OE1 3.28Å; K139-E158 WeakPolarHBondContact CE-OE1 3.37Å; K139-E158 IonicContact NZ-OE1 3.66Å; K139-E158 PolarHBondContact NZ-OE1 3.22Å; K139-E158 IonicContact NZ-OE2 3.37Å; K139-V159 CarbonylContact C-O 3.51Å; K139-V159 VanDerWaalsContact CA-O 3.32Å; K139-V159 WeakPolarHBondContact CA-O 3.26Å; K139-W160 HydrophobicContact CD-CE3 4.24Å; K139-W160 HydrophobicContact CD-CZ3 4.29Å; K139-W160 HydrophobicContact CG-CE3 3.55Å; K139-W160 HydrophobicContact CG-CZ3 3.77Å; K139-V292 PolarHBondContact NZ-O 3.47Å; K139-P294 HydrophobicContact CD-CG 4.43Å |
| 140 | R | 93.8 | Very high | 94 | Very high | 76 Ų | 76 | 61.5 Ų | 61.5 | 29% | 0.287 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 132.6 | 165.1 | -54.7 | -171.7 | 165.3 | 144 | 1.8 | 108.3 | R133 D135 Y142 V159 I161 | R133-R140 VanDerWaalsContact NH2-NE 3.17Å; D135-R140 VanDerWaalsContact OD1-CG 3.26Å; D135-R140 WeakPolarHBondContact OD1-CG 3.27Å; D135-R140 IonicContact OD1-NE 3.41Å; D135-R140 IonicContact OD2-NE 3.42Å; D135-R140 PolarHBondContact OD2-NE 3.16Å; R140-Y142 HydrophobicContact CB-CE2 3.9Å; R140-V159 PolarHBondContact N-O 3.4Å; R140-V159 PolarHBondContact O-N 3.25Å; R140-I161 HydrophobicContact CG-CD1 3.29Å; R140-I161 HydrophobicContact CG-CG1 3.46Å; R140-I161 VanDerWaalsContact CG-CG1 3.46Å |
| 141 | F | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 126.9 | 170.2 | -62.2 | -90.3 | 0 | 0 | 0 | 108.2 | R133 V134 I136 K139 L143 I156 A157 E158 V292 L293 F301 | R133-F141 CarbonylContact C-O 3.58Å; R133-F141 VanDerWaalsContact CA-O 3.32Å; R133-F141 WeakPolarHBondContact CA-O 3.33Å; V134-F141 HydrophobicContact CB-CB 4.4Å; V134-F141 PolarHBondContact N-O 2.82Å; V134-F141 PolarHBondContact O-N 3Å; I136-F141 HydrophobicContact CB-CE2 4.2Å; I136-F141 HydrophobicContact CD1-CD2 3.82Å; I136-F141 HydrophobicContact CD1-CE2 3.86Å; I136-F141 HydrophobicContact CG1-CD2 4.35Å; I136-F141 HydrophobicContact CG1-CE2 4.42Å; K139-F141 HydrophobicContact CB-CD2 4.46Å; K139-F141 HydrophobicContact CB-CE2 3.75Å; K139-F141 HydrophobicContact CB-CZ 4.16Å; K139-F141 HydrophobicContact CD-CE2 4.27Å; K139-F141 HydrophobicContact CD-CZ 3.91Å; F141-L143 HydrophobicContact CB-CD1 3.9Å; F141-I156 HydrophobicContact CD1-CG2 4.38Å; F141-A157 CarbonylContact C-O 3.58Å; F141-A157 VanDerWaalsContact CA-O 3.28Å; F141-A157 WeakPolarHBondContact CA-O 3.2Å; F141-E158 HydrophobicContact CD1-CB 4.05Å; F141-E158 HydrophobicContact CD1-CG 4.3Å; F141-E158 HydrophobicContact CE1-CB 3.79Å; F141-E158 HydrophobicContact CE1-CG 3.68Å; F141-E158 HydrophobicContact CZ-CG 4.04Å; F141-V292 WeakPolarHBondContact CZ-O 3.32Å; F141-L293 HydrophobicContact CD2-CD1 4.38Å; F141-L293 HydrophobicContact CE1-CD1 4.49Å; F141-L293 HydrophobicContact CE2-CD1 3.92Å; F141-L293 HydrophobicContact CZ-CD1 3.97Å; F141-F301 HydrophobicContact CB-CD2 4.41Å; F141-F301 HydrophobicContact CB-CE2 3.97Å; F141-F301 HydrophobicContact CD1-CE2 4.14Å; F141-F301 HydrophobicContact CG-CD2 4.41Å; F141-F301 HydrophobicContact CG-CE2 4.07Å |
| 142 | Y | 97.3 | Very high | 93.4 | Very high | 71 Ų | 71 | 62.1 Ų | 62.1 | 28% | 0.278 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 123.9 | 170.6 | -60.4 | -90.2 | 0 | 0 | 0 | 107.7 | R133 R140 I156 A157 V159 | R133-Y142 HydrophobicContact CB-CD1 4.26Å; R133-Y142 HydrophobicContact CB-CE1 4.33Å; R133-Y142 HydrophobicContact CG-CD1 4.36Å; R133-Y142 HydrophobicContact CG-CE1 4.1Å; R140-Y142 HydrophobicContact CB-CE2 3.9Å; Y142-I156 CarbonylContact O-C 3.57Å; Y142-I156 VanDerWaalsContact O-CA 3.28Å; Y142-I156 WeakPolarHBondContact O-CA 3.14Å; Y142-A157 PolarHBondContact N-O 2.92Å; Y142-A157 PolarHBondContact O-N 2.77Å; Y142-V159 HydrophobicContact CD2-CG2 4.13Å; Y142-V159 HydrophobicContact CE2-CB 4.31Å; Y142-V159 HydrophobicContact CE2-CG2 3.88Å |
| 143 | L | 97.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 98 | -179.6 | -74.9 | 71.7 | 0 | 0 | 0 | 106.6 | S131 K132 V134 F141 L154 I156 F301 A304 L305 L308 | S131-L143 WeakPolarHBondContact CA-O 3.37Å; K132-L143 HydrophobicContact CB-CB 4.44Å; K132-L143 PolarHBondContact N-O 2.76Å; K132-L143 PolarHBondContact O-N 3.04Å; V134-L143 HydrophobicContact CG2-CD1 4.06Å; F141-L143 HydrophobicContact CB-CD1 3.9Å; L143-L154 HydrophobicContact CB-CD1 4.14Å; L143-I156 HydrophobicContact CG-CG1 4.46Å; L143-F301 HydrophobicContact CD1-CD2 4.44Å; L143-F301 HydrophobicContact CD1-CE2 3.77Å; L143-F301 HydrophobicContact CD1-CZ 4.25Å; L143-F301 HydrophobicContact CD2-CE2 4.3Å; L143-F301 HydrophobicContact CD2-CZ 4.17Å; L143-F301 HydrophobicContact CG-CE2 4.34Å; L143-F301 HydrophobicContact CG-CZ 4.34Å; L143-A304 HydrophobicContact CD2-CB 4.05Å; L143-L305 HydrophobicContact CD2-CD2 3.86Å; L143-L305 HydrophobicContact CD2-CG 4.33Å; L143-L308 HydrophobicContact CB-CD1 3.76Å; L143-L308 HydrophobicContact CD2-CD1 4.07Å |
| 144 | D | 97.3 | Very high | 93.3 | Very high | 21 Ų | 21 | 55.4 Ų | 55.4 | 11% | 0.112 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 114.4 | -177.2 | -51.5 | -35.7 | 0 | 0 | 0 | 109.3 | A130 S131 K146 K155 | A130-D144 CarbonylContact O-C 3.53Å; A130-D144 WeakPolarHBondContact O-CA 3.48Å; S131-D144 WeakPolarHBondContact CB-OD1 3.23Å; S131-D144 PolarHBondContact OG-OD1 3.29Å; D144-K146 HydrophobicContact CB-CG 4.35Å; D144-K155 HydrophobicContact CB-CB 4.41Å; D144-K155 PolarHBondContact N-O 3.07Å; D144-K155 PolarHBondContact O-N 2.81Å |
| 145 | V | 97.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 124.3 | 167.8 | -178.7 | 0 | 0 | 0 | 0 | 107.8 | L129 A130 L154 L178 L308 Y312 | L129-V145 HydrophobicContact CB-CB 4.43Å; L129-V145 HydrophobicContact CB-CG1 4.12Å; L129-V145 HydrophobicContact CD1-CG1 4.12Å; L129-V145 PolarHBondContact N-O 2.81Å; A130-V145 HydrophobicContact CB-CB 4.27Å; A130-V145 PolarHBondContact N-O 2.96Å; A130-V145 PolarHBondContact O-N 3.16Å; V145-L154 HydrophobicContact CG2-CD1 3.91Å; V145-L178 HydrophobicContact CG1-CD1 4.36Å; V145-L308 HydrophobicContact CG2-CB 4.11Å; V145-L308 HydrophobicContact CG2-CD1 4.17Å; V145-L308 HydrophobicContact CG2-CD2 3.88Å; V145-L308 HydrophobicContact CG2-CG 4.28Å; V145-Y312 HydrophobicContact CG1-CG 4.1Å; V145-Y312 HydrophobicContact CG2-CD2 4.43Å |
| 146 | K | 95.8 | Very high | 93.3 | Very high | 29 Ų | 29 | 54.7 Ų | 54.7 | 13% | 0.126 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 152.3 | -176.9 | -66.7 | 179 | -174.9 | -72.3 | 0 | 109.9 | I126 Q127 E128 D144 R152 F153 | I126-K146 HydrophobicContact CG2-CB 3.88Å; I126-K146 HydrophobicContact CG2-CD 4.04Å; I126-K146 HydrophobicContact CG2-CG 4.34Å; Q127-K146 CarbonylContact O-C 3.51Å; Q127-K146 VanDerWaalsContact O-CA 3.24Å; Q127-K146 WeakPolarHBondContact O-CA 3.43Å; E128-K146 IonicContact OE2-NZ 3.71Å; E128-K146 PolarHBondContact OE2-NZ 3.22Å; D144-K146 HydrophobicContact CB-CG 4.35Å; K146-R152 CarbonylContact O-C 3.5Å; K146-R152 WeakPolarHBondContact O-CA 3.39Å; K146-F153 HydrophobicContact CB-CD1 4.26Å; K146-F153 HydrophobicContact CB-CD2 4.35Å; K146-F153 HydrophobicContact CB-CE1 3.66Å; K146-F153 HydrophobicContact CB-CE2 3.8Å; K146-F153 HydrophobicContact CB-CZ 3.43Å; K146-F153 VanDerWaalsContact CB-CZ 3.43Å; K146-F153 HydrophobicContact CD-CE2 3.98Å; K146-F153 HydrophobicContact CD-CZ 3.9Å; K146-F153 HydrophobicContact CG-CE2 4.41Å; K146-F153 HydrophobicContact CG-CZ 4.28Å; K146-F153 PolarHBondContact N-O 2.95Å; K146-F153 PolarHBondContact O-N 3.4Å |
| 147 | Q | 92.9 | Very high | 93.3 | Very high | 72 Ų | 72 | 55.3 Ų | 55.3 | 34% | 0.336 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 132.8 | 174.8 | -176.8 | 166.5 | -23.5 | 0 | 0 | 109.3 | I126 Q127 L129 R152 | I126-Q147 CarbonylContact C-O 3.5Å; I126-Q147 VanDerWaalsContact CA-O 3.24Å; I126-Q147 WeakPolarHBondContact CA-O 3.44Å; Q127-Q147 HydrophobicContact CB-CB 4.39Å; Q127-Q147 PolarHBondContact N-O 2.68Å; Q127-Q147 PolarHBondContact O-N 3.33Å; L129-Q147 HydrophobicContact CD1-CB 3.98Å; L129-Q147 HydrophobicContact CD2-CB 4.28Å; L129-Q147 HydrophobicContact CG-CB 4.11Å; Q147-R152 HydrophobicContact CB-CG 4.39Å; Q147-R152 HydrophobicContact CG-CG 4.36Å |
| 148 | S | 89.8 | Confident | 93.4 | Very high | 27 Ų | 27 | 49.6 Ų | 49.6 | 19% | 0.189 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 174.1 | 170.9 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | R150 G151 | S148-R150 PolarHBondContact O-N 3.47Å; S148-R150 VanDerWaalsContact O-N 3.09Å; S148-G151 PolarHBondContact N-O 3.24Å; S148-G151 PolarHBondContact O-N 2.82Å |
| 149 | S | 87.4 | Confident | 93.5 | Very high | 107 Ų | 107 | 45.6 Ų | 45.6 | 75% | 0.748 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -18.7 | 170.8 | 56 | 0 | 0 | 0 | 0 | 113.6 | ||
| 150 | R | 83.8 | Confident | 93.4 | Very high | 236 Ų | 236 | 48 Ų | 48 | 89% | 0.891 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 2.1 | 175.9 | -63.7 | -179.1 | 61.9 | 112.4 | 5.3 | 114.2 | S148 | S148-R150 PolarHBondContact O-N 3.47Å; S148-R150 VanDerWaalsContact O-N 3.09Å |
| 151 | G | 88.1 | Confident | 92.7 | Very high | 26 Ų | 26 | 47.5 Ų | 47.5 | 27% | 0.268 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 107.4 | -171.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S148 | S148-G151 PolarHBondContact N-O 3.24Å; S148-G151 PolarHBondContact O-N 2.82Å |
| 152 | R | 93.3 | Very high | 91.7 | Very high | 70 Ų | 70 | 49.1 Ų | 49.1 | 26% | 0.264 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 144 | -177.4 | -62.6 | -179.4 | -175 | 166.1 | 5.6 | 111.1 | L129 K146 Q147 L178 Y312 | L129-R152 HydrophobicContact CD1-CG 4.03Å; K146-R152 CarbonylContact O-C 3.5Å; K146-R152 WeakPolarHBondContact O-CA 3.39Å; Q147-R152 HydrophobicContact CB-CG 4.39Å; Q147-R152 HydrophobicContact CG-CG 4.36Å; R152-L178 HydrophobicContact CB-CD1 3.58Å; R152-Y312 PolarHBondContact NH1-O 2.91Å |
| 153 | F | 94.6 | Very high | 89.9 | Confident | 39 Ų | 39 | 58.5 Ų | 58.5 | 17% | 0.171 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 155.2 | 178.6 | 68.5 | -87.5 | 0 | 0 | 0 | 111.8 | I126 K146 K155 T175 L176 | I126-F153 HydrophobicContact CD1-CZ 4.46Å; I126-F153 HydrophobicContact CG2-CE1 4.1Å; I126-F153 HydrophobicContact CG2-CZ 3.91Å; K146-F153 HydrophobicContact CB-CD1 4.26Å; K146-F153 HydrophobicContact CB-CD2 4.35Å; K146-F153 HydrophobicContact CB-CE1 3.66Å; K146-F153 HydrophobicContact CB-CE2 3.8Å; K146-F153 HydrophobicContact CB-CZ 3.43Å; K146-F153 VanDerWaalsContact CB-CZ 3.43Å; K146-F153 HydrophobicContact CD-CE2 3.98Å; K146-F153 HydrophobicContact CD-CZ 3.9Å; K146-F153 HydrophobicContact CG-CE2 4.41Å; K146-F153 HydrophobicContact CG-CZ 4.28Å; K146-F153 PolarHBondContact N-O 2.95Å; K146-F153 PolarHBondContact O-N 3.4Å; F153-K155 HydrophobicContact CE2-CB 4.45Å; F153-T175 HydrophobicContact CD2-CG2 3.64Å; F153-T175 HydrophobicContact CE2-CG2 4.03Å; F153-L176 WeakPolarHBondContact CB-O 3.48Å |
| 154 | L | 96.6 | Very high | 88 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 128.5 | 176.2 | -178.4 | 68.3 | 0 | 0 | 0 | 110.1 | L143 V145 I156 T175 L176 A181 L305 L308 | L143-L154 HydrophobicContact CB-CD1 4.14Å; V145-L154 HydrophobicContact CG2-CD1 3.91Å; L154-I156 HydrophobicContact CD2-CD1 4.22Å; L154-I156 HydrophobicContact CD2-CG1 4.07Å; L154-I156 HydrophobicContact CG-CG1 4.15Å; L154-T175 WeakPolarHBondContact O-CA 3.24Å; L154-L176 HydrophobicContact CB-CG 4.44Å; L154-L176 PolarHBondContact N-O 3.25Å; L154-L176 PolarHBondContact O-N 2.87Å; L154-A181 HydrophobicContact CD2-CB 3.94Å; L154-L305 HydrophobicContact CD2-CD2 3.39Å; L154-L308 HydrophobicContact CD1-CD1 4.17Å |
| 155 | K | 96.3 | Very high | 86.1 | Confident | 72 Ų | 72 | 69.1 Ų | 69.1 | 31% | 0.313 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 120 | 171.7 | -177.1 | -175.2 | 177.6 | -169.1 | 0 | 109.7 | D144 F153 | D144-K155 HydrophobicContact CB-CB 4.41Å; D144-K155 PolarHBondContact N-O 3.07Å; D144-K155 PolarHBondContact O-N 2.81Å; F153-K155 HydrophobicContact CE2-CB 4.45Å |
| 156 | I | 96.3 | Very high | 84.1 | Confident | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 124.7 | 176.3 | -52.6 | 163.2 | 0 | 0 | 0 | 108.4 | F141 Y142 L143 L154 K173 L174 L176 L184 I291 F301 | F141-I156 HydrophobicContact CD1-CG2 4.38Å; Y142-I156 CarbonylContact O-C 3.57Å; Y142-I156 VanDerWaalsContact O-CA 3.28Å; Y142-I156 WeakPolarHBondContact O-CA 3.14Å; L143-I156 HydrophobicContact CG-CG1 4.46Å; L154-I156 HydrophobicContact CD2-CD1 4.22Å; L154-I156 HydrophobicContact CD2-CG1 4.07Å; L154-I156 HydrophobicContact CG-CG1 4.15Å; I156-K173 CarbonylContact O-C 3.53Å; I156-K173 VanDerWaalsContact O-CA 3.23Å; I156-K173 WeakPolarHBondContact O-CA 3.43Å; I156-L174 HydrophobicContact CB-CB 4.38Å; I156-L174 HydrophobicContact CD1-CD2 4.34Å; I156-L174 PolarHBondContact N-O 3Å; I156-L174 PolarHBondContact O-N 3.19Å; I156-L176 HydrophobicContact CD1-CD2 3.68Å; I156-L176 HydrophobicContact CG1-CD2 4.33Å; I156-L184 HydrophobicContact CD1-CD2 4.48Å; I156-I291 HydrophobicContact CB-CD1 4.28Å; I156-I291 HydrophobicContact CD1-CD1 4.07Å; I156-I291 HydrophobicContact CG2-CD1 3.71Å; I156-F301 HydrophobicContact CD1-CE1 4.43Å; I156-F301 HydrophobicContact CD1-CZ 3.95Å; I156-F301 HydrophobicContact CG1-CZ 4.38Å; I156-F301 HydrophobicContact CG2-CE2 4.21Å; I156-F301 HydrophobicContact CG2-CZ 3.94Å |
| 157 | A | 94.6 | Very high | 82 | Confident | 21 Ų | 21 | 82.1 Ų | 82.1 | 17% | 0.174 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 126.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | F141 Y142 | F141-A157 CarbonylContact C-O 3.58Å; F141-A157 VanDerWaalsContact CA-O 3.28Å; F141-A157 WeakPolarHBondContact CA-O 3.2Å; Y142-A157 PolarHBondContact N-O 2.92Å; Y142-A157 PolarHBondContact O-N 2.77Å |
| 158 | E | 92.9 | Very high | 80 | Confident | 22 Ų | 22 | 86 Ų | 86 | 10% | 0.103 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 129 | 174.5 | 179.7 | -171 | 152.3 | 0 | 0 | 110.4 | K139 F141 S172 I291 V292 | K139-E158 HydrophobicContact CD-CG 4.13Å; K139-E158 WeakPolarHBondContact CD-OE1 3.28Å; K139-E158 WeakPolarHBondContact CE-OE1 3.37Å; K139-E158 IonicContact NZ-OE1 3.66Å; K139-E158 PolarHBondContact NZ-OE1 3.22Å; K139-E158 IonicContact NZ-OE2 3.37Å; F141-E158 HydrophobicContact CD1-CB 4.05Å; F141-E158 HydrophobicContact CD1-CG 4.3Å; F141-E158 HydrophobicContact CE1-CB 3.79Å; F141-E158 HydrophobicContact CE1-CG 3.68Å; F141-E158 HydrophobicContact CZ-CG 4.04Å; E158-S172 PolarHBondContact N-O 2.83Å; E158-I291 HydrophobicContact CB-CG2 4.23Å; E158-I291 WeakPolarHBondContact OE2-CA 3.44Å; E158-V292 PolarHBondContact OE2-N 3.23Å |
| 159 | V | 90.8 | Very high | 78.3 | Confident | 44 Ų | 44 | 87.6 Ų | 87.6 | 27% | 0.267 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 127.3 | 178.5 | -177 | 0 | 0 | 0 | 0 | 110.4 | K139 R140 Y142 | K139-V159 CarbonylContact C-O 3.51Å; K139-V159 VanDerWaalsContact CA-O 3.32Å; K139-V159 WeakPolarHBondContact CA-O 3.26Å; R140-V159 PolarHBondContact N-O 3.4Å; R140-V159 PolarHBondContact O-N 3.25Å; Y142-V159 HydrophobicContact CD2-CG2 4.13Å; Y142-V159 HydrophobicContact CE2-CB 4.31Å; Y142-V159 HydrophobicContact CE2-CG2 3.88Å |
| 160 | W | 87.8 | Confident | 77 | Confident | 72 Ų | 72 | 92.6 Ų | 92.6 | 27% | 0.273 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 131.7 | 174.8 | -171.1 | -90.5 | 0 | 0 | 0 | 111.8 | K138 K139 | K138-W160 HydrophobicContact CB-CD2 4.27Å; K138-W160 HydrophobicContact CB-CE3 4.43Å; K138-W160 HydrophobicContact CB-CH2 3.65Å; K138-W160 HydrophobicContact CB-CZ2 3.5Å; K138-W160 VanDerWaalsContact CB-CZ2 3.5Å; K138-W160 HydrophobicContact CB-CZ3 4.14Å; K138-W160 HydrophobicContact CD-CH2 4.16Å; K138-W160 HydrophobicContact CD-CZ2 3.62Å; K138-W160 HydrophobicContact CG-CH2 4.45Å; K138-W160 HydrophobicContact CG-CZ2 4.17Å; K138-W160 CarbonylContact O-C 3.57Å; K138-W160 WeakPolarHBondContact O-CA 3.5Å; K139-W160 HydrophobicContact CD-CE3 4.24Å; K139-W160 HydrophobicContact CD-CZ3 4.29Å; K139-W160 HydrophobicContact CG-CE3 3.55Å; K139-W160 HydrophobicContact CG-CZ3 3.77Å |
| 161 | I | 80.7 | Confident | 76.3 | Confident | 64 Ų | 64 | 89 Ų | 89 | 33% | 0.328 | 43% | 0.431 | S | S | . | . | trans | -104.4 | 85.8 | 176.5 | -32.4 | 157.8 | 0 | 0 | 0 | 108 | K138 R140 | K138-I161 PolarHBondContact O-N 3.22Å; R140-I161 HydrophobicContact CG-CD1 3.29Å; R140-I161 HydrophobicContact CG-CG1 3.46Å; R140-I161 VanDerWaalsContact CG-CG1 3.46Å | ||
| 162 | G | 75.1 | Confident | 76.3 | Confident | 35 Ų | 35 | 89.1 Ų | 89.1 | 36% | 0.361 | 43% | 0.428 | S | S | . | . | trans | -152.7 | 124.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | G164 | G162-G164 PolarHBondContact O-N 3.34Š| ||
| 163 | R | 58.4 | Low | 76.2 | Confident | 267 Ų | 267 | 90.4 Ų | 90.4 | 100% | 1.008 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 120 | 171.5 | -71.1 | -165.1 | -168.7 | -122.7 | 7.1 | 108.1 | ||
| 164 | G | 58 | Low | 76.1 | Confident | 72 Ų | 72 | 88.6 Ų | 88.6 | 74% | 0.742 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 130.2 | -8.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | G162 | G162-G164 PolarHBondContact O-N 3.34Š|
| 165 | R | 57.4 | Low | 76 | Confident | 173 Ų | 173 | 90.3 Ų | 90.3 | 65% | 0.653 | 44% | 0.438 | S | S | * | . | trans | -101.7 | 84.9 | 163.3 | -94 | -166.8 | -176.9 | -176.4 | 0.1 | 108.9 | I169 | R165-I169 HydrophobicContact CB-CD1 4.5Å; R165-I169 HydrophobicContact CB-CG1 4.38Å | ||
| 166 | Q | 55.1 | Low | 75.9 | Confident | 191 Ų | 191 | 87.1 Ų | 87.1 | 89% | 0.893 | 43% | 0.425 | S | S | * | . | trans | -85.9 | 3.7 | 173.7 | -165.4 | 78.2 | -1 | 0 | 0 | 111.1 | ||||
| 167 | D | 51.9 | Low | 75.8 | Confident | 112 Ų | 112 | 88.4 Ų | 88.4 | 60% | 0.599 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -118.5 | 93.8 | -167.5 | 28.8 | -47.5 | 0 | 0 | 0 | 107.8 | I169 | D167-I169 PolarHBondContact O-N 3.37Š|
| 168 | N | 52 | Low | 75.7 | Confident | 153 Ų | 153 | 87.8 Ų | 87.8 | 82% | 0.818 | 43% | 0.427 | S | S | * | . | trans | 47 | 65.7 | 168.2 | -71.1 | -69.9 | 0 | 0 | 0 | 114.8 | R170 | N168-R170 PolarHBondContact O-N 2.97Š| ||
| 169 | I | 53.7 | Low | 75.7 | Confident | 60 Ų | 60 | 88.7 Ų | 88.7 | 31% | 0.308 | 44% | 0.436 | S | S | . | . | trans | -55.7 | 95.5 | 154.7 | -74.5 | 159.6 | 0 | 0 | 0 | 106.2 | R165 D167 K171 | R165-I169 HydrophobicContact CB-CD1 4.5Å; R165-I169 HydrophobicContact CB-CG1 4.38Å; D167-I169 PolarHBondContact O-N 3.37Å; I169-K171 VanDerWaalsContact C-N 3.33Å; I169-K171 PolarHBondContact O-N 2.96Å | ||
| 170 | R | 59.7 | Low | 75.9 | Confident | 212 Ų | 212 | 86.8 Ų | 86.8 | 80% | 0.8 | 42% | 0.424 | S | S | * | . | trans | -53.3 | 106.8 | 164.7 | -66.7 | -178.7 | 179.7 | -173 | -0.7 | 104.8 | N168 S172 | N168-R170 PolarHBondContact O-N 2.97Å; R170-S172 PolarHBondContact O-N 2.88Å | ||
| 171 | K | 68.6 | Low | 76.4 | Confident | 161 Ų | 161 | 83.4 Ų | 83.4 | 70% | 0.7 | 41% | 0.412 | S | S | * | . | trans | -67.3 | 93.4 | 171.7 | -68 | -178.9 | -178 | 179.3 | 0 | 105.3 | I169 K173 | I169-K171 VanDerWaalsContact C-N 3.33Å; I169-K171 PolarHBondContact O-N 2.96Å; K171-K173 PolarHBondContact O-N 3.09Å | ||
| 172 | S | 87.9 | Confident | 77.1 | Confident | 29 Ų | 29 | 81.8 Ų | 81.8 | 20% | 0.203 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 126.5 | 175.1 | -98.6 | 0 | 0 | 0 | 0 | 107.6 | E158 R170 T290 | E158-S172 PolarHBondContact N-O 2.83Å; R170-S172 PolarHBondContact O-N 2.88Å; S172-T290 WeakPolarHBondContact CB-O 3.35Å; S172-T290 PolarHBondContact OG-O 2.98Å |
| 173 | K | 91.2 | Very high | 78.1 | Confident | 97 Ų | 97 | 83.5 Ų | 83.5 | 42% | 0.422 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 147.9 | -178.4 | 67.9 | 175.1 | -177.4 | 176.3 | 0 | 110.2 | I156 K171 Q289 | I156-K173 CarbonylContact O-C 3.53Å; I156-K173 VanDerWaalsContact O-CA 3.23Å; I156-K173 WeakPolarHBondContact O-CA 3.43Å; K171-K173 PolarHBondContact O-N 3.09Å; K173-Q289 WeakPolarHBondContact O-CA 3.24Å |
| 174 | L | 93.9 | Very high | 80 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 138.1 | 174 | -170.6 | 65.6 | 0 | 0 | 0 | 108 | I156 L176 Y252 I267 Q269 Q289 I291 | I156-L174 HydrophobicContact CB-CB 4.38Å; I156-L174 HydrophobicContact CD1-CD2 4.34Å; I156-L174 PolarHBondContact N-O 3Å; I156-L174 PolarHBondContact O-N 3.19Å; L174-L176 HydrophobicContact CB-CD2 4.46Å; L174-L176 HydrophobicContact CD2-CD2 3.83Å; L174-L176 HydrophobicContact CG-CD2 3.77Å; L174-Y252 HydrophobicContact CD1-CD1 4.23Å; L174-Y252 HydrophobicContact CD1-CE1 4.21Å; L174-I267 HydrophobicContact CD2-CB 4.41Å; L174-I267 HydrophobicContact CD2-CG2 3.61Å; L174-Q269 HydrophobicContact CD1-CB 3.59Å; L174-Q289 HydrophobicContact CD1-CB 4.02Å; L174-I291 HydrophobicContact CB-CD1 4.48Å; L174-I291 HydrophobicContact CB-CG2 4.17Å; L174-I291 HydrophobicContact CD2-CD1 4.11Å; L174-I291 HydrophobicContact CD2-CG1 4.28Å |
| 175 | T | 93.6 | Very high | 81.8 | Confident | 39 Ų | 39 | 69.9 Ų | 69.9 | 24% | 0.239 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 118.6 | 177.9 | -59.9 | 0 | 0 | 0 | 0 | 109.2 | F153 L154 Q269 | F153-T175 HydrophobicContact CD2-CG2 3.64Å; F153-T175 HydrophobicContact CE2-CG2 4.03Å; L154-T175 WeakPolarHBondContact O-CA 3.24Å; T175-Q269 PolarHBondContact O-OE1 2.87Å |
| 176 | L | 94.1 | Very high | 83.8 | Confident | 4 Ų | 4 | 65.7 Ų | 65.7 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 158.6 | -173.5 | 55.2 | 141.8 | 0 | 0 | 0 | 110.4 | F153 L154 I156 L174 V180 A181 L184 Y252 | F153-L176 WeakPolarHBondContact CB-O 3.48Å; L154-L176 HydrophobicContact CB-CG 4.44Å; L154-L176 PolarHBondContact N-O 3.25Å; L154-L176 PolarHBondContact O-N 2.87Å; I156-L176 HydrophobicContact CD1-CD2 3.68Å; I156-L176 HydrophobicContact CG1-CD2 4.33Å; L174-L176 HydrophobicContact CB-CD2 4.46Å; L174-L176 HydrophobicContact CD2-CD2 3.83Å; L174-L176 HydrophobicContact CG-CD2 3.77Å; L176-V180 HydrophobicContact CB-CB 4.15Å; L176-V180 HydrophobicContact CB-CG1 3.94Å; L176-V180 HydrophobicContact CD1-CB 4.11Å; L176-V180 HydrophobicContact CD1-CG1 3.81Å; L176-A181 HydrophobicContact CD1-CB 3.68Å; L176-L184 HydrophobicContact CD1-CD2 4.42Å; L176-Y252 HydrophobicContact CB-CE1 4.06Å |
| 177 | S | 93.6 | Very high | 85.8 | Confident | 27 Ų | 27 | 57.3 Ų | 57.3 | 19% | 0.189 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 161.3 | 171.7 | 57.1 | 0 | 0 | 0 | 0 | 110.9 | S179 V180 A181 | S177-S179 VanDerWaalsContact C-N 3.25Å; S177-S179 WeakPolarHBondContact CB-OG 3.33Å; S177-S179 PolarHBondContact O-N 3.18Å; S177-S179 PolarHBondContact OG-OG 3.5Å; S177-V180 PolarHBondContact O-N 2.86Å; S177-V180 VanDerWaalsContact OG-CG2 3.31Å; S177-V180 WeakPolarHBondContact OG-CG2 3.46Å; S177-V180 PolarHBondContact OG-N 2.94Å; S177-A181 PolarHBondContact O-N 3.41Å |
| 178 | L | 93.8 | Very high | 88 | Confident | 9 Ų | 9 | 52 Ų | 52 | 5% | 0.047 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.6 | -32.2 | 174 | -86.8 | 81.2 | 0 | 0 | 0 | 112.1 | V145 R152 V180 A181 A182 Y312 | V145-L178 HydrophobicContact CG1-CD1 4.36Å; R152-L178 HydrophobicContact CB-CD1 3.58Å; L178-V180 PolarHBondContact O-N 2.86Å; L178-A181 WeakPolarHBondContact O-CA 3.35Å; L178-A181 WeakPolarHBondContact O-CB 3.36Å; L178-A181 PolarHBondContact O-N 3.12Å; L178-A182 PolarHBondContact O-N 3.23Å; L178-Y312 VanDerWaalsContact CD2-C 3.48Å; L178-Y312 VanDerWaalsContact CD2-O 3.27Å; L178-Y312 WeakPolarHBondContact CD2-O 3.5Å |
| 179 | S | 92.6 | Very high | 90.2 | Very high | 41 Ų | 41 | 45.4 Ų | 45.4 | 29% | 0.287 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.1 | -47.9 | 171.5 | 42.5 | 0 | 0 | 0 | 0 | 112.8 | S177 A181 A182 E183 | S177-S179 VanDerWaalsContact C-N 3.25Å; S177-S179 WeakPolarHBondContact CB-OG 3.33Å; S177-S179 PolarHBondContact O-N 3.18Å; S177-S179 PolarHBondContact OG-OG 3.5Å; S179-A181 PolarHBondContact O-N 2.93Å; S179-A182 WeakPolarHBondContact O-CB 3.18Å; S179-A182 PolarHBondContact O-N 2.9Å; S179-E183 PolarHBondContact O-N 3.03Å |
| 180 | V | 95.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.7 | -29.7 | 174.9 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | L176 S177 L178 A182 E183 L184 I245 R247 Y252 | L176-V180 HydrophobicContact CB-CB 4.15Å; L176-V180 HydrophobicContact CB-CG1 3.94Å; L176-V180 HydrophobicContact CD1-CB 4.11Å; L176-V180 HydrophobicContact CD1-CG1 3.81Å; S177-V180 PolarHBondContact O-N 2.86Å; S177-V180 VanDerWaalsContact OG-CG2 3.31Å; S177-V180 WeakPolarHBondContact OG-CG2 3.46Å; S177-V180 PolarHBondContact OG-N 2.94Å; L178-V180 PolarHBondContact O-N 2.86Å; V180-A182 VanDerWaalsContact C-N 3.33Å; V180-E183 PolarHBondContact O-N 2.86Å; V180-L184 WeakPolarHBondContact O-CB 3.41Å; V180-L184 PolarHBondContact O-N 3.07Å; V180-I245 HydrophobicContact CG1-CG2 4.06Å; V180-I245 HydrophobicContact CG2-CG2 4.5Å; V180-R247 HydrophobicContact CG2-CB 3.57Å; V180-R247 HydrophobicContact CG2-CG 3.78Å; V180-Y252 HydrophobicContact CG1-CD2 3.87Å; V180-Y252 HydrophobicContact CG1-CE1 4.48Å; V180-Y252 HydrophobicContact CG1-CE2 3.72Å; V180-Y252 HydrophobicContact CG1-CG 4.34Å; V180-Y252 HydrophobicContact CG2-CE2 4.15Å |
| 181 | A | 96.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 36 Ų | 36 | 2% | 0.017 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68 | -35 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L154 L176 S177 L178 S179 L184 K185 I309 | L154-A181 HydrophobicContact CD2-CB 3.94Å; L176-A181 HydrophobicContact CD1-CB 3.68Å; S177-A181 PolarHBondContact O-N 3.41Å; L178-A181 WeakPolarHBondContact O-CA 3.35Å; L178-A181 WeakPolarHBondContact O-CB 3.36Å; L178-A181 PolarHBondContact O-N 3.12Å; S179-A181 PolarHBondContact O-N 2.93Å; A181-L184 PolarHBondContact O-N 2.83Å; A181-K185 PolarHBondContact O-N 2.78Å; A181-I309 HydrophobicContact CB-CD1 4.45Å |
| 182 | A | 95.8 | Very high | 95.4 | Very high | 30 Ų | 30 | 29.9 Ų | 29.9 | 25% | 0.248 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.6 | -45.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | L178 S179 V180 L184 K185 D186 I309 | L178-A182 PolarHBondContact O-N 3.23Å; S179-A182 WeakPolarHBondContact O-CB 3.18Å; S179-A182 PolarHBondContact O-N 2.9Å; V180-A182 VanDerWaalsContact C-N 3.33Å; A182-L184 VanDerWaalsContact C-N 3.33Å; A182-L184 PolarHBondContact O-N 2.84Å; A182-K185 WeakPolarHBondContact O-CB 3.31Å; A182-K185 PolarHBondContact O-N 2.76Å; A182-D186 PolarHBondContact O-N 3.38Å; A182-I309 HydrophobicContact CB-CD1 4.27Å |
| 183 | E | 96.9 | Very high | 95.8 | Very high | 70 Ų | 70 | 34.3 Ų | 34.3 | 33% | 0.327 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.3 | -41 | 173.8 | -65.7 | -179.5 | -127.5 | 0 | 0 | 111.4 | S179 V180 K185 D186 C187 I245 | S179-E183 PolarHBondContact O-N 3.03Å; V180-E183 PolarHBondContact O-N 2.86Å; E183-K185 VanDerWaalsContact C-N 3.33Å; E183-K185 PolarHBondContact O-N 3.06Å; E183-D186 PolarHBondContact O-N 3.12Å; E183-D186 VanDerWaalsContact O-N 3.13Å; E183-C187 PolarHBondContact O-N 2.69Å; E183-C187 PolarHBondContact O-SG 3.06Å; E183-I245 HydrophobicContact CB-CD1 3.91Å; E183-I245 HydrophobicContact CB-CG1 4.18Å; E183-I245 HydrophobicContact CB-CG2 4.22Å; E183-I245 WeakPolarHBondContact OE2-CG2 3.33Å |
| 184 | L | 97.8 | Very high | 96 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.6 | -40.8 | 175.6 | 174.3 | 61.6 | 0 | 0 | 0 | 112.3 | I156 L176 V180 A181 A182 D186 L188 I245 L254 I267 L305 | I156-L184 HydrophobicContact CD1-CD2 4.48Å; L176-L184 HydrophobicContact CD1-CD2 4.42Å; V180-L184 WeakPolarHBondContact O-CB 3.41Å; V180-L184 PolarHBondContact O-N 3.07Å; A181-L184 PolarHBondContact O-N 2.83Å; A182-L184 VanDerWaalsContact C-N 3.33Å; A182-L184 PolarHBondContact O-N 2.84Å; L184-D186 VanDerWaalsContact C-N 3.29Å; L184-D186 PolarHBondContact O-N 2.63Å; L184-L188 HydrophobicContact CD1-CD1 4.36Å; L184-L188 HydrophobicContact CD1-CG 4.27Å; L184-L188 HydrophobicContact CG-CD1 4.2Å; L184-L188 WeakPolarHBondContact O-CB 3.37Å; L184-L188 VanDerWaalsContact O-CG 3.25Å; L184-L188 WeakPolarHBondContact O-CG 3.31Å; L184-L188 PolarHBondContact O-N 2.78Å; L184-I245 HydrophobicContact CB-CD1 4.05Å; L184-L254 HydrophobicContact CD1-CD2 3.51Å; L184-L254 HydrophobicContact CD1-CG 4.5Å; L184-I267 HydrophobicContact CD1-CD1 3.91Å; L184-I267 HydrophobicContact CD2-CD1 4.48Å; L184-L305 HydrophobicContact CD2-CD1 4.01Å; L184-L305 HydrophobicContact CG-CD1 4.01Å |
| 185 | K | 97 | Very high | 96.1 | Very high | 49 Ų | 49 | 35.7 Ų | 35.7 | 21% | 0.213 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.6 | -43.3 | 174.2 | 158.7 | -163.1 | 152.9 | -94.8 | 0 | 111 | A181 A182 E183 L188 G189 R302 L305 V306 I309 | A181-K185 PolarHBondContact O-N 2.78Å; A182-K185 WeakPolarHBondContact O-CB 3.31Å; A182-K185 PolarHBondContact O-N 2.76Å; E183-K185 VanDerWaalsContact C-N 3.33Å; E183-K185 PolarHBondContact O-N 3.06Å; K185-L188 PolarHBondContact O-N 2.88Å; K185-G189 PolarHBondContact O-N 2.86Å; K185-R302 HydrophobicContact CG-CG 4.42Å; K185-L305 HydrophobicContact CB-CB 4.33Å; K185-L305 HydrophobicContact CB-CD1 4.48Å; K185-V306 HydrophobicContact CD-CG2 3.64Å; K185-V306 HydrophobicContact CG-CG2 3.89Å; K185-I309 HydrophobicContact CB-CD1 4.06Å; K185-I309 HydrophobicContact CD-CD1 3.96Å |
| 186 | D | 97.6 | Very high | 96.2 | Very high | 86 Ų | 86 | 36.6 Ų | 36.6 | 46% | 0.46 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -71.3 | -47.6 | -177.5 | -63.9 | -23.1 | 0 | 0 | 0 | 110.8 | A182 E183 L184 L188 G189 D190 | A182-D186 PolarHBondContact O-N 3.38Å; E183-D186 PolarHBondContact O-N 3.12Å; E183-D186 VanDerWaalsContact O-N 3.13Å; L184-D186 VanDerWaalsContact C-N 3.29Å; L184-D186 PolarHBondContact O-N 2.63Å; D186-L188 PolarHBondContact O-N 2.85Å; D186-G189 WeakPolarHBondContact O-CA 3.39Å; D186-G189 PolarHBondContact O-N 3.37Å; D186-D190 PolarHBondContact O-N 2.84Å |
| 187 | C | 97.9 | Very high | 96.1 | Very high | 15 Ų | 15 | 41.8 Ų | 41.8 | 10% | 0.101 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -54.6 | -40.9 | 172.6 | -69.2 | 0 | 0 | 0 | 0 | 112 | E183 G189 D190 F191 D243 L254 | E183-C187 PolarHBondContact O-N 2.69Å; E183-C187 PolarHBondContact O-SG 3.06Å; C187-G189 VanDerWaalsContact C-N 3.26Å; C187-G189 PolarHBondContact O-N 3.03Å; C187-D190 PolarHBondContact O-N 2.82Å; C187-D190 VanDerWaalsContact O-N 3.14Å; C187-F191 HydrophobicContact CB-CE2 4.41Å; C187-F191 WeakPolarHBondContact O-CD2 3.48Å; C187-F191 PolarHBondContact O-N 3.42Å; C187-D243 PolarHBondContact SG-OD2 2.84Å; C187-L254 HydrophobicContact CB-CD2 3.99Å |
| 188 | L | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.5 | -36 | 176.6 | -80.1 | 167.8 | 0 | 0 | 0 | 112.2 | L184 K185 D186 F191 I192 L265 L293 M298 F301 R302 L305 | L184-L188 HydrophobicContact CD1-CD1 4.36Å; L184-L188 HydrophobicContact CD1-CG 4.27Å; L184-L188 HydrophobicContact CG-CD1 4.2Å; L184-L188 WeakPolarHBondContact O-CB 3.37Å; L184-L188 VanDerWaalsContact O-CG 3.25Å; L184-L188 WeakPolarHBondContact O-CG 3.31Å; L184-L188 PolarHBondContact O-N 2.78Å; K185-L188 PolarHBondContact O-N 2.88Å; D186-L188 PolarHBondContact O-N 2.85Å; L188-F191 PolarHBondContact O-N 3.28Å; L188-I192 WeakPolarHBondContact O-CB 3.45Å; L188-I192 VanDerWaalsContact O-CD1 3.26Å; L188-I192 WeakPolarHBondContact O-CD1 3.45Å; L188-I192 WeakPolarHBondContact O-CG1 3.32Å; L188-I192 PolarHBondContact O-N 3.09Å; L188-L265 HydrophobicContact CD2-CD2 3.51Å; L188-L293 HydrophobicContact CD2-CD2 4.24Å; L188-M298 HydrophobicContact CD2-CB 4.43Å; L188-M298 HydrophobicContact CD2-CG 4.42Å; L188-F301 HydrophobicContact CD1-CD1 3.86Å; L188-F301 HydrophobicContact CD1-CE1 4.5Å; L188-R302 HydrophobicContact CB-CB 4.24Å; L188-R302 HydrophobicContact CB-CG 4.42Å; L188-R302 HydrophobicContact CD1-CB 4.29Å; L188-L305 HydrophobicContact CD1-CD1 3.75Å |
| 189 | G | 97.7 | Very high | 95.1 | Very high | 15 Ų | 15 | 44.3 Ų | 44.3 | 16% | 0.155 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -55 | -52.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | K185 D186 C187 F191 I192 E193 | K185-G189 PolarHBondContact O-N 2.86Å; D186-G189 WeakPolarHBondContact O-CA 3.39Å; D186-G189 PolarHBondContact O-N 3.37Å; C187-G189 VanDerWaalsContact C-N 3.26Å; C187-G189 PolarHBondContact O-N 3.03Å; G189-F191 VanDerWaalsContact C-N 3.29Å; G189-F191 PolarHBondContact O-N 3.3Å; G189-I192 PolarHBondContact O-N 3.05Å; G189-I192 VanDerWaalsContact O-N 3.15Å; G189-E193 PolarHBondContact O-N 3.01Å |
| 190 | D | 97.6 | Very high | 94.2 | Very high | 75 Ų | 75 | 48.5 Ų | 48.5 | 40% | 0.401 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.6 | -30.7 | -179.3 | -55.7 | -23.9 | 0 | 0 | 0 | 112.9 | D186 C187 H194 K241 | D186-D190 PolarHBondContact O-N 2.84Å; C187-D190 PolarHBondContact O-N 2.82Å; C187-D190 VanDerWaalsContact O-N 3.14Å; D190-H194 WeakPolarHBondContact O-CB 3.5Å; D190-H194 PolarHBondContact O-N 3.23Å; D190-H194 VanDerWaalsContact O-N 3.15Å; D190-K241 VanDerWaalsContact C-NZ 3.27Å; D190-K241 PolarHBondContact O-NZ 3.28Å |
| 191 | F | 97.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -72.4 | -39.1 | 174.3 | -79.8 | -71 | 0 | 0 | 0 | 112.2 | C187 L188 G189 H194 Y195 K241 D243 L254 L256 L265 M298 | C187-F191 HydrophobicContact CB-CE2 4.41Å; C187-F191 WeakPolarHBondContact O-CD2 3.48Å; C187-F191 PolarHBondContact O-N 3.42Å; L188-F191 PolarHBondContact O-N 3.28Å; G189-F191 VanDerWaalsContact C-N 3.29Å; G189-F191 PolarHBondContact O-N 3.3Å; F191-H194 PolarHBondContact O-N 3.44Å; F191-Y195 VanDerWaalsContact O-CB 3.27Å; F191-Y195 WeakPolarHBondContact O-CB 3.31Å; F191-Y195 PolarHBondContact O-N 2.93Å; F191-K241 HydrophobicContact CD1-CB 4.17Å; F191-K241 HydrophobicContact CD1-CD 3.74Å; F191-K241 HydrophobicContact CD1-CG 4.01Å; F191-K241 HydrophobicContact CE1-CB 3.76Å; F191-K241 HydrophobicContact CE1-CD 3.74Å; F191-K241 HydrophobicContact CE1-CG 3.52Å; F191-K241 HydrophobicContact CZ-CG 4.26Å; F191-D243 HydrophobicContact CE2-CB 3.86Å; F191-D243 HydrophobicContact CZ-CB 3.7Å; F191-L254 HydrophobicContact CE2-CB 3.75Å; F191-L254 HydrophobicContact CE2-CD2 3.92Å; F191-L254 HydrophobicContact CZ-CB 3.85Å; F191-L256 HydrophobicContact CD1-CB 3.73Å; F191-L256 HydrophobicContact CD1-CD2 4.23Å; F191-L256 HydrophobicContact CE1-CB 3.77Å; F191-L265 HydrophobicContact CD1-CD1 4.03Å; F191-L265 HydrophobicContact CD2-CD1 4.17Å; F191-L265 HydrophobicContact CD2-CD2 4.47Å; F191-L265 HydrophobicContact CE1-CD1 3.92Å; F191-L265 HydrophobicContact CE2-CD1 4.12Å; F191-L265 HydrophobicContact CG-CD1 4.16Å; F191-L265 HydrophobicContact CZ-CD1 3.99Å; F191-M298 HydrophobicContact CB-SD 4.18Å |
| 192 | I | 97.1 | Very high | 90.7 | Very high | 32 Ų | 32 | 59.6 Ų | 59.6 | 16% | 0.164 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 176.3 | -70.1 | 157.8 | 0 | 0 | 0 | 109.9 | L188 G189 H194 Y195 A196 M298 I299 R302 | L188-I192 WeakPolarHBondContact O-CB 3.45Å; L188-I192 VanDerWaalsContact O-CD1 3.26Å; L188-I192 WeakPolarHBondContact O-CD1 3.45Å; L188-I192 WeakPolarHBondContact O-CG1 3.32Å; L188-I192 PolarHBondContact O-N 3.09Å; G189-I192 PolarHBondContact O-N 3.05Å; G189-I192 VanDerWaalsContact O-N 3.15Å; I192-H194 PolarHBondContact O-N 3.03Å; I192-Y195 PolarHBondContact O-N 3.18Å; I192-A196 PolarHBondContact O-N 3.23Å; I192-M298 HydrophobicContact CD1-CB 4.26Å; I192-M298 HydrophobicContact CG1-CB 3.74Å; I192-M298 HydrophobicContact CG1-CE 4.31Å; I192-I299 HydrophobicContact CD1-CB 4.49Å; I192-I299 HydrophobicContact CD1-CG1 3.89Å; I192-I299 HydrophobicContact CG1-CG1 4.03Å; I192-I299 HydrophobicContact CG2-CD1 4.16Å; I192-I299 HydrophobicContact CG2-CG1 3.87Å; I192-R302 HydrophobicContact CD1-CB 4.19Å |
| 193 | E | 96.6 | Very high | 88.3 | Confident | 121 Ų | 121 | 66.4 Ų | 66.4 | 57% | 0.565 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -59.6 | -48.4 | 176.3 | -71.3 | -178.5 | -173.4 | 0 | 0 | 111.4 | G189 Y195 A196 H197 | G189-E193 PolarHBondContact O-N 3.01Å; E193-Y195 VanDerWaalsContact C-N 3.32Å; E193-Y195 PolarHBondContact O-N 3.46Å; E193-A196 PolarHBondContact O-N 2.95Å; E193-H197 PolarHBondContact O-N 3.28Å; E193-H197 PolarHBondContact O-ND1 3.13Å |
| 194 | H | 95.8 | Very high | 85.9 | Confident | 61 Ų | 61 | 74 Ų | 74 | 28% | 0.282 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 177.3 | -175.5 | 82.4 | 0 | 0 | 0 | 112.1 | D190 F191 I192 A196 H197 L198 K241 | D190-H194 WeakPolarHBondContact O-CB 3.5Å; D190-H194 PolarHBondContact O-N 3.23Å; D190-H194 VanDerWaalsContact O-N 3.15Å; F191-H194 PolarHBondContact O-N 3.44Å; I192-H194 PolarHBondContact O-N 3.03Å; H194-A196 PolarHBondContact O-N 3.37Å; H194-H197 PolarHBondContact O-N 2.82Å; H194-L198 WeakPolarHBondContact O-CG 3.49Å; H194-L198 PolarHBondContact O-N 3.48Å; H194-L198 VanDerWaalsContact O-N 3.13Å; H194-K241 HydrophobicContact CB-CD 3.91Å |
| 195 | Y | 95.1 | Very high | 83.4 | Confident | 67 Ų | 67 | 82.7 Ų | 82.7 | 26% | 0.263 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 178 | 178.8 | -102.4 | 0 | 0 | 0 | 112.7 | F191 I192 E193 H197 L198 G199 R263 A295 M298 | F191-Y195 VanDerWaalsContact O-CB 3.27Å; F191-Y195 WeakPolarHBondContact O-CB 3.31Å; F191-Y195 PolarHBondContact O-N 2.93Å; I192-Y195 PolarHBondContact O-N 3.18Å; E193-Y195 VanDerWaalsContact C-N 3.32Å; E193-Y195 PolarHBondContact O-N 3.46Å; Y195-H197 VanDerWaalsContact C-N 3.34Å; Y195-H197 PolarHBondContact O-N 3.4Å; Y195-L198 PolarHBondContact O-N 3.26Å; Y195-G199 PolarHBondContact O-N 3.44Å; Y195-R263 HydrophobicContact CE2-CB 4.02Å; Y195-R263 HydrophobicContact CE2-CG 4.37Å; Y195-A295 HydrophobicContact CD2-CB 3.79Å; Y195-A295 HydrophobicContact CE2-CB 3.46Å; Y195-A295 VanDerWaalsContact CE2-CB 3.46Å; Y195-A295 HydrophobicContact CG-CB 4.45Å; Y195-M298 HydrophobicContact CD1-CE 4.28Å; Y195-M298 HydrophobicContact CD2-CE 4.44Å; Y195-M298 HydrophobicContact CG-CE 3.92Å |
| 196 | A | 94.8 | Very high | 81 | Confident | 57 Ų | 57 | 89 Ų | 89 | 47% | 0.471 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I192 E193 H194 L198 G199 | I192-A196 PolarHBondContact O-N 3.23Å; E193-A196 PolarHBondContact O-N 2.95Å; H194-A196 PolarHBondContact O-N 3.37Å; A196-L198 VanDerWaalsContact C-N 3.33Å; A196-L198 PolarHBondContact O-N 3.07Å; A196-G199 PolarHBondContact O-N 3.49Å |
| 197 | H | 93.1 | Very high | 78.6 | Confident | 114 Ų | 114 | 94.6 Ų | 94.6 | 53% | 0.528 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.4 | -34 | 176.7 | -68.7 | 99 | 0 | 0 | 0 | 113.2 | E193 H194 Y195 G199 L200 K201 | E193-H197 PolarHBondContact O-N 3.28Å; E193-H197 PolarHBondContact O-ND1 3.13Å; H194-H197 PolarHBondContact O-N 2.82Å; Y195-H197 VanDerWaalsContact C-N 3.34Å; Y195-H197 PolarHBondContact O-N 3.4Å; H197-G199 VanDerWaalsContact C-N 3.31Å; H197-L200 PolarHBondContact O-N 3.3Å; H197-K201 PolarHBondContact O-N 3.45Å |
| 198 | L | 89.3 | Confident | 75.4 | Confident | 34 Ų | 34 | 97.6 Ų | 97.6 | 18% | 0.178 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -68.4 | -30 | 175.5 | -68.1 | 172.9 | 0 | 0 | 0 | 112.5 | H194 Y195 A196 L200 L240 | H194-L198 WeakPolarHBondContact O-CG 3.49Å; H194-L198 PolarHBondContact O-N 3.48Å; H194-L198 VanDerWaalsContact O-N 3.13Å; Y195-L198 PolarHBondContact O-N 3.26Å; A196-L198 VanDerWaalsContact C-N 3.33Å; A196-L198 PolarHBondContact O-N 3.07Å; L198-L200 VanDerWaalsContact C-N 3.29Å; L198-L200 PolarHBondContact O-N 3.15Å; L198-L240 HydrophobicContact CD1-CB 4.32Å; L198-L240 HydrophobicContact CD1-CD1 3.74Å; L198-L240 HydrophobicContact CD1-CD2 4.48Å; L198-L240 HydrophobicContact CD1-CG 4.41Å |
| 199 | G | 77.8 | Confident | 72.9 | Confident | 54 Ų | 54 | 107.2 Ų | 107.2 | 56% | 0.557 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.8 | -32.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y195 A196 H197 | Y195-G199 PolarHBondContact O-N 3.44Å; A196-G199 PolarHBondContact O-N 3.49Å; H197-G199 VanDerWaalsContact C-N 3.31Å |
| 200 | L | 72.1 | Confident | 69.6 | Low | 130 Ų | 130 | 112.1 Ų | 112.1 | 68% | 0.681 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -82 | -28.3 | -179.6 | -62 | 173.9 | 0 | 0 | 0 | 113.2 | H197 L198 | H197-L200 PolarHBondContact O-N 3.3Å; L198-L200 VanDerWaalsContact C-N 3.29Å; L198-L200 PolarHBondContact O-N 3.15Å |
| 201 | K | 62.6 | Low | 67.2 | Low | 164 Ų | 164 | 117.8 Ų | 117.8 | 71% | 0.713 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -76.7 | -21.6 | -178.8 | -74.1 | -178.1 | 177 | 179.7 | 0 | 114 | H197 H203 | H197-K201 PolarHBondContact O-N 3.45Å; K201-H203 PolarHBondContact O-N 2.8Å |
| 202 | G | 55.8 | Low | 64.1 | Low | 74 Ų | 74 | 127.1 Ų | 127.1 | 76% | 0.763 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -10.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 203 | H | 46.5 | Very low | 61.6 | Low | 173 Ų | 173 | 134.9 Ų | 134.9 | 80% | 0.801 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | 8.4 | -175.1 | -158 | -68.3 | 0 | 0 | 0 | 114 | K201 | K201-H203 PolarHBondContact O-N 2.8Š|
| 204 | R | 45.7 | Very low | 58.7 | Low | 230 Ų | 230 | 132.6 Ų | 132.6 | 87% | 0.868 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -114.2 | 24.2 | -178.2 | -79.9 | -169.9 | 85.2 | 166.6 | 5.7 | 115.3 | ||
| 205 | Q | 46.7 | Very low | 56 | Low | 185 Ų | 185 | 135.9 Ų | 135.9 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -130.6 | 42.3 | 178.9 | -143 | 173.1 | 20.2 | 0 | 0 | 114.6 | ||
| 206 | E | 46.6 | Very low | 53.6 | Low | 181 Ų | 181 | 144.5 Ų | 144.5 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -152.5 | 79.8 | 155.7 | -84.3 | -152.8 | 136.2 | 0 | 0 | 110.4 | ||
| 207 | H | 45.4 | Very low | 51 | Low | 204 Ų | 204 | 152.7 Ų | 152.7 | 94% | 0.944 | 78% | 0.783 | S | S | * | * | trans | 173.3 | 112.7 | 142.9 | -96.7 | 6.6 | 0 | 0 | 0 | 110.1 | ||||
| 208 | G | 32.1 | Very low | 48.3 | Very low | 79 Ų | 79 | 157.8 Ų | 157.8 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | trans | 167.9 | 37.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S210 | G208-S210 PolarHBondContact O-N 3.18Š| ||
| 209 | H | 44.2 | Very low | 46.2 | Very low | 201 Ų | 201 | 164.5 Ų | 164.5 | 93% | 0.931 | 83% | 0.828 | S | S | * | * | trans | -74.9 | 105.5 | 159.3 | -114.3 | -65 | 0 | 0 | 0 | 107.4 | ||||
| 210 | S | 29.8 | Very low | 44.2 | Very low | 119 Ų | 119 | 171.8 Ų | 171.8 | 83% | 0.832 | 85% | 0.845 | S | S | * | * | trans | -139.4 | 132.8 | 154.1 | -166.1 | 0 | 0 | 0 | 0 | 110.2 | G208 | G208-S210 PolarHBondContact O-N 3.18Š| ||
| 211 | K | 45.8 | Very low | 42.5 | Very low | 193 Ų | 193 | 173.8 Ų | 173.8 | 84% | 0.839 | 85% | 0.85 | S | S | * | * | trans | -64.4 | 142.5 | -175.9 | -65.6 | 163.8 | 171.8 | 173.7 | 0 | 110.7 | ||||
| 212 | E | 34.5 | Very low | 41.2 | Very low | 197 Ų | 197 | 171.8 Ų | 171.8 | 92% | 0.921 | 86% | 0.857 | S | S | * | * | trans | -148.3 | 121.9 | 134.6 | -132.8 | 173 | -172.8 | 0 | 0 | 111.3 | ||||
| 213 | Q | 42.8 | Very low | 40.5 | Very low | 194 Ų | 194 | 172.6 Ų | 172.6 | 91% | 0.907 | 86% | 0.857 | S | S | * | * | trans | -79.3 | 146.5 | 174 | -76 | 174.9 | -27.4 | 0 | 0 | 109.8 | ||||
| 214 | G | 36 | Very low | 40.3 | Very low | 73 Ų | 73 | 170.5 Ų | 170.5 | 75% | 0.753 | 86% | 0.858 | S | S | * | * | trans | 126.1 | 92 | 139.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 215 | S | 40.1 | Very low | 39.9 | Very low | 130 Ų | 130 | 164.9 Ų | 164.9 | 91% | 0.909 | 85% | 0.854 | S | S | * | * | -170.3 | 127.3 | 118.8 | -91.6 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 216 | R | 45.2 | Very low | 40.2 | Very low | 249 Ų | 249 | 161.8 Ų | 161.8 | 94% | 0.94 | 85% | 0.85 | S | S | * | * | trans | -69.2 | 132 | 176.8 | -63.9 | 167.3 | 171.4 | 170.6 | -4.1 | 110.4 | ||||
| 217 | R | 39.3 | Very low | 40.4 | Very low | 228 Ų | 228 | 158.4 Ų | 158.4 | 86% | 0.86 | 84% | 0.844 | S | S | * | * | trans | -158.8 | 102.9 | 142.9 | -149.8 | 168.3 | 176.8 | -170.9 | -2.5 | 114.4 | ||||
| 218 | R | 37.1 | Very low | 40 | Very low | 221 Ų | 221 | 155 Ų | 155 | 83% | 0.834 | 84% | 0.837 | S | S | * | * | trans | 69.2 | 108.5 | 138.5 | -160.4 | 171.8 | 171.3 | -166.9 | -0.9 | 119.9 | ||||
| 219 | Q | 44.4 | Very low | 40.9 | Very low | 176 Ų | 176 | 157.2 Ų | 157.2 | 82% | 0.822 | 84% | 0.84 | S | S | * | * | trans | -57.9 | 139.5 | 163.1 | -72.7 | 167.7 | -49.4 | 0 | 0 | 113.2 | ||||
| 220 | K | 36.3 | Very low | 41 | Very low | 206 Ų | 206 | 154 Ų | 154 | 90% | 0.896 | 83% | 0.834 | S | S | * | * | trans | -152.5 | 136.3 | 142.4 | -150.2 | 175.4 | -177.6 | -172.2 | 0 | 109.9 | ||||
| 221 | H | 36.5 | Very low | 41.1 | Very low | 172 Ų | 172 | 151.8 Ų | 151.8 | 80% | 0.796 | 83% | 0.83 | S | S | * | * | trans | -74.6 | 143.8 | -163.9 | -61 | -97.4 | 0 | 0 | 0 | 115.4 | ||||
| 222 | S | 34.9 | Very low | 41 | Very low | 123 Ų | 123 | 147.7 Ų | 147.7 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | trans | -150.6 | 147.3 | 143.4 | 47.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 223 | A | 41.1 | Very low | 41.2 | Very low | 91 Ų | 91 | 146.1 Ų | 146.1 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 167.2 | -155.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 224 | P | 41.8 | Very low | 41.2 | Very low | 129 Ų | 129 | 144.3 Ų | 144.3 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 135 | -168.5 | 34 | -29.4 | 0 | 0 | 0 | 112.3 | ||
| 225 | S | 38.2 | Very low | 41.7 | Very low | 111 Ų | 111 | 147.7 Ų | 147.7 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 149.7 | 166.1 | -52.8 | 0 | 0 | 0 | 0 | 110.1 | ||
| 226 | P | 52.5 | Low | 42.3 | Very low | 120 Ų | 120 | 146.8 Ų | 146.8 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 151.7 | -166.4 | 28.7 | -34.5 | 0 | 0 | 0 | 112.9 | ||
| 227 | P | 50.7 | Low | 43.3 | Very low | 111 Ų | 111 | 139 Ų | 139 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 160.6 | 171.6 | 35.7 | -32.3 | 0 | 0 | 0 | 110.1 | ||
| 228 | V | 37.4 | Very low | 45.6 | Very low | 133 Ų | 133 | 130.8 Ų | 130.8 | 81% | 0.806 | 75% | 0.748 | S | S | * | * | trans | 101.1 | 69.9 | 170.1 | -44.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 229 | S | 51.2 | Low | 48.2 | Very low | 124 Ų | 124 | 124 Ų | 124 | 87% | 0.867 | 73% | 0.731 | S | S | * | * | trans | -140.8 | 72 | 144.2 | -78.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 230 | V | 44.7 | Very low | 50.6 | Low | 134 Ų | 134 | 117.9 Ų | 117.9 | 81% | 0.812 | 70% | 0.704 | S | S | * | * | trans | -134.8 | 54 | 162.4 | -71.7 | 0 | 0 | 0 | 0 | 108.7 | S232 | V230-S232 PolarHBondContact O-N 2.64Š| ||
| 231 | G | 33.3 | Very low | 53.5 | Low | 72 Ų | 72 | 110.5 Ų | 110.5 | 74% | 0.742 | 67% | 0.672 | S | S | * | * | trans | -77.7 | 86.8 | 144.1 | 0 | 0 | 0 | 0 | 0 | 105.4 | E233 | G231-E233 PolarHBondContact O-N 3.41Š| ||
| 232 | S | 43.3 | Very low | 56.4 | Low | 108 Ų | 108 | 105.8 Ų | 105.8 | 76% | 0.755 | 66% | 0.656 | S | S | * | * | trans | -57.1 | 101.4 | 161.5 | -68.8 | 0 | 0 | 0 | 0 | 105.6 | V230 E234 | V230-S232 PolarHBondContact O-N 2.64Å; S232-E234 VanDerWaalsContact C-N 3.29Å; S232-E234 PolarHBondContact O-N 3.42Å | ||
| 233 | E | 38.5 | Very low | 59.4 | Low | 163 Ų | 163 | 102 Ų | 102 | 76% | 0.762 | 63% | 0.626 | S | S | * | * | trans | -54.9 | 108.1 | 158.8 | -69.6 | -157.1 | 119.3 | 0 | 0 | 105.1 | G231 H235 | G231-E233 PolarHBondContact O-N 3.41Å; E233-H235 PolarHBondContact O-N 2.71Å; E233-H235 PolarHBondContact O-ND1 2.8Å | ||
| 234 | E | 42.9 | Very low | 62 | Low | 157 Ų | 157 | 104.2 Ų | 104.2 | 73% | 0.734 | 62% | 0.616 | S | S | * | * | trans | -57.3 | 89.6 | 170.1 | -173.7 | 178.4 | 155.1 | 0 | 0 | 105.9 | S232 P236 | S232-E234 VanDerWaalsContact C-N 3.29Å; S232-E234 PolarHBondContact O-N 3.42Å; E234-P236 WeakPolarHBondContact O-CD 3.43Å | ||
| 235 | H | 46.4 | Very low | 64.5 | Low | 144 Ų | 144 | 98.3 Ų | 98.3 | 67% | 0.667 | 58% | 0.577 | S | S | * | * | trans | -58.3 | 112.5 | -179.2 | -80.5 | 65.5 | 0 | 0 | 0 | 105.8 | E233 H237 | E233-H235 PolarHBondContact O-N 2.71Å; E233-H235 PolarHBondContact O-ND1 2.8Å; H235-H237 PolarHBondContact O-N 2.9Å | ||
| 236 | P | 53.8 | Low | 67.1 | Low | 111 Ų | 111 | 97.2 Ų | 97.2 | 72% | 0.721 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -58.2 | -27.4 | -162.7 | -27.1 | 33.9 | 0 | 0 | 0 | 112.5 | E234 | E234-P236 WeakPolarHBondContact O-CD 3.43Š|
| 237 | H | 65.2 | Low | 68.8 | Low | 85 Ų | 85 | 97 Ų | 97 | 39% | 0.394 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -144.1 | 114.3 | 177.2 | -55.6 | -28.4 | 0 | 0 | 0 | 108.9 | H235 N259 | H235-H237 PolarHBondContact O-N 2.9Å; H237-N259 WeakPolarHBondContact CB-OD1 3.23Å; H237-N259 PolarHBondContact CE1-ND2 3.23Å; H237-N259 VanDerWaalsContact CG-CG 3.5Å; H237-N259 PolarHBondContact ND1-ND2 2.93Å; H237-N259 PolarHBondContact ND1-OD1 2.95Å; H237-N259 PolarHBondContact NE2-ND2 3.46Å |
| 238 | S | 86.8 | Confident | 70.2 | Confident | 55 Ų | 55 | 97.5 Ų | 97.5 | 39% | 0.385 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 132.3 | 175.9 | 59.9 | 0 | 0 | 0 | 0 | 110 | K257 E258 | S238-K257 CarbonylContact O-C 3.59Å; S238-K257 VanDerWaalsContact O-CA 3.29Å; S238-K257 WeakPolarHBondContact O-CA 3.28Å; S238-E258 PolarHBondContact N-O 3.31Å; S238-E258 PolarHBondContact O-N 3.35Å |
| 239 | V | 93.1 | Very high | 72.5 | Confident | 78 Ų | 78 | 96.6 Ų | 96.6 | 47% | 0.473 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 123.8 | 173.9 | -177.2 | 0 | 0 | 0 | 0 | 107.6 | T242 K257 | V239-T242 VanDerWaalsContact CG1-OG1 3.23Å; V239-T242 WeakPolarHBondContact CG1-OG1 3.48Å; V239-K257 HydrophobicContact CG2-CG 4.48Å |
| 240 | L | 94.8 | Very high | 74.3 | Confident | 48 Ų | 48 | 95.5 Ų | 95.5 | 25% | 0.251 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -42.8 | -178.9 | -62.7 | 172.6 | 0 | 0 | 0 | 111.8 | L198 L256 E258 R263 | L198-L240 HydrophobicContact CD1-CB 4.32Å; L198-L240 HydrophobicContact CD1-CD1 3.74Å; L198-L240 HydrophobicContact CD1-CD2 4.48Å; L198-L240 HydrophobicContact CD1-CG 4.41Å; L240-L256 HydrophobicContact CB-CD2 4.32Å; L240-L256 HydrophobicContact CB-CG 4.28Å; L240-L256 WeakPolarHBondContact CB-O 3.33Å; L240-L256 HydrophobicContact CD1-CD2 4.4Å; L240-L256 HydrophobicContact CD1-CG 4.25Å; L240-L256 PolarHBondContact N-O 2.94Å; L240-E258 HydrophobicContact CD1-CB 3.87Å; L240-E258 HydrophobicContact CD2-CB 4.41Å; L240-E258 HydrophobicContact CG-CB 4.17Å; L240-R263 HydrophobicContact CD1-CG 4.1Å |
| 241 | K | 95.9 | Very high | 76.6 | Confident | 51 Ų | 51 | 91.4 Ų | 91.4 | 22% | 0.222 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 139.2 | 178.2 | -178.6 | 175.2 | 169 | 175.7 | 0 | 108.8 | D190 F191 H194 L256 | D190-K241 VanDerWaalsContact C-NZ 3.27Å; D190-K241 PolarHBondContact O-NZ 3.28Å; F191-K241 HydrophobicContact CD1-CB 4.17Å; F191-K241 HydrophobicContact CD1-CD 3.74Å; F191-K241 HydrophobicContact CD1-CG 4.01Å; F191-K241 HydrophobicContact CE1-CB 3.76Å; F191-K241 HydrophobicContact CE1-CD 3.74Å; F191-K241 HydrophobicContact CE1-CG 3.52Å; F191-K241 HydrophobicContact CZ-CG 4.26Å; H194-K241 HydrophobicContact CB-CD 3.91Å; K241-L256 HydrophobicContact CB-CB 4.29Å; K241-L256 PolarHBondContact N-O 3.31Å; K241-L256 PolarHBondContact O-N 3.14Å |
| 242 | T | 97.4 | Very high | 79.6 | Confident | 74 Ų | 74 | 88.4 Ų | 88.4 | 45% | 0.454 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 143.3 | 173.4 | -70.4 | 0 | 0 | 0 | 0 | 109.3 | V239 L254 D255 | V239-T242 VanDerWaalsContact CG1-OG1 3.23Å; V239-T242 WeakPolarHBondContact CG1-OG1 3.48Å; T242-L254 CarbonylContact C-O 3.55Å; T242-L254 VanDerWaalsContact CA-O 3.27Å; T242-L254 WeakPolarHBondContact CA-O 3.4Å; T242-D255 VanDerWaalsContact CG2-OD1 3.27Å; T242-D255 WeakPolarHBondContact CG2-OD1 3.45Å; T242-D255 PolarHBondContact OG1-OD1 3.38Å |
| 243 | D | 97.6 | Very high | 82.2 | Confident | 44 Ų | 44 | 86.7 Ų | 86.7 | 24% | 0.235 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 168.2 | 171.4 | -158.9 | 0.8 | 0 | 0 | 0 | 109.8 | C187 F191 L254 | C187-D243 PolarHBondContact SG-OD2 2.84Å; F191-D243 HydrophobicContact CE2-CB 3.86Å; F191-D243 HydrophobicContact CZ-CB 3.7Å; D243-L254 HydrophobicContact CB-CB 4.45Å; D243-L254 PolarHBondContact N-O 3Å; D243-L254 PolarHBondContact O-N 3.49Å |
| 244 | Y | 96.1 | Very high | 85 | Confident | 137 Ų | 137 | 78.9 Ų | 78.9 | 54% | 0.537 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 150.3 | 175.7 | 68.9 | -88 | 0 | 0 | 0 | 113.5 | Y252 | Y244-Y252 CarbonylContact C-O 3.56Å; Y244-Y252 WeakPolarHBondContact CA-O 3.39Å; Y244-Y252 WeakPolarHBondContact CB-O 3.11Å |
| 245 | I | 95.7 | Very high | 87.6 | Confident | 5 Ų | 5 | 72.3 Ų | 72.3 | 3% | 0.026 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 130.6 | 172.4 | -61.1 | 162.3 | 0 | 0 | 0 | 108.3 | V180 E183 L184 K251 Y252 L254 | V180-I245 HydrophobicContact CG1-CG2 4.06Å; V180-I245 HydrophobicContact CG2-CG2 4.5Å; E183-I245 HydrophobicContact CB-CD1 3.91Å; E183-I245 HydrophobicContact CB-CG1 4.18Å; E183-I245 HydrophobicContact CB-CG2 4.22Å; E183-I245 WeakPolarHBondContact OE2-CG2 3.33Å; L184-I245 HydrophobicContact CB-CD1 4.05Å; I245-K251 CarbonylContact O-C 3.58Å; I245-K251 WeakPolarHBondContact O-CA 3.44Å; I245-Y252 HydrophobicContact CB-CD2 4.39Å; I245-Y252 HydrophobicContact CG2-CD2 4.41Å; I245-Y252 PolarHBondContact N-O 3.28Å; I245-Y252 PolarHBondContact O-N 2.93Å; I245-L254 HydrophobicContact CD1-CD1 4.19Å; I245-L254 HydrophobicContact CG1-CD1 4.27Å |
| 246 | E | 92.3 | Very high | 90 | Very high | 87 Ų | 87 | 65.4 Ų | 65.4 | 41% | 0.407 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 119.7 | 177.9 | -176.2 | 170.9 | 177.5 | 0 | 0 | 110.8 | R250 K251 M272 | E246-R250 WeakPolarHBondContact CA-O 3.46Å; E246-K251 HydrophobicContact CB-CG 4.35Å; E246-K251 HydrophobicContact CG-CG 4.11Å; E246-K251 WeakPolarHBondContact OE1-CE 3.31Å; E246-K251 IonicContact OE1-NZ 3.53Å; E246-K251 WeakPolarHBondContact OE2-CE 3.25Å; E246-K251 IonicContact OE2-NZ 3.75Å; E246-K251 PolarHBondContact OE2-NZ 3.01Å; E246-K251 VanDerWaalsContact OE2-NZ 3.16Å; E246-M272 HydrophobicContact CG-SD 4.44Å |
| 247 | R | 87.7 | Confident | 92.1 | Very high | 116 Ų | 116 | 61.6 Ų | 61.6 | 44% | 0.438 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 136.5 | 179.9 | -161.9 | 76.2 | -175.3 | -176.5 | -2.1 | 111 | V180 N249 R250 | V180-R247 HydrophobicContact CG2-CB 3.57Å; V180-R247 HydrophobicContact CG2-CG 3.78Å; R247-N249 VanDerWaalsContact C-N 3.33Å; R247-N249 PolarHBondContact O-N 2.85Å; R247-R250 PolarHBondContact N-O 3.13Å; R247-R250 WeakPolarHBondContact O-CA 3.46Å; R247-R250 VanDerWaalsContact O-CB 3.31Å; R247-R250 WeakPolarHBondContact O-CB 3.36Å; R247-R250 PolarHBondContact O-N 3.49Å |
| 248 | D | 80.6 | Confident | 93.5 | Very high | 122 Ų | 122 | 60.7 Ų | 60.7 | 65% | 0.652 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 47 | 172.2 | -54.2 | -36.4 | 0 | 0 | 0 | 114.4 | R250 | D248-R250 PolarHBondContact O-N 3.23Š|
| 249 | N | 85.3 | Confident | 93.7 | Very high | 114 Ų | 114 | 59.8 Ų | 59.8 | 61% | 0.61 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 27.3 | -175.1 | -58.7 | -44.4 | 0 | 0 | 0 | 114.3 | R247 M272 | R247-N249 VanDerWaalsContact C-N 3.33Å; R247-N249 PolarHBondContact O-N 2.85Å; N249-M272 HydrophobicContact CB-CB 4.47Å; N249-M272 PolarHBondContact O-N 2.89Å |
| 250 | R | 89.4 | Confident | 93.6 | Very high | 100 Ų | 100 | 64.9 Ų | 64.9 | 38% | 0.377 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 139.3 | 172.7 | -59.1 | 176.2 | -177.7 | -172.8 | 5.3 | 109.3 | E246 R247 D248 Y252 T270 | E246-R250 WeakPolarHBondContact CA-O 3.46Å; R247-R250 PolarHBondContact N-O 3.13Å; R247-R250 WeakPolarHBondContact O-CA 3.46Å; R247-R250 VanDerWaalsContact O-CB 3.31Å; R247-R250 WeakPolarHBondContact O-CB 3.36Å; R247-R250 PolarHBondContact O-N 3.49Å; D248-R250 PolarHBondContact O-N 3.23Å; R250-Y252 HydrophobicContact CB-CE2 3.9Å; R250-T270 CarbonylContact C-O 3.57Å; R250-T270 WeakPolarHBondContact CA-O 3.49Å |
| 251 | K | 92.8 | Very high | 93.2 | Very high | 49 Ų | 49 | 72.5 Ų | 72.5 | 21% | 0.213 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 123.8 | 173.7 | -73 | -174.1 | 164.2 | 177.3 | 0 | 108.9 | I245 E246 Y253 Q269 T270 M272 | I245-K251 CarbonylContact O-C 3.58Å; I245-K251 WeakPolarHBondContact O-CA 3.44Å; E246-K251 HydrophobicContact CB-CG 4.35Å; E246-K251 HydrophobicContact CG-CG 4.11Å; E246-K251 WeakPolarHBondContact OE1-CE 3.31Å; E246-K251 IonicContact OE1-NZ 3.53Å; E246-K251 WeakPolarHBondContact OE2-CE 3.25Å; E246-K251 IonicContact OE2-NZ 3.75Å; E246-K251 PolarHBondContact OE2-NZ 3.01Å; E246-K251 VanDerWaalsContact OE2-NZ 3.16Å; K251-Y253 HydrophobicContact CB-CE2 3.87Å; K251-Q269 CarbonylContact O-C 3.55Å; K251-Q269 WeakPolarHBondContact O-CA 3.41Å; K251-T270 PolarHBondContact N-O 2.82Å; K251-T270 PolarHBondContact O-N 2.87Å; K251-T270 PolarHBondContact O-OG1 2.89Å; K251-M272 HydrophobicContact CD-CG 4.09Å; K251-M272 HydrophobicContact CD-SD 3.83Å; K251-M272 WeakPolarHBondContact CE-SD 3.27Å; K251-M272 HydrophobicContact CG-CG 4.21Å; K251-M272 HydrophobicContact CG-SD 3.9Å |
| 252 | Y | 96 | Very high | 93.1 | Very high | 8 Ų | 8 | 71.7 Ų | 71.7 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 114.5 | 172.9 | -55.8 | -97 | 0 | 0 | 0 | 106.8 | L174 L176 V180 Y244 I245 R250 L254 R268 Q269 | L174-Y252 HydrophobicContact CD1-CD1 4.23Å; L174-Y252 HydrophobicContact CD1-CE1 4.21Å; L176-Y252 HydrophobicContact CB-CE1 4.06Å; V180-Y252 HydrophobicContact CG1-CD2 3.87Å; V180-Y252 HydrophobicContact CG1-CE1 4.48Å; V180-Y252 HydrophobicContact CG1-CE2 3.72Å; V180-Y252 HydrophobicContact CG1-CG 4.34Å; V180-Y252 HydrophobicContact CG2-CE2 4.15Å; Y244-Y252 CarbonylContact C-O 3.56Å; Y244-Y252 WeakPolarHBondContact CA-O 3.39Å; Y244-Y252 WeakPolarHBondContact CB-O 3.11Å; I245-Y252 HydrophobicContact CB-CD2 4.39Å; I245-Y252 HydrophobicContact CG2-CD2 4.41Å; I245-Y252 PolarHBondContact N-O 3.28Å; I245-Y252 PolarHBondContact O-N 2.93Å; R250-Y252 HydrophobicContact CB-CE2 3.9Å; Y252-L254 WeakPolarHBondContact O-CD1 3.26Å; Y252-R268 CarbonylContact C-O 3.56Å; Y252-R268 WeakPolarHBondContact CA-O 3.25Å; Y252-Q269 HydrophobicContact CD1-CB 3.67Å; Y252-Q269 HydrophobicContact CD1-CG 3.93Å; Y252-Q269 HydrophobicContact CE1-CB 3.72Å; Y252-Q269 HydrophobicContact CE1-CG 3.56Å; Y252-Q269 VanDerWaalsContact CE1-OE1 3.22Å |
| 253 | Y | 97.1 | Very high | 93 | Very high | 72 Ų | 72 | 71 Ų | 71 | 28% | 0.282 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 132.3 | 175.8 | -64.2 | -85.6 | 0 | 0 | 0 | 109.4 | K251 I267 R268 T270 | K251-Y253 HydrophobicContact CB-CE2 3.87Å; Y253-I267 CarbonylContact O-C 3.57Å; Y253-I267 WeakPolarHBondContact O-CA 3.15Å; Y253-R268 PolarHBondContact N-O 3.31Å; Y253-R268 PolarHBondContact O-N 3.22Å; Y253-T270 HydrophobicContact CD2-CG2 4.05Å; Y253-T270 HydrophobicContact CE2-CG2 3.84Å; Y253-T270 WeakPolarHBondContact CE2-OG1 3.48Å |
| 254 | L | 98.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 108.2 | 179.8 | -65.3 | 84.2 | 0 | 0 | 0 | 108.2 | L184 C187 F191 T242 D243 I245 Y252 L265 R266 I267 | L184-L254 HydrophobicContact CD1-CD2 3.51Å; L184-L254 HydrophobicContact CD1-CG 4.5Å; C187-L254 HydrophobicContact CB-CD2 3.99Å; F191-L254 HydrophobicContact CE2-CB 3.75Å; F191-L254 HydrophobicContact CE2-CD2 3.92Å; F191-L254 HydrophobicContact CZ-CB 3.85Å; T242-L254 CarbonylContact C-O 3.55Å; T242-L254 VanDerWaalsContact CA-O 3.27Å; T242-L254 WeakPolarHBondContact CA-O 3.4Å; D243-L254 HydrophobicContact CB-CB 4.45Å; D243-L254 PolarHBondContact N-O 3Å; D243-L254 PolarHBondContact O-N 3.49Å; I245-L254 HydrophobicContact CD1-CD1 4.19Å; I245-L254 HydrophobicContact CG1-CD1 4.27Å; Y252-L254 WeakPolarHBondContact O-CD1 3.26Å; L254-L265 HydrophobicContact CB-CD1 4.28Å; L254-R266 WeakPolarHBondContact CA-O 3.26Å; L254-I267 HydrophobicContact CG-CG1 4.35Å; L254-I267 HydrophobicContact CG-CG2 4.48Å |
| 255 | D | 97.3 | Very high | 93 | Very high | 18 Ų | 18 | 63.8 Ų | 63.8 | 10% | 0.096 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 110.3 | -177.9 | -59.6 | -47.2 | 0 | 0 | 0 | 110 | T242 K257 L265 R266 | T242-D255 VanDerWaalsContact CG2-OD1 3.27Å; T242-D255 WeakPolarHBondContact CG2-OD1 3.45Å; T242-D255 PolarHBondContact OG1-OD1 3.38Å; D255-K257 HydrophobicContact CB-CD 4.22Å; D255-K257 HydrophobicContact CB-CG 3.94Å; D255-K257 PolarHBondContact O-N 3.15Å; D255-L265 CarbonylContact O-C 3.55Å; D255-L265 WeakPolarHBondContact O-CA 3.45Å; D255-R266 HydrophobicContact CB-CB 4.48Å; D255-R266 PolarHBondContact N-O 3.05Å; D255-R266 PolarHBondContact O-N 3.3Å; D255-R266 IonicContact OD2-NE 3.43Å; D255-R266 IonicContact OD2-NH2 3.14Å |
| 256 | L | 97.8 | Very high | 93 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 116.3 | 166.5 | -178.5 | 66.2 | 0 | 0 | 0 | 108 | F191 L240 K241 L265 A295 M298 | F191-L256 HydrophobicContact CD1-CB 3.73Å; F191-L256 HydrophobicContact CD1-CD2 4.23Å; F191-L256 HydrophobicContact CE1-CB 3.77Å; L240-L256 HydrophobicContact CB-CD2 4.32Å; L240-L256 HydrophobicContact CB-CG 4.28Å; L240-L256 WeakPolarHBondContact CB-O 3.33Å; L240-L256 HydrophobicContact CD1-CD2 4.4Å; L240-L256 HydrophobicContact CD1-CG 4.25Å; L240-L256 PolarHBondContact N-O 2.94Å; K241-L256 HydrophobicContact CB-CB 4.29Å; K241-L256 PolarHBondContact N-O 3.31Å; K241-L256 PolarHBondContact O-N 3.14Å; L256-L265 HydrophobicContact CB-CD1 4.18Å; L256-A295 HydrophobicContact CD1-CB 4.24Å; L256-M298 HydrophobicContact CD1-SD 4.39Å |
| 257 | K | 96.5 | Very high | 93.2 | Very high | 31 Ų | 31 | 62.4 Ų | 62.4 | 14% | 0.135 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 155.7 | -175.4 | -49 | -170.3 | 83.4 | -177.9 | 0 | 111.5 | S238 V239 D255 R263 F264 | S238-K257 CarbonylContact O-C 3.59Å; S238-K257 VanDerWaalsContact O-CA 3.29Å; S238-K257 WeakPolarHBondContact O-CA 3.28Å; V239-K257 HydrophobicContact CG2-CG 4.48Å; D255-K257 HydrophobicContact CB-CD 4.22Å; D255-K257 HydrophobicContact CB-CG 3.94Å; D255-K257 PolarHBondContact O-N 3.15Å; K257-R263 CarbonylContact O-C 3.57Å; K257-R263 VanDerWaalsContact O-CA 3.22Å; K257-R263 WeakPolarHBondContact O-CA 3.28Å; K257-F264 HydrophobicContact CB-CE1 3.92Å; K257-F264 HydrophobicContact CB-CE2 4Å; K257-F264 HydrophobicContact CB-CZ 3.62Å; K257-F264 HydrophobicContact CD-CE2 4.12Å; K257-F264 HydrophobicContact CD-CZ 4.09Å; K257-F264 HydrophobicContact CG-CE2 4.28Å; K257-F264 HydrophobicContact CG-CZ 4.27Å; K257-F264 PolarHBondContact N-O 3.3Å; K257-F264 PolarHBondContact O-N 3.29Å |
| 258 | E | 94.6 | Very high | 93.5 | Very high | 65 Ų | 65 | 59.8 Ų | 59.8 | 30% | 0.304 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 129.6 | 174.8 | -176.2 | 160.4 | -135.5 | 0 | 0 | 111.6 | S238 L240 R263 | S238-E258 PolarHBondContact N-O 3.31Å; S238-E258 PolarHBondContact O-N 3.35Å; L240-E258 HydrophobicContact CD1-CB 3.87Å; L240-E258 HydrophobicContact CD2-CB 4.41Å; L240-E258 HydrophobicContact CG-CB 4.17Å; E258-R263 HydrophobicContact CB-CG 3.98Å; E258-R263 HydrophobicContact CG-CG 3.9Å; E258-R263 IonicContact OE1-CZ 2.71Å; E258-R263 IonicContact OE1-NE 3.88Å; E258-R263 PolarHBondContact OE1-NE 3.44Å; E258-R263 IonicContact OE1-NH2 2.65Å; E258-R263 PolarHBondContact OE1-NH2 3.1Å; E258-R263 VanDerWaalsContact OE1-NH2 3.14Å; E258-R263 IonicContact OE2-NE 3.16Å; E258-R263 IonicContact OE2-NH2 3.84Å |
| 259 | N | 91.2 | Very high | 94.1 | Very high | 36 Ų | 36 | 55 Ų | 55 | 19% | 0.193 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 171.6 | 176.2 | -65.4 | 8.3 | 0 | 0 | 0 | 110 | H237 R261 G262 F264 | H237-N259 WeakPolarHBondContact CB-OD1 3.23Å; H237-N259 PolarHBondContact CE1-ND2 3.23Å; H237-N259 VanDerWaalsContact CG-CG 3.5Å; H237-N259 PolarHBondContact ND1-ND2 2.93Å; H237-N259 PolarHBondContact ND1-OD1 2.95Å; H237-N259 PolarHBondContact NE2-ND2 3.46Å; N259-R261 PolarHBondContact O-N 2.94Å; N259-G262 PolarHBondContact N-O 2.91Å; N259-G262 PolarHBondContact O-N 3.41Å; N259-F264 HydrophobicContact CB-CE1 4.14Å; N259-F264 WeakPolarHBondContact ND2-CE1 3.17Å; N259-F264 VanDerWaalsContact OD1-CE1 3.25Å; N259-F264 WeakPolarHBondContact OD1-CE1 3.3Å |
| 260 | Q | 90.8 | Very high | 94.2 | Very high | 186 Ų | 186 | 51.7 Ų | 51.7 | 87% | 0.869 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -27.2 | 169.9 | -62.7 | 177.9 | 1.3 | 0 | 0 | 113.8 | G262 | Q260-G262 VanDerWaalsContact C-N 3.33Š|
| 261 | R | 88.1 | Confident | 93.7 | Very high | 207 Ų | 207 | 51.9 Ų | 51.9 | 78% | 0.781 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -2 | 178.3 | -68.1 | 179.2 | 62.8 | -166.5 | -2.6 | 114 | N259 | N259-R261 PolarHBondContact O-N 2.94Š|
| 262 | G | 92.2 | Very high | 92.3 | Very high | 34 Ų | 34 | 53.4 Ų | 53.4 | 35% | 0.351 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 109.8 | -169.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N259 Q260 | N259-G262 PolarHBondContact N-O 2.91Å; N259-G262 PolarHBondContact O-N 3.41Å; Q260-G262 VanDerWaalsContact C-N 3.33Å |
| 263 | R | 95.5 | Very high | 90.7 | Very high | 60 Ų | 60 | 59.8 Ų | 59.8 | 23% | 0.226 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 145.6 | -174 | -57 | -179.9 | -170.9 | 151.7 | -0.9 | 112 | Y195 L240 K257 E258 A295 | Y195-R263 HydrophobicContact CE2-CB 4.02Å; Y195-R263 HydrophobicContact CE2-CG 4.37Å; L240-R263 HydrophobicContact CD1-CG 4.1Å; K257-R263 CarbonylContact O-C 3.57Å; K257-R263 VanDerWaalsContact O-CA 3.22Å; K257-R263 WeakPolarHBondContact O-CA 3.28Å; E258-R263 HydrophobicContact CB-CG 3.98Å; E258-R263 HydrophobicContact CG-CG 3.9Å; E258-R263 IonicContact OE1-CZ 2.71Å; E258-R263 IonicContact OE1-NE 3.88Å; E258-R263 PolarHBondContact OE1-NE 3.44Å; E258-R263 IonicContact OE1-NH2 2.65Å; E258-R263 PolarHBondContact OE1-NH2 3.1Å; E258-R263 VanDerWaalsContact OE1-NH2 3.14Å; E258-R263 IonicContact OE2-NE 3.16Å; E258-R263 IonicContact OE2-NH2 3.84Å; R263-A295 HydrophobicContact CB-CB 3.86Å; R263-A295 WeakPolarHBondContact O-CB 3.32Å; R263-A295 PolarHBondContact O-N 3.26Å |
| 264 | F | 96.6 | Very high | 88.4 | Confident | 29 Ų | 29 | 59.4 Ų | 59.4 | 13% | 0.127 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 150.6 | 179.1 | 61.3 | -79.9 | 0 | 0 | 0 | 111 | K257 N259 R266 V292 L293 | K257-F264 HydrophobicContact CB-CE1 3.92Å; K257-F264 HydrophobicContact CB-CE2 4Å; K257-F264 HydrophobicContact CB-CZ 3.62Å; K257-F264 HydrophobicContact CD-CE2 4.12Å; K257-F264 HydrophobicContact CD-CZ 4.09Å; K257-F264 HydrophobicContact CG-CE2 4.28Å; K257-F264 HydrophobicContact CG-CZ 4.27Å; K257-F264 PolarHBondContact N-O 3.3Å; K257-F264 PolarHBondContact O-N 3.29Å; N259-F264 HydrophobicContact CB-CE1 4.14Å; N259-F264 WeakPolarHBondContact ND2-CE1 3.17Å; N259-F264 VanDerWaalsContact OD1-CE1 3.25Å; N259-F264 WeakPolarHBondContact OD1-CE1 3.3Å; F264-R266 HydrophobicContact CD2-CB 4.43Å; F264-R266 HydrophobicContact CE2-CB 4.3Å; F264-V292 HydrophobicContact CB-CG1 4.06Å; F264-V292 HydrophobicContact CD2-CG1 3.48Å; F264-V292 VanDerWaalsContact CD2-CG1 3.48Å; F264-V292 HydrophobicContact CE2-CG1 4.21Å; F264-V292 HydrophobicContact CG-CG1 3.93Å; F264-L293 CarbonylContact C-O 3.53Å; F264-L293 VanDerWaalsContact CA-O 3.31Å; F264-L293 WeakPolarHBondContact CA-O 3.32Å; F264-L293 WeakPolarHBondContact CB-O 3.48Å |
| 265 | L | 97.6 | Very high | 86 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 123.1 | 170.8 | -174.7 | 67.4 | 0 | 0 | 0 | 109.1 | L188 F191 L254 D255 L256 I267 L293 M298 | L188-L265 HydrophobicContact CD2-CD2 3.51Å; F191-L265 HydrophobicContact CD1-CD1 4.03Å; F191-L265 HydrophobicContact CD2-CD1 4.17Å; F191-L265 HydrophobicContact CD2-CD2 4.47Å; F191-L265 HydrophobicContact CE1-CD1 3.92Å; F191-L265 HydrophobicContact CE2-CD1 4.12Å; F191-L265 HydrophobicContact CG-CD1 4.16Å; F191-L265 HydrophobicContact CZ-CD1 3.99Å; L254-L265 HydrophobicContact CB-CD1 4.28Å; D255-L265 CarbonylContact O-C 3.55Å; D255-L265 WeakPolarHBondContact O-CA 3.45Å; L256-L265 HydrophobicContact CB-CD1 4.18Å; L265-I267 HydrophobicContact CD2-CD1 4.18Å; L265-I267 HydrophobicContact CD2-CG1 4.19Å; L265-I267 HydrophobicContact CG-CG1 4.14Å; L265-L293 HydrophobicContact CB-CB 4.37Å; L265-L293 PolarHBondContact N-O 3.39Å; L265-L293 PolarHBondContact O-N 2.74Å; L265-M298 HydrophobicContact CB-SD 4.17Å; L265-M298 HydrophobicContact CD2-SD 4.33Å |
| 266 | R | 95.9 | Very high | 83.6 | Confident | 62 Ų | 62 | 69.1 Ų | 69.1 | 23% | 0.234 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 122.4 | 171.7 | -173 | 176.6 | 84.6 | 164.2 | 6.8 | 109 | L254 D255 F264 V292 | L254-R266 WeakPolarHBondContact CA-O 3.26Å; D255-R266 HydrophobicContact CB-CB 4.48Å; D255-R266 PolarHBondContact N-O 3.05Å; D255-R266 PolarHBondContact O-N 3.3Å; D255-R266 IonicContact OD2-NE 3.43Å; D255-R266 IonicContact OD2-NH2 3.14Å; F264-R266 HydrophobicContact CD2-CB 4.43Å; F264-R266 HydrophobicContact CE2-CB 4.3Å; R266-V292 HydrophobicContact CG-CG2 4.13Å |
| 267 | I | 96.4 | Very high | 81.3 | Confident | 2 Ų | 2 | 76.7 Ų | 76.7 | 1% | 0.01 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 115.6 | 177.1 | -54.4 | 167.9 | 0 | 0 | 0 | 107.6 | L174 L184 Y253 L254 L265 T290 I291 | L174-I267 HydrophobicContact CD2-CB 4.41Å; L174-I267 HydrophobicContact CD2-CG2 3.61Å; L184-I267 HydrophobicContact CD1-CD1 3.91Å; L184-I267 HydrophobicContact CD2-CD1 4.48Å; Y253-I267 CarbonylContact O-C 3.57Å; Y253-I267 WeakPolarHBondContact O-CA 3.15Å; L254-I267 HydrophobicContact CG-CG1 4.35Å; L254-I267 HydrophobicContact CG-CG2 4.48Å; L265-I267 HydrophobicContact CD2-CD1 4.18Å; L265-I267 HydrophobicContact CD2-CG1 4.19Å; L265-I267 HydrophobicContact CG-CG1 4.14Å; I267-T290 VanDerWaalsContact O-CA 3.23Å; I267-T290 WeakPolarHBondContact O-CA 3.43Å; I267-T290 PolarHBondContact O-OG1 3.28Å; I267-I291 HydrophobicContact CB-CD1 4.49Å; I267-I291 HydrophobicContact CB-CG1 3.9Å; I267-I291 HydrophobicContact CD1-CD1 4.09Å; I267-I291 HydrophobicContact CD1-CG1 4.28Å; I267-I291 HydrophobicContact CG1-CG1 4.49Å; I267-I291 PolarHBondContact N-O 2.94Å; I267-I291 PolarHBondContact O-N 3.28Å |
| 268 | R | 94.6 | Very high | 79.2 | Confident | 61 Ų | 61 | 83.6 Ų | 83.6 | 23% | 0.23 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 124.3 | -176.3 | 179.1 | 179.6 | 64.3 | 168.2 | 0.1 | 110.9 | Y252 Y253 E288 | Y252-R268 CarbonylContact C-O 3.56Å; Y252-R268 WeakPolarHBondContact CA-O 3.25Å; Y253-R268 PolarHBondContact N-O 3.31Å; Y253-R268 PolarHBondContact O-N 3.22Å; R268-E288 IonicContact NH1-OE1 3.99Å; R268-E288 PolarHBondContact NH1-OE1 2.79Å |
| 269 | Q | 92.1 | Very high | 77.2 | Confident | 20 Ų | 20 | 82.6 Ų | 82.6 | 9% | 0.093 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 132 | 171.3 | 177.8 | -173.4 | -30.4 | 0 | 0 | 111.3 | L174 T175 K251 Y252 Q289 | L174-Q269 HydrophobicContact CD1-CB 3.59Å; T175-Q269 PolarHBondContact O-OE1 2.87Å; K251-Q269 CarbonylContact O-C 3.55Å; K251-Q269 WeakPolarHBondContact O-CA 3.41Å; Y252-Q269 HydrophobicContact CD1-CB 3.67Å; Y252-Q269 HydrophobicContact CD1-CG 3.93Å; Y252-Q269 HydrophobicContact CE1-CB 3.72Å; Y252-Q269 HydrophobicContact CE1-CG 3.56Å; Y252-Q269 VanDerWaalsContact CE1-OE1 3.22Å; Q269-Q289 HydrophobicContact CB-CB 4.1Å; Q269-Q289 PolarHBondContact N-O 3.42Å; Q269-Q289 VanDerWaalsContact OE1-OE1 3.13Å |
| 270 | T | 88.8 | Confident | 74.9 | Confident | 45 Ų | 45 | 92 Ų | 92 | 28% | 0.276 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 155.6 | 164.3 | 72.8 | 0 | 0 | 0 | 0 | 109.2 | R250 K251 Y253 | R250-T270 CarbonylContact C-O 3.57Å; R250-T270 WeakPolarHBondContact CA-O 3.49Å; K251-T270 PolarHBondContact N-O 2.82Å; K251-T270 PolarHBondContact O-N 2.87Å; K251-T270 PolarHBondContact O-OG1 2.89Å; Y253-T270 HydrophobicContact CD2-CG2 4.05Å; Y253-T270 HydrophobicContact CE2-CG2 3.84Å; Y253-T270 WeakPolarHBondContact CE2-OG1 3.48Å |
| 271 | M | 78.6 | Confident | 72.8 | Confident | 105 Ų | 105 | 92.3 Ų | 92.3 | 52% | 0.517 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 131.3 | 172 | 43.7 | -177.7 | 173.7 | 0 | 0 | 107.8 | R273 | M271-R273 VanDerWaalsContact C-N 3.26Å; M271-R273 PolarHBondContact O-N 3.12Å |
| 272 | M | 63.4 | Low | 70.7 | Confident | 81 Ų | 81 | 84.2 Ų | 84.2 | 40% | 0.399 | 45% | 0.453 | S | S | . | . | trans | -71 | 87.4 | 170.6 | -76 | 164.6 | 62.1 | 0 | 0 | 107.9 | E246 N249 K251 G274 | E246-M272 HydrophobicContact CG-SD 4.44Å; N249-M272 HydrophobicContact CB-CB 4.47Å; N249-M272 PolarHBondContact O-N 2.89Å; K251-M272 HydrophobicContact CD-CG 4.09Å; K251-M272 HydrophobicContact CD-SD 3.83Å; K251-M272 WeakPolarHBondContact CE-SD 3.27Å; K251-M272 HydrophobicContact CG-CG 4.21Å; K251-M272 HydrophobicContact CG-SD 3.9Å; M272-G274 PolarHBondContact O-N 2.77Å | ||
| 273 | R | 60.8 | Low | 68.5 | Low | 142 Ų | 142 | 91.3 Ų | 91.3 | 54% | 0.536 | 48% | 0.477 | S | S | . | . | trans | -72 | 116.6 | 162.3 | -80.6 | -176.2 | 172 | 155.8 | -4.3 | 106.8 | M271 G282 | M271-R273 VanDerWaalsContact C-N 3.26Å; M271-R273 PolarHBondContact O-N 3.12Å; R273-G282 PolarHBondContact NH1-O 3.38Å; R273-G282 VanDerWaalsContact NH1-O 3.12Å | ||
| 274 | G | 48.7 | Very low | 65.9 | Low | 64 Ų | 64 | 93.5 Ų | 93.5 | 66% | 0.66 | 50% | 0.502 | S | S | * | . | trans | -51.9 | 144 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | M272 G276 | M272-G274 PolarHBondContact O-N 2.77Å; G274-G276 PolarHBondContact O-N 2.82Å | ||
| 275 | T | 48.3 | Very low | 63.6 | Low | 164 Ų | 164 | 99.3 Ų | 99.3 | 100% | 1.006 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.5 | 103.8 | 173.8 | -50.6 | 0 | 0 | 0 | 0 | 110.3 | ||
| 276 | G | 48.3 | Very low | 61.2 | Low | 57 Ų | 57 | 102.6 Ų | 102.6 | 59% | 0.588 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 156.2 | -12.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | G274 | G274-G276 PolarHBondContact O-N 2.82Š|
| 277 | M | 48 | Very low | 59.3 | Low | 159 Ų | 159 | 106 Ų | 106 | 78% | 0.783 | 59% | 0.586 | S | S | * | * | trans | -121.2 | 63.5 | 175.1 | -79.9 | -77.4 | 100.6 | 0 | 0 | 111.6 | ||||
| 278 | I | 53.8 | Low | 57.8 | Low | 177 Ų | 177 | 111.4 Ų | 111.4 | 91% | 0.908 | 61% | 0.611 | S | S | * | * | trans | -94.4 | 108.5 | 158.8 | -65.1 | 171.6 | 0 | 0 | 0 | 105.7 | ||||
| 279 | G | 50.8 | Low | 57.5 | Low | 43 Ų | 43 | 111.5 Ų | 111.5 | 44% | 0.443 | 61% | 0.614 | S | S | . | * | S | Bend | trans | 137.9 | 114.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | F281 | G279-F281 PolarHBondContact O-N 2.83Š|
| 280 | Y | 44.6 | Very low | 57.5 | Low | 235 Ų | 235 | 111.7 Ų | 111.7 | 92% | 0.922 | 62% | 0.617 | S | S | * | * | S | Bend | trans | 79.1 | -14.5 | 153.4 | -66.5 | -88.4 | 0 | 0 | 0 | 121.6 | ||
| 281 | F | 45.2 | Very low | 57.8 | Low | 192 Ų | 192 | 109.5 Ų | 109.5 | 84% | 0.842 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -137.5 | 37.5 | 174.3 | -87.1 | -85 | 0 | 0 | 0 | 115.1 | G279 | G279-F281 PolarHBondContact O-N 2.83Š|
| 282 | G | 44.1 | Very low | 58.6 | Low | 36 Ų | 36 | 106.4 Ų | 106.4 | 37% | 0.371 | 59% | 0.59 | S | S | . | * | trans | -108.4 | -18.1 | -168.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | R273 | R273-G282 PolarHBondContact NH1-O 3.38Å; R273-G282 VanDerWaalsContact NH1-O 3.12Å | ||
| 283 | H | 46.7 | Very low | 60.1 | Low | 183 Ų | 183 | 102.6 Ų | 102.6 | 85% | 0.847 | 57% | 0.571 | S | S | * | * | trans | -100.1 | 3.6 | -169.3 | -73.9 | -76.1 | 0 | 0 | 0 | 115.3 | L285 G286 | H283-L285 VanDerWaalsContact C-N 3.29Å; H283-L285 PolarHBondContact O-N 3.18Å; H283-G286 PolarHBondContact O-N 3.16Å | ||
| 284 | S | 40.2 | Very low | 61.8 | Low | 107 Ų | 107 | 96.2 Ų | 96.2 | 75% | 0.748 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 10.5 | -175.1 | 45.8 | 0 | 0 | 0 | 0 | 115.8 | ||
| 285 | L | 49 | Very low | 64.1 | Low | 151 Ų | 151 | 93.3 Ų | 93.3 | 79% | 0.791 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.5 | 37.4 | 164.2 | -86.1 | 156.2 | 0 | 0 | 0 | 110.5 | H283 Q287 | H283-L285 VanDerWaalsContact C-N 3.29Å; H283-L285 PolarHBondContact O-N 3.18Å; L285-Q287 PolarHBondContact O-N 2.93Å |
| 286 | G | 46.5 | Very low | 66.4 | Low | 69 Ų | 69 | 91.3 Ų | 91.3 | 71% | 0.711 | 50% | 0.497 | S | S | * | . | trans | -69.2 | 43 | -171.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | H283 | H283-G286 PolarHBondContact O-N 3.16Š| ||
| 287 | Q | 56.6 | Low | 68.7 | Low | 134 Ų | 134 | 88.6 Ų | 88.6 | 63% | 0.626 | 47% | 0.47 | S | S | * | . | trans | -109.6 | 107.3 | 158.2 | -68.1 | -174.6 | -18.5 | 0 | 0 | 107.1 | L285 Q289 | L285-Q287 PolarHBondContact O-N 2.93Å; Q287-Q289 PolarHBondContact O-N 3.2Å | ||
| 288 | E | 65.1 | Low | 71 | Confident | 114 Ų | 114 | 81.1 Ų | 81.1 | 53% | 0.533 | 43% | 0.433 | S | S | . | . | trans | -50.8 | 120 | 165.2 | -73 | -171.7 | 143.5 | 0 | 0 | 107.3 | R268 T290 | R268-E288 IonicContact NH1-OE1 3.99Å; R268-E288 PolarHBondContact NH1-OE1 2.79Å; E288-T290 VanDerWaalsContact C-N 3.28Å; E288-T290 HydrophobicContact CB-CG2 4.24Å; E288-T290 WeakPolarHBondContact O-CG2 3.36Å; E288-T290 PolarHBondContact O-N 3.21Å | ||
| 289 | Q | 88.4 | Confident | 73.1 | Confident | 64 Ų | 64 | 76.9 Ų | 76.9 | 30% | 0.299 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 93.3 | 174.1 | -70.4 | -177.4 | 44.2 | 0 | 0 | 106.5 | K173 L174 Q269 Q287 | K173-Q289 WeakPolarHBondContact O-CA 3.24Å; L174-Q289 HydrophobicContact CD1-CB 4.02Å; Q269-Q289 HydrophobicContact CB-CB 4.1Å; Q269-Q289 PolarHBondContact N-O 3.42Å; Q269-Q289 VanDerWaalsContact OE1-OE1 3.13Å; Q287-Q289 PolarHBondContact O-N 3.2Å |
| 290 | T | 92.4 | Very high | 75.4 | Confident | 23 Ų | 23 | 79.3 Ų | 79.3 | 14% | 0.141 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 140 | -171.2 | -170.3 | 0 | 0 | 0 | 0 | 110.5 | S172 I267 E288 | S172-T290 WeakPolarHBondContact CB-O 3.35Å; S172-T290 PolarHBondContact OG-O 2.98Å; I267-T290 VanDerWaalsContact O-CA 3.23Å; I267-T290 WeakPolarHBondContact O-CA 3.43Å; I267-T290 PolarHBondContact O-OG1 3.28Å; E288-T290 VanDerWaalsContact C-N 3.28Å; E288-T290 HydrophobicContact CB-CG2 4.24Å; E288-T290 WeakPolarHBondContact O-CG2 3.36Å; E288-T290 PolarHBondContact O-N 3.21Å |
| 291 | I | 94.7 | Very high | 77.9 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 151 | 171.6 | 60.1 | 174.7 | 0 | 0 | 0 | 109.1 | I156 E158 L174 I267 F301 | I156-I291 HydrophobicContact CB-CD1 4.28Å; I156-I291 HydrophobicContact CD1-CD1 4.07Å; I156-I291 HydrophobicContact CG2-CD1 3.71Å; E158-I291 HydrophobicContact CB-CG2 4.23Å; E158-I291 WeakPolarHBondContact OE2-CA 3.44Å; L174-I291 HydrophobicContact CB-CD1 4.48Å; L174-I291 HydrophobicContact CB-CG2 4.17Å; L174-I291 HydrophobicContact CD2-CD1 4.11Å; L174-I291 HydrophobicContact CD2-CG1 4.28Å; I267-I291 HydrophobicContact CB-CD1 4.49Å; I267-I291 HydrophobicContact CB-CG1 3.9Å; I267-I291 HydrophobicContact CD1-CD1 4.09Å; I267-I291 HydrophobicContact CD1-CG1 4.28Å; I267-I291 HydrophobicContact CG1-CG1 4.49Å; I267-I291 PolarHBondContact N-O 2.94Å; I267-I291 PolarHBondContact O-N 3.28Å; I291-F301 HydrophobicContact CD1-CZ 4.49Å |
| 292 | V | 94.8 | Very high | 80.4 | Confident | 39 Ų | 39 | 62.8 Ų | 62.8 | 24% | 0.236 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 104.5 | -178.8 | 175 | 0 | 0 | 0 | 0 | 109.3 | K139 F141 E158 F264 R266 | K139-V292 PolarHBondContact NZ-O 3.47Å; F141-V292 WeakPolarHBondContact CZ-O 3.32Å; E158-V292 PolarHBondContact OE2-N 3.23Å; F264-V292 HydrophobicContact CB-CG1 4.06Å; F264-V292 HydrophobicContact CD2-CG1 3.48Å; F264-V292 VanDerWaalsContact CD2-CG1 3.48Å; F264-V292 HydrophobicContact CE2-CG1 4.21Å; F264-V292 HydrophobicContact CG-CG1 3.93Å; R266-V292 HydrophobicContact CG-CG2 4.13Å |
| 293 | L | 96 | Very high | 83 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 118.5 | -177.4 | -177.8 | 64.9 | 0 | 0 | 0 | 110.2 | I136 F141 L188 F264 L265 A295 M298 F301 | I136-L293 HydrophobicContact CD1-CD1 3.31Å; F141-L293 HydrophobicContact CD2-CD1 4.38Å; F141-L293 HydrophobicContact CE1-CD1 4.49Å; F141-L293 HydrophobicContact CE2-CD1 3.92Å; F141-L293 HydrophobicContact CZ-CD1 3.97Å; L188-L293 HydrophobicContact CD2-CD2 4.24Å; F264-L293 CarbonylContact C-O 3.53Å; F264-L293 VanDerWaalsContact CA-O 3.31Å; F264-L293 WeakPolarHBondContact CA-O 3.32Å; F264-L293 WeakPolarHBondContact CB-O 3.48Å; L265-L293 HydrophobicContact CB-CB 4.37Å; L265-L293 PolarHBondContact N-O 3.39Å; L265-L293 PolarHBondContact O-N 2.74Å; L293-A295 PolarHBondContact O-N 3.49Å; L293-M298 HydrophobicContact CD2-CG 4Å; L293-M298 HydrophobicContact CG-CG 4.42Å; L293-F301 HydrophobicContact CD1-CB 4.11Å; L293-F301 HydrophobicContact CD1-CD2 3.8Å; L293-F301 HydrophobicContact CD1-CG 4.05Å; L293-F301 HydrophobicContact CD2-CB 3.86Å; L293-F301 HydrophobicContact CD2-CD1 4.08Å; L293-F301 HydrophobicContact CD2-CD2 4.33Å; L293-F301 HydrophobicContact CD2-CG 3.83Å |
| 294 | P | 96.4 | Very high | 85.5 | Confident | 8 Ų | 8 | 55.7 Ų | 55.7 | 5% | 0.052 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 136.8 | 171.6 | -23.9 | 35.1 | 0 | 0 | 0 | 110.9 | I136 K139 Q296 G297 | I136-P294 HydrophobicContact CG2-CB 3.8Å; I136-P294 HydrophobicContact CG2-CG 3.73Å; K139-P294 HydrophobicContact CD-CG 4.43Å; P294-Q296 PolarHBondContact O-N 2.87Å; P294-Q296 VanDerWaalsContact O-N 3.16Å; P294-G297 PolarHBondContact O-N 3.43Å |
| 295 | A | 96.6 | Very high | 88.2 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 3% | 0.033 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -59.4 | -32.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y195 L256 R263 L293 G297 M298 | Y195-A295 HydrophobicContact CD2-CB 3.79Å; Y195-A295 HydrophobicContact CE2-CB 3.46Å; Y195-A295 VanDerWaalsContact CE2-CB 3.46Å; Y195-A295 HydrophobicContact CG-CB 4.45Å; L256-A295 HydrophobicContact CD1-CB 4.24Å; R263-A295 HydrophobicContact CB-CB 3.86Å; R263-A295 WeakPolarHBondContact O-CB 3.32Å; R263-A295 PolarHBondContact O-N 3.26Å; L293-A295 PolarHBondContact O-N 3.49Å; A295-G297 PolarHBondContact O-N 3.15Å; A295-M298 HydrophobicContact CB-CE 4Å; A295-M298 HydrophobicContact CB-SD 4.44Å; A295-M298 WeakPolarHBondContact O-CE 3.48Å; A295-M298 WeakPolarHBondContact O-CG 3.46Å; A295-M298 PolarHBondContact O-N 2.9Å |
| 296 | Q | 95.3 | Very high | 90.5 | Very high | 121 Ų | 121 | 44.6 Ų | 44.6 | 57% | 0.565 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -57.7 | -29 | 175.5 | -174.6 | 61.2 | 23.3 | 0 | 0 | 113.3 | P294 | P294-Q296 PolarHBondContact O-N 2.87Å; P294-Q296 VanDerWaalsContact O-N 3.16Å |
| 297 | G | 96.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -98.8 | 9.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114.7 | I136 P294 A295 I299 E300 F301 | I136-G297 WeakPolarHBondContact CD1-O 2.99Å; P294-G297 PolarHBondContact O-N 3.43Å; A295-G297 PolarHBondContact O-N 3.15Å; G297-I299 VanDerWaalsContact C-N 3.3Å; G297-I299 PolarHBondContact O-N 3.01Å; G297-E300 VanDerWaalsContact C-OE2 3.28Å; G297-E300 WeakPolarHBondContact CA-OE2 3.35Å; G297-F301 VanDerWaalsContact O-CB 3.3Å; G297-F301 WeakPolarHBondContact O-CB 3.36Å; G297-F301 PolarHBondContact O-N 3.27Å; G297-F301 VanDerWaalsContact O-N 3.13Å |
| 298 | M | 97.9 | Very high | 94.8 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.4 | -33.7 | -176.8 | -70.5 | -175.6 | -53.4 | 0 | 0 | 112.2 | L188 F191 I192 Y195 L256 L265 L293 A295 R302 | L188-M298 HydrophobicContact CD2-CB 4.43Å; L188-M298 HydrophobicContact CD2-CG 4.42Å; F191-M298 HydrophobicContact CB-SD 4.18Å; I192-M298 HydrophobicContact CD1-CB 4.26Å; I192-M298 HydrophobicContact CG1-CB 3.74Å; I192-M298 HydrophobicContact CG1-CE 4.31Å; Y195-M298 HydrophobicContact CD1-CE 4.28Å; Y195-M298 HydrophobicContact CD2-CE 4.44Å; Y195-M298 HydrophobicContact CG-CE 3.92Å; L256-M298 HydrophobicContact CD1-SD 4.39Å; L265-M298 HydrophobicContact CB-SD 4.17Å; L265-M298 HydrophobicContact CD2-SD 4.33Å; L293-M298 HydrophobicContact CD2-CG 4Å; L293-M298 HydrophobicContact CG-CG 4.42Å; A295-M298 HydrophobicContact CB-CE 4Å; A295-M298 HydrophobicContact CB-SD 4.44Å; A295-M298 WeakPolarHBondContact O-CE 3.48Å; A295-M298 WeakPolarHBondContact O-CG 3.46Å; A295-M298 PolarHBondContact O-N 2.9Å; M298-R302 WeakPolarHBondContact O-CB 3.38Å; M298-R302 PolarHBondContact O-N 2.83Å |
| 299 | I | 97.4 | Very high | 96.2 | Very high | 88 Ų | 88 | 36.1 Ų | 36.1 | 45% | 0.451 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -69.3 | -51.3 | -179.2 | -61.4 | 174.4 | 0 | 0 | 0 | 109.9 | I192 G297 F301 R302 D303 | I192-I299 HydrophobicContact CD1-CB 4.49Å; I192-I299 HydrophobicContact CD1-CG1 3.89Å; I192-I299 HydrophobicContact CG1-CG1 4.03Å; I192-I299 HydrophobicContact CG2-CD1 4.16Å; I192-I299 HydrophobicContact CG2-CG1 3.87Å; G297-I299 VanDerWaalsContact C-N 3.3Å; G297-I299 PolarHBondContact O-N 3.01Å; I299-F301 PolarHBondContact O-N 2.9Å; I299-R302 WeakPolarHBondContact O-CB 3.4Å; I299-R302 PolarHBondContact O-N 2.82Å; I299-R302 VanDerWaalsContact O-N 3.09Å; I299-D303 VanDerWaalsContact O-CG 3.31Å; I299-D303 PolarHBondContact O-N 2.86Å |
| 300 | E | 98.1 | Very high | 96.5 | Very high | 93 Ų | 93 | 39.6 Ų | 39.6 | 44% | 0.435 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.2 | -35.7 | 179.5 | -59.6 | 89.5 | 154.1 | 0 | 0 | 111.5 | V134 G297 A304 | V134-E300 HydrophobicContact CG1-CB 3.95Å; G297-E300 VanDerWaalsContact C-OE2 3.28Å; G297-E300 WeakPolarHBondContact CA-OE2 3.35Å; E300-A304 VanDerWaalsContact O-CB 3.31Å; E300-A304 WeakPolarHBondContact O-CB 3.45Å; E300-A304 PolarHBondContact O-N 2.94Å |
| 301 | F | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.2 | -42.7 | 175 | -161.5 | -87 | 0 | 0 | 0 | 111.9 | F141 L143 I156 L188 I291 L293 G297 I299 A304 L305 | F141-F301 HydrophobicContact CB-CD2 4.41Å; F141-F301 HydrophobicContact CB-CE2 3.97Å; F141-F301 HydrophobicContact CD1-CE2 4.14Å; F141-F301 HydrophobicContact CG-CD2 4.41Å; F141-F301 HydrophobicContact CG-CE2 4.07Å; L143-F301 HydrophobicContact CD1-CD2 4.44Å; L143-F301 HydrophobicContact CD1-CE2 3.77Å; L143-F301 HydrophobicContact CD1-CZ 4.25Å; L143-F301 HydrophobicContact CD2-CE2 4.3Å; L143-F301 HydrophobicContact CD2-CZ 4.17Å; L143-F301 HydrophobicContact CG-CE2 4.34Å; L143-F301 HydrophobicContact CG-CZ 4.34Å; I156-F301 HydrophobicContact CD1-CE1 4.43Å; I156-F301 HydrophobicContact CD1-CZ 3.95Å; I156-F301 HydrophobicContact CG1-CZ 4.38Å; I156-F301 HydrophobicContact CG2-CE2 4.21Å; I156-F301 HydrophobicContact CG2-CZ 3.94Å; L188-F301 HydrophobicContact CD1-CD1 3.86Å; L188-F301 HydrophobicContact CD1-CE1 4.5Å; I291-F301 HydrophobicContact CD1-CZ 4.49Å; L293-F301 HydrophobicContact CD1-CB 4.11Å; L293-F301 HydrophobicContact CD1-CD2 3.8Å; L293-F301 HydrophobicContact CD1-CG 4.05Å; L293-F301 HydrophobicContact CD2-CB 3.86Å; L293-F301 HydrophobicContact CD2-CD1 4.08Å; L293-F301 HydrophobicContact CD2-CD2 4.33Å; L293-F301 HydrophobicContact CD2-CG 3.83Å; G297-F301 VanDerWaalsContact O-CB 3.3Å; G297-F301 WeakPolarHBondContact O-CB 3.36Å; G297-F301 PolarHBondContact O-N 3.27Å; G297-F301 VanDerWaalsContact O-N 3.13Å; I299-F301 PolarHBondContact O-N 2.9Å; F301-A304 WeakPolarHBondContact O-CB 3.16Å; F301-A304 PolarHBondContact O-N 2.86Å; F301-L305 HydrophobicContact CD1-CD1 4.01Å; F301-L305 HydrophobicContact CD1-CG 4.28Å; F301-L305 HydrophobicContact CE1-CD1 3.86Å; F301-L305 HydrophobicContact CE1-CD2 4.45Å; F301-L305 HydrophobicContact CE1-CG 4.15Å; F301-L305 WeakPolarHBondContact O-CG 3.27Å; F301-L305 PolarHBondContact O-N 2.82Å |
| 302 | R | 98.1 | Very high | 96.5 | Very high | 81 Ų | 81 | 46.8 Ų | 46.8 | 31% | 0.306 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.3 | -49.4 | 174.8 | 178.1 | -174.9 | 171.1 | -81.2 | 2.6 | 111.1 | K185 L188 I192 M298 I299 A304 L305 V306 | K185-R302 HydrophobicContact CG-CG 4.42Å; L188-R302 HydrophobicContact CB-CB 4.24Å; L188-R302 HydrophobicContact CB-CG 4.42Å; L188-R302 HydrophobicContact CD1-CB 4.29Å; I192-R302 HydrophobicContact CD1-CB 4.19Å; M298-R302 WeakPolarHBondContact O-CB 3.38Å; M298-R302 PolarHBondContact O-N 2.83Å; I299-R302 WeakPolarHBondContact O-CB 3.4Å; I299-R302 PolarHBondContact O-N 2.82Å; I299-R302 VanDerWaalsContact O-N 3.09Å; R302-A304 PolarHBondContact O-N 2.76Å; R302-L305 WeakPolarHBondContact O-CA 3.1Å; R302-L305 WeakPolarHBondContact O-CB 3.38Å; R302-L305 PolarHBondContact O-N 2.86Å; R302-V306 HydrophobicContact CG-CG2 4.38Å; R302-V306 WeakPolarHBondContact O-CG2 3.42Å; R302-V306 PolarHBondContact O-N 2.75Å |
| 303 | D | 98.2 | Very high | 96 | Very high | 69 Ų | 69 | 45.4 Ų | 45.4 | 37% | 0.369 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.3 | -31.6 | -179.1 | -64.1 | -13.4 | 0 | 0 | 0 | 111.4 | I299 Q307 | I299-D303 VanDerWaalsContact O-CG 3.31Å; I299-D303 PolarHBondContact O-N 2.86Å; D303-Q307 WeakPolarHBondContact O-CG 3.34Å; D303-Q307 PolarHBondContact O-N 3.2Å |
| 304 | A | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.5 | -42.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K132 V134 L143 E300 F301 R302 L308 | K132-A304 HydrophobicContact CD-CB 3.77Å; K132-A304 HydrophobicContact CG-CB 4.37Å; V134-A304 HydrophobicContact CG2-CB 3.63Å; L143-A304 HydrophobicContact CD2-CB 4.05Å; E300-A304 VanDerWaalsContact O-CB 3.31Å; E300-A304 WeakPolarHBondContact O-CB 3.45Å; E300-A304 PolarHBondContact O-N 2.94Å; F301-A304 WeakPolarHBondContact O-CB 3.16Å; F301-A304 PolarHBondContact O-N 2.86Å; R302-A304 PolarHBondContact O-N 2.76Å; A304-L308 WeakPolarHBondContact O-CG 3.41Å; A304-L308 PolarHBondContact O-N 3.44Å |
| 305 | L | 97.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.7 | -43.5 | 174.5 | -69.4 | 176.3 | 0 | 0 | 0 | 112 | L143 L154 L184 K185 L188 F301 R302 Q307 L308 I309 | L143-L305 HydrophobicContact CD2-CD2 3.86Å; L143-L305 HydrophobicContact CD2-CG 4.33Å; L154-L305 HydrophobicContact CD2-CD2 3.39Å; L184-L305 HydrophobicContact CD2-CD1 4.01Å; L184-L305 HydrophobicContact CG-CD1 4.01Å; K185-L305 HydrophobicContact CB-CB 4.33Å; K185-L305 HydrophobicContact CB-CD1 4.48Å; L188-L305 HydrophobicContact CD1-CD1 3.75Å; F301-L305 HydrophobicContact CD1-CD1 4.01Å; F301-L305 HydrophobicContact CD1-CG 4.28Å; F301-L305 HydrophobicContact CE1-CD1 3.86Å; F301-L305 HydrophobicContact CE1-CD2 4.45Å; F301-L305 HydrophobicContact CE1-CG 4.15Å; F301-L305 WeakPolarHBondContact O-CG 3.27Å; F301-L305 PolarHBondContact O-N 2.82Å; R302-L305 WeakPolarHBondContact O-CA 3.1Å; R302-L305 WeakPolarHBondContact O-CB 3.38Å; R302-L305 PolarHBondContact O-N 2.86Å; L305-Q307 PolarHBondContact O-N 2.8Å; L305-L308 PolarHBondContact O-N 2.77Å; L305-I309 HydrophobicContact CB-CD1 4.19Å; L305-I309 WeakPolarHBondContact O-CB 3.46Å; L305-I309 VanDerWaalsContact O-CD1 3.31Å; L305-I309 WeakPolarHBondContact O-CD1 3.31Å; L305-I309 WeakPolarHBondContact O-CG1 3.34Å; L305-I309 PolarHBondContact O-N 2.82Å |
| 306 | V | 97.3 | Very high | 90.6 | Very high | 24 Ų | 24 | 53.2 Ų | 53.2 | 15% | 0.145 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -52.7 | -54 | 178.4 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | K185 R302 L308 I309 E310 | K185-V306 HydrophobicContact CD-CG2 3.64Å; K185-V306 HydrophobicContact CG-CG2 3.89Å; R302-V306 HydrophobicContact CG-CG2 4.38Å; R302-V306 WeakPolarHBondContact O-CG2 3.42Å; R302-V306 PolarHBondContact O-N 2.75Å; V306-L308 PolarHBondContact O-N 2.94Å; V306-I309 PolarHBondContact O-N 2.96Å; V306-E310 HydrophobicContact CG1-CG 4.35Å; V306-E310 VanDerWaalsContact CG1-OE1 3.23Å; V306-E310 WeakPolarHBondContact CG1-OE1 3.32Å; V306-E310 WeakPolarHBondContact O-CG 3.05Å; V306-E310 PolarHBondContact O-N 3Å |
| 307 | Q | 96.6 | Very high | 88.4 | Confident | 98 Ų | 98 | 50.3 Ų | 50.3 | 46% | 0.458 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 179.8 | -69.7 | -179.2 | -1.1 | 0 | 0 | 112.4 | K132 D303 L305 I309 E310 D311 | K132-Q307 VanDerWaalsContact NZ-CD 3.35Å; D303-Q307 WeakPolarHBondContact O-CG 3.34Å; D303-Q307 PolarHBondContact O-N 3.2Å; L305-Q307 PolarHBondContact O-N 2.8Å; Q307-I309 VanDerWaalsContact C-N 3.29Å; Q307-I309 PolarHBondContact O-N 2.65Å; Q307-E310 PolarHBondContact O-N 2.88Å; Q307-D311 WeakPolarHBondContact O-CB 3.39Å; Q307-D311 VanDerWaalsContact O-CG 3.27Å; Q307-D311 PolarHBondContact O-N 3Å |
| 308 | L | 96.4 | Very high | 86 | Confident | 11 Ų | 11 | 57.6 Ų | 57.6 | 6% | 0.058 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.8 | -32.3 | 179.5 | -69.5 | 173.7 | 0 | 0 | 0 | 112.7 | A130 K132 L143 V145 L154 A304 L305 V306 Y312 | A130-L308 HydrophobicContact CB-CD2 3.93Å; K132-L308 HydrophobicContact CB-CD1 4.2Å; K132-L308 HydrophobicContact CB-CD2 4.39Å; L143-L308 HydrophobicContact CB-CD1 3.76Å; L143-L308 HydrophobicContact CD2-CD1 4.07Å; V145-L308 HydrophobicContact CG2-CB 4.11Å; V145-L308 HydrophobicContact CG2-CD1 4.17Å; V145-L308 HydrophobicContact CG2-CD2 3.88Å; V145-L308 HydrophobicContact CG2-CG 4.28Å; L154-L308 HydrophobicContact CD1-CD1 4.17Å; A304-L308 WeakPolarHBondContact O-CG 3.41Å; A304-L308 PolarHBondContact O-N 3.44Å; L305-L308 PolarHBondContact O-N 2.77Å; V306-L308 PolarHBondContact O-N 2.94Å; L308-Y312 HydrophobicContact CD2-CD2 4.42Å; L308-Y312 HydrophobicContact CD2-CE2 4.43Å; L308-Y312 WeakPolarHBondContact O-CB 3.31Å; L308-Y312 WeakPolarHBondContact O-CD2 3.23Å; L308-Y312 PolarHBondContact O-N 3.28Å |
| 309 | I | 95.4 | Very high | 83.7 | Confident | 30 Ų | 30 | 65.9 Ų | 65.9 | 15% | 0.154 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -75.9 | -39.8 | 177.2 | -66.8 | 158.8 | 0 | 0 | 0 | 110.4 | A181 A182 K185 L305 V306 Q307 D311 G313 | A181-I309 HydrophobicContact CB-CD1 4.45Å; A182-I309 HydrophobicContact CB-CD1 4.27Å; K185-I309 HydrophobicContact CB-CD1 4.06Å; K185-I309 HydrophobicContact CD-CD1 3.96Å; L305-I309 HydrophobicContact CB-CD1 4.19Å; L305-I309 WeakPolarHBondContact O-CB 3.46Å; L305-I309 VanDerWaalsContact O-CD1 3.31Å; L305-I309 WeakPolarHBondContact O-CD1 3.31Å; L305-I309 WeakPolarHBondContact O-CG1 3.34Å; L305-I309 PolarHBondContact O-N 2.82Å; V306-I309 PolarHBondContact O-N 2.96Å; Q307-I309 VanDerWaalsContact C-N 3.29Å; Q307-I309 PolarHBondContact O-N 2.65Å; I309-D311 VanDerWaalsContact C-N 3.35Å; I309-G313 WeakPolarHBondContact O-CA 3.15Å; I309-G313 PolarHBondContact O-N 3.23Å |
| 310 | E | 94.5 | Very high | 81.4 | Confident | 137 Ų | 137 | 71 Ų | 71 | 64% | 0.64 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.2 | -43 | 174.9 | -72.9 | 170.3 | 174.8 | 0 | 0 | 111.4 | V306 Q307 | V306-E310 HydrophobicContact CG1-CG 4.35Å; V306-E310 VanDerWaalsContact CG1-OE1 3.23Å; V306-E310 WeakPolarHBondContact CG1-OE1 3.32Å; V306-E310 WeakPolarHBondContact O-CG 3.05Å; V306-E310 PolarHBondContact O-N 3Å; Q307-E310 PolarHBondContact O-N 2.88Å |
| 311 | D | 93.6 | Very high | 79.1 | Confident | 112 Ų | 112 | 76.6 Ų | 76.6 | 60% | 0.599 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -77.1 | -33.8 | -177.6 | -67.5 | -21.6 | 0 | 0 | 0 | 113.1 | Q307 I309 | Q307-D311 WeakPolarHBondContact O-CB 3.39Å; Q307-D311 VanDerWaalsContact O-CG 3.27Å; Q307-D311 PolarHBondContact O-N 3Å; I309-D311 VanDerWaalsContact C-N 3.35Å |
| 312 | Y | 93.6 | Very high | 76.4 | Confident | 63 Ų | 63 | 79.9 Ų | 79.9 | 25% | 0.247 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -128.3 | -5.6 | -168.5 | -58 | -81.3 | 0 | 0 | 0 | 115.7 | L129 A130 V145 R152 L178 L308 E314 | L129-Y312 HydrophobicContact CB-CD1 4.01Å; L129-Y312 HydrophobicContact CB-CE1 3.84Å; L129-Y312 HydrophobicContact CD1-CD1 4.1Å; L129-Y312 PolarHBondContact O-OH 2.84Å; A130-Y312 HydrophobicContact CB-CD2 4.19Å; A130-Y312 HydrophobicContact CB-CE2 3.41Å; A130-Y312 VanDerWaalsContact CB-CE2 3.41Å; V145-Y312 HydrophobicContact CG1-CG 4.1Å; V145-Y312 HydrophobicContact CG2-CD2 4.43Å; R152-Y312 PolarHBondContact NH1-O 2.91Å; L178-Y312 VanDerWaalsContact CD2-C 3.48Å; L178-Y312 VanDerWaalsContact CD2-O 3.27Å; L178-Y312 WeakPolarHBondContact CD2-O 3.5Å; L308-Y312 HydrophobicContact CD2-CD2 4.42Å; L308-Y312 HydrophobicContact CD2-CE2 4.43Å; L308-Y312 WeakPolarHBondContact O-CB 3.31Å; L308-Y312 WeakPolarHBondContact O-CD2 3.23Å; L308-Y312 PolarHBondContact O-N 3.28Å; Y312-E314 VanDerWaalsContact C-N 3.33Å; Y312-E314 PolarHBondContact O-N 3.05Å |
| 313 | G | 83.1 | Confident | 73.8 | Confident | 10 Ų | 10 | 78.5 Ų | 78.5 | 10% | 0.103 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -66.1 | -28.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | I309 G315 | I309-G313 WeakPolarHBondContact O-CA 3.15Å; I309-G313 PolarHBondContact O-N 3.23Å; G313-G315 PolarHBondContact O-N 3.46Å |
| 314 | E | 67.2 | Low | 71.4 | Confident | 101 Ų | 101 | 83.6 Ų | 83.6 | 47% | 0.472 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -76.1 | -6.2 | -173.3 | -58 | -46.8 | -111.9 | 0 | 0 | 114.3 | Y312 D316 I317 E318 | Y312-E314 VanDerWaalsContact C-N 3.33Å; Y312-E314 PolarHBondContact O-N 3.05Å; E314-D316 PolarHBondContact O-N 3.18Å; E314-I317 CarbonylContact O-C 3.23Å; E314-I317 PolarHBondContact O-N 3.48Å; E314-I317 WeakPolarHBondContact OE2-CD1 3.43Å; E314-E318 PolarHBondContact O-N 2.88Å |
| 315 | G | 56.7 | Low | 69 | Low | 25 Ų | 25 | 91.1 Ų | 91.1 | 26% | 0.258 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -63.7 | -23.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | G313 | G313-G315 PolarHBondContact O-N 3.46Š|
| 316 | D | 53.2 | Low | 66.6 | Low | 50 Ų | 50 | 97.5 Ų | 97.5 | 27% | 0.267 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -91.3 | -9.6 | 174.8 | -73.6 | -7.7 | 0 | 0 | 0 | 112.3 | E314 R320 | E314-D316 PolarHBondContact O-N 3.18Å; D316-R320 PolarHBondContact O-NH1 2.82Å; D316-R320 VanDerWaalsContact O-NH1 3.16Å |
| 317 | I | 49.2 | Very low | 64.7 | Low | 61 Ų | 61 | 101.2 Ų | 101.2 | 31% | 0.313 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -28.6 | -173.9 | -31 | -174.2 | 0 | 0 | 0 | 111.9 | E314 E319 R320 R321 | E314-I317 CarbonylContact O-C 3.23Å; E314-I317 PolarHBondContact O-N 3.48Å; E314-I317 WeakPolarHBondContact OE2-CD1 3.43Å; I317-E319 PolarHBondContact O-N 2.87Å; I317-R320 CarbonylContact O-C 3.52Å; I317-R320 VanDerWaalsContact O-C 3.23Å; I317-R320 VanDerWaalsContact O-CA 3.26Å; I317-R320 WeakPolarHBondContact O-CA 3.42Å; I317-R320 WeakPolarHBondContact O-CB 3.41Å; I317-R320 PolarHBondContact O-N 2.81Å; I317-R321 HydrophobicContact CG2-CB 4.46Å; I317-R321 HydrophobicContact CG2-CG 3.99Å; I317-R321 WeakPolarHBondContact O-CB 3.33Å; I317-R321 PolarHBondContact O-N 2.87Å |
| 318 | E | 45.6 | Very low | 62.9 | Low | 153 Ų | 153 | 102.4 Ų | 102.4 | 72% | 0.715 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.3 | -29.8 | 171.9 | -78.8 | -137 | 146.3 | 0 | 0 | 112 | E314 R320 R321 G322 | E314-E318 PolarHBondContact O-N 2.88Å; E318-R320 PolarHBondContact O-N 2.81Å; E318-R321 PolarHBondContact O-N 3.33Å; E318-G322 PolarHBondContact O-N 3.5Å |
| 319 | E | 48.4 | Very low | 60.9 | Low | 177 Ų | 177 | 111 Ų | 111 | 83% | 0.827 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.8 | -9.8 | 168.4 | -149.4 | -176.3 | -153.9 | 0 | 0 | 112.8 | I317 | I317-E319 PolarHBondContact O-N 2.87Å |
| 320 | R | 49.8 | Very low | 59.4 | Low | 196 Ų | 196 | 111.8 Ų | 111.8 | 74% | 0.74 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -119.8 | -5.6 | 178.1 | -71.9 | -172.8 | 174.7 | 79.3 | 6.7 | 114.9 | D316 I317 E318 | D316-R320 PolarHBondContact O-NH1 2.82Å; D316-R320 VanDerWaalsContact O-NH1 3.16Å; I317-R320 CarbonylContact O-C 3.52Å; I317-R320 VanDerWaalsContact O-C 3.23Å; I317-R320 VanDerWaalsContact O-CA 3.26Å; I317-R320 WeakPolarHBondContact O-CA 3.42Å; I317-R320 WeakPolarHBondContact O-CB 3.41Å; I317-R320 PolarHBondContact O-N 2.81Å; E318-R320 PolarHBondContact O-N 2.81Å |
| 321 | R | 49.3 | Very low | 58.1 | Low | 209 Ų | 209 | 109.6 Ų | 109.6 | 79% | 0.789 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -131.7 | -3 | -175.9 | -83.4 | -171.2 | 173.9 | -157.8 | -2.6 | 114 | I317 E318 | I317-R321 HydrophobicContact CG2-CB 4.46Å; I317-R321 HydrophobicContact CG2-CG 3.99Å; I317-R321 WeakPolarHBondContact O-CB 3.33Å; I317-R321 PolarHBondContact O-N 2.87Å; E318-R321 PolarHBondContact O-N 3.33Å |
| 322 | G | 42.5 | Very low | 56.8 | Low | 70 Ų | 70 | 112.8 Ų | 112.8 | 72% | 0.722 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -93.6 | 88.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | E318 | E318-G322 PolarHBondContact O-N 3.5Š|
| 323 | G | 42.7 | Very low | 55.8 | Low | 51 Ų | 51 | 111.7 Ų | 111.7 | 53% | 0.526 | 60% | 0.596 | S | S | . | * | trans | 122 | 77.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D325 | G323-D325 PolarHBondContact O-N 3.36Š| ||
| 324 | D | 48.8 | Very low | 55.4 | Low | 177 Ų | 177 | 115.7 Ų | 115.7 | 95% | 0.947 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 23.9 | 164.1 | -146.6 | 19.7 | 0 | 0 | 0 | 112.1 | ||
| 325 | D | 46.5 | Very low | 55.8 | Low | 158 Ų | 158 | 113.3 Ų | 113.3 | 85% | 0.845 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -162.6 | 19.2 | -178.2 | -115.9 | -29.7 | 0 | 0 | 0 | 114.6 | G323 | G323-D325 PolarHBondContact O-N 3.36Š|
| 326 | D | 47.7 | Very low | 56.8 | Low | 134 Ų | 134 | 118.4 Ų | 118.4 | 72% | 0.717 | 63% | 0.629 | S | S | * | * | trans | -113.4 | 99.3 | 166.5 | -154.4 | 31.8 | 0 | 0 | 0 | 108.1 | L328 | D326-L328 PolarHBondContact O-N 3.13Å; D326-L328 VanDerWaalsContact O-N 3.08Å | ||
| 327 | P | 58.1 | Low | 57.8 | Low | 103 Ų | 103 | 123 Ų | 123 | 67% | 0.669 | 64% | 0.643 | S | S | * | * | trans | -52 | 122.5 | 168.3 | -19.2 | 30.3 | 0 | 0 | 0 | 106.6 | E329 | P327-E329 PolarHBondContact O-N 2.9Š| ||
| 328 | L | 57.9 | Low | 59.2 | Low | 122 Ų | 122 | 123.2 Ų | 123.2 | 64% | 0.639 | 65% | 0.646 | S | S | * | * | trans | -42.8 | 109.8 | 167.1 | -71.6 | 169.3 | 0 | 0 | 0 | 106.2 | D326 L330 | D326-L328 PolarHBondContact O-N 3.13Å; D326-L328 VanDerWaalsContact O-N 3.08Å; L328-L330 HydrophobicContact CB-CD2 4.39Å; L328-L330 HydrophobicContact CB-CG 4.48Å; L328-L330 WeakPolarHBondContact O-CG 3.44Å; L328-L330 PolarHBondContact O-N 2.8Å | ||
| 329 | E | 54.6 | Low | 60.8 | Low | 193 Ų | 193 | 123.3 Ų | 123.3 | 90% | 0.902 | 65% | 0.652 | S | S | * | * | trans | -72.5 | 81.9 | -172.3 | -153.4 | -178 | -159.2 | 0 | 0 | 106.3 | P327 | P327-E329 PolarHBondContact O-N 2.9Š| ||
| 330 | L | 65.2 | Low | 62 | Low | 45 Ų | 45 | 120.2 Ų | 120.2 | 24% | 0.236 | 64% | 0.641 | C | S | . | * | P | Polyproline II helix | trans | -69.8 | 139 | 179.6 | -65.1 | 178.7 | 0 | 0 | 0 | 106.7 | L328 E332 V347 G348 I354 | L328-L330 HydrophobicContact CB-CD2 4.39Å; L328-L330 HydrophobicContact CB-CG 4.48Å; L328-L330 WeakPolarHBondContact O-CG 3.44Å; L328-L330 PolarHBondContact O-N 2.8Å; L330-E332 PolarHBondContact O-N 2.85Å; L330-V347 HydrophobicContact CB-CB 4.4Å; L330-V347 HydrophobicContact CB-CG1 4.28Å; L330-V347 HydrophobicContact CD1-CG1 4.47Å; L330-V347 WeakPolarHBondContact CD1-O 3.44Å; L330-V347 HydrophobicContact CD2-CG1 4.09Å; L330-G348 VanDerWaalsContact CD1-C 3.5Å; L330-I354 HydrophobicContact CD2-CD1 4.1Å; L330-I354 HydrophobicContact CD2-CG1 4.23Å; L330-I354 HydrophobicContact CD2-CG2 4.19Å |
| 331 | P | 66.5 | Low | 62.9 | Low | 91 Ų | 91 | 116.2 Ų | 116.2 | 59% | 0.591 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 130.5 | 175.4 | -26.3 | 33 | 0 | 0 | 0 | 110.3 | G333 V347 | P331-G333 PolarHBondContact O-N 3.48Å; P331-V347 HydrophobicContact CB-CG2 4.46Å |
| 332 | E | 67.4 | Low | 64.2 | Low | 179 Ų | 179 | 110.5 Ų | 110.5 | 84% | 0.836 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 134.4 | 177.3 | -167.2 | 178.8 | 178.5 | 0 | 0 | 109.1 | L330 T334 | L330-E332 PolarHBondContact O-N 2.85Å; E332-T334 PolarHBondContact O-N 2.77Å; E332-T334 VanDerWaalsContact O-N 3.16Å |
| 333 | G | 71.9 | Confident | 66 | Low | 40 Ų | 40 | 110.3 Ų | 110.3 | 41% | 0.412 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -53.9 | 123.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | P331 F345 | P331-G333 PolarHBondContact O-N 3.48Å; G333-F345 CarbonylContact C-O 3.57Å; G333-F345 WeakPolarHBondContact CA-O 3.35Å |
| 334 | T | 73.9 | Confident | 67.8 | Low | 95 Ų | 95 | 112.2 Ų | 112.2 | 58% | 0.583 | 58% | 0.579 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.5 | 151.4 | 179.9 | 54.1 | 0 | 0 | 0 | 0 | 109.8 | E332 F345 | E332-T334 PolarHBondContact O-N 2.77Å; E332-T334 VanDerWaalsContact O-N 3.16Å; T334-F345 PolarHBondContact N-O 3.26Å; T334-F345 WeakPolarHBondContact O-CB 3.27Å; T334-F345 PolarHBondContact O-N 3.29Å |
| 335 | S | 75.8 | Confident | 69.5 | Low | 51 Ų | 51 | 106.8 Ų | 106.8 | 36% | 0.357 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 135.5 | 172.7 | 73.5 | 0 | 0 | 0 | 0 | 111.5 | R342 F343 | S335-R342 PolarHBondContact OG-NH1 2.91Å; S335-F343 CarbonylContact C-O 3.54Å; S335-F343 WeakPolarHBondContact CA-O 3.4Å; S335-F343 WeakPolarHBondContact CB-O 2.84Å |
| 336 | F | 77.1 | Confident | 71.2 | Confident | 132 Ų | 132 | 102 Ų | 102 | 58% | 0.579 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 138.7 | 177.4 | -166.4 | -106.5 | 0 | 0 | 0 | 109.7 | V338 F343 F345 | F336-V338 HydrophobicContact CD1-CG2 3.52Å; F336-V338 HydrophobicContact CE1-CG2 3.51Å; F336-F343 PolarHBondContact N-O 3.01Å; F336-F343 PolarHBondContact O-N 3.16Å; F336-F345 HydrophobicContact CB-CE2 3.93Å |
| 337 | R | 75.4 | Confident | 72.6 | Confident | 146 Ų | 146 | 97.8 Ų | 97.8 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 125.5 | 176.9 | -66.9 | -179.4 | 80.8 | 146.2 | -0.8 | 109 | K341 R342 | R337-K341 WeakPolarHBondContact CA-O 3.43Å; R337-R342 HydrophobicContact CG-CB 4.21Å; R337-R342 HydrophobicContact CG-CG 4.06Å |
| 338 | V | 78.6 | Confident | 73.5 | Confident | 65 Ų | 65 | 93.6 Ų | 93.6 | 39% | 0.394 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 121.8 | 167.6 | -172.2 | 0 | 0 | 0 | 0 | 106.4 | F336 N340 K341 F343 | F336-V338 HydrophobicContact CD1-CG2 3.52Å; F336-V338 HydrophobicContact CE1-CG2 3.51Å; V338-N340 PolarHBondContact O-N 3.29Å; V338-K341 PolarHBondContact N-O 3.35Å; V338-K341 PolarHBondContact O-N 3.42Å; V338-F343 HydrophobicContact CB-CE2 4.08Å; V338-F343 HydrophobicContact CG2-CD2 4.37Å; V338-F343 HydrophobicContact CG2-CE2 4.16Å |
| 339 | D | 79.7 | Confident | 74.3 | Confident | 155 Ų | 155 | 90.6 Ų | 90.6 | 83% | 0.829 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | -126.7 | -172 | -50.9 | -42.1 | 0 | 0 | 0 | 112.4 | ||
| 340 | N | 73.6 | Confident | 75.2 | Confident | 113 Ų | 113 | 85.1 Ų | 85.1 | 60% | 0.604 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 13 | 178.7 | -139.7 | 16.4 | 0 | 0 | 0 | 113.2 | V338 | V338-N340 PolarHBondContact O-N 3.29Š|
| 341 | K | 68.4 | Low | 75.2 | Confident | 111 Ų | 111 | 91.4 Ų | 91.4 | 48% | 0.483 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 144.6 | 178.9 | -70.5 | -177.1 | -179.4 | 178.3 | 0 | 110.8 | R337 V338 F343 | R337-K341 WeakPolarHBondContact CA-O 3.43Å; V338-K341 PolarHBondContact N-O 3.35Å; V338-K341 PolarHBondContact O-N 3.42Å; K341-F343 HydrophobicContact CB-CE2 4.3Å |
| 342 | R | 76.6 | Confident | 75 | Confident | 90 Ų | 90 | 96.1 Ų | 96.1 | 34% | 0.34 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 129.9 | 174.9 | -173.5 | -175.9 | -72.2 | -108.8 | 13.2 | 108.3 | S335 R337 Y344 | S335-R342 PolarHBondContact OG-NH1 2.91Å; R337-R342 HydrophobicContact CG-CB 4.21Å; R337-R342 HydrophobicContact CG-CG 4.06Å; R342-Y344 HydrophobicContact CB-CE2 4.45Å; R342-Y344 VanDerWaalsContact CD-OH 3.28Å; R342-Y344 WeakPolarHBondContact CD-OH 3.48Å; R342-Y344 HydrophobicContact CG-CE1 4.44Å; R342-Y344 HydrophobicContact CG-CE2 4.13Å |
| 343 | F | 80.7 | Confident | 75.1 | Confident | 66 Ų | 66 | 89.3 Ų | 89.3 | 29% | 0.289 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 128.8 | 174.5 | -62.8 | -91.3 | 0 | 0 | 0 | 108.1 | S335 F336 V338 K341 F345 N360 | S335-F343 CarbonylContact C-O 3.54Å; S335-F343 WeakPolarHBondContact CA-O 3.4Å; S335-F343 WeakPolarHBondContact CB-O 2.84Å; F336-F343 PolarHBondContact N-O 3.01Å; F336-F343 PolarHBondContact O-N 3.16Å; V338-F343 HydrophobicContact CB-CE2 4.08Å; V338-F343 HydrophobicContact CG2-CD2 4.37Å; V338-F343 HydrophobicContact CG2-CE2 4.16Å; K341-F343 HydrophobicContact CB-CE2 4.3Å; F343-F345 HydrophobicContact CB-CD2 4.47Å; F343-F345 HydrophobicContact CB-CE2 3.71Å; F343-F345 HydrophobicContact CB-CZ 4.14Å; F343-N360 HydrophobicContact CD1-CB 4.35Å; F343-N360 HydrophobicContact CE1-CB 4.34Å; F343-N360 WeakPolarHBondContact CE1-ND2 3.27Å |
| 344 | Y | 79.1 | Confident | 75.4 | Confident | 91 Ų | 91 | 92.9 Ų | 92.9 | 36% | 0.357 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 132.4 | 173.5 | -61.6 | -89.9 | 0 | 0 | 0 | 109.1 | R342 L358 T359 Y361 | R342-Y344 HydrophobicContact CB-CE2 4.45Å; R342-Y344 VanDerWaalsContact CD-OH 3.28Å; R342-Y344 WeakPolarHBondContact CD-OH 3.48Å; R342-Y344 HydrophobicContact CG-CE1 4.44Å; R342-Y344 HydrophobicContact CG-CE2 4.13Å; Y344-L358 WeakPolarHBondContact O-CA 3.23Å; Y344-T359 PolarHBondContact N-O 3.02Å; Y344-T359 VanDerWaalsContact N-O 3.07Å; Y344-T359 PolarHBondContact O-N 2.87Å; Y344-Y361 HydrophobicContact CD2-CD2 4.44Å; Y344-Y361 HydrophobicContact CE2-CD2 4.29Å |
| 345 | F | 84.9 | Confident | 75.3 | Confident | 63 Ų | 63 | 92.6 Ų | 92.6 | 28% | 0.276 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 88.3 | -179 | -63.9 | -95.8 | 0 | 0 | 0 | 107.5 | G333 T334 F336 F343 L356 L358 | G333-F345 CarbonylContact C-O 3.57Å; G333-F345 WeakPolarHBondContact CA-O 3.35Å; T334-F345 PolarHBondContact N-O 3.26Å; T334-F345 WeakPolarHBondContact O-CB 3.27Å; T334-F345 PolarHBondContact O-N 3.29Å; F336-F345 HydrophobicContact CB-CE2 3.93Å; F343-F345 HydrophobicContact CB-CD2 4.47Å; F343-F345 HydrophobicContact CB-CE2 3.71Å; F343-F345 HydrophobicContact CB-CZ 4.14Å; F345-L356 HydrophobicContact CB-CD1 4.12Å; F345-L356 HydrophobicContact CD1-CD2 4.27Å; F345-L358 HydrophobicContact CD1-CD2 3.22Å; F345-L358 HydrophobicContact CE1-CD2 3.2Å; F345-L358 HydrophobicContact CG-CD2 4.13Å; F345-L358 HydrophobicContact CZ-CD2 4.09Å |
| 346 | D | 82.4 | Confident | 75.6 | Confident | 58 Ų | 58 | 93.6 Ų | 93.6 | 31% | 0.31 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 118.5 | -178.6 | -47.2 | -57.1 | 0 | 0 | 0 | 108.9 | K357 | D346-K357 HydrophobicContact CB-CB 4.22Å; D346-K357 PolarHBondContact N-O 3.14Å; D346-K357 PolarHBondContact O-N 2.98Å |
| 347 | V | 77.3 | Confident | 75.6 | Confident | 45 Ų | 45 | 92.2 Ų | 92.2 | 27% | 0.273 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 122.1 | 171.4 | -173.2 | 0 | 0 | 0 | 0 | 107.5 | L330 P331 I354 L356 | L330-V347 HydrophobicContact CB-CB 4.4Å; L330-V347 HydrophobicContact CB-CG1 4.28Å; L330-V347 HydrophobicContact CD1-CG1 4.47Å; L330-V347 WeakPolarHBondContact CD1-O 3.44Å; L330-V347 HydrophobicContact CD2-CG1 4.09Å; P331-V347 HydrophobicContact CB-CG2 4.46Å; V347-I354 HydrophobicContact CG1-CG2 3.48Å; V347-I354 VanDerWaalsContact CG1-CG2 3.48Å; V347-L356 HydrophobicContact CG2-CD1 3.93Å |
| 348 | G | 76.7 | Confident | 75.5 | Confident | 15 Ų | 15 | 87.7 Ų | 87.7 | 16% | 0.155 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 160.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L330 I354 F355 | L330-G348 VanDerWaalsContact CD1-C 3.5Å; G348-I354 CarbonylContact O-C 3.53Å; G348-I354 WeakPolarHBondContact O-CA 3.29Å; G348-F355 VanDerWaalsContact C-CE1 3.44Å; G348-F355 PolarHBondContact N-O 2.83Å; G348-F355 VanDerWaalsContact O-CD1 3.31Å; G348-F355 WeakPolarHBondContact O-CD1 3.22Å; G348-F355 PolarHBondContact O-N 2.78Å; G348-F355 VanDerWaalsContact O-O 3.11Å |
| 349 | S | 74.9 | Confident | 75.4 | Confident | 59 Ų | 59 | 85.7 Ų | 85.7 | 41% | 0.413 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 143.4 | 173.6 | 64.2 | 0 | 0 | 0 | 0 | 109.8 | ||
| 350 | N | 73.1 | Confident | 74.6 | Confident | 78 Ų | 78 | 80.9 Ų | 80.9 | 42% | 0.417 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 175.5 | 170.4 | 65.6 | 36.5 | 0 | 0 | 0 | 109.4 | Y352 G353 F355 | N350-Y352 PolarHBondContact O-N 2.82Å; N350-Y352 VanDerWaalsContact OD1-CA 3.27Å; N350-Y352 WeakPolarHBondContact OD1-CA 3.25Å; N350-Y352 VanDerWaalsContact OD1-CB 3.25Å; N350-Y352 WeakPolarHBondContact OD1-CB 3.17Å; N350-Y352 PolarHBondContact OD1-N 2.93Å; N350-G353 PolarHBondContact N-O 3.2Å; N350-G353 PolarHBondContact O-N 3.37Å; N350-G353 PolarHBondContact OD1-N 3.12Å; N350-G353 VanDerWaalsContact OD1-N 3.12Å; N350-G353 PolarHBondContact OD1-O 3.37Å; N350-F355 HydrophobicContact CB-CD1 4.26Å; N350-F355 HydrophobicContact CB-CE1 3.92Å; N350-F355 WeakPolarHBondContact ND2-CD1 3.47Å |
| 351 | K | 64.9 | Low | 73.6 | Confident | 177 Ų | 177 | 83.2 Ų | 83.2 | 77% | 0.77 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -12 | 179.1 | 69.7 | -178.7 | -174.6 | 178.2 | 0 | 115 | ||
| 352 | Y | 62.9 | Low | 73 | Confident | 190 Ų | 190 | 79.7 Ų | 79.7 | 75% | 0.745 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | -5.7 | 178.3 | -53.7 | -72 | 0 | 0 | 0 | 113.3 | N350 | N350-Y352 PolarHBondContact O-N 2.82Å; N350-Y352 VanDerWaalsContact OD1-CA 3.27Å; N350-Y352 WeakPolarHBondContact OD1-CA 3.25Å; N350-Y352 VanDerWaalsContact OD1-CB 3.25Å; N350-Y352 WeakPolarHBondContact OD1-CB 3.17Å; N350-Y352 PolarHBondContact OD1-N 2.93Å |
| 353 | G | 68.4 | Low | 71.7 | Confident | 36 Ų | 36 | 84 Ų | 84 | 37% | 0.371 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 133.3 | -172.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | N350 | N350-G353 PolarHBondContact N-O 3.2Å; N350-G353 PolarHBondContact O-N 3.37Å; N350-G353 PolarHBondContact OD1-N 3.12Å; N350-G353 VanDerWaalsContact OD1-N 3.12Å; N350-G353 PolarHBondContact OD1-O 3.37Å |
| 354 | I | 78.5 | Confident | 70.2 | Confident | 115 Ų | 115 | 84.6 Ų | 84.6 | 59% | 0.59 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 136.3 | 175.3 | -57.3 | 172.7 | 0 | 0 | 0 | 109.1 | L330 V347 G348 | L330-I354 HydrophobicContact CD2-CD1 4.1Å; L330-I354 HydrophobicContact CD2-CG1 4.23Å; L330-I354 HydrophobicContact CD2-CG2 4.19Å; V347-I354 HydrophobicContact CG1-CG2 3.48Å; V347-I354 VanDerWaalsContact CG1-CG2 3.48Å; G348-I354 CarbonylContact O-C 3.53Å; G348-I354 WeakPolarHBondContact O-CA 3.29Å |
| 355 | F | 72.1 | Confident | 68.5 | Low | 88 Ų | 88 | 92.6 Ų | 92.6 | 39% | 0.386 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 154.3 | 178.7 | 65.3 | -89 | 0 | 0 | 0 | 110.8 | G348 N350 K357 | G348-F355 VanDerWaalsContact C-CE1 3.44Å; G348-F355 PolarHBondContact N-O 2.83Å; G348-F355 VanDerWaalsContact O-CD1 3.31Å; G348-F355 WeakPolarHBondContact O-CD1 3.22Å; G348-F355 PolarHBondContact O-N 2.78Å; G348-F355 VanDerWaalsContact O-O 3.11Å; N350-F355 HydrophobicContact CB-CD1 4.26Å; N350-F355 HydrophobicContact CB-CE1 3.92Å; N350-F355 WeakPolarHBondContact ND2-CD1 3.47Å; F355-K357 HydrophobicContact CD2-CB 4.45Å; F355-K357 HydrophobicContact CE2-CB 4.22Å |
| 356 | L | 81.9 | Confident | 66.6 | Low | 72 Ų | 72 | 96.7 Ų | 96.7 | 38% | 0.377 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 119.6 | 172.8 | -175.8 | 66.8 | 0 | 0 | 0 | 108.9 | F345 V347 | F345-L356 HydrophobicContact CB-CD1 4.12Å; F345-L356 HydrophobicContact CD1-CD2 4.27Å; V347-L356 HydrophobicContact CG2-CD1 3.93Å |
| 357 | K | 78.1 | Confident | 64.6 | Low | 104 Ų | 104 | 99.9 Ų | 99.9 | 45% | 0.452 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 121.9 | 173 | -177.1 | -173.8 | 178.2 | -169.9 | 0 | 108.9 | D346 F355 | D346-K357 HydrophobicContact CB-CB 4.22Å; D346-K357 PolarHBondContact N-O 3.14Å; D346-K357 PolarHBondContact O-N 2.98Å; F355-K357 HydrophobicContact CD2-CB 4.45Å; F355-K357 HydrophobicContact CE2-CB 4.22Å |
| 358 | L | 73.1 | Confident | 62.9 | Low | 51 Ų | 51 | 104.4 Ų | 104.4 | 27% | 0.267 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 113 | 176.5 | -70.8 | 157.2 | 0 | 0 | 0 | 108.6 | Y344 F345 C373 | Y344-L358 WeakPolarHBondContact O-CA 3.23Å; F345-L358 HydrophobicContact CD1-CD2 3.22Å; F345-L358 HydrophobicContact CE1-CD2 3.2Å; F345-L358 HydrophobicContact CG-CD2 4.13Å; F345-L358 HydrophobicContact CZ-CD2 4.09Å; L358-C373 HydrophobicContact CD1-CB 3.93Å |
| 359 | T | 75.4 | Confident | 61.4 | Low | 22 Ų | 22 | 109 Ų | 109 | 14% | 0.135 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 123.8 | 177.6 | -47.4 | 0 | 0 | 0 | 0 | 110.6 | Y344 Y361 | Y344-T359 PolarHBondContact N-O 3.02Å; Y344-T359 VanDerWaalsContact N-O 3.07Å; Y344-T359 PolarHBondContact O-N 2.87Å; T359-Y361 HydrophobicContact CG2-CD2 3.76Å; T359-Y361 HydrophobicContact CG2-CE2 3.39Å |
| 360 | N | 62.8 | Low | 59.6 | Low | 54 Ų | 54 | 112.5 Ų | 112.5 | 29% | 0.289 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 116.2 | 168.9 | -174.2 | -17.9 | 0 | 0 | 0 | 108.1 | F343 P362 | F343-N360 HydrophobicContact CD1-CB 4.35Å; F343-N360 HydrophobicContact CE1-CB 4.34Å; F343-N360 WeakPolarHBondContact CE1-ND2 3.27Å; N360-P362 WeakPolarHBondContact O-CD 3.15Å |
| 361 | Y | 54.6 | Low | 58.2 | Low | 162 Ų | 162 | 115.9 Ų | 115.9 | 64% | 0.635 | 55% | 0.552 | S | S | * | * | trans | -94.7 | 101.4 | 170 | -77.6 | -80.3 | 0 | 0 | 0 | 109.1 | Y344 T359 | Y344-Y361 HydrophobicContact CD2-CD2 4.44Å; Y344-Y361 HydrophobicContact CE2-CD2 4.29Å; T359-Y361 HydrophobicContact CG2-CD2 3.76Å; T359-Y361 HydrophobicContact CG2-CE2 3.39Å | ||
| 362 | P | 54.3 | Low | 56.9 | Low | 37 Ų | 37 | 115.8 Ų | 115.8 | 24% | 0.24 | 55% | 0.554 | C | S | . | * | trans | -64 | 142.7 | 164.4 | 25.8 | -30.9 | 0 | 0 | 0 | 109.5 | N360 S364 | N360-P362 WeakPolarHBondContact O-CD 3.15Å; P362-S364 WeakPolarHBondContact CG-O 3.09Å; P362-S364 PolarHBondContact O-N 2.73Å; P362-S364 VanDerWaalsContact O-N 3.12Å | ||
| 363 | K | 49.3 | Very low | 55.6 | Low | 182 Ų | 182 | 110.2 Ų | 110.2 | 79% | 0.791 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -63 | -12 | 173.3 | -75.3 | -178.7 | 178.2 | 172.4 | 0 | 113 | ||
| 364 | S | 49.3 | Very low | 53.9 | Low | 77 Ų | 77 | 113.9 Ų | 113.9 | 54% | 0.538 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -108.4 | 131.2 | 172.4 | 55 | 0 | 0 | 0 | 0 | 109.9 | P362 E366 | P362-S364 WeakPolarHBondContact CG-O 3.09Å; P362-S364 PolarHBondContact O-N 2.73Å; P362-S364 VanDerWaalsContact O-N 3.12Å; S364-E366 PolarHBondContact O-N 3.4Å |
| 365 | R | 44.7 | Very low | 51.8 | Low | 260 Ų | 260 | 116.9 Ų | 116.9 | 98% | 0.981 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -64.6 | 21.9 | -174.6 | -87.6 | -175.3 | 170.6 | 158.1 | -2.4 | 116.4 | ||
| 366 | E | 43.4 | Very low | 49.9 | Very low | 148 Ų | 148 | 119.4 Ų | 119.4 | 69% | 0.692 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -125.7 | 120.1 | -176.9 | -66.4 | 177.4 | -176.7 | 0 | 0 | 108.7 | S364 | S364-E366 PolarHBondContact O-N 3.4Š|
| 367 | N | 40.9 | Very low | 47.5 | Very low | 126 Ų | 126 | 124.6 Ų | 124.6 | 67% | 0.674 | 61% | 0.608 | S | S | * | * | trans | 94.3 | 76.2 | 176.1 | -45.9 | -47.7 | 0 | 0 | 0 | 116.5 | N369 | N367-N369 PolarHBondContact O-N 2.94Š| ||
| 368 | I | 42.8 | Very low | 45.4 | Very low | 139 Ų | 139 | 127.9 Ų | 127.9 | 71% | 0.713 | 62% | 0.624 | S | S | * | * | trans | -81.9 | 101.8 | 157.9 | -57.8 | 172 | 0 | 0 | 0 | 107.3 | ||||
| 369 | N | 43.3 | Very low | 43.3 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 59% | 0.594 | 65% | 0.651 | S | S | * | * | trans | -92.3 | 106.5 | 170.1 | -73.8 | -36.6 | 0 | 0 | 0 | 109.3 | N367 F371 | N367-N369 PolarHBondContact O-N 2.94Å; N369-F371 HydrophobicContact CB-CD2 3.99Å; N369-F371 HydrophobicContact CB-CE2 3.53Å; N369-F371 HydrophobicContact CB-CZ 4.21Å; N369-F371 PolarHBondContact O-N 2.97Å; N369-F371 VanDerWaalsContact O-N 3.15Å | ||
| 370 | L | 38.4 | Very low | 41.3 | Very low | 133 Ų | 133 | 141.9 Ų | 141.9 | 70% | 0.696 | 68% | 0.684 | S | S | * | * | trans | -80 | 87.9 | 175.2 | -150.6 | 83.7 | 0 | 0 | 0 | 108.9 | H372 | L370-H372 PolarHBondContact O-N 2.87Š| ||
| 371 | F | 43.2 | Very low | 39.8 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 65% | 0.654 | 71% | 0.708 | S | S | * | * | trans | -77.6 | 110.5 | 172.7 | -71.6 | -80.7 | 0 | 0 | 0 | 109.6 | N369 C373 | N369-F371 HydrophobicContact CB-CD2 3.99Å; N369-F371 HydrophobicContact CB-CE2 3.53Å; N369-F371 HydrophobicContact CB-CZ 4.21Å; N369-F371 PolarHBondContact O-N 2.97Å; N369-F371 VanDerWaalsContact O-N 3.15Å; F371-C373 PolarHBondContact O-N 3.24Å | ||
| 372 | H | 37.2 | Very low | 39.2 | Very low | 175 Ų | 175 | 145.7 Ų | 145.7 | 81% | 0.81 | 72% | 0.717 | S | S | * | * | trans | -73.1 | 106.2 | 163.3 | -112.5 | 45.6 | 0 | 0 | 0 | 108 | L370 C374 | L370-H372 PolarHBondContact O-N 2.87Å; H372-C374 PolarHBondContact O-N 3.26Å | ||
| 373 | C | 35 | Very low | 38.2 | Very low | 74 Ų | 74 | 153 Ų | 153 | 50% | 0.5 | 75% | 0.747 | S | S | . | * | trans | -74.4 | 110.6 | 175.7 | -169.6 | 0 | 0 | 0 | 0 | 109.5 | L358 F371 | L358-C373 HydrophobicContact CD1-CB 3.93Å; F371-C373 PolarHBondContact O-N 3.24Å | ||
| 374 | C | 33.2 | Very low | 37.5 | Very low | 112 Ų | 112 | 150.9 Ų | 150.9 | 76% | 0.757 | 74% | 0.744 | S | S | * | * | trans | -62.1 | 145.6 | 168.3 | -73.2 | 0 | 0 | 0 | 0 | 111.4 | H372 I376 | H372-C374 PolarHBondContact O-N 3.26Å; C374-I376 PolarHBondContact O-N 2.87Å | ||
| 375 | Q | 34.2 | Very low | 36.8 | Very low | 179 Ų | 179 | 153.9 Ų | 153.9 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | trans | -28.6 | 116.2 | 174.4 | -62.5 | -175.3 | -5.9 | 0 | 0 | 114.6 | K377 | Q375-K377 PolarHBondContact O-N 2.74Š| ||
| 376 | I | 33.7 | Very low | 36.7 | Very low | 140 Ų | 140 | 147.4 Ų | 147.4 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | trans | -71 | 101 | 166.3 | -60.6 | 178.7 | 0 | 0 | 0 | 107.3 | C374 H378 | C374-I376 PolarHBondContact O-N 2.87Å; I376-H378 PolarHBondContact O-N 3.33Å | ||
| 377 | K | 31.6 | Very low | 36.4 | Very low | 182 Ų | 182 | 149.9 Ų | 149.9 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | -70.5 | 120.6 | 158.4 | -74.6 | -179.2 | 178.6 | 175.3 | 0 | 107.1 | Q375 K379 | Q375-K377 PolarHBondContact O-N 2.74Å; K377-K379 PolarHBondContact O-N 2.9Å; K377-K379 VanDerWaalsContact O-N 3.1Å | ||
| 378 | H | 32.6 | Very low | 36.3 | Very low | 172 Ų | 172 | 150.2 Ų | 150.2 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | trans | -50.3 | 117.3 | 166.2 | -86.3 | -106.5 | 0 | 0 | 0 | 109.5 | I376 | I376-H378 PolarHBondContact O-N 3.33Š| ||
| 379 | K | 29.9 | Very low | 36.1 | Very low | 193 Ų | 193 | 150.1 Ų | 150.1 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | trans | -120 | 91.5 | 156 | -169.6 | 176.8 | -179.3 | -175 | 0 | 105.8 | K377 Q381 | K377-K379 PolarHBondContact O-N 2.9Å; K377-K379 VanDerWaalsContact O-N 3.1Å; K379-Q381 PolarHBondContact O-N 2.85Å | ||
| 380 | E | 34 | Very low | 35.9 | Very low | 174 Ų | 174 | 153.9 Ų | 153.9 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -60.3 | 131.5 | 164.6 | -71.6 | -176 | 139.8 | 0 | 0 | 109 | ||||
| 381 | Q | 29.6 | Very low | 35.6 | Very low | 173 Ų | 173 | 160.4 Ų | 160.4 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | trans | -134.6 | 131.1 | 145.6 | -115.2 | -166.4 | 0.3 | 0 | 0 | 107.1 | K379 | K379-Q381 PolarHBondContact O-N 2.85Š| ||
| 382 | P | 42.1 | Very low | 35.3 | Very low | 124 Ų | 124 | 161 Ų | 161 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | trans | -77.6 | 144.6 | -175.9 | 31.5 | -32 | 0 | 0 | 0 | 110.8 | ||||
| 383 | H | 34.8 | Very low | 35.1 | Very low | 189 Ų | 189 | 160.3 Ų | 160.3 | 88% | 0.875 | 82% | 0.819 | S | S | * | * | trans | -61.1 | 143.4 | 174.1 | -75.4 | -81.7 | 0 | 0 | 0 | 112.2 | ||||
| 384 | D | 32.9 | Very low | 35.2 | Very low | 139 Ų | 139 | 165.1 Ų | 165.1 | 74% | 0.743 | 84% | 0.837 | S | S | * | * | trans | -147.9 | 106.3 | 143.2 | -153 | -1.4 | 0 | 0 | 0 | 110.2 | ||||
| 385 | T | 36.2 | Very low | 35.3 | Very low | 139 Ų | 139 | 168.2 Ų | 168.2 | 85% | 0.853 | 84% | 0.842 | S | S | * | * | trans | -168.5 | 82.9 | 147.3 | 34 | 0 | 0 | 0 | 0 | 109.1 | K387 | T385-K387 PolarHBondContact O-N 3.3Š| ||
| 386 | T | 42.1 | Very low | 35.3 | Very low | 125 Ų | 125 | 167.5 Ų | 167.5 | 77% | 0.767 | 84% | 0.842 | S | S | * | * | trans | -72.6 | 112.9 | 148.4 | 44.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 387 | K | 36.9 | Very low | 35.5 | Very low | 199 Ų | 199 | 169.3 Ų | 169.3 | 87% | 0.865 | 85% | 0.85 | S | S | * | * | trans | -148.1 | 99.8 | 144.9 | -75.3 | -158.8 | 179.3 | 178.8 | 0 | 110.2 | T385 | T385-K387 PolarHBondContact O-N 3.3Š| ||
| 388 | T | 39.6 | Very low | 35.7 | Very low | 133 Ų | 133 | 168.4 Ų | 168.4 | 82% | 0.816 | 86% | 0.855 | S | S | * | * | trans | -43.9 | 136.1 | 138.6 | 38.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 389 | V | 37.9 | Very low | 36 | Very low | 137 Ų | 137 | 168.2 Ų | 168.2 | 83% | 0.83 | 86% | 0.859 | S | S | * | * | -177.3 | 125.9 | 119.3 | 164.2 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 390 | E | 38 | Very low | 36.5 | Very low | 190 Ų | 190 | 166.1 Ų | 166.1 | 89% | 0.888 | 86% | 0.861 | S | S | * | * | trans | -69.1 | 155.2 | 167.1 | -66.7 | 176.2 | 134.5 | 0 | 0 | 111.2 | ||||
| 391 | E | 33.6 | Very low | 36.7 | Very low | 271 Ų | 271 | 165.4 Ų | 165.4 | 100% | 1.266 | 87% | 0.865 | S | S | * | * | trans | 77.3 | 0 | 169.8 | -147.5 | 174.6 | 162 | 0 | 0 | 118.6 |
Retrieved 391 of 391 residues in 267.4 ms
(Link to these results)