| 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 | 32.6 | Very low | 35 | Very low | 230 Ų | 230 | 168.5 Ų | 168.5 | 100% | 1.133 | 82% | 0.821 | S | S | * | * | 0 | 98.9 | 0 | -69.3 | -152.1 | -120.3 | 0 | 0 | 106.7 | |||||
| 2 | Y | 29.1 | Very low | 34.7 | Very low | 223 Ų | 223 | 160.3 Ų | 160.3 | 88% | 0.875 | 81% | 0.814 | S | S | * | * | 109.2 | 112.1 | 94 | -102.5 | -77.3 | 0 | 0 | 0 | 109.9 | |||||
| 3 | H | 28.2 | Very low | 34.7 | Very low | 159 Ų | 159 | 156.3 Ų | 156.3 | 74% | 0.736 | 82% | 0.82 | S | S | * | * | trans | -48.7 | 159.6 | 157.6 | -130.2 | -73.3 | 0 | 0 | 0 | 111.7 | ||||
| 4 | P | 41.7 | Very low | 34.5 | Very low | 117 Ų | 117 | 149.2 Ų | 149.2 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -108.6 | 120.1 | 134.6 | -5.4 | 24.8 | 0 | 0 | 0 | 110.3 | ||||
| 5 | R | 37.1 | Very low | 34.3 | Very low | 208 Ų | 208 | 155.1 Ų | 155.1 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | -66.8 | 167.4 | 144 | -68.2 | -179.9 | 150 | -176.2 | -4.8 | 107 | ||||
| 6 | E | 35.5 | Very low | 34.2 | Very low | 161 Ų | 161 | 161.1 Ų | 161.1 | 75% | 0.752 | 82% | 0.82 | S | S | * | * | -164.8 | 144.3 | 51.5 | -70 | 176.3 | 167.5 | 0 | 0 | 105.5 | |||||
| 7 | L | 32.2 | Very low | 34.4 | Very low | 167 Ų | 167 | 162.2 Ų | 162.2 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | -160.7 | 128.7 | 78.4 | -78.7 | 158.2 | 0 | 0 | 0 | 109.9 | |||||
| 8 | Y | 32.6 | Very low | 34.4 | Very low | 198 Ų | 198 | 156.8 Ų | 156.8 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | -109.6 | 164.7 | 167 | -110.4 | -74.2 | 0 | 0 | 0 | 107.3 | ||||
| 9 | P | 45.3 | Very low | 34.9 | Very low | 120 Ų | 120 | 155.9 Ų | 155.9 | 78% | 0.779 | 82% | 0.824 | S | S | * | * | -136.8 | 151.2 | 58.2 | 28.3 | -6 | 0 | 0 | 0 | 113.4 | |||||
| 10 | S | 35.8 | Very low | 35 | Very low | 84 Ų | 84 | 152.8 Ų | 152.8 | 59% | 0.587 | 82% | 0.82 | S | S | * | * | cis | 63.4 | 99.8 | 41.4 | 72.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 11 | L | 35.2 | Very low | 35 | Very low | 186 Ų | 186 | 153.9 Ų | 153.9 | 97% | 0.974 | 82% | 0.82 | S | S | * | * | trans | -154.8 | 126.3 | 143.3 | -83.5 | 167.6 | 0 | 0 | 0 | 105.3 | ||||
| 12 | G | 31.4 | Very low | 35.6 | Very low | 71 Ų | 71 | 148 Ų | 148 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | cis | 133.8 | 108 | 6.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 13 | A | 34.2 | Very low | 35.7 | Very low | 108 Ų | 108 | 141.2 Ų | 141.2 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | trans | 54.4 | 147.1 | 157.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 14 | G | 31.6 | Very low | 35.9 | Very low | 57 Ų | 57 | 138.5 Ų | 138.5 | 59% | 0.588 | 80% | 0.803 | S | S | * | * | cis | 136.7 | 124.8 | 13.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 15 | Y | 31.6 | Very low | 35.3 | Very low | 237 Ų | 237 | 140.3 Ų | 140.3 | 93% | 0.929 | 81% | 0.806 | S | S | * | * | trans | -140.6 | 130.3 | 169.3 | -64.9 | -73.1 | 0 | 0 | 0 | 112.9 | ||||
| 16 | R | 33.2 | Very low | 35 | Very low | 251 Ų | 251 | 135.4 Ų | 135.4 | 95% | 0.947 | 80% | 0.804 | S | S | * | * | trans | -78.6 | 153.4 | 177.4 | -80.9 | 178.4 | 170.2 | 173.5 | -3.3 | 111.8 | ||||
| 17 | L | 38.3 | Very low | 34.8 | Very low | 181 Ų | 181 | 133 Ų | 133 | 95% | 0.948 | 80% | 0.804 | S | S | * | * | trans | -67.4 | 139.9 | 161.7 | -76.5 | 154 | 0 | 0 | 0 | 111.6 | ||||
| 18 | G | 33.2 | Very low | 34.8 | Very low | 65 Ų | 65 | 134.5 Ų | 134.5 | 67% | 0.67 | 80% | 0.804 | S | S | * | * | trans | -128.1 | 159.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 19 | P | 44.7 | Very low | 35.1 | Very low | 140 Ų | 140 | 130.7 Ų | 130.7 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | -94.7 | 174.8 | -160.2 | 37.9 | -34.7 | 0 | 0 | 0 | 115.3 | ||||
| 20 | A | 36.7 | Very low | 35.1 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | -87.7 | 159.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 21 | Q | 34.3 | Very low | 34.9 | Very low | 176 Ų | 176 | 130.4 Ų | 130.4 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | 152.8 | 167.1 | 146.2 | -80.4 | -86.1 | -36.1 | 0 | 0 | 110.3 | ||||
| 22 | P | 44.7 | Very low | 34.7 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | -135.4 | 168.1 | -61.7 | 37 | -18.9 | 0 | 0 | 0 | 114.8 | |||||
| 23 | G | 31.2 | Very low | 34.6 | Very low | 79 Ų | 79 | 130.3 Ų | 130.3 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | trans | 86.3 | 113.4 | 144.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 24 | A | 33.7 | Very low | 34.4 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | -178.5 | 135.2 | 128.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 25 | D | 29.5 | Very low | 34.3 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | -75.8 | 170.5 | -167.8 | -70.6 | -54.3 | 0 | 0 | 0 | 116.2 | ||||
| 26 | S | 30.4 | Very low | 34 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | trans | 96 | 107.6 | 134.1 | 71.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 27 | S | 30.1 | Very low | 33.8 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | 61.7 | 116 | 129.4 | 55 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 28 | F | 32.3 | Very low | 33.2 | Very low | 199 Ų | 199 | 135.5 Ų | 135.5 | 87% | 0.873 | 80% | 0.8 | S | S | * | * | trans | -23.2 | 156.4 | 142.9 | -79.6 | -85.1 | 0 | 0 | 0 | 115.6 | ||||
| 29 | P | 40.8 | Very low | 33.6 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | -154.2 | -146.3 | 55.7 | 38.5 | -11.2 | 0 | 0 | 0 | 114.6 | |||||
| 30 | P | 44.5 | Very low | 33 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | -127.2 | 172.5 | -95.2 | 41.1 | -22.9 | 0 | 0 | 0 | 115.8 | |||||
| 31 | A | 31.1 | Very low | 32.9 | Very low | 88 Ų | 88 | 140.3 Ų | 140.3 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 60.4 | 136.3 | 142.1 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 32 | L | 31.3 | Very low | 32.7 | Very low | 171 Ų | 171 | 138.3 Ų | 138.3 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | trans | 103.9 | 120.1 | 143.6 | -74.3 | 162.4 | 0 | 0 | 0 | 121.1 | ||||
| 33 | A | 29.1 | Very low | 31.9 | Very low | 83 Ų | 83 | 139.3 Ų | 139.3 | 69% | 0.686 | 79% | 0.79 | S | S | * | * | trans | 83.4 | 107.3 | 130.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 34 | E | 30.3 | Very low | 32 | Very low | 193 Ų | 193 | 141.7 Ų | 141.7 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | 51.1 | 123 | 131.8 | -63.7 | -170 | 157.8 | 0 | 0 | 121.1 | ||||
| 35 | G | 28.5 | Very low | 31.8 | Very low | 75 Ų | 75 | 145.8 Ų | 145.8 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | -177.7 | 87.3 | 167 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 36 | Y | 26.3 | Very low | 31.8 | Very low | 222 Ų | 222 | 146.3 Ų | 146.3 | 87% | 0.871 | 79% | 0.792 | S | S | * | * | trans | -24.8 | 134 | 168.5 | -72.6 | -98.1 | 0 | 0 | 0 | 119.6 | ||||
| 37 | R | 28.3 | Very low | 31.6 | Very low | 249 Ų | 249 | 148.3 Ų | 148.3 | 94% | 0.94 | 79% | 0.794 | S | S | * | * | -174.2 | 123.5 | 125 | -111.2 | -178 | -175.7 | 155.2 | 1.8 | 113.3 | |||||
| 38 | Y | 26.1 | Very low | 31.5 | Very low | 204 Ų | 204 | 148.2 Ų | 148.2 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | trans | -80.6 | 175.2 | 161.3 | -108.7 | -107.6 | 0 | 0 | 0 | 110.5 | E40 | Y38-E40 HydrophobicContact CD1-CB 4.36Š| ||
| 39 | P | 42.1 | Very low | 31.3 | Very low | 107 Ų | 107 | 148.4 Ų | 148.4 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | cis | -132.1 | 151.9 | 17.9 | 23 | 3.7 | 0 | 0 | 0 | 116.6 | ||||
| 40 | E | 31.4 | Very low | 30.7 | Very low | 154 Ų | 154 | 151 Ų | 151 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | 80 | 117.1 | 85.2 | -143.7 | 178.4 | -154.3 | 0 | 0 | 114 | Y38 | Y38-E40 HydrophobicContact CD1-CB 4.36Š| |||
| 41 | L | 35.8 | Very low | 30 | Very low | 137 Ų | 137 | 152.1 Ų | 152.1 | 72% | 0.717 | 81% | 0.81 | S | S | * | * | 176.3 | 153.3 | 94.7 | -79.5 | 150.1 | 0 | 0 | 0 | 106.3 | |||||
| 42 | D | 28.8 | Very low | 29.8 | Very low | 134 Ų | 134 | 151.3 Ų | 151.3 | 72% | 0.717 | 81% | 0.81 | S | S | * | * | cis | -166.8 | 147.4 | 11.8 | -123.1 | -29.1 | 0 | 0 | 0 | 109.4 | ||||
| 43 | T | 29.3 | Very low | 29.8 | Very low | 129 Ų | 129 | 151.8 Ų | 151.8 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -135.4 | 129.6 | 161.1 | 25.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 44 | P | 31.6 | Very low | 29.9 | Very low | 130 Ų | 130 | 156.9 Ų | 156.9 | 84% | 0.844 | 82% | 0.82 | S | S | * | * | trans | -85.5 | 124.1 | 178.4 | 30.1 | -30.1 | 0 | 0 | 0 | 112.4 | ||||
| 45 | K | 30 | Very low | 29.9 | Very low | 188 Ų | 188 | 151.7 Ų | 151.7 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | trans | -77.1 | 168.1 | 149.9 | -75.4 | 177.5 | 174.8 | 175.7 | 0 | 109.8 | ||||
| 46 | L | 29 | Very low | 30 | Very low | 165 Ų | 165 | 152.9 Ų | 152.9 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | trans | -164.4 | 111.1 | 131.8 | -103.7 | 144.5 | 0 | 0 | 0 | 111.7 | ||||
| 47 | D | 26.1 | Very low | 31.1 | Very low | 149 Ų | 149 | 147.9 Ų | 147.9 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | -84.5 | 147.2 | 144.4 | -76.6 | -52.4 | 0 | 0 | 0 | 108.1 | ||||
| 48 | C | 28.5 | Very low | 31.2 | Very low | 107 Ų | 107 | 147.3 Ų | 147.3 | 72% | 0.723 | 81% | 0.805 | S | S | * | * | trans | -175.4 | 124 | 145.9 | -104.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 49 | F | 28.5 | Very low | 31.5 | Very low | 202 Ų | 202 | 143.7 Ų | 143.7 | 89% | 0.886 | 80% | 0.804 | S | S | * | * | 153.3 | 94.1 | 127.2 | -92.9 | -76.9 | 0 | 0 | 0 | 111.6 | |||||
| 50 | L | 28.1 | Very low | 31.4 | Very low | 173 Ų | 173 | 146.8 Ų | 146.8 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | trans | -151.2 | 116.6 | 150.5 | -80.7 | -175.6 | 0 | 0 | 0 | 109.9 | ||||
| 51 | S | 29.4 | Very low | 31.4 | Very low | 134 Ų | 134 | 144.1 Ų | 144.1 | 94% | 0.937 | 82% | 0.819 | S | S | * | * | trans | -177.3 | 136.2 | 136.3 | -88.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 52 | G | 27.3 | Very low | 31.4 | Very low | 71 Ų | 71 | 142.5 Ų | 142.5 | 73% | 0.732 | 83% | 0.825 | S | S | * | * | trans | 177.3 | 103.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 53 | M | 32.3 | Very low | 31.8 | Very low | 182 Ų | 182 | 145 Ų | 145 | 90% | 0.897 | 83% | 0.831 | S | S | * | * | trans | 93.1 | 91.7 | 144.7 | -53 | -179.2 | 73.5 | 0 | 0 | 121.1 | ||||
| 54 | E | 30.8 | Very low | 32.4 | Very low | 189 Ų | 189 | 144.3 Ų | 144.3 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | 63 | 129.2 | 105.5 | -159.1 | 157 | 165.2 | 0 | 0 | 124.7 | |||||
| 55 | A | 28.9 | Very low | 32.9 | Very low | 85 Ų | 85 | 144.1 Ų | 144.1 | 70% | 0.702 | 83% | 0.828 | S | S | * | * | trans | 84.2 | 108.6 | 142 | 0 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 56 | A | 30.7 | Very low | 33.3 | Very low | 100 Ų | 100 | 143.1 Ų | 143.1 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | 86.4 | 151.7 | 126.1 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 57 | P | 49.5 | Very low | 33.7 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | trans | -110.2 | 166 | -141.7 | 41 | -34.6 | 0 | 0 | 0 | 114.6 | ||||
| 58 | R | 31.1 | Very low | 34.4 | Very low | 237 Ų | 237 | 142.5 Ų | 142.5 | 89% | 0.894 | 83% | 0.834 | S | S | * | * | trans | -170.8 | 121.7 | 145.5 | -82.3 | -135.9 | 161.6 | 98.5 | -0 | 114.7 | ||||
| 59 | T | 31.7 | Very low | 34.9 | Very low | 129 Ų | 129 | 145.3 Ų | 145.3 | 79% | 0.791 | 84% | 0.841 | S | S | * | * | trans | 65.8 | 129.6 | 132.5 | -21.8 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 60 | L | 39.9 | Very low | 35.5 | Very low | 172 Ų | 172 | 141 Ų | 141 | 90% | 0.901 | 83% | 0.834 | S | S | * | * | trans | -56.8 | 140.2 | 170.3 | -81 | 140.4 | 0 | 0 | 0 | 115.4 | ||||
| 61 | A | 32.1 | Very low | 36.3 | Very low | 98 Ų | 98 | 138.8 Ų | 138.8 | 81% | 0.81 | 83% | 0.83 | S | S | * | * | trans | -146.7 | 141.1 | 152.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 62 | A | 36.3 | Very low | 36.9 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 156.1 | -170 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 63 | H | 36.7 | Very low | 37.3 | Very low | 186 Ų | 186 | 142.6 Ų | 142.6 | 86% | 0.861 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 144.6 | 179.6 | -64.9 | -81.2 | 0 | 0 | 0 | 113.6 | ||
| 64 | P | 41.1 | Very low | 37.7 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 75% | 0.747 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 162.7 | 168 | 33.8 | -31.1 | 0 | 0 | 0 | 112.7 | ||
| 65 | P | 43.6 | Very low | 37.8 | Very low | 127 Ų | 127 | 135 Ų | 135 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 152.1 | -163.6 | 33.6 | -34.1 | 0 | 0 | 0 | 113.9 | ||
| 66 | L | 38.5 | Very low | 38.3 | Very low | 166 Ų | 166 | 139.2 Ų | 139.2 | 87% | 0.869 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 145.4 | 179.1 | -67.7 | 170.5 | 0 | 0 | 0 | 112.6 | ||
| 67 | P | 37.1 | Very low | 38.8 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 81% | 0.805 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 149 | 172.9 | 33.1 | -30.8 | 0 | 0 | 0 | 112.9 | ||
| 68 | L | 40.1 | Very low | 38.2 | Very low | 178 Ų | 178 | 138 Ų | 138 | 93% | 0.932 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 142.6 | -176.9 | -69 | 159.6 | 0 | 0 | 0 | 113.2 | ||
| 69 | L | 39.4 | Very low | 38.9 | Very low | 166 Ų | 166 | 133 Ų | 133 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 146.2 | 174.2 | -81.7 | 151.8 | 0 | 0 | 0 | 112.5 | ||
| 70 | P | 41 | Very low | 39.7 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -86 | 159 | 169.1 | 34.2 | -30.2 | 0 | 0 | 0 | 112.4 | ||
| 71 | P | 45.6 | Very low | 40.1 | Very low | 126 Ų | 126 | 127.8 Ų | 127.8 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 158.5 | -164.1 | 34.8 | -34.5 | 0 | 0 | 0 | 114.3 | ||
| 72 | A | 41.3 | Very low | 41.1 | Very low | 100 Ų | 100 | 125.9 Ų | 125.9 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -68 | 137.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 73 | M | 35.4 | Very low | 41.7 | Very low | 185 Ų | 185 | 127.5 Ų | 127.5 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | trans | -129.6 | 116.5 | 161.9 | -85.5 | -78.3 | -79.2 | 0 | 0 | 108 | ||||
| 74 | G | 40.6 | Very low | 42.5 | Very low | 69 Ų | 69 | 120.7 Ų | 120.7 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | trans | -80.1 | 159.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 75 | T | 33 | Very low | 43 | Very low | 141 Ų | 141 | 119.7 Ų | 119.7 | 87% | 0.865 | 74% | 0.738 | S | S | * | * | trans | -169.3 | 113.7 | 135.4 | -64.1 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 76 | E | 40.3 | Very low | 43.7 | Very low | 175 Ų | 175 | 119 Ų | 119 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 124.3 | 173.3 | -120.2 | -84.8 | 133 | 0 | 0 | 108.4 | ||
| 77 | P | 39.8 | Very low | 44.7 | Very low | 109 Ų | 109 | 115.5 Ų | 115.5 | 71% | 0.708 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -89 | 128.4 | 169.4 | 32.3 | -26 | 0 | 0 | 0 | 110.6 | ||
| 78 | A | 36.8 | Very low | 46.3 | Very low | 82 Ų | 82 | 110.8 Ų | 110.8 | 68% | 0.678 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 153.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S80 | A78-S80 PolarHBondContact O-N 2.7Š|
| 79 | P | 47.4 | Very low | 48 | Very low | 131 Ų | 131 | 108 Ų | 108 | 85% | 0.851 | 67% | 0.674 | S | S | * | * | trans | -88.8 | 107.1 | -174.6 | 33.7 | -30.4 | 0 | 0 | 0 | 111.6 | ||||
| 80 | S | 48 | Very low | 50.1 | Low | 116 Ų | 116 | 103.4 Ų | 103.4 | 81% | 0.811 | 67% | 0.667 | S | S | * | * | trans | -158.3 | 62.1 | 165.5 | 53.4 | 0 | 0 | 0 | 0 | 114.9 | A78 | A78-S80 PolarHBondContact O-N 2.7Š| ||
| 81 | A | 48.4 | Very low | 52.5 | Low | 75 Ų | 75 | 99.1 Ų | 99.1 | 62% | 0.62 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -159.7 | 150.8 | 157.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | E83 | A81-E83 PolarHBondContact O-N 3.02Å; A81-E83 VanDerWaalsContact O-N 3.16Å |
| 82 | P | 53.7 | Low | 54.8 | Low | 59 Ų | 59 | 96 Ų | 96 | 38% | 0.383 | 62% | 0.62 | S | S | . | * | trans | -63.5 | 113.8 | 165.4 | 26.7 | -30.9 | 0 | 0 | 0 | 108.6 | A84 R272 F273 | P82-A84 PolarHBondContact O-N 2.73Å; P82-R272 WeakPolarHBondContact CB-O 3.41Å; P82-F273 HydrophobicContact CB-CE1 4.43Å | ||
| 83 | E | 48.3 | Very low | 57.4 | Low | 135 Ų | 135 | 91.8 Ų | 91.8 | 63% | 0.631 | 58% | 0.583 | S | S | * | * | trans | -65.8 | 102.8 | 176.4 | -70.9 | -179 | 156.7 | 0 | 0 | 109.8 | A81 L85 | A81-E83 PolarHBondContact O-N 3.02Å; A81-E83 VanDerWaalsContact O-N 3.16Å; E83-L85 PolarHBondContact O-N 2.97Å | ||
| 84 | A | 52.9 | Low | 60.3 | Low | 43 Ų | 43 | 86 Ų | 86 | 36% | 0.355 | 56% | 0.561 | S | S | . | * | trans | -80.4 | 96.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | P82 H86 F271 | P82-A84 PolarHBondContact O-N 2.73Å; A84-H86 PolarHBondContact O-N 3.03Å; A84-F271 HydrophobicContact CB-CE1 4.47Å | ||
| 85 | L | 51.6 | Low | 63 | Low | 94 Ų | 94 | 83.5 Ų | 83.5 | 49% | 0.492 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -66 | -18.7 | -176.8 | -72.9 | 168.4 | 0 | 0 | 0 | 113.2 | E83 | E83-L85 PolarHBondContact O-N 2.97Š|
| 86 | H | 59.2 | Low | 66.1 | Low | 113 Ų | 113 | 79.3 Ų | 79.3 | 52% | 0.523 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -149.4 | 113.7 | 174.3 | -59.5 | -108.9 | 0 | 0 | 0 | 105 | A84 M268 A269 | A84-H86 PolarHBondContact O-N 3.03Å; H86-M268 VanDerWaalsContact CB-O 3.27Å; H86-M268 WeakPolarHBondContact CB-O 3.38Å; H86-A269 WeakPolarHBondContact O-CA 3.43Å; H86-A269 WeakPolarHBondContact O-CB 3.16Å |
| 87 | S | 58.4 | Low | 68.7 | Low | 92 Ų | 92 | 75.2 Ų | 75.2 | 64% | 0.643 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -101.8 | 129.9 | -173.6 | 58 | 0 | 0 | 0 | 0 | 111.3 | ||
| 88 | L | 71.7 | Confident | 71.4 | Confident | 25 Ų | 25 | 75.4 Ų | 75.4 | 13% | 0.131 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 117.6 | 156 | -73.9 | 168.6 | 0 | 0 | 0 | 105.9 | G90 V91 Y169 L254 A269 | L88-G90 PolarHBondContact O-N 3.14Å; L88-V91 HydrophobicContact CB-CB 4.03Å; L88-V91 HydrophobicContact CB-CG2 3.57Å; L88-V91 HydrophobicContact CD1-CG2 4.38Å; L88-V91 PolarHBondContact O-N 3.41Å; L88-V91 VanDerWaalsContact O-N 3.14Å; L88-Y169 HydrophobicContact CD1-CE1 4.42Å; L88-L254 HydrophobicContact CD1-CD2 3.81Å; L88-L254 HydrophobicContact CD1-CG 4.21Å; L88-A269 HydrophobicContact CB-CB 4.42Å; L88-A269 HydrophobicContact CD1-CB 4.18Å; L88-A269 HydrophobicContact CG-CB 4.13Å |
| 89 | P | 75.3 | Confident | 74.3 | Confident | 121 Ų | 121 | 77.8 Ų | 77.8 | 79% | 0.786 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 131.1 | -175 | 21.7 | -30.9 | 0 | 0 | 0 | 110.4 | V91 | P89-V91 VanDerWaalsContact C-N 3.33Å; P89-V91 PolarHBondContact O-N 2.74Å |
| 90 | G | 84.1 | Confident | 76.7 | Confident | 69 Ų | 69 | 73.5 Ų | 73.5 | 71% | 0.711 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.8 | -7.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | L88 G162 | L88-G90 PolarHBondContact O-N 3.14Å; G90-G162 WeakPolarHBondContact O-CA 3.46Å |
| 91 | V | 91.3 | Very high | 79 | Confident | 22 Ų | 22 | 68 Ų | 68 | 13% | 0.133 | 40% | 0.4 | C | S | . | . | trans | -88.3 | 129.7 | 178 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | L88 P89 L93 V160 T161 G162 L163 L254 F271 | L88-V91 HydrophobicContact CB-CB 4.03Å; L88-V91 HydrophobicContact CB-CG2 3.57Å; L88-V91 HydrophobicContact CD1-CG2 4.38Å; L88-V91 PolarHBondContact O-N 3.41Å; L88-V91 VanDerWaalsContact O-N 3.14Å; P89-V91 VanDerWaalsContact C-N 3.33Å; P89-V91 PolarHBondContact O-N 2.74Å; V91-L93 HydrophobicContact CG1-CD1 4.11Å; V91-V160 HydrophobicContact CG1-CG2 4.17Å; V91-T161 WeakPolarHBondContact CA-O 3.42Å; V91-G162 WeakPolarHBondContact CG2-O 3.26Å; V91-L163 HydrophobicContact CG1-CD2 3.77Å; V91-L163 HydrophobicContact CG2-CD2 3.89Å; V91-L254 HydrophobicContact CG1-CD2 3.64Å; V91-F271 HydrophobicContact CG1-CZ 4.39Å | ||
| 92 | S | 93.1 | Very high | 81.4 | Confident | 61 Ų | 61 | 69.2 Ų | 69.2 | 43% | 0.427 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 139.5 | 173.5 | 55.4 | 0 | 0 | 0 | 0 | 112.2 | V160 T161 | S92-V160 WeakPolarHBondContact O-CA 3.5Å; S92-T161 PolarHBondContact N-O 2.87Å; S92-T161 PolarHBondContact O-N 3.37Å; S92-T161 PolarHBondContact OG-OG1 2.93Å |
| 93 | L | 95.5 | Very high | 83.5 | Confident | 11 Ų | 11 | 70.9 Ų | 70.9 | 6% | 0.058 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 136.9 | 171.4 | -88.6 | 68.7 | 0 | 0 | 0 | 110 | V91 V158 S159 V160 F171 I252 F271 F273 | V91-L93 HydrophobicContact CG1-CD1 4.11Å; L93-V158 HydrophobicContact CD2-CB 4.47Å; L93-V158 HydrophobicContact CD2-CG2 4.13Å; L93-S159 CarbonylContact C-O 3.6Å; L93-S159 WeakPolarHBondContact CA-O 3.16Å; L93-V160 HydrophobicContact CD1-CB 4.09Å; L93-V160 HydrophobicContact CD1-CG2 3.66Å; L93-V160 HydrophobicContact CG-CB 4.27Å; L93-V160 HydrophobicContact CG-CG2 4.38Å; L93-F171 HydrophobicContact CD2-CE1 4Å; L93-I252 HydrophobicContact CD2-CB 4.48Å; L93-I252 HydrophobicContact CD2-CG2 3.83Å; L93-F271 HydrophobicContact CB-CD1 3.97Å; L93-F271 HydrophobicContact CB-CD2 4.46Å; L93-F271 HydrophobicContact CB-CE1 4.28Å; L93-F271 HydrophobicContact CB-CG 4.07Å; L93-F271 HydrophobicContact CD1-CD1 4.4Å; L93-F271 HydrophobicContact CD1-CD2 3.93Å; L93-F271 HydrophobicContact CD1-CE1 4.07Å; L93-F271 HydrophobicContact CD1-CE2 3.56Å; L93-F271 HydrophobicContact CD1-CG 4.34Å; L93-F271 HydrophobicContact CD1-CZ 3.64Å; L93-F271 HydrophobicContact CD2-CB 4.21Å; L93-F271 HydrophobicContact CD2-CD2 3.62Å; L93-F271 HydrophobicContact CD2-CE2 4.12Å; L93-F271 HydrophobicContact CD2-CG 3.87Å; L93-F271 HydrophobicContact CG-CD2 4.22Å; L93-F271 HydrophobicContact CG-CE2 4.34Å; L93-F271 HydrophobicContact CG-CG 4.32Å; L93-F273 HydrophobicContact CB-CZ 4.22Å |
| 94 | S | 96.9 | Very high | 85.8 | Confident | 63 Ų | 63 | 64.5 Ų | 64.5 | 44% | 0.441 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 138.6 | 174.8 | 55.9 | 0 | 0 | 0 | 0 | 110.3 | V158 S159 | S94-V158 CarbonylContact O-C 3.49Å; S94-V158 WeakPolarHBondContact O-CA 3.26Å; S94-V158 WeakPolarHBondContact O-CB 3.41Å; S94-S159 PolarHBondContact N-O 3.26Å; S94-S159 PolarHBondContact O-N 3.49Å; S94-S159 WeakPolarHBondContact OG-CB 3.42Å; S94-S159 PolarHBondContact OG-O 3.5Å |
| 95 | L | 97.8 | Very high | 88 | Confident | 16 Ų | 16 | 64.7 Ų | 64.7 | 8% | 0.084 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 125.3 | 178.6 | -177.2 | 70.4 | 0 | 0 | 0 | 110.2 | R98 W101 V158 F273 E275 T276 | L95-R98 HydrophobicContact CD2-CG 4.42Å; L95-W101 HydrophobicContact CD2-CB 4.16Å; L95-W101 HydrophobicContact CD2-CG 3.95Å; L95-V158 HydrophobicContact CD1-CG1 4.34Å; L95-F273 HydrophobicContact CB-CD1 3.71Å; L95-F273 HydrophobicContact CB-CD2 4.34Å; L95-F273 HydrophobicContact CB-CE1 3.78Å; L95-F273 HydrophobicContact CB-CE2 4.4Å; L95-F273 HydrophobicContact CB-CG 3.99Å; L95-F273 HydrophobicContact CB-CZ 4.13Å; L95-F273 HydrophobicContact CD1-CD2 4.18Å; L95-F273 HydrophobicContact CD1-CG 4.37Å; L95-F273 HydrophobicContact CD2-CB 4.06Å; L95-F273 HydrophobicContact CD2-CD1 4.46Å; L95-F273 HydrophobicContact CD2-CG 4.2Å; L95-F273 HydrophobicContact CG-CG 4.43Å; L95-E275 HydrophobicContact CD2-CG 3.79Å; L95-T276 HydrophobicContact CD1-CG2 4.04Å; L95-T276 HydrophobicContact CD2-CG2 3.64Å |
| 96 | E | 97.8 | Very high | 90.1 | Very high | 53 Ų | 53 | 64.9 Ų | 64.9 | 25% | 0.248 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 149.1 | 173.7 | -67 | -63.7 | 139.8 | 0 | 0 | 111.7 | R98 R157 S159 P221 | E96-R98 PolarHBondContact O-N 3.15Å; E96-R157 HydrophobicContact CB-CB 3.7Å; E96-R157 WeakPolarHBondContact CB-O 3.25Å; E96-R157 HydrophobicContact CG-CB 4.08Å; E96-R157 PolarHBondContact N-O 3.36Å; E96-S159 WeakPolarHBondContact OE1-CB 3.37Å; E96-S159 PolarHBondContact OE1-OG 3.24Å; E96-P221 HydrophobicContact CG-CB 3.68Å; E96-P221 HydrophobicContact CG-CG 4.07Å |
| 97 | N | 95.1 | Very high | 91.8 | Very high | 90 Ų | 90 | 61.1 Ų | 61.1 | 48% | 0.481 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 42.2 | -176.7 | -60.4 | -26.4 | 0 | 0 | 0 | 112.2 | E99 L100 W101 | N97-E99 PolarHBondContact O-N 3.37Å; N97-L100 HydrophobicContact CB-CB 4.35Å; N97-L100 WeakPolarHBondContact O-CB 3.39Å; N97-L100 PolarHBondContact O-N 2.94Å; N97-L100 VanDerWaalsContact O-N 3.16Å; N97-W101 PolarHBondContact O-N 3.23Å |
| 98 | R | 96.8 | Very high | 93.6 | Very high | 113 Ų | 113 | 57.9 Ų | 57.9 | 43% | 0.426 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.1 | -34.7 | -175.5 | -172.2 | 177.9 | -174.9 | -175.7 | 4.5 | 112.3 | L95 E96 W101 K102 E275 | L95-R98 HydrophobicContact CD2-CG 4.42Å; E96-R98 PolarHBondContact O-N 3.15Å; R98-W101 WeakPolarHBondContact O-CB 3.46Å; R98-W101 PolarHBondContact O-N 3.42Å; R98-K102 WeakPolarHBondContact O-CG 3.49Å; R98-K102 PolarHBondContact O-N 3.43Å; R98-E275 WeakPolarHBondContact CG-OE1 3.06Å; R98-E275 IonicContact CZ-OE1 3.23Å; R98-E275 IonicContact NE-OE1 3.38Å; R98-E275 PolarHBondContact NE-OE1 3.25Å; R98-E275 IonicContact NH2-OE1 2.74Å; R98-E275 PolarHBondContact NH2-OE1 2.96Å |
| 99 | E | 97.4 | Very high | 94.9 | Very high | 132 Ų | 132 | 56.9 Ų | 56.9 | 62% | 0.617 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -64.7 | -42.6 | -179.5 | -67.2 | 60.2 | -131.4 | 0 | 0 | 110.6 | N97 W101 K102 E103 | N97-E99 PolarHBondContact O-N 3.37Å; E99-W101 VanDerWaalsContact C-N 3.34Å; E99-W101 PolarHBondContact O-N 3.23Å; E99-K102 WeakPolarHBondContact O-CB 3.39Å; E99-K102 PolarHBondContact O-N 2.87Å; E99-E103 PolarHBondContact O-N 3.29Å |
| 100 | L | 96.6 | Very high | 95.9 | Very high | 41 Ų | 41 | 51.1 Ų | 51.1 | 22% | 0.215 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 174.4 | -175.5 | 64.8 | 0 | 0 | 0 | 110.6 | N97 K102 E103 F104 F153 P154 A296 | N97-L100 HydrophobicContact CB-CB 4.35Å; N97-L100 WeakPolarHBondContact O-CB 3.39Å; N97-L100 PolarHBondContact O-N 2.94Å; N97-L100 VanDerWaalsContact O-N 3.16Å; L100-K102 VanDerWaalsContact C-N 3.33Å; L100-K102 PolarHBondContact O-N 3.46Å; L100-E103 WeakPolarHBondContact O-CB 3.23Å; L100-E103 PolarHBondContact O-N 2.81Å; L100-F104 HydrophobicContact CD1-CD2 4.13Å; L100-F104 HydrophobicContact CD1-CE2 3.74Å; L100-F104 HydrophobicContact CD2-CE2 4.48Å; L100-F104 HydrophobicContact CG-CD2 4.06Å; L100-F104 HydrophobicContact CG-CE2 3.92Å; L100-F104 VanDerWaalsContact O-CD2 3.27Å; L100-F104 WeakPolarHBondContact O-CD2 3.48Å; L100-F104 PolarHBondContact O-N 3.4Å; L100-F153 HydrophobicContact CD2-CZ 4.4Å; L100-P154 HydrophobicContact CD2-CB 4.04Å; L100-P154 HydrophobicContact CD2-CG 3.81Å; L100-P154 HydrophobicContact CG-CG 3.86Å; L100-A296 HydrophobicContact CD1-CB 3.87Å; L100-A296 HydrophobicContact CD2-CB 4.49Å |
| 101 | W | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 174.3 | -83 | 107.3 | 0 | 0 | 0 | 112.4 | L95 N97 R98 E99 E103 F104 S105 T109 M111 P154 E275 T276 | L95-W101 HydrophobicContact CD2-CB 4.16Å; L95-W101 HydrophobicContact CD2-CG 3.95Å; N97-W101 PolarHBondContact O-N 3.23Å; R98-W101 WeakPolarHBondContact O-CB 3.46Å; R98-W101 PolarHBondContact O-N 3.42Å; E99-W101 VanDerWaalsContact C-N 3.34Å; E99-W101 PolarHBondContact O-N 3.23Å; W101-E103 VanDerWaalsContact C-N 3.34Å; W101-E103 PolarHBondContact O-N 3.3Å; W101-F104 PolarHBondContact O-N 3.43Å; W101-S105 VanDerWaalsContact O-CB 3.23Å; W101-S105 WeakPolarHBondContact O-CB 3.38Å; W101-S105 PolarHBondContact O-N 3.12Å; W101-T109 HydrophobicContact CZ3-CG2 4.32Å; W101-M111 HydrophobicContact CH2-CE 3.6Å; W101-M111 HydrophobicContact CZ3-CE 3.79Å; W101-P154 HydrophobicContact CD2-CB 4.16Å; W101-P154 HydrophobicContact CD2-CG 4.2Å; W101-P154 HydrophobicContact CE3-CG 4.47Å; W101-P154 WeakPolarHBondContact CH2-O 3.42Å; W101-P154 HydrophobicContact CZ2-CB 3.93Å; W101-P154 WeakPolarHBondContact CZ2-O 3.47Å; W101-E275 HydrophobicContact CB-CB 4.48Å; W101-E275 HydrophobicContact CB-CG 4.04Å; W101-T276 HydrophobicContact CD2-CG2 3.84Å; W101-T276 HydrophobicContact CE3-CG2 3.97Å; W101-T276 HydrophobicContact CG-CG2 4.3Å; W101-T276 HydrophobicContact CH2-CG2 4.33Å; W101-T276 HydrophobicContact CZ2-CG2 4.22Å; W101-T276 HydrophobicContact CZ3-CG2 4.21Å |
| 102 | K | 97.8 | Very high | 96.6 | Very high | 101 Ų | 101 | 47.9 Ų | 47.9 | 44% | 0.439 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 175.3 | -74.6 | 175.3 | 176.4 | 177 | 0 | 112.1 | R98 E99 L100 S105 S106 E275 | R98-K102 WeakPolarHBondContact O-CG 3.49Å; R98-K102 PolarHBondContact O-N 3.43Å; E99-K102 WeakPolarHBondContact O-CB 3.39Å; E99-K102 PolarHBondContact O-N 2.87Å; L100-K102 VanDerWaalsContact C-N 3.33Å; L100-K102 PolarHBondContact O-N 3.46Å; K102-S105 PolarHBondContact O-N 3.12Å; K102-S106 WeakPolarHBondContact O-CB 3.21Å; K102-S106 PolarHBondContact O-N 2.95Å; K102-E275 HydrophobicContact CG-CB 4.42Å |
| 103 | E | 97.9 | Very high | 96.6 | Very high | 94 Ų | 94 | 45 Ų | 45 | 44% | 0.439 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.1 | -50.5 | 175.3 | -171.3 | -179.7 | -169.4 | 0 | 0 | 111 | E99 L100 W101 S105 S106 L292 | E99-E103 PolarHBondContact O-N 3.29Å; L100-E103 WeakPolarHBondContact O-CB 3.23Å; L100-E103 PolarHBondContact O-N 2.81Å; W101-E103 VanDerWaalsContact C-N 3.34Å; W101-E103 PolarHBondContact O-N 3.3Å; E103-S105 VanDerWaalsContact C-N 3.34Å; E103-S105 PolarHBondContact O-N 3.37Å; E103-S106 PolarHBondContact O-N 3.25Å; E103-S106 PolarHBondContact O-OG 3.32Å; E103-L292 HydrophobicContact CG-CD1 4.2Å; E103-L292 HydrophobicContact CG-CD2 3.97Å; E103-L292 WeakPolarHBondContact OE1-CD2 3.39Å |
| 104 | F | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.6 | -42.6 | 174 | -82.5 | -77.4 | 0 | 0 | 0 | 112.5 | L100 W101 S106 V107 G108 T109 F153 P154 I289 L292 K293 | L100-F104 HydrophobicContact CD1-CD2 4.13Å; L100-F104 HydrophobicContact CD1-CE2 3.74Å; L100-F104 HydrophobicContact CD2-CE2 4.48Å; L100-F104 HydrophobicContact CG-CD2 4.06Å; L100-F104 HydrophobicContact CG-CE2 3.92Å; L100-F104 VanDerWaalsContact O-CD2 3.27Å; L100-F104 WeakPolarHBondContact O-CD2 3.48Å; L100-F104 PolarHBondContact O-N 3.4Å; W101-F104 PolarHBondContact O-N 3.43Å; F104-S106 VanDerWaalsContact C-N 3.35Å; F104-S106 PolarHBondContact O-N 3.13Å; F104-V107 PolarHBondContact O-N 3.39Å; F104-G108 CarbonylContact O-C 3.57Å; F104-G108 PolarHBondContact O-N 3.3Å; F104-G108 VanDerWaalsContact O-N 3.12Å; F104-T109 VanDerWaalsContact C-OG1 3.22Å; F104-T109 HydrophobicContact CB-CG2 4.19Å; F104-T109 PolarHBondContact O-N 3.21Å; F104-T109 VanDerWaalsContact O-N 3.12Å; F104-T109 PolarHBondContact O-OG1 3.29Å; F104-F153 HydrophobicContact CE2-CD1 4.32Å; F104-F153 AromaticContact CE2-CE1 3.86Å; F104-F153 HydrophobicContact CE2-CE1 3.86Å; F104-F153 HydrophobicContact CZ-CD1 4.02Å; F104-F153 AromaticContact CZ-CE1 3.75Å; F104-F153 HydrophobicContact CZ-CE1 3.75Å; F104-P154 HydrophobicContact CD2-CG 3.39Å; F104-P154 HydrophobicContact CE2-CG 3.56Å; F104-P154 HydrophobicContact CG-CG 4.28Å; F104-I289 HydrophobicContact CD1-CD1 4.05Å; F104-I289 HydrophobicContact CE1-CG2 4.42Å; F104-L292 HydrophobicContact CD1-CB 4.36Å; F104-L292 HydrophobicContact CD1-CD1 4.38Å; F104-L292 HydrophobicContact CE1-CB 3.64Å; F104-L292 HydrophobicContact CE1-CD1 4.47Å; F104-L292 HydrophobicContact CZ-CB 3.77Å; F104-K293 HydrophobicContact CE1-CD 3.64Å; F104-K293 HydrophobicContact CE1-CG 3.94Å; F104-K293 HydrophobicContact CZ-CD 3.93Å; F104-K293 HydrophobicContact CZ-CG 4.35Å |
| 105 | S | 97.5 | Very high | 94.5 | Very high | 48 Ų | 48 | 49.5 Ų | 49.5 | 34% | 0.336 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | -179 | -169 | 0 | 0 | 0 | 0 | 111.8 | W101 K102 E103 V107 G108 T109 | W101-S105 VanDerWaalsContact O-CB 3.23Å; W101-S105 WeakPolarHBondContact O-CB 3.38Å; W101-S105 PolarHBondContact O-N 3.12Å; K102-S105 PolarHBondContact O-N 3.12Å; E103-S105 VanDerWaalsContact C-N 3.34Å; E103-S105 PolarHBondContact O-N 3.37Å; S105-V107 PolarHBondContact O-N 3.08Å; S105-G108 PolarHBondContact O-N 3.18Å; S105-G108 VanDerWaalsContact O-N 3.08Å; S105-T109 WeakPolarHBondContact CA-OG1 3.47Å; S105-T109 PolarHBondContact N-OG1 3.49Å |
| 106 | S | 97.3 | Very high | 92.3 | Very high | 98 Ų | 98 | 49.7 Ų | 49.7 | 69% | 0.685 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -61.1 | -28.4 | 180 | 74 | 0 | 0 | 0 | 0 | 113.6 | K102 E103 F104 | K102-S106 WeakPolarHBondContact O-CB 3.21Å; K102-S106 PolarHBondContact O-N 2.95Å; E103-S106 PolarHBondContact O-N 3.25Å; E103-S106 PolarHBondContact O-OG 3.32Å; F104-S106 VanDerWaalsContact C-N 3.35Å; F104-S106 PolarHBondContact O-N 3.13Å |
| 107 | V | 95.1 | Very high | 89.6 | Confident | 34 Ų | 34 | 49.6 Ų | 49.6 | 21% | 0.206 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -96.2 | -13.6 | -179.9 | -179.6 | 0 | 0 | 0 | 0 | 112.1 | F104 S105 N286 Q288 I289 L292 | F104-V107 PolarHBondContact O-N 3.39Å; S105-V107 PolarHBondContact O-N 3.08Å; V107-N286 WeakPolarHBondContact CG1-ND2 3.38Å; V107-N286 PolarHBondContact O-ND2 3.4Å; V107-Q288 HydrophobicContact CG1-CB 3.59Å; V107-I289 HydrophobicContact CB-CD1 3.82Å; V107-I289 HydrophobicContact CG1-CD1 3.65Å; V107-I289 HydrophobicContact CG1-CG1 3.88Å; V107-L292 HydrophobicContact CB-CD1 4.42Å; V107-L292 HydrophobicContact CG2-CD1 4.05Å |
| 108 | G | 95.8 | Very high | 86.6 | Confident | 24 Ų | 24 | 48.7 Ų | 48.7 | 25% | 0.247 | 27% | 0.272 | C | S | . | . | trans | 91.3 | 85.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F104 S105 E110 I289 | F104-G108 CarbonylContact O-C 3.57Å; F104-G108 PolarHBondContact O-N 3.3Å; F104-G108 VanDerWaalsContact O-N 3.12Å; S105-G108 PolarHBondContact O-N 3.18Å; S105-G108 VanDerWaalsContact O-N 3.08Å; G108-E110 PolarHBondContact O-N 3.33Å; G108-I289 WeakPolarHBondContact O-CD1 3.5Å | ||
| 109 | T | 97.9 | Very high | 83.7 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 3% | 0.025 | 30% | 0.295 | C | S | . | . | trans | -51.1 | 130.6 | -177.2 | -49.7 | 0 | 0 | 0 | 0 | 112.8 | W101 F104 S105 M111 T277 F278 I279 | W101-T109 HydrophobicContact CZ3-CG2 4.32Å; F104-T109 VanDerWaalsContact C-OG1 3.22Å; F104-T109 HydrophobicContact CB-CG2 4.19Å; F104-T109 PolarHBondContact O-N 3.21Å; F104-T109 VanDerWaalsContact O-N 3.12Å; F104-T109 PolarHBondContact O-OG1 3.29Å; S105-T109 WeakPolarHBondContact CA-OG1 3.47Å; S105-T109 PolarHBondContact N-OG1 3.49Å; T109-M111 HydrophobicContact CG2-CE 3.85Å; T109-T277 WeakPolarHBondContact CB-O 3.29Å; T109-T277 PolarHBondContact OG1-O 3.38Å; T109-F278 HydrophobicContact CG2-CB 3.71Å; T109-F278 CarbonylContact O-C 3.56Å; T109-F278 VanDerWaalsContact O-CA 3.28Å; T109-F278 WeakPolarHBondContact O-CA 3.33Å; T109-F278 WeakPolarHBondContact O-CB 3.36Å; T109-I279 PolarHBondContact O-N 2.86Å | ||
| 110 | E | 97.5 | Very high | 80.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 139 | 173 | -59.5 | 175.7 | -170.2 | 0 | 0 | 111.5 | G108 W190 I279 V281 Y284 Q285 N286 I289 K293 | G108-E110 PolarHBondContact O-N 3.33Å; E110-W190 HydrophobicContact CG-CZ2 4.03Å; E110-W190 WeakPolarHBondContact OE1-CZ2 3.35Å; E110-I279 WeakPolarHBondContact CA-O 3.28Å; E110-V281 HydrophobicContact CB-CG2 3.98Å; E110-V281 HydrophobicContact CG-CG1 4.48Å; E110-Y284 HydrophobicContact CB-CD1 4.01Å; E110-Y284 HydrophobicContact CB-CE1 4.32Å; E110-Y284 WeakPolarHBondContact OE2-CA 3.12Å; E110-Y284 WeakPolarHBondContact OE2-CD1 3.27Å; E110-Q285 PolarHBondContact OE2-N 2.56Å; E110-N286 VanDerWaalsContact OE1-CB 3.28Å; E110-N286 WeakPolarHBondContact OE1-CB 2.96Å; E110-N286 PolarHBondContact OE1-N 3.17Å; E110-I289 HydrophobicContact CB-CG2 4.09Å; E110-I289 HydrophobicContact CG-CG1 4.3Å; E110-I289 HydrophobicContact CG-CG2 4.46Å; E110-K293 WeakPolarHBondContact O-CE 3.47Å; E110-K293 PolarHBondContact O-NZ 3.09Å |
| 111 | M | 96.5 | Very high | 78 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 128 | 175.3 | -63.1 | -64.1 | -176 | 0 | 0 | 111 | W101 T109 M152 F153 L229 F278 I279 S280 V281 | W101-M111 HydrophobicContact CH2-CE 3.6Å; W101-M111 HydrophobicContact CZ3-CE 3.79Å; T109-M111 HydrophobicContact CG2-CE 3.85Å; M111-M152 HydrophobicContact CE-CB 4.33Å; M111-M152 HydrophobicContact SD-CB 4.22Å; M111-M152 HydrophobicContact SD-CG 4.44Å; M111-F153 WeakPolarHBondContact CE-O 3.4Å; M111-F153 VanDerWaalsContact SD-O 3.35Å; M111-L229 HydrophobicContact CB-CD1 3.85Å; M111-L229 HydrophobicContact CG-CD1 4.45Å; M111-F278 HydrophobicContact CB-CD2 3.49Å; M111-F278 VanDerWaalsContact CB-CD2 3.49Å; M111-F278 HydrophobicContact CB-CE2 3.68Å; M111-F278 HydrophobicContact CB-CG 4.13Å; M111-F278 HydrophobicContact CB-CZ 4.45Å; M111-F278 HydrophobicContact CG-CB 3.82Å; M111-F278 HydrophobicContact CG-CD1 3.92Å; M111-F278 HydrophobicContact CG-CD2 3.31Å; M111-F278 HydrophobicContact CG-CE1 4.3Å; M111-F278 HydrophobicContact CG-CE2 3.76Å; M111-F278 HydrophobicContact CG-CG 3.4Å; M111-F278 VanDerWaalsContact CG-CG 3.4Å; M111-F278 HydrophobicContact CG-CZ 4.23Å; M111-I279 PolarHBondContact N-O 2.82Å; M111-S280 CarbonylContact O-C 3.59Å; M111-S280 WeakPolarHBondContact O-CA 3.22Å; M111-V281 PolarHBondContact O-N 2.85Å |
| 112 | I | 93.9 | Very high | 75.3 | Confident | 21 Ų | 21 | 53.6 Ų | 53.6 | 11% | 0.108 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 130.7 | 179 | -55.6 | -77.5 | 0 | 0 | 0 | 109.7 | R150 V281 Y284 | I112-R150 HydrophobicContact CB-CB 4.28Å; I112-R150 HydrophobicContact CB-CG 4.04Å; I112-R150 HydrophobicContact CG2-CB 4.37Å; I112-R150 HydrophobicContact CG2-CG 3.71Å; I112-R150 VanDerWaalsContact O-CB 3.26Å; I112-R150 WeakPolarHBondContact O-CB 3.5Å; I112-V281 CarbonylContact C-O 3.5Å; I112-V281 WeakPolarHBondContact CA-O 3.45Å; I112-V281 HydrophobicContact CD1-CG2 3.9Å; I112-Y284 HydrophobicContact CD1-CD1 3.9Å; I112-Y284 HydrophobicContact CD1-CD2 4.07Å; I112-Y284 HydrophobicContact CD1-CE1 3.88Å; I112-Y284 HydrophobicContact CD1-CE2 4.06Å; I112-Y284 HydrophobicContact CD1-CG 3.98Å; I112-Y284 HydrophobicContact CG1-CD1 4.27Å; I112-Y284 HydrophobicContact CG1-CD2 4.49Å; I112-Y284 HydrophobicContact CG1-CE1 3.72Å; I112-Y284 HydrophobicContact CG1-CE2 3.98Å |
| 113 | I | 91.8 | Very high | 72.7 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | trans | -112.3 | 147.9 | 169 | 68.3 | -177.5 | 0 | 0 | 0 | 109.7 | L229 N231 L242 V281 T282 | I113-L229 HydrophobicContact CB-CB 4.48Å; I113-L229 HydrophobicContact CG2-CB 3.71Å; I113-L229 HydrophobicContact CG2-CD1 4.37Å; I113-N231 HydrophobicContact CD1-CB 3.6Å; I113-N231 HydrophobicContact CG1-CB 3.99Å; I113-L242 WeakPolarHBondContact CD1-O 3.38Å; I113-L242 HydrophobicContact CG2-CB 4.5Å; I113-L242 HydrophobicContact CG2-CD1 4.42Å; I113-V281 PolarHBondContact N-O 2.82Å; I113-T282 HydrophobicContact CG1-CG2 4.26Å | ||
| 114 | T | 81.6 | Confident | 70.3 | Confident | 21 Ų | 21 | 51.3 Ų | 51.3 | 13% | 0.129 | 34% | 0.335 | C | S | . | . | B | Isolated β-bridge | trans | -123.1 | 155.7 | -179.6 | 50.3 | 0 | 0 | 0 | 0 | 111.7 | A116 L148 H149 R150 T230 N231 | T114-A116 PolarHBondContact O-N 3.38Å; T114-L148 VanDerWaalsContact CB-O 3.28Å; T114-L148 WeakPolarHBondContact CB-O 3.33Å; T114-L148 PolarHBondContact OG1-O 3.07Å; T114-H149 VanDerWaalsContact OG1-CA 3.31Å; T114-H149 WeakPolarHBondContact OG1-CA 2.97Å; T114-R150 HydrophobicContact CG2-CB 4.45Å; T114-R150 HydrophobicContact CG2-CG 3.58Å; T114-T230 VanDerWaalsContact O-CA 3.32Å; T114-T230 WeakPolarHBondContact O-CA 3.44Å; T114-T230 PolarHBondContact O-OG1 3.39Å; T114-T230 VanDerWaalsContact O-OG1 3.11Å; T114-N231 PolarHBondContact O-N 2.93Å; T114-N231 PolarHBondContact O-OD1 2.76Å |
| 115 | K | 67.6 | Low | 67.5 | Low | 146 Ų | 146 | 56.3 Ų | 56.3 | 64% | 0.635 | 36% | 0.36 | S | S | * | . | trans | -81.1 | 113.8 | 170.9 | -168.2 | 177.8 | 177.7 | -180 | 0 | 109.1 | G117 N231 | K115-G117 PolarHBondContact O-N 2.97Å; K115-G117 VanDerWaalsContact O-N 3.17Å; K115-N231 WeakPolarHBondContact CA-OD1 3.22Å; K115-N231 VanDerWaalsContact CB-OD1 3.27Å; K115-N231 WeakPolarHBondContact CB-OD1 3.46Å; K115-N231 PolarHBondContact N-OD1 3.47Å; K115-N231 VanDerWaalsContact N-OD1 3.17Å | ||
| 116 | A | 51.9 | Low | 64.7 | Low | 20 Ų | 20 | 56 Ų | 56 | 17% | 0.165 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -67.6 | 106.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | T114 | T114-A116 PolarHBondContact O-N 3.38Š|
| 117 | G | 39.8 | Very low | 61.9 | Low | 51 Ų | 51 | 60.4 Ų | 60.4 | 53% | 0.526 | 36% | 0.359 | S | S | . | . | trans | 128.7 | 79.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | K115 | K115-G117 PolarHBondContact O-N 2.97Å; K115-G117 VanDerWaalsContact O-N 3.17Å | ||
| 118 | S | 31.9 | Very low | 59.3 | Low | 71 Ų | 71 | 65 Ų | 65 | 50% | 0.497 | 37% | 0.373 | S | S | . | . | trans | -162.6 | 109.9 | 132.1 | 50.9 | 0 | 0 | 0 | 0 | 107.5 | G120 | S118-G120 PolarHBondContact O-N 2.76Å; S118-G120 VanDerWaalsContact O-N 3.08Å | ||
| 119 | S | 37.2 | Very low | 56.7 | Low | 130 Ų | 130 | 69.2 Ų | 69.2 | 91% | 0.909 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -52.4 | 110.9 | 158.4 | 46.2 | 0 | 0 | 0 | 0 | 108 | ||
| 120 | G | 38.1 | Very low | 53.9 | Low | 57 Ų | 57 | 73.5 Ų | 73.5 | 59% | 0.588 | 41% | 0.411 | S | S | * | . | S | Bend | trans | 100.4 | 130.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S118 | S118-G120 PolarHBondContact O-N 2.76Å; S118-G120 VanDerWaalsContact O-N 3.08Å |
| 121 | E | 36 | Very low | 50.7 | Low | 133 Ų | 133 | 85 Ų | 85 | 62% | 0.621 | 45% | 0.454 | S | S | * | . | trans | 80.8 | 108.4 | 173.6 | -71.2 | -66.1 | 128.5 | 0 | 0 | 118.6 | V123 | E121-V123 VanDerWaalsContact C-N 3.34Å; E121-V123 HydrophobicContact CB-CG2 4.01Å; E121-V123 PolarHBondContact O-N 2.82Å | ||
| 122 | P | 40 | Very low | 47.8 | Very low | 70 Ų | 70 | 88.1 Ų | 88.1 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | trans | -78.2 | 79 | 171.8 | 33.1 | -31.6 | 0 | 0 | 0 | 110.5 | V124 | P122-V124 PolarHBondContact O-N 3.49Š| ||
| 123 | V | 44.8 | Very low | 45.1 | Very low | 66 Ų | 66 | 92.7 Ų | 92.7 | 40% | 0.4 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -72.9 | -23 | -172.7 | 179 | 0 | 0 | 0 | 0 | 113.8 | E121 | E121-V123 VanDerWaalsContact C-N 3.34Å; E121-V123 HydrophobicContact CB-CG2 4.01Å; E121-V123 PolarHBondContact O-N 2.82Å |
| 124 | V | 46.3 | Very low | 42.3 | Very low | 80 Ų | 80 | 98.6 Ų | 98.6 | 49% | 0.485 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -98.3 | -22.5 | -162.2 | -171.5 | 0 | 0 | 0 | 0 | 114.9 | P122 T282 | P122-V124 PolarHBondContact O-N 3.49Å; V124-T282 WeakPolarHBondContact CG1-O 3.37Å |
| 125 | M | 38.6 | Very low | 40.3 | Very low | 106 Ų | 106 | 103.9 Ų | 103.9 | 52% | 0.522 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -88.5 | -18.1 | 167 | -103.6 | 175.9 | 171.3 | 0 | 0 | 112.7 | W129 R150 | M125-W129 WeakPolarHBondContact O-CB 3.47Å; M125-R150 PolarHBondContact SD-NH2 3.32Å |
| 126 | S | 39.4 | Very low | 38.6 | Very low | 41 Ų | 41 | 101.8 Ų | 101.8 | 29% | 0.287 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -80.1 | -27.2 | -175.7 | -162.6 | 0 | 0 | 0 | 0 | 113.6 | C130 | S126-C130 PolarHBondContact O-N 3.1Å |
| 127 | R | 37.7 | Very low | 37.9 | Very low | 190 Ų | 190 | 108.3 Ų | 108.3 | 72% | 0.717 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -80.7 | -38.3 | -175.7 | -71.9 | -170 | -175.2 | -152.7 | 2.2 | 114.2 | W129 | R127-W129 VanDerWaalsContact C-N 3.29Å; R127-W129 PolarHBondContact O-N 3.38Å |
| 128 | Y | 41 | Very low | 37.9 | Very low | 131 Ų | 131 | 109.4 Ų | 109.4 | 51% | 0.514 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69.1 | -29.2 | 172.4 | -90.3 | -98.6 | 0 | 0 | 0 | 112.3 | A283 Y284 | Y128-A283 HydrophobicContact CD2-CB 3.61Å; Y128-A283 HydrophobicContact CE2-CB 3.12Å; Y128-Y284 PolarHBondContact OH-O 2.97Å |
| 129 | W | 40.4 | Very low | 38.1 | Very low | 113 Ų | 113 | 110.4 Ų | 110.4 | 43% | 0.428 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -77.9 | -28.7 | -178.7 | -162.8 | -103.6 | 0 | 0 | 0 | 113.9 | M125 R127 W135 F303 | M125-W129 WeakPolarHBondContact O-CB 3.47Å; R127-W129 VanDerWaalsContact C-N 3.29Å; R127-W129 PolarHBondContact O-N 3.38Å; W129-W135 AromaticContact CD1-CE2 3.74Å; W129-W135 AromaticContact CD1-NE1 3.14Å; W129-W135 HydrophobicContact CD2-CZ2 4.5Å; W129-W135 AromaticContact CE2-CE2 3.78Å; W129-W135 AromaticContact CE2-CZ2 3.27Å; W129-W135 AromaticContact CE2-NE1 3.83Å; W129-W135 HydrophobicContact CH2-CZ2 4.43Å; W129-W135 AromaticContact CZ2-CH2 3.89Å; W129-W135 HydrophobicContact CZ2-CH2 3.89Å; W129-W135 AromaticContact CZ2-CZ2 3.25Å; W129-W135 HydrophobicContact CZ2-CZ2 3.25Å; W129-W135 AromaticContact NE1-CE2 3.02Å; W129-W135 AromaticContact NE1-CH2 4Å; W129-W135 AromaticContact NE1-CZ2 2.96Å; W129-W135 AromaticContact NE1-NE1 2.95Å; W129-F303 AromaticContact CH2-CD1 3.87Å; W129-F303 HydrophobicContact CH2-CD1 3.87Å; W129-F303 AromaticContact CH2-CE1 3.55Å; W129-F303 HydrophobicContact CH2-CE1 3.55Å; W129-F303 HydrophobicContact CZ2-CE1 4.43Å; W129-F303 AromaticContact CZ3-CD1 3.98Å; W129-F303 HydrophobicContact CZ3-CD1 3.98Å; W129-F303 AromaticContact CZ3-CE1 3.67Å; W129-F303 HydrophobicContact CZ3-CE1 3.67Å |
| 130 | C | 40 | Very low | 37.9 | Very low | 93 Ų | 93 | 109.9 Ų | 109.9 | 63% | 0.628 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -76.7 | -26.3 | 176.5 | -105.3 | 0 | 0 | 0 | 0 | 114 | S126 | S126-C130 PolarHBondContact O-N 3.1Å |
| 131 | W | 29.8 | Very low | 37.9 | Very low | 242 Ų | 242 | 115.1 Ų | 115.1 | 92% | 0.917 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -90.9 | -28 | -174.8 | -126.6 | 77.4 | 0 | 0 | 0 | 113.3 | ||
| 132 | A | 36.2 | Very low | 37.8 | Very low | 67 Ų | 67 | 113.9 Ų | 113.9 | 55% | 0.554 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -87.4 | -22.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 133 | H | 36.7 | Very low | 37.7 | Very low | 118 Ų | 118 | 118.7 Ų | 118.7 | 55% | 0.546 | 64% | 0.637 | S | S | . | * | trans | -149.7 | 115.7 | 178.6 | -64 | -67.3 | 0 | 0 | 0 | 111.2 | W135 | H133-W135 PolarHBondContact O-N 3.37Š| ||
| 134 | P | 33.5 | Very low | 37.2 | Very low | 125 Ų | 125 | 122.8 Ų | 122.8 | 81% | 0.812 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 120.3 | 167 | -15.8 | 28.5 | 0 | 0 | 0 | 108.9 | ||
| 135 | W | 38.5 | Very low | 36.5 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 50% | 0.5 | 67% | 0.669 | S | S | . | * | P | Polyproline II helix | trans | -77.1 | 134.2 | 172.1 | -74.3 | 76.3 | 0 | 0 | 0 | 109.2 | W129 H133 V137 | W129-W135 AromaticContact CD1-CE2 3.74Å; W129-W135 AromaticContact CD1-NE1 3.14Å; W129-W135 HydrophobicContact CD2-CZ2 4.5Å; W129-W135 AromaticContact CE2-CE2 3.78Å; W129-W135 AromaticContact CE2-CZ2 3.27Å; W129-W135 AromaticContact CE2-NE1 3.83Å; W129-W135 HydrophobicContact CH2-CZ2 4.43Å; W129-W135 AromaticContact CZ2-CH2 3.89Å; W129-W135 HydrophobicContact CZ2-CH2 3.89Å; W129-W135 AromaticContact CZ2-CZ2 3.25Å; W129-W135 HydrophobicContact CZ2-CZ2 3.25Å; W129-W135 AromaticContact NE1-CE2 3.02Å; W129-W135 AromaticContact NE1-CH2 4Å; W129-W135 AromaticContact NE1-CZ2 2.96Å; W129-W135 AromaticContact NE1-NE1 2.95Å; H133-W135 PolarHBondContact O-N 3.37Å; W135-V137 PolarHBondContact O-N 3.35Å |
| 136 | P | 33.4 | Very low | 36.7 | Very low | 101 Ų | 101 | 121.9 Ų | 121.9 | 66% | 0.656 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 132.5 | 168.4 | -18.7 | 29.7 | 0 | 0 | 0 | 109.3 | G138 | P136-G138 PolarHBondContact O-N 2.84Å; P136-G138 VanDerWaalsContact O-N 3.11Å |
| 137 | V | 36.8 | Very low | 36.7 | Very low | 157 Ų | 157 | 125 Ų | 125 | 95% | 0.952 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | 116.4 | 173.5 | 177.4 | 0 | 0 | 0 | 0 | 108.4 | W135 | W135-V137 PolarHBondContact O-N 3.35Š|
| 138 | G | 40.3 | Very low | 37.2 | Very low | 74 Ų | 74 | 121 Ų | 121 | 76% | 0.763 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 126.1 | 9.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | P136 | P136-G138 PolarHBondContact O-N 2.84Å; P136-G138 VanDerWaalsContact O-N 3.11Å |
| 139 | S | 34.9 | Very low | 38 | Very low | 93 Ų | 93 | 116 Ų | 116 | 65% | 0.65 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 117.2 | 174.2 | -71.7 | 0 | 0 | 0 | 0 | 113.1 | R141 | S139-R141 PolarHBondContact O-N 3.43Š|
| 140 | S | 33.5 | Very low | 39.9 | Very low | 119 Ų | 119 | 114.3 Ų | 114.3 | 83% | 0.832 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -55 | 126.6 | 178.1 | -38.9 | 0 | 0 | 0 | 0 | 112.1 | ||
| 141 | R | 38.2 | Very low | 42.3 | Very low | 166 Ų | 166 | 116.5 Ų | 116.5 | 63% | 0.626 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 126.5 | 175.1 | -78.7 | 176.3 | 154.3 | -155.5 | -5 | 110.5 | S139 L143 | S139-R141 PolarHBondContact O-N 3.43Å; R141-L143 PolarHBondContact O-N 3.19Å |
| 142 | P | 33.9 | Very low | 45.2 | Very low | 107 Ų | 107 | 105.4 Ų | 105.4 | 70% | 0.695 | 60% | 0.602 | S | S | * | * | trans | -72 | 111.2 | 161.1 | 19.2 | -13.8 | 0 | 0 | 0 | 108.8 | L144 | P142-L144 PolarHBondContact O-N 3.26Š| ||
| 143 | L | 36.8 | Very low | 47.9 | Very low | 171 Ų | 171 | 103.9 Ų | 103.9 | 90% | 0.895 | 58% | 0.583 | S | S | * | * | trans | -68.7 | 76.7 | 169.2 | -77.4 | 159.2 | 0 | 0 | 0 | 109.6 | R141 | R141-L143 PolarHBondContact O-N 3.19Š| ||
| 144 | L | 35.3 | Very low | 50.8 | Low | 153 Ų | 153 | 98.5 Ų | 98.5 | 80% | 0.801 | 56% | 0.559 | S | S | * | * | trans | -114.4 | 92.5 | 161.8 | -81.3 | 158.1 | 0 | 0 | 0 | 106.4 | P142 P146 | P142-L144 PolarHBondContact O-N 3.26Å; L144-P146 WeakPolarHBondContact O-CD 3.35Å | ||
| 145 | S | 32.5 | Very low | 53.6 | Low | 109 Ų | 109 | 93.8 Ų | 93.8 | 76% | 0.762 | 53% | 0.53 | S | S | * | . | trans | -64.4 | 110 | 168.8 | 31 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 146 | P | 40.8 | Very low | 56.4 | Low | 58 Ų | 58 | 87.6 Ų | 87.6 | 38% | 0.377 | 51% | 0.507 | S | S | . | . | trans | -67.2 | 147.8 | 171.6 | 28.7 | -31.3 | 0 | 0 | 0 | 108.7 | L144 L148 | L144-P146 WeakPolarHBondContact O-CD 3.35Å; P146-L148 PolarHBondContact O-N 3.24Å | ||
| 147 | P | 40.8 | Very low | 59.4 | Low | 105 Ų | 105 | 87.2 Ų | 87.2 | 68% | 0.682 | 49% | 0.493 | S | S | * | . | trans | -54.3 | 137.9 | 177.9 | 20.8 | -31.1 | 0 | 0 | 0 | 110.3 | H149 | P147-H149 PolarHBondContact O-N 2.86Š| ||
| 148 | L | 48.5 | Very low | 62.3 | Low | 106 Ų | 106 | 79.8 Ų | 79.8 | 56% | 0.555 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -60.5 | 3.6 | -171.1 | -67.6 | 161 | 0 | 0 | 0 | 115.3 | T114 P146 | T114-L148 VanDerWaalsContact CB-O 3.28Å; T114-L148 WeakPolarHBondContact CB-O 3.33Å; T114-L148 PolarHBondContact OG1-O 3.07Å; P146-L148 PolarHBondContact O-N 3.24Å |
| 149 | H | 57.6 | Low | 65.1 | Low | 26 Ų | 26 | 77.6 Ų | 77.6 | 12% | 0.12 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -134.4 | 131.2 | -176.1 | -54.3 | 93.9 | 0 | 0 | 0 | 110.7 | T114 P147 K228 H239 | T114-H149 VanDerWaalsContact OG1-CA 3.31Å; T114-H149 WeakPolarHBondContact OG1-CA 2.97Å; P147-H149 PolarHBondContact O-N 2.86Å; H149-K228 HydrophobicContact CB-CB 4.08Å; H149-K228 HydrophobicContact CB-CD 3.55Å; H149-K228 HydrophobicContact CB-CG 3.82Å; H149-H239 AromaticContact CD2-CE1 3.33Å; H149-H239 PolarHBondContact CD2-CE1 2.83Å; H149-H239 AromaticContact CD2-ND1 3.36Å; H149-H239 PolarHBondContact CD2-ND1 3.18Å; H149-H239 AromaticContact CE1-CE1 3.58Å; H149-H239 AromaticContact CG-CE1 3.63Å; H149-H239 AromaticContact ND1-CE1 3.78Å; H149-H239 AromaticContact NE2-CE1 3.3Å; H149-H239 PolarHBondContact NE2-CE1 3.35Å; H149-H239 VanDerWaalsContact NE2-CE1 3.3Å; H149-H239 AromaticContact NE2-ND1 3.47Å; H149-H239 PolarHBondContact NE2-ND1 3.02Å |
| 150 | R | 79.9 | Confident | 68 | Low | 78 Ų | 78 | 73.4 Ų | 73.4 | 29% | 0.294 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 130.3 | -179 | -70 | -80.5 | -173 | -172.4 | -4 | 110.6 | I112 T114 M125 L229 | I112-R150 HydrophobicContact CB-CB 4.28Å; I112-R150 HydrophobicContact CB-CG 4.04Å; I112-R150 HydrophobicContact CG2-CB 4.37Å; I112-R150 HydrophobicContact CG2-CG 3.71Å; I112-R150 VanDerWaalsContact O-CB 3.26Å; I112-R150 WeakPolarHBondContact O-CB 3.5Å; T114-R150 HydrophobicContact CG2-CB 4.45Å; T114-R150 HydrophobicContact CG2-CG 3.58Å; M125-R150 PolarHBondContact SD-NH2 3.32Å; R150-L229 PolarHBondContact O-N 3.41Å |
| 151 | R | 89.3 | Confident | 71 | Confident | 140 Ų | 140 | 71.5 Ų | 71.5 | 53% | 0.528 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 150.1 | 170.3 | -67.3 | 171.1 | 176.8 | -178.6 | 2.5 | 109.6 | H225 V227 K228 | R151-H225 VanDerWaalsContact CD-O 3.24Å; R151-H225 WeakPolarHBondContact CD-O 3.45Å; R151-H225 WeakPolarHBondContact CG-O 3.21Å; R151-V227 WeakPolarHBondContact CA-O 3.37Å; R151-K228 HydrophobicContact CG-CG 4.47Å |
| 152 | M | 91.8 | Very high | 73.7 | Confident | 9 Ų | 9 | 65.7 Ų | 65.7 | 4% | 0.044 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 143 | 172.1 | -65.3 | -170.8 | -63.2 | 0 | 0 | 111 | M111 C156 L173 V227 L229 | M111-M152 HydrophobicContact CE-CB 4.33Å; M111-M152 HydrophobicContact SD-CB 4.22Å; M111-M152 HydrophobicContact SD-CG 4.44Å; M152-C156 HydrophobicContact CE-CB 4.35Å; M152-L173 HydrophobicContact CE-CD2 3.74Å; M152-V227 HydrophobicContact CE-CB 3.98Å; M152-V227 HydrophobicContact CE-CG1 3.9Å; M152-V227 HydrophobicContact CE-CG2 4.49Å; M152-L229 HydrophobicContact CG-CD1 3.81Å; M152-L229 HydrophobicContact CG-CD2 4.39Å; M152-L229 HydrophobicContact CG-CG 4.1Å; M152-L229 HydrophobicContact SD-CD1 4.45Å |
| 153 | F | 93.8 | Very high | 76.6 | Confident | 35 Ų | 35 | 61 Ų | 61 | 15% | 0.154 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -141.6 | 129.4 | 166.8 | -175.7 | -84.6 | 0 | 0 | 0 | 109 | L100 F104 M111 K293 A296 N297 | L100-F153 HydrophobicContact CD2-CZ 4.4Å; F104-F153 HydrophobicContact CE2-CD1 4.32Å; F104-F153 AromaticContact CE2-CE1 3.86Å; F104-F153 HydrophobicContact CE2-CE1 3.86Å; F104-F153 HydrophobicContact CZ-CD1 4.02Å; F104-F153 AromaticContact CZ-CE1 3.75Å; F104-F153 HydrophobicContact CZ-CE1 3.75Å; M111-F153 WeakPolarHBondContact CE-O 3.4Å; M111-F153 VanDerWaalsContact SD-O 3.35Å; F153-K293 HydrophobicContact CD1-CD 3.71Å; F153-K293 PolarHBondContact O-NZ 2.9Å; F153-A296 HydrophobicContact CE1-CB 3.88Å; F153-A296 VanDerWaalsContact CZ-C 3.49Å; F153-A296 HydrophobicContact CZ-CB 3.79Å; F153-N297 HydrophobicContact CD1-CB 4.15Å; F153-N297 HydrophobicContact CD2-CB 3.91Å; F153-N297 HydrophobicContact CE1-CB 3.91Å; F153-N297 HydrophobicContact CE2-CB 3.67Å; F153-N297 HydrophobicContact CG-CB 4.16Å; F153-N297 HydrophobicContact CZ-CB 3.67Å |
| 154 | P | 95.7 | Very high | 79.4 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.032 | 31% | 0.309 | C | S | . | . | S | Bend | cis | -56.8 | 154.5 | -8.3 | -20.9 | 33.5 | 0 | 0 | 0 | 111.6 | L100 W101 F104 | L100-P154 HydrophobicContact CD2-CB 4.04Å; L100-P154 HydrophobicContact CD2-CG 3.81Å; L100-P154 HydrophobicContact CG-CG 3.86Å; W101-P154 HydrophobicContact CD2-CB 4.16Å; W101-P154 HydrophobicContact CD2-CG 4.2Å; W101-P154 HydrophobicContact CE3-CG 4.47Å; W101-P154 WeakPolarHBondContact CH2-O 3.42Å; W101-P154 HydrophobicContact CZ2-CB 3.93Å; W101-P154 WeakPolarHBondContact CZ2-O 3.47Å; F104-P154 HydrophobicContact CD2-CG 3.39Å; F104-P154 HydrophobicContact CE2-CG 3.56Å; F104-P154 HydrophobicContact CG-CG 4.28Å |
| 155 | A | 94.2 | Very high | 82.3 | Confident | 26 Ų | 26 | 51.6 Ų | 51.6 | 22% | 0.215 | 29% | 0.29 | C | S | . | . | trans | -76.9 | 138.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | R157 H225 | A155-R157 PolarHBondContact O-N 3.19Å; A155-R157 VanDerWaalsContact O-N 3.15Å; A155-H225 HydrophobicContact CB-CB 3.85Å | ||
| 156 | C | 95.7 | Very high | 85.3 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.014 | 29% | 0.288 | C | S | . | . | trans | -67 | 114.8 | 170.5 | -61 | 0 | 0 | 0 | 0 | 108.6 | M152 F224 | M152-C156 HydrophobicContact CE-CB 4.35Å; C156-F224 HydrophobicContact CB-CB 4.25Å; C156-F224 HydrophobicContact CB-CD2 4.48Å; C156-F224 WeakPolarHBondContact O-CB 3.27Å; C156-F224 PolarHBondContact O-N 3.23Å | ||
| 157 | R | 97.4 | Very high | 87.8 | Confident | 93 Ų | 93 | 51.6 Ų | 51.6 | 35% | 0.351 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 133.3 | 177.5 | -72 | -177.9 | 74.2 | -167.3 | 2.8 | 108 | E96 A155 V222 | E96-R157 HydrophobicContact CB-CB 3.7Å; E96-R157 WeakPolarHBondContact CB-O 3.25Å; E96-R157 HydrophobicContact CG-CB 4.08Å; E96-R157 PolarHBondContact N-O 3.36Å; A155-R157 PolarHBondContact O-N 3.19Å; A155-R157 VanDerWaalsContact O-N 3.15Å; R157-V222 CarbonylContact C-O 3.47Å; R157-V222 WeakPolarHBondContact CA-O 3.5Å |
| 158 | V | 98.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 141.9 | -177.2 | -65.5 | 0 | 0 | 0 | 0 | 111.6 | L93 S94 L95 F171 P221 V222 F224 I252 F273 | L93-V158 HydrophobicContact CD2-CB 4.47Å; L93-V158 HydrophobicContact CD2-CG2 4.13Å; S94-V158 CarbonylContact O-C 3.49Å; S94-V158 WeakPolarHBondContact O-CA 3.26Å; S94-V158 WeakPolarHBondContact O-CB 3.41Å; L95-V158 HydrophobicContact CD1-CG1 4.34Å; V158-F171 HydrophobicContact CG2-CE1 4.19Å; V158-P221 CarbonylContact O-C 3.5Å; V158-P221 WeakPolarHBondContact O-CA 3.5Å; V158-V222 HydrophobicContact CG2-CB 4.06Å; V158-V222 PolarHBondContact N-O 3.11Å; V158-V222 PolarHBondContact O-N 2.89Å; V158-F224 HydrophobicContact CG2-CE2 4.35Å; V158-I252 HydrophobicContact CB-CD1 4.42Å; V158-I252 HydrophobicContact CG1-CD1 3.42Å; V158-I252 VanDerWaalsContact CG1-CD1 3.42Å; V158-I252 HydrophobicContact CG2-CD1 4.09Å; V158-F273 HydrophobicContact CG1-CE2 3.72Å; V158-F273 HydrophobicContact CG1-CZ 4.13Å |
| 159 | S | 98 | Very high | 92.6 | Very high | 28 Ų | 28 | 49.7 Ų | 49.7 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 136.9 | 166.4 | -72.4 | 0 | 0 | 0 | 0 | 109.3 | L93 S94 E96 P221 | L93-S159 CarbonylContact C-O 3.6Å; L93-S159 WeakPolarHBondContact CA-O 3.16Å; S94-S159 PolarHBondContact N-O 3.26Å; S94-S159 PolarHBondContact O-N 3.49Å; S94-S159 WeakPolarHBondContact OG-CB 3.42Å; S94-S159 PolarHBondContact OG-O 3.5Å; E96-S159 WeakPolarHBondContact OE1-CB 3.37Å; E96-S159 PolarHBondContact OE1-OG 3.24Å; S159-P221 WeakPolarHBondContact OG-CG 3.22Å |
| 160 | V | 97.1 | Very high | 94.4 | Very high | 6 Ų | 6 | 49.9 Ų | 49.9 | 4% | 0.036 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 143 | -178.3 | 57.9 | 0 | 0 | 0 | 0 | 110 | V91 S92 L93 L163 F171 W217 M218 | V91-V160 HydrophobicContact CG1-CG2 4.17Å; S92-V160 WeakPolarHBondContact O-CA 3.5Å; L93-V160 HydrophobicContact CD1-CB 4.09Å; L93-V160 HydrophobicContact CD1-CG2 3.66Å; L93-V160 HydrophobicContact CG-CB 4.27Å; L93-V160 HydrophobicContact CG-CG2 4.38Å; V160-L163 HydrophobicContact CG1-CD1 4.04Å; V160-L163 HydrophobicContact CG2-CD1 3.78Å; V160-L163 HydrophobicContact CG2-CD2 4.01Å; V160-L163 HydrophobicContact CG2-CG 3.76Å; V160-F171 HydrophobicContact CB-CZ 4.01Å; V160-F171 HydrophobicContact CG1-CE2 4.39Å; V160-F171 HydrophobicContact CG1-CZ 3.86Å; V160-F171 HydrophobicContact CG2-CZ 4.2Å; V160-W217 HydrophobicContact CG1-CB 3.96Å; V160-W217 WeakPolarHBondContact CG1-O 3.14Å; V160-M218 HydrophobicContact CG1-CG 4.22Å; V160-M218 WeakPolarHBondContact O-CG 3.31Å |
| 161 | T | 96.5 | Very high | 95.2 | Very high | 79 Ų | 79 | 46.1 Ų | 46.1 | 49% | 0.485 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 158.6 | 174.2 | 54.1 | 0 | 0 | 0 | 0 | 110.3 | V91 S92 | V91-T161 WeakPolarHBondContact CA-O 3.42Å; S92-T161 PolarHBondContact N-O 2.87Å; S92-T161 PolarHBondContact O-N 3.37Å; S92-T161 PolarHBondContact OG-OG1 2.93Å |
| 162 | G | 94.4 | Very high | 95.5 | Very high | 44 Ų | 44 | 40.8 Ų | 40.8 | 45% | 0.454 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 83.2 | 15.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | G90 V91 M218 | G90-G162 WeakPolarHBondContact O-CA 3.46Å; V91-G162 WeakPolarHBondContact CG2-O 3.26Å; G162-M218 PolarHBondContact N-SD 2.94Å |
| 163 | L | 94.9 | Very high | 95.8 | Very high | 7 Ų | 7 | 40.3 Ų | 40.3 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | trans | -78.2 | 149.7 | 170.8 | -55.9 | -179.5 | 0 | 0 | 0 | 110.7 | V91 V160 P165 Y169 W217 M218 L254 | V91-L163 HydrophobicContact CG1-CD2 3.77Å; V91-L163 HydrophobicContact CG2-CD2 3.89Å; V160-L163 HydrophobicContact CG1-CD1 4.04Å; V160-L163 HydrophobicContact CG2-CD1 3.78Å; V160-L163 HydrophobicContact CG2-CD2 4.01Å; V160-L163 HydrophobicContact CG2-CG 3.76Å; L163-P165 WeakPolarHBondContact O-CD 3.27Å; L163-Y169 HydrophobicContact CB-CD2 4.5Å; L163-Y169 HydrophobicContact CB-CE2 3.91Å; L163-Y169 HydrophobicContact CD1-CD2 4.26Å; L163-Y169 HydrophobicContact CD1-CE2 4.47Å; L163-Y169 HydrophobicContact CD2-CD1 4.33Å; L163-Y169 HydrophobicContact CD2-CE1 4.05Å; L163-Y169 HydrophobicContact CD2-CE2 4.34Å; L163-Y169 HydrophobicContact CG-CE2 4.47Å; L163-W217 HydrophobicContact CD1-CB 3.8Å; L163-W217 HydrophobicContact CD1-CG 4.42Å; L163-M218 HydrophobicContact CB-CE 4Å; L163-M218 HydrophobicContact CB-CG 4.25Å; L163-M218 HydrophobicContact CB-SD 3.89Å; L163-M218 HydrophobicContact CD1-CG 4.18Å; L163-M218 HydrophobicContact CG-CG 4.22Å; L163-M218 HydrophobicContact CG-SD 4.28Å; L163-M218 PolarHBondContact N-SD 2.54Å; L163-M218 VanDerWaalsContact N-SD 3.42Å; L163-M218 WeakPolarHBondContact O-CE 3.41Å; L163-L254 HydrophobicContact CD2-CD1 4.36Å; L163-L254 HydrophobicContact CD2-CD2 3.47Å; L163-L254 VanDerWaalsContact CD2-CD2 3.47Å; L163-L254 HydrophobicContact CD2-CG 4.49Å | ||
| 164 | D | 94.3 | Very high | 95.9 | Very high | 64 Ų | 64 | 39.3 Ų | 39.3 | 34% | 0.342 | 21% | 0.21 | S | C | . | . | trans | -65.7 | 118.4 | 165.8 | 171.9 | -4.3 | 0 | 0 | 0 | 108.6 | E166 A167 Y169 G214 R256 | D164-E166 PolarHBondContact O-N 3.32Å; D164-E166 VanDerWaalsContact O-N 3.16Å; D164-E166 PolarHBondContact OD1-N 2.86Å; D164-E166 VanDerWaalsContact OD1-N 3.07Å; D164-A167 HydrophobicContact CB-CB 3.79Å; D164-A167 PolarHBondContact O-N 3.23Å; D164-A167 WeakPolarHBondContact OD2-CB 3.32Å; D164-Y169 WeakPolarHBondContact CB-OH 3.45Å; D164-Y169 PolarHBondContact N-OH 3.02Å; D164-G214 WeakPolarHBondContact O-CA 3.39Å; D164-R256 IonicContact OD2-NH2 3.89Å; D164-R256 PolarHBondContact OD2-NH2 2.8Å | ||
| 165 | P | 96.7 | Very high | 95.9 | Very high | 63 Ų | 63 | 40 Ų | 40 | 41% | 0.409 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -55.5 | -32.5 | -175.4 | -27.9 | 36.6 | 0 | 0 | 0 | 114.4 | L163 T213 G214 A215 M218 | L163-P165 WeakPolarHBondContact O-CD 3.27Å; P165-T213 WeakPolarHBondContact O-CB 3.28Å; P165-G214 PolarHBondContact O-N 3.22Å; P165-A215 HydrophobicContact CB-CB 4.12Å; P165-A215 WeakPolarHBondContact O-CB 3.3Å; P165-A215 PolarHBondContact O-N 3.39Å; P165-M218 HydrophobicContact CG-CE 4.37Å |
| 166 | E | 96.1 | Very high | 95.9 | Very high | 156 Ų | 156 | 40 Ų | 40 | 73% | 0.729 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -94.7 | -22.7 | -173.6 | -61.4 | -54.3 | 127.9 | 0 | 0 | 112.8 | D164 | D164-E166 PolarHBondContact O-N 3.32Å; D164-E166 VanDerWaalsContact O-N 3.16Å; D164-E166 PolarHBondContact OD1-N 2.86Å; D164-E166 VanDerWaalsContact OD1-N 3.07Å |
| 167 | A | 93.7 | Very high | 96 | Very high | 12 Ų | 12 | 41.4 Ų | 41.4 | 10% | 0.099 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -71.4 | 146.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | D164 Y169 T213 G214 R256 | D164-A167 HydrophobicContact CB-CB 3.79Å; D164-A167 PolarHBondContact O-N 3.23Å; D164-A167 WeakPolarHBondContact OD2-CB 3.32Å; A167-Y169 HydrophobicContact CB-CD2 4.48Å; A167-Y169 HydrophobicContact CB-CE2 3.66Å; A167-Y169 VanDerWaalsContact O-CD2 3.29Å; A167-Y169 WeakPolarHBondContact O-CD2 3.45Å; A167-Y169 WeakPolarHBondContact O-CE2 3.18Å; A167-T213 CarbonylContact O-C 3.58Å; A167-T213 VanDerWaalsContact O-CA 3.24Å; A167-T213 WeakPolarHBondContact O-CA 3.46Å; A167-G214 PolarHBondContact O-N 3.21Å; A167-R256 HydrophobicContact CB-CG 4.46Å |
| 168 | R | 95.1 | Very high | 95.9 | Very high | 159 Ų | 159 | 39.9 Ų | 39.9 | 60% | 0.6 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 140 | 174.4 | -68.7 | -175.7 | 179 | 147 | 0.8 | 111.8 | A212 T213 A257 | R168-A212 CarbonylContact C-O 3.57Å; R168-A212 WeakPolarHBondContact CA-O 3.42Å; R168-T213 HydrophobicContact CG-CG2 4.32Å; R168-A257 HydrophobicContact CB-CB 3.81Å; R168-A257 WeakPolarHBondContact O-CB 3.41Å; R168-A257 PolarHBondContact O-N 3.16Å |
| 169 | Y | 95 | Very high | 95.8 | Very high | 11 Ų | 11 | 42 Ų | 42 | 4% | 0.043 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 151.9 | -179.7 | -60.7 | -92.8 | 0 | 0 | 0 | 111.5 | L88 L163 D164 A167 P211 A212 W217 L254 V255 R256 | L88-Y169 HydrophobicContact CD1-CE1 4.42Å; L163-Y169 HydrophobicContact CB-CD2 4.5Å; L163-Y169 HydrophobicContact CB-CE2 3.91Å; L163-Y169 HydrophobicContact CD1-CD2 4.26Å; L163-Y169 HydrophobicContact CD1-CE2 4.47Å; L163-Y169 HydrophobicContact CD2-CD1 4.33Å; L163-Y169 HydrophobicContact CD2-CE1 4.05Å; L163-Y169 HydrophobicContact CD2-CE2 4.34Å; L163-Y169 HydrophobicContact CG-CE2 4.47Å; D164-Y169 WeakPolarHBondContact CB-OH 3.45Å; D164-Y169 PolarHBondContact N-OH 3.02Å; A167-Y169 HydrophobicContact CB-CD2 4.48Å; A167-Y169 HydrophobicContact CB-CE2 3.66Å; A167-Y169 VanDerWaalsContact O-CD2 3.29Å; A167-Y169 WeakPolarHBondContact O-CD2 3.45Å; A167-Y169 WeakPolarHBondContact O-CE2 3.18Å; Y169-P211 WeakPolarHBondContact O-CA 3.32Å; Y169-A212 PolarHBondContact N-O 3.3Å; Y169-A212 PolarHBondContact O-N 3.45Å; Y169-W217 PolarHBondContact O-NE1 3.28Å; Y169-W217 VanDerWaalsContact O-NE1 3.09Å; Y169-L254 HydrophobicContact CD1-CD1 3.87Å; Y169-L254 HydrophobicContact CD1-CG 4.16Å; Y169-L254 HydrophobicContact CG-CD1 4.07Å; Y169-V255 CarbonylContact C-O 3.49Å; Y169-V255 VanDerWaalsContact CA-O 3.23Å; Y169-V255 WeakPolarHBondContact CA-O 3.33Å; Y169-R256 HydrophobicContact CD1-CB 3.99Å; Y169-R256 HydrophobicContact CD1-CG 4.14Å; Y169-R256 HydrophobicContact CE1-CB 3.88Å; Y169-R256 HydrophobicContact CE1-CG 3.79Å |
| 170 | L | 95.5 | Very high | 95.7 | Very high | 30 Ų | 30 | 43.4 Ų | 43.4 | 16% | 0.157 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 137.1 | 169.7 | -59.5 | 86.7 | 0 | 0 | 0 | 109.4 | L172 P211 L254 V255 A257 L260 | L170-L172 HydrophobicContact CB-CD1 4.03Å; L170-P211 HydrophobicContact CD1-CB 4.41Å; L170-P211 HydrophobicContact CG-CB 4.25Å; L170-L254 WeakPolarHBondContact O-CA 3.41Å; L170-V255 HydrophobicContact CB-CB 4.49Å; L170-V255 PolarHBondContact N-O 3.47Å; L170-V255 PolarHBondContact O-N 3.06Å; L170-A257 HydrophobicContact CD1-CB 3.91Å; L170-L260 HydrophobicContact CD1-CD1 3.39Å; L170-L260 HydrophobicContact CD2-CD1 4.33Å; L170-L260 HydrophobicContact CG-CD1 4.49Å |
| 171 | F | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 124.8 | 169 | -92.8 | -100.2 | 0 | 0 | 0 | 109.4 | L93 V158 V160 H207 S210 W217 V222 F224 I252 H253 L254 | L93-F171 HydrophobicContact CD2-CE1 4Å; V158-F171 HydrophobicContact CG2-CE1 4.19Å; V160-F171 HydrophobicContact CB-CZ 4.01Å; V160-F171 HydrophobicContact CG1-CE2 4.39Å; V160-F171 HydrophobicContact CG1-CZ 3.86Å; V160-F171 HydrophobicContact CG2-CZ 4.2Å; F171-H207 HydrophobicContact CB-CB 3.92Å; F171-H207 WeakPolarHBondContact O-CB 3.16Å; F171-H207 PolarHBondContact O-N 2.86Å; F171-S210 PolarHBondContact N-OG 3.47Å; F171-S210 PolarHBondContact O-OG 2.87Å; F171-W217 HydrophobicContact CB-CH2 4Å; F171-W217 HydrophobicContact CB-CZ2 4.28Å; F171-W217 HydrophobicContact CB-CZ3 4.34Å; F171-W217 AromaticContact CD2-CD2 3.51Å; F171-W217 HydrophobicContact CD2-CD2 3.51Å; F171-W217 AromaticContact CD2-CE2 3.58Å; F171-W217 AromaticContact CD2-CE3 3.77Å; F171-W217 HydrophobicContact CD2-CE3 3.77Å; F171-W217 AromaticContact CD2-CG 3.99Å; F171-W217 HydrophobicContact CD2-CG 3.99Å; F171-W217 HydrophobicContact CD2-CH2 4.07Å; F171-W217 AromaticContact CD2-CZ2 3.87Å; F171-W217 HydrophobicContact CD2-CZ2 3.87Å; F171-W217 HydrophobicContact CD2-CZ3 4.04Å; F171-W217 HydrophobicContact CE2-CB 4Å; F171-W217 AromaticContact CE2-CD2 3.67Å; F171-W217 HydrophobicContact CE2-CD2 3.67Å; F171-W217 HydrophobicContact CE2-CE3 4.04Å; F171-W217 AromaticContact CE2-CG 3.67Å; F171-W217 HydrophobicContact CE2-CG 3.67Å; F171-W217 HydrophobicContact CG-CE3 4.43Å; F171-W217 HydrophobicContact CG-CH2 4.38Å; F171-W217 HydrophobicContact CG-CZ3 4.35Å; F171-V222 HydrophobicContact CB-CG1 4.44Å; F171-V222 HydrophobicContact CD1-CG1 4.07Å; F171-V222 HydrophobicContact CE1-CG2 4.23Å; F171-V222 HydrophobicContact CE2-CG2 4.41Å; F171-V222 HydrophobicContact CG-CG1 4.2Å; F171-V222 HydrophobicContact CZ-CG2 4.18Å; F171-F224 HydrophobicContact CB-CZ 4.07Å; F171-F224 HydrophobicContact CD1-CE2 4.44Å; F171-F224 HydrophobicContact CD1-CZ 4.08Å; F171-I252 HydrophobicContact CD1-CG2 3.95Å; F171-I252 HydrophobicContact CE1-CG2 4.24Å; F171-H253 WeakPolarHBondContact CA-O 3.46Å; F171-L254 HydrophobicContact CD2-CD1 3.82Å; F171-L254 HydrophobicContact CE2-CD1 3.4Å; F171-L254 HydrophobicContact CZ-CD1 3.83Å |
| 172 | L | 95.8 | Very high | 95.7 | Very high | 27 Ų | 27 | 46.1 Ų | 46.1 | 14% | 0.141 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 154.5 | 177.1 | -45 | 86.5 | 0 | 0 | 0 | 110.4 | L170 V204 Y205 I206 I252 H253 V255 | L170-L172 HydrophobicContact CB-CD1 4.03Å; L172-V204 HydrophobicContact CD2-CB 4.43Å; L172-V204 HydrophobicContact CD2-CG2 4.11Å; L172-Y205 CarbonylContact C-O 3.52Å; L172-Y205 WeakPolarHBondContact CA-O 3.36Å; L172-I206 HydrophobicContact CD2-CG1 3.96Å; L172-I206 HydrophobicContact CG-CG1 4.34Å; L172-I252 CarbonylContact O-C 3.41Å; L172-I252 WeakPolarHBondContact O-CA 3.39Å; L172-H253 HydrophobicContact CB-CB 4.16Å; L172-H253 HydrophobicContact CD1-CB 4.13Å; L172-H253 PolarHBondContact N-O 2.98Å; L172-H253 PolarHBondContact O-N 3.14Å; L172-V255 HydrophobicContact CD1-CB 4.42Å; L172-V255 HydrophobicContact CD1-CG2 3.74Å |
| 173 | L | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 125.9 | 171.1 | -178.1 | 84.8 | 0 | 0 | 0 | 108.9 | M152 Y205 F224 V227 L240 P250 R251 I252 | M152-L173 HydrophobicContact CE-CD2 3.74Å; L173-Y205 HydrophobicContact CB-CD1 4.5Å; L173-Y205 PolarHBondContact N-O 3.47Å; L173-Y205 PolarHBondContact O-N 2.97Å; L173-F224 HydrophobicContact CB-CD1 3.66Å; L173-F224 HydrophobicContact CB-CE1 3.72Å; L173-F224 HydrophobicContact CB-CG 4.31Å; L173-F224 HydrophobicContact CB-CZ 4.4Å; L173-F224 HydrophobicContact CD2-CB 4.27Å; L173-F224 HydrophobicContact CD2-CD1 4.4Å; L173-F224 HydrophobicContact CD2-CG 4.43Å; L173-V227 HydrophobicContact CD2-CB 4.37Å; L173-V227 HydrophobicContact CD2-CG1 4.1Å; L173-V227 HydrophobicContact CD2-CG2 3.7Å; L173-L240 HydrophobicContact CD2-CD1 4.48Å; L173-P250 HydrophobicContact CD1-CB 4.17Å; L173-R251 WeakPolarHBondContact CA-O 3.28Å; L173-I252 HydrophobicContact CD1-CD1 4.38Å; L173-I252 HydrophobicContact CD1-CG1 3.49Å; L173-I252 VanDerWaalsContact CD1-CG1 3.49Å |
| 174 | D | 95.6 | Very high | 96 | Very high | 13 Ų | 13 | 50.9 Ų | 50.9 | 7% | 0.07 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 172.4 | 162.7 | 77.4 | -7.2 | 0 | 0 | 0 | 110.6 | V204 R251 H253 | D174-V204 HydrophobicContact CB-CG1 4.15Å; D174-R251 PolarHBondContact N-O 2.9Å; D174-R251 PolarHBondContact O-N 2.92Å; D174-R251 VanDerWaalsContact OD1-CB 3.28Å; D174-R251 WeakPolarHBondContact OD1-CB 3.27Å; D174-R251 IonicContact OD1-CZ 3.64Å; D174-R251 IonicContact OD1-NE 3.49Å; D174-R251 PolarHBondContact OD1-NE 3.21Å; D174-R251 VanDerWaalsContact OD1-NE 3.14Å; D174-R251 IonicContact OD1-NH2 3.81Å; D174-R251 IonicContact OD2-CZ 3.85Å; D174-R251 IonicContact OD2-NE 3.14Å; D174-R251 IonicContact OD2-NH2 3.58Å; D174-R251 PolarHBondContact OD2-NH2 3.35Å; D174-H253 VanDerWaalsContact CG-NE2 3.3Å; D174-H253 IonicContact OD1-CD2 2.87Å; D174-H253 IonicContact OD1-NE2 2.92Å; D174-H253 PolarHBondContact OD1-NE2 2.85Å; D174-H253 VanDerWaalsContact OD1-NE2 3.17Å; D174-H253 IonicContact OD2-NE2 3.1Å; D174-H253 PolarHBondContact OD2-NE2 3.39Å |
| 175 | V | 95.9 | Very high | 96.1 | Very high | 19 Ų | 19 | 49.8 Ų | 49.8 | 12% | 0.115 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 112.8 | 179.9 | 176.3 | 0 | 0 | 0 | 0 | 107.4 | L240 L242 Y248 F278 | V175-L240 HydrophobicContact CB-CD1 4.44Å; V175-L240 HydrophobicContact CG2-CD1 3.67Å; V175-L242 HydrophobicContact CB-CD2 4.12Å; V175-L242 HydrophobicContact CG1-CD1 4.26Å; V175-L242 HydrophobicContact CG1-CD2 3.71Å; V175-Y248 VanDerWaalsContact CG1-CB 3.45Å; V175-Y248 HydrophobicContact CG1-CD1 3.82Å; V175-Y248 HydrophobicContact CG1-CG 3.83Å; V175-F278 HydrophobicContact CG1-CE1 4.25Å; V175-F278 HydrophobicContact CG1-CZ 3.97Å |
| 176 | I | 95.1 | Very high | 96 | Very high | 27 Ų | 27 | 51.1 Ų | 51.1 | 14% | 0.138 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 142.6 | -176.3 | 57 | 171.2 | 0 | 0 | 0 | 110.9 | Y248 Q249 R272 | I176-Y248 CarbonylContact O-C 3.54Å; I176-Y248 WeakPolarHBondContact O-CA 3.26Å; I176-Q249 HydrophobicContact CG1-CB 4.24Å; I176-Q249 WeakPolarHBondContact CG1-O 3.42Å; I176-Q249 PolarHBondContact N-O 3Å; I176-Q249 PolarHBondContact O-N 3.06Å; I176-R272 VanDerWaalsContact CD1-NH2 3.27Å |
| 177 | P | 96.1 | Very high | 95.7 | Very high | 32 Ų | 32 | 46.3 Ų | 46.3 | 21% | 0.208 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 139.6 | 174.3 | 27 | -33.1 | 0 | 0 | 0 | 110.4 | R199 Y248 | P177-R199 HydrophobicContact CG-CG 4.44Å; P177-R199 VanDerWaalsContact CG-CZ 3.49Å; P177-Y248 HydrophobicContact CB-CD1 4.2Å; P177-Y248 HydrophobicContact CB-CE1 4.08Å |
| 178 | V | 96.6 | Very high | 95.6 | Very high | 61 Ų | 61 | 56.8 Ų | 56.8 | 37% | 0.37 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | -39.9 | -178.4 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | K247 Q249 T277 | V178-K247 HydrophobicContact CB-CB 4.26Å; V178-K247 HydrophobicContact CB-CD 4.22Å; V178-K247 HydrophobicContact CB-CG 3.98Å; V178-K247 HydrophobicContact CG1-CD 4.12Å; V178-K247 HydrophobicContact CG1-CG 4.42Å; V178-K247 HydrophobicContact CG2-CG 4Å; V178-K247 PolarHBondContact N-O 3.22Å; V178-Q249 HydrophobicContact CG2-CB 3.8Å; V178-T277 HydrophobicContact CG2-CG2 4.09Å |
| 179 | D | 95.7 | Very high | 95.5 | Very high | 45 Ų | 45 | 57 Ų | 57 | 24% | 0.241 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 179.3 | -176.5 | 58.1 | 48.2 | 0 | 0 | 0 | 111.3 | A181 Y183 | D179-A181 WeakPolarHBondContact OD1-CB 3.43Å; D179-A181 PolarHBondContact OD1-N 2.68Å; D179-Y183 WeakPolarHBondContact OD1-CE2 3.46Å; D179-Y183 PolarHBondContact OD2-OH 3.28Å |
| 180 | G | 95.6 | Very high | 95.6 | Very high | 56 Ų | 56 | 58.3 Ų | 58.3 | 58% | 0.577 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 27.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A196 | G180-A196 WeakPolarHBondContact O-CB 3.49Å; G180-A196 PolarHBondContact O-N 3.49Å |
| 181 | A | 96.8 | Very high | 95.7 | Very high | 18 Ų | 18 | 59.3 Ų | 59.3 | 15% | 0.149 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 145.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | D179 Y183 P192 G194 H246 | D179-A181 WeakPolarHBondContact OD1-CB 3.43Å; D179-A181 PolarHBondContact OD1-N 2.68Å; A181-Y183 HydrophobicContact CB-CD2 4.45Å; A181-Y183 HydrophobicContact CB-CE2 3.9Å; A181-P192 HydrophobicContact CB-CB 4.34Å; A181-G194 WeakPolarHBondContact CA-O 3.44Å; A181-H246 PolarHBondContact O-CD2 3.48Å |
| 182 | R | 97.4 | Very high | 95.7 | Very high | 124 Ų | 124 | 63.7 Ų | 63.7 | 47% | 0.468 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 135.8 | 163.4 | -176.3 | 178.4 | 173.8 | -156 | -0.6 | 108.4 | S193 G194 M245 | R182-S193 PolarHBondContact O-N 2.99Å; R182-G194 PolarHBondContact N-O 2.8Å; R182-G194 PolarHBondContact O-N 2.88Å; R182-M245 HydrophobicContact CG-CB 4.26Å |
| 183 | Y | 97.9 | Very high | 95.8 | Very high | 33 Ų | 33 | 65.6 Ų | 65.6 | 13% | 0.129 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 157.9 | -172.4 | -73.8 | -94.5 | 0 | 0 | 0 | 113 | D179 A181 W190 E191 P192 M245 K247 I279 | D179-Y183 WeakPolarHBondContact OD1-CE2 3.46Å; D179-Y183 PolarHBondContact OD2-OH 3.28Å; A181-Y183 HydrophobicContact CB-CD2 4.45Å; A181-Y183 HydrophobicContact CB-CE2 3.9Å; Y183-W190 HydrophobicContact CD1-CB 4.26Å; Y183-E191 CarbonylContact C-O 3.54Å; Y183-E191 WeakPolarHBondContact CA-O 3.4Å; Y183-P192 HydrophobicContact CE1-CG 4.2Å; Y183-M245 PolarHBondContact N-O 2.89Å; Y183-M245 WeakPolarHBondContact O-CB 3.41Å; Y183-K247 HydrophobicContact CD2-CB 4.39Å; Y183-K247 HydrophobicContact CE2-CB 3.86Å; Y183-I279 HydrophobicContact CD1-CD1 4.43Å; Y183-I279 HydrophobicContact CG-CD1 4.26Å |
| 184 | R | 97.1 | Very high | 95.7 | Very high | 119 Ų | 119 | 67.5 Ų | 67.5 | 45% | 0.449 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 147.5 | 167.6 | 69.1 | -176.4 | -68.4 | 145.5 | -1.6 | 110.3 | Q186 W190 E191 | R184-Q186 HydrophobicContact CG-CG 4.23Å; R184-W190 VanDerWaalsContact C-CE3 3.48Å; R184-E191 PolarHBondContact N-O 2.86Å; R184-E191 PolarHBondContact O-N 3.16Å |
| 185 | W | 96.5 | Very high | 95.7 | Very high | 40 Ų | 40 | 75.9 Ų | 75.9 | 15% | 0.152 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 130 | 172.5 | -179.4 | -112 | 0 | 0 | 0 | 110.1 | G187 R188 R189 W190 Q285 N286 | W185-G187 VanDerWaalsContact CZ2-C 3.49Å; W185-G187 VanDerWaalsContact CZ2-O 3.25Å; W185-G187 WeakPolarHBondContact CZ2-O 3.24Å; W185-G187 VanDerWaalsContact NE1-CA 3.26Å; W185-R188 VanDerWaalsContact CH2-O 3.26Å; W185-R188 WeakPolarHBondContact CH2-O 3.39Å; W185-R189 VanDerWaalsContact CZ3-C 3.41Å; W185-R189 VanDerWaalsContact CZ3-CA 3.43Å; W185-W190 HydrophobicContact CB-CE3 4.27Å; W185-W190 HydrophobicContact CB-CH2 4.35Å; W185-W190 HydrophobicContact CB-CZ3 4.22Å; W185-W190 AromaticContact CE3-CD1 3.59Å; W185-W190 AromaticContact CE3-CD2 3.87Å; W185-W190 HydrophobicContact CE3-CD2 3.87Å; W185-W190 AromaticContact CE3-CE2 3.82Å; W185-W190 AromaticContact CE3-CG 3.78Å; W185-W190 HydrophobicContact CE3-CG 3.78Å; W185-W190 AromaticContact CE3-NE1 3.57Å; W185-W190 AromaticContact CZ3-CD1 3.59Å; W185-W190 HydrophobicContact CZ3-CG 4.13Å; W185-W190 AromaticContact CZ3-NE1 3.78Å; W185-Q285 HydrophobicContact CB-CB 3.6Å; W185-Q285 HydrophobicContact CB-CG 4.12Å; W185-Q285 HydrophobicContact CD2-CB 4.38Å; W185-Q285 HydrophobicContact CG-CB 3.7Å; W185-Q285 PolarHBondContact NE1-O 3.17Å; W185-N286 HydrophobicContact CH2-CB 3.82Å; W185-N286 WeakPolarHBondContact CH2-ND2 3.37Å; W185-N286 HydrophobicContact CZ2-CB 3.73Å; W185-N286 HydrophobicContact CZ3-CB 4.25Å |
| 186 | Q | 95 | Very high | 95.6 | Very high | 92 Ų | 92 | 76.2 Ų | 76.2 | 43% | 0.43 | 39% | 0.393 | S | S | . | . | trans | -109.7 | 29.8 | -177.6 | -59.8 | -85 | 63.6 | 0 | 0 | 111.8 | R184 R188 R189 E191 | R184-Q186 HydrophobicContact CG-CG 4.23Å; Q186-R188 PolarHBondContact O-N 3.16Å; Q186-R189 PolarHBondContact N-O 3.15Å; Q186-E191 HydrophobicContact CG-CB 4.28Å; Q186-E191 HydrophobicContact CG-CG 4.07Å; Q186-E191 WeakPolarHBondContact CG-OE2 3.26Å; Q186-E191 PolarHBondContact NE2-OE2 2.99Å | ||
| 187 | G | 90.1 | Very high | 95.4 | Very high | 54 Ų | 54 | 78.8 Ų | 78.8 | 56% | 0.557 | 41% | 0.405 | S | S | * | . | S | Bend | trans | 80.9 | -31.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | W185 | W185-G187 VanDerWaalsContact CZ2-C 3.49Å; W185-G187 VanDerWaalsContact CZ2-O 3.25Å; W185-G187 WeakPolarHBondContact CZ2-O 3.24Å; W185-G187 VanDerWaalsContact NE1-CA 3.26Å |
| 188 | R | 90.7 | Very high | 95.1 | Very high | 233 Ų | 233 | 82.4 Ų | 82.4 | 88% | 0.879 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -119.8 | -30.7 | 179 | -67.2 | -171.1 | -179.4 | -156.2 | 0.9 | 115 | W185 Q186 | W185-R188 VanDerWaalsContact CH2-O 3.26Å; W185-R188 WeakPolarHBondContact CH2-O 3.39Å; Q186-R188 PolarHBondContact O-N 3.16Å |
| 189 | R | 94.2 | Very high | 94.4 | Very high | 163 Ų | 163 | 88.5 Ų | 88.5 | 62% | 0.615 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -149.2 | 161 | -176.5 | 68.5 | 179.3 | -177.2 | -172.1 | 1.9 | 111.8 | W185 Q186 E191 | W185-R189 VanDerWaalsContact CZ3-C 3.41Å; W185-R189 VanDerWaalsContact CZ3-CA 3.43Å; Q186-R189 PolarHBondContact N-O 3.15Å; R189-E191 HydrophobicContact CG-CG 4.06Å; R189-E191 IonicContact CZ-OE1 3.14Å; R189-E191 IonicContact NE-OE1 3.94Å; R189-E191 PolarHBondContact NE-OE1 2.63Å; R189-E191 IonicContact NH2-OE1 2.7Å; R189-E191 PolarHBondContact NH2-OE1 2.91Å |
| 190 | W | 96.8 | Very high | 93.7 | Very high | 39 Ų | 39 | 88.2 Ų | 88.2 | 15% | 0.148 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 129.8 | 169.2 | -75.2 | 104.9 | 0 | 0 | 0 | 110.2 | E110 Y183 R184 W185 M245 I279 V281 Q285 | E110-W190 HydrophobicContact CG-CZ2 4.03Å; E110-W190 WeakPolarHBondContact OE1-CZ2 3.35Å; Y183-W190 HydrophobicContact CD1-CB 4.26Å; R184-W190 VanDerWaalsContact C-CE3 3.48Å; W185-W190 HydrophobicContact CB-CE3 4.27Å; W185-W190 HydrophobicContact CB-CH2 4.35Å; W185-W190 HydrophobicContact CB-CZ3 4.22Å; W185-W190 AromaticContact CE3-CD1 3.59Å; W185-W190 AromaticContact CE3-CD2 3.87Å; W185-W190 HydrophobicContact CE3-CD2 3.87Å; W185-W190 AromaticContact CE3-CE2 3.82Å; W185-W190 AromaticContact CE3-CG 3.78Å; W185-W190 HydrophobicContact CE3-CG 3.78Å; W185-W190 AromaticContact CE3-NE1 3.57Å; W185-W190 AromaticContact CZ3-CD1 3.59Å; W185-W190 HydrophobicContact CZ3-CG 4.13Å; W185-W190 AromaticContact CZ3-NE1 3.78Å; W190-M245 HydrophobicContact CH2-CE 3.64Å; W190-M245 HydrophobicContact CH2-SD 4.25Å; W190-M245 HydrophobicContact CZ3-CE 3.46Å; W190-M245 VanDerWaalsContact CZ3-CE 3.46Å; W190-M245 HydrophobicContact CZ3-SD 4.46Å; W190-I279 HydrophobicContact CB-CD1 4.04Å; W190-I279 HydrophobicContact CD2-CD1 3.42Å; W190-I279 VanDerWaalsContact CD2-CD1 3.42Å; W190-I279 HydrophobicContact CE3-CD1 3.84Å; W190-I279 HydrophobicContact CG-CD1 3.52Å; W190-I279 HydrophobicContact CH2-CG2 3.72Å; W190-I279 HydrophobicContact CZ2-CB 4.32Å; W190-I279 HydrophobicContact CZ2-CD1 4.31Å; W190-I279 HydrophobicContact CZ2-CG2 3.99Å; W190-I279 HydrophobicContact CZ3-CD1 4.38Å; W190-I279 HydrophobicContact CZ3-CG2 4.02Å; W190-V281 HydrophobicContact CH2-CG1 3.8Å; W190-V281 HydrophobicContact CZ2-CG1 4.1Å; W190-Q285 HydrophobicContact CH2-CB 4.11Å; W190-Q285 HydrophobicContact CH2-CG 3.63Å; W190-Q285 HydrophobicContact CZ2-CB 3.94Å; W190-Q285 HydrophobicContact CZ2-CG 3.92Å |
| 191 | E | 96.9 | Very high | 93 | Very high | 50 Ų | 50 | 90.6 Ų | 90.6 | 23% | 0.234 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 143.1 | 176.4 | -67.3 | -174 | 165.5 | 0 | 0 | 110.9 | Y183 R184 Q186 R189 S193 | Y183-E191 CarbonylContact C-O 3.54Å; Y183-E191 WeakPolarHBondContact CA-O 3.4Å; R184-E191 PolarHBondContact N-O 2.86Å; R184-E191 PolarHBondContact O-N 3.16Å; Q186-E191 HydrophobicContact CG-CB 4.28Å; Q186-E191 HydrophobicContact CG-CG 4.07Å; Q186-E191 WeakPolarHBondContact CG-OE2 3.26Å; Q186-E191 PolarHBondContact NE2-OE2 2.99Å; R189-E191 HydrophobicContact CG-CG 4.06Å; R189-E191 IonicContact CZ-OE1 3.14Å; R189-E191 IonicContact NE-OE1 3.94Å; R189-E191 PolarHBondContact NE-OE1 2.63Å; R189-E191 IonicContact NH2-OE1 2.7Å; R189-E191 PolarHBondContact NH2-OE1 2.91Å; E191-S193 PolarHBondContact O-N 3.08Å |
| 192 | P | 97.3 | Very high | 92.3 | Very high | 93 Ų | 93 | 96.4 Ų | 96.4 | 60% | 0.604 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 129.5 | 167.8 | -21.1 | 33.3 | 0 | 0 | 0 | 110.4 | A181 Y183 | A181-P192 HydrophobicContact CB-CB 4.34Å; Y183-P192 HydrophobicContact CE1-CG 4.2Å |
| 193 | S | 96.7 | Very high | 92 | Very high | 66 Ų | 66 | 93.9 Ų | 93.9 | 46% | 0.462 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | -9.4 | 179.7 | -171.9 | 0 | 0 | 0 | 0 | 113.3 | R182 E191 | R182-S193 PolarHBondContact O-N 2.99Å; E191-S193 PolarHBondContact O-N 3.08Å |
| 194 | G | 95.4 | Very high | 91.7 | Very high | 40 Ų | 40 | 95.8 Ų | 95.8 | 41% | 0.412 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.2 | -175.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A181 R182 | A181-G194 WeakPolarHBondContact CA-O 3.44Å; R182-G194 PolarHBondContact N-O 2.8Å; R182-G194 PolarHBondContact O-N 2.88Å |
| 195 | K | 96.5 | Very high | 91.7 | Very high | 189 Ų | 189 | 92.2 Ų | 92.2 | 82% | 0.822 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 146.4 | 175.9 | -168.2 | 176.4 | -179.9 | -179.8 | 0 | 110.8 | ||
| 196 | A | 94.3 | Very high | 91.6 | Very high | 26 Ų | 26 | 94.5 Ų | 94.5 | 22% | 0.215 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -63 | 149.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | G180 H246 | G180-A196 WeakPolarHBondContact O-CB 3.49Å; G180-A196 PolarHBondContact O-N 3.49Å; A196-H246 VanDerWaalsContact CA-NE2 3.29Å; A196-H246 WeakPolarHBondContact CA-NE2 3.49Å |
| 197 | E | 90.4 | Very high | 91.7 | Very high | 81 Ų | 81 | 90.8 Ų | 90.8 | 38% | 0.379 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 153.4 | 171 | -71.2 | 175.1 | -139.6 | 0 | 0 | 111 | R199 H243 H246 | E197-R199 PolarHBondContact O-N 2.9Å; E197-H243 HydrophobicContact CB-CB 4.37Å; E197-H243 WeakPolarHBondContact CB-CD2 3.21Å; E197-H243 IonicContact OE2-CD2 3.75Å; E197-H243 IonicContact OE2-CE1 3.52Å; E197-H243 PolarHBondContact OE2-CE1 3.41Å; E197-H243 IonicContact OE2-CG 3.92Å; E197-H243 IonicContact OE2-ND1 3.17Å; E197-H243 PolarHBondContact OE2-ND1 3.21Å; E197-H243 VanDerWaalsContact OE2-ND1 3.1Å; E197-H243 IonicContact OE2-NE2 3.37Å; E197-H246 PolarHBondContact N-NE2 3.42Å; E197-H246 IonicContact OE1-CE1 2.68Å |
| 198 | P | 89.4 | Confident | 92.1 | Very high | 108 Ų | 108 | 91.5 Ų | 91.5 | 70% | 0.701 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 140.4 | 178.1 | -25.6 | 34.4 | 0 | 0 | 0 | 111.6 | L200 H243 | P198-L200 PolarHBondContact O-N 3.46Å; P198-H243 PolarHBondContact O-NE2 3.4Å |
| 199 | R | 82.1 | Confident | 92.4 | Very high | 189 Ų | 189 | 83.8 Ų | 83.8 | 71% | 0.713 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 137.5 | 178.8 | -71.9 | -159.9 | -179.8 | 161 | -1.3 | 110.4 | P177 E197 | P177-R199 HydrophobicContact CG-CG 4.44Å; P177-R199 VanDerWaalsContact CG-CZ 3.49Å; E197-R199 PolarHBondContact O-N 2.9Å |
| 200 | L | 81 | Confident | 92.4 | Very high | 40 Ų | 40 | 77 Ų | 77 | 21% | 0.209 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 161.7 | 175 | -63.2 | 170.6 | 0 | 0 | 0 | 109.5 | P198 D202 T233 I241 | P198-L200 PolarHBondContact O-N 3.46Å; L200-D202 PolarHBondContact O-N 2.92Å; L200-T233 HydrophobicContact CD1-CG2 4.49Å; L200-T233 HydrophobicContact CD2-CG2 3.67Å; L200-I241 HydrophobicContact CD1-CB 3.83Å; L200-I241 HydrophobicContact CD1-CG2 3.37Å |
| 201 | P | 81 | Confident | 92.4 | Very high | 105 Ų | 105 | 78.9 Ų | 78.9 | 68% | 0.682 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -53 | 131.5 | 169.6 | -24.3 | 34.1 | 0 | 0 | 0 | 110.3 | R203 | P201-R203 PolarHBondContact O-N 3.37Š|
| 202 | D | 80.8 | Confident | 92.5 | Very high | 140 Ų | 140 | 77.1 Ų | 77.1 | 75% | 0.749 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 129.6 | 179 | -69.3 | -32.3 | 0 | 0 | 0 | 109.5 | L200 | L200-D202 PolarHBondContact O-N 2.92Š|
| 203 | R | 91.5 | Very high | 92.5 | Very high | 71 Ų | 71 | 74.9 Ų | 74.9 | 27% | 0.268 | 41% | 0.411 | S | S | . | . | trans | -120.5 | 137.5 | 174.5 | -70 | -172 | 175.9 | -160.2 | -3 | 109.2 | P201 D235 H239 L240 I241 | P201-R203 PolarHBondContact O-N 3.37Å; R203-D235 PolarHBondContact NH1-O 2.96Å; R203-D235 VanDerWaalsContact NH1-O 3.07Å; R203-D235 IonicContact NH1-OD2 3.69Å; R203-D235 PolarHBondContact NH1-OD2 2.81Å; R203-D235 PolarHBondContact NH2-O 2.79Å; R203-H239 WeakPolarHBondContact CD-O 3.43Å; R203-H239 PolarHBondContact NH1-O 3.26Å; R203-L240 HydrophobicContact CB-CD2 4.02Å; R203-L240 WeakPolarHBondContact O-CD2 3.47Å; R203-I241 VanDerWaalsContact NE-CD1 3.34Å | ||
| 204 | V | 93.2 | Very high | 92.5 | Very high | 73 Ų | 73 | 71.8 Ų | 71.8 | 44% | 0.442 | 39% | 0.389 | S | S | . | . | trans | -115.3 | 138.2 | 176.7 | -55.1 | 0 | 0 | 0 | 0 | 109.2 | L172 D174 I206 | L172-V204 HydrophobicContact CD2-CB 4.43Å; L172-V204 HydrophobicContact CD2-CG2 4.11Å; D174-V204 HydrophobicContact CB-CG1 4.15Å; V204-I206 HydrophobicContact CG2-CG1 4.49Å | ||
| 205 | Y | 95.6 | Very high | 92.6 | Very high | 44 Ų | 44 | 72 Ų | 72 | 17% | 0.173 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 123.1 | 167.7 | 173.7 | -93.4 | 0 | 0 | 0 | 108.9 | L172 L173 P208 F224 V227 | L172-Y205 CarbonylContact C-O 3.52Å; L172-Y205 WeakPolarHBondContact CA-O 3.36Å; L173-Y205 HydrophobicContact CB-CD1 4.5Å; L173-Y205 PolarHBondContact N-O 3.47Å; L173-Y205 PolarHBondContact O-N 2.97Å; Y205-P208 VanDerWaalsContact OH-CD 3.31Å; Y205-P208 WeakPolarHBondContact OH-CD 3.26Å; Y205-F224 AromaticContact CD1-CD1 3.66Å; Y205-F224 HydrophobicContact CD1-CD1 3.66Å; Y205-F224 HydrophobicContact CD1-CE1 4.13Å; Y205-F224 AromaticContact CE1-CD1 3.73Å; Y205-F224 HydrophobicContact CE1-CD1 3.73Å; Y205-F224 HydrophobicContact CE1-CE1 4.32Å; Y205-V227 HydrophobicContact CD1-CG2 3.45Å; Y205-V227 VanDerWaalsContact CD1-CG2 3.45Å; Y205-V227 HydrophobicContact CD2-CG2 3.93Å; Y205-V227 HydrophobicContact CE1-CG2 3.75Å; Y205-V227 HydrophobicContact CE2-CG2 4.21Å; Y205-V227 HydrophobicContact CG-CG2 3.53Å |
| 206 | I | 95.6 | Very high | 92.7 | Very high | 89 Ų | 89 | 66.3 Ų | 66.3 | 46% | 0.456 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 129.1 | 173.7 | -57.2 | 173.9 | 0 | 0 | 0 | 108.1 | L172 V204 | L172-I206 HydrophobicContact CD2-CG1 3.96Å; L172-I206 HydrophobicContact CG-CG1 4.34Å; V204-I206 HydrophobicContact CG2-CG1 4.49Å |
| 207 | H | 97.1 | Very high | 92.9 | Very high | 14 Ų | 14 | 65.2 Ų | 65.2 | 7% | 0.065 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -62 | 133.7 | 175.6 | -170.6 | -80.6 | 0 | 0 | 0 | 109.5 | F171 D209 S210 W217 S223 F224 | F171-H207 HydrophobicContact CB-CB 3.92Å; F171-H207 WeakPolarHBondContact O-CB 3.16Å; F171-H207 PolarHBondContact O-N 2.86Å; H207-D209 VanDerWaalsContact CE1-CG 3.47Å; H207-D209 IonicContact CE1-OD1 3.73Å; H207-D209 IonicContact CE1-OD2 3.73Å; H207-D209 WeakPolarHBondContact ND1-CB 3.44Å; H207-D209 PolarHBondContact ND1-N 3.2Å; H207-D209 IonicContact ND1-OD1 3.98Å; H207-D209 PolarHBondContact O-N 3.14Å; H207-D209 VanDerWaalsContact O-N 3.15Å; H207-S210 WeakPolarHBondContact O-CB 3.33Å; H207-S210 PolarHBondContact O-N 3.02Å; H207-S210 PolarHBondContact O-OG 3.39Å; H207-W217 HydrophobicContact CB-CH2 4.02Å; H207-W217 AromaticContact CE1-CZ3 3.83Å; H207-W217 AromaticContact CG-CH2 3.79Å; H207-W217 AromaticContact CG-CZ3 3.97Å; H207-W217 AromaticContact ND1-CH2 3.37Å; H207-W217 WeakPolarHBondContact ND1-CH2 3.37Å; H207-W217 AromaticContact ND1-CZ3 3.53Å; H207-S223 PolarHBondContact NE2-O 3.35Å; H207-F224 HydrophobicContact CB-CE1 4.2Å |
| 208 | P | 96.8 | Very high | 93.3 | Very high | 69 Ų | 69 | 64.5 Ų | 64.5 | 45% | 0.448 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -28.5 | -172 | 23.2 | -35.8 | 0 | 0 | 0 | 113.8 | Y205 S210 | Y205-P208 VanDerWaalsContact OH-CD 3.31Å; Y205-P208 WeakPolarHBondContact OH-CD 3.26Å; P208-S210 PolarHBondContact O-N 3.14Å |
| 209 | D | 96.9 | Very high | 93.7 | Very high | 70 Ų | 70 | 68.4 Ų | 68.4 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -4.5 | 175.5 | -57 | 9.9 | 0 | 0 | 0 | 112.8 | H207 P211 A212 H216 W217 | H207-D209 VanDerWaalsContact CE1-CG 3.47Å; H207-D209 IonicContact CE1-OD1 3.73Å; H207-D209 IonicContact CE1-OD2 3.73Å; H207-D209 WeakPolarHBondContact ND1-CB 3.44Å; H207-D209 PolarHBondContact ND1-N 3.2Å; H207-D209 IonicContact ND1-OD1 3.98Å; H207-D209 PolarHBondContact O-N 3.14Å; H207-D209 VanDerWaalsContact O-N 3.15Å; D209-P211 CarbonylContact O-C 3.28Å; D209-P211 VanDerWaalsContact O-C 3.28Å; D209-A212 VanDerWaalsContact O-CB 3.22Å; D209-A212 WeakPolarHBondContact O-CB 3.32Å; D209-A212 PolarHBondContact O-N 2.9Å; D209-H216 IonicContact OD2-CE1 3.4Å; D209-H216 IonicContact OD2-NE2 3.93Å; D209-H216 PolarHBondContact OD2-NE2 3.39Å; D209-H216 VanDerWaalsContact OD2-NE2 3.1Å; D209-W217 HydrophobicContact CB-CH2 3.77Å; D209-W217 HydrophobicContact CB-CZ2 4.42Å; D209-W217 HydrophobicContact CB-CZ3 4.15Å |
| 210 | S | 96.1 | Very high | 94.4 | Very high | 21 Ų | 21 | 64.5 Ų | 64.5 | 15% | 0.147 | 34% | 0.341 | C | S | . | . | trans | -77.9 | 139.9 | 177.5 | -55 | 0 | 0 | 0 | 0 | 111.3 | F171 H207 P208 | F171-S210 PolarHBondContact N-OG 3.47Å; F171-S210 PolarHBondContact O-OG 2.87Å; H207-S210 WeakPolarHBondContact O-CB 3.33Å; H207-S210 PolarHBondContact O-N 3.02Å; H207-S210 PolarHBondContact O-OG 3.39Å; P208-S210 PolarHBondContact O-N 3.14Å | ||
| 211 | P | 96.3 | Very high | 95.2 | Very high | 78 Ų | 78 | 64.4 Ų | 64.4 | 51% | 0.506 | 34% | 0.343 | S | S | . | . | S | Bend | cis | -79.9 | 139.6 | -8.6 | 32.1 | -33.2 | 0 | 0 | 0 | 112.2 | Y169 L170 D209 | Y169-P211 WeakPolarHBondContact O-CA 3.32Å; L170-P211 HydrophobicContact CD1-CB 4.41Å; L170-P211 HydrophobicContact CG-CB 4.25Å; D209-P211 CarbonylContact O-C 3.28Å; D209-P211 VanDerWaalsContact O-C 3.28Å |
| 212 | A | 97.7 | Very high | 96 | Very high | 14 Ų | 14 | 59.7 Ų | 59.7 | 12% | 0.116 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 163.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R168 Y169 D209 H216 W217 | R168-A212 CarbonylContact C-O 3.57Å; R168-A212 WeakPolarHBondContact CA-O 3.42Å; Y169-A212 PolarHBondContact N-O 3.3Å; Y169-A212 PolarHBondContact O-N 3.45Å; D209-A212 VanDerWaalsContact O-CB 3.22Å; D209-A212 WeakPolarHBondContact O-CB 3.32Å; D209-A212 PolarHBondContact O-N 2.9Å; A212-H216 HydrophobicContact CB-CB 4.01Å; A212-H216 WeakPolarHBondContact CB-CD2 3.41Å; A212-W217 HydrophobicContact CB-CZ2 4.01Å; A212-W217 PolarHBondContact O-NE1 2.81Å; A212-W217 VanDerWaalsContact O-NE1 3.09Å |
| 213 | T | 97.8 | Very high | 96.8 | Very high | 46 Ų | 46 | 54.1 Ų | 54.1 | 28% | 0.282 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 156.9 | -177.4 | 59.1 | 0 | 0 | 0 | 0 | 112.4 | P165 A167 R168 A215 H216 W217 | P165-T213 WeakPolarHBondContact O-CB 3.28Å; A167-T213 CarbonylContact O-C 3.58Å; A167-T213 VanDerWaalsContact O-CA 3.24Å; A167-T213 WeakPolarHBondContact O-CA 3.46Å; R168-T213 HydrophobicContact CG-CG2 4.32Å; T213-A215 PolarHBondContact O-N 3.05Å; T213-H216 WeakPolarHBondContact O-CB 3.37Å; T213-H216 PolarHBondContact O-N 2.88Å; T213-H216 VanDerWaalsContact O-N 3.09Å; T213-H216 PolarHBondContact OG1-N 3.3Å; T213-W217 PolarHBondContact O-N 2.87Å; T213-W217 VanDerWaalsContact O-N 3.15Å |
| 214 | G | 97 | Very high | 97 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.2 | -38.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D164 P165 A167 H216 W217 M218 | D164-G214 WeakPolarHBondContact O-CA 3.39Å; P165-G214 PolarHBondContact O-N 3.22Å; A167-G214 PolarHBondContact O-N 3.21Å; G214-H216 VanDerWaalsContact C-N 3.33Å; G214-H216 PolarHBondContact O-N 2.95Å; G214-W217 PolarHBondContact O-N 3.29Å; G214-M218 WeakPolarHBondContact O-CG 3.14Å; G214-M218 PolarHBondContact O-N 3.08Å |
| 215 | A | 98.1 | Very high | 97 | Very high | 46 Ų | 46 | 50.8 Ų | 50.8 | 38% | 0.38 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.5 | -41.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | P165 T213 R219 | P165-A215 HydrophobicContact CB-CB 4.12Å; P165-A215 WeakPolarHBondContact O-CB 3.3Å; P165-A215 PolarHBondContact O-N 3.39Å; T213-A215 PolarHBondContact O-N 3.05Å; A215-R219 PolarHBondContact O-N 3Å |
| 216 | H | 98.3 | Very high | 96.8 | Very high | 68 Ų | 68 | 55.2 Ų | 55.2 | 32% | 0.315 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.2 | -47.6 | 176 | 176.2 | 85.4 | 0 | 0 | 0 | 111.6 | D209 A212 T213 G214 R219 | D209-H216 IonicContact OD2-CE1 3.4Å; D209-H216 IonicContact OD2-NE2 3.93Å; D209-H216 PolarHBondContact OD2-NE2 3.39Å; D209-H216 VanDerWaalsContact OD2-NE2 3.1Å; A212-H216 HydrophobicContact CB-CB 4.01Å; A212-H216 WeakPolarHBondContact CB-CD2 3.41Å; T213-H216 WeakPolarHBondContact O-CB 3.37Å; T213-H216 PolarHBondContact O-N 2.88Å; T213-H216 VanDerWaalsContact O-N 3.09Å; T213-H216 PolarHBondContact OG1-N 3.3Å; G214-H216 VanDerWaalsContact C-N 3.33Å; G214-H216 PolarHBondContact O-N 2.95Å; H216-R219 WeakPolarHBondContact O-CB 3.38Å; H216-R219 PolarHBondContact O-N 3Å |
| 217 | W | 98.1 | Very high | 96.7 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.4 | -35.4 | -177.2 | -66.7 | 120.2 | 0 | 0 | 0 | 113.6 | V160 L163 Y169 F171 H207 D209 A212 T213 G214 R219 V222 | V160-W217 HydrophobicContact CG1-CB 3.96Å; V160-W217 WeakPolarHBondContact CG1-O 3.14Å; L163-W217 HydrophobicContact CD1-CB 3.8Å; L163-W217 HydrophobicContact CD1-CG 4.42Å; Y169-W217 PolarHBondContact O-NE1 3.28Å; Y169-W217 VanDerWaalsContact O-NE1 3.09Å; F171-W217 HydrophobicContact CB-CH2 4Å; F171-W217 HydrophobicContact CB-CZ2 4.28Å; F171-W217 HydrophobicContact CB-CZ3 4.34Å; F171-W217 AromaticContact CD2-CD2 3.51Å; F171-W217 HydrophobicContact CD2-CD2 3.51Å; F171-W217 AromaticContact CD2-CE2 3.58Å; F171-W217 AromaticContact CD2-CE3 3.77Å; F171-W217 HydrophobicContact CD2-CE3 3.77Å; F171-W217 AromaticContact CD2-CG 3.99Å; F171-W217 HydrophobicContact CD2-CG 3.99Å; F171-W217 HydrophobicContact CD2-CH2 4.07Å; F171-W217 AromaticContact CD2-CZ2 3.87Å; F171-W217 HydrophobicContact CD2-CZ2 3.87Å; F171-W217 HydrophobicContact CD2-CZ3 4.04Å; F171-W217 HydrophobicContact CE2-CB 4Å; F171-W217 AromaticContact CE2-CD2 3.67Å; F171-W217 HydrophobicContact CE2-CD2 3.67Å; F171-W217 HydrophobicContact CE2-CE3 4.04Å; F171-W217 AromaticContact CE2-CG 3.67Å; F171-W217 HydrophobicContact CE2-CG 3.67Å; F171-W217 HydrophobicContact CG-CE3 4.43Å; F171-W217 HydrophobicContact CG-CH2 4.38Å; F171-W217 HydrophobicContact CG-CZ3 4.35Å; H207-W217 HydrophobicContact CB-CH2 4.02Å; H207-W217 AromaticContact CE1-CZ3 3.83Å; H207-W217 AromaticContact CG-CH2 3.79Å; H207-W217 AromaticContact CG-CZ3 3.97Å; H207-W217 AromaticContact ND1-CH2 3.37Å; H207-W217 WeakPolarHBondContact ND1-CH2 3.37Å; H207-W217 AromaticContact ND1-CZ3 3.53Å; D209-W217 HydrophobicContact CB-CH2 3.77Å; D209-W217 HydrophobicContact CB-CZ2 4.42Å; D209-W217 HydrophobicContact CB-CZ3 4.15Å; A212-W217 HydrophobicContact CB-CZ2 4.01Å; A212-W217 PolarHBondContact O-NE1 2.81Å; A212-W217 VanDerWaalsContact O-NE1 3.09Å; T213-W217 PolarHBondContact O-N 2.87Å; T213-W217 VanDerWaalsContact O-N 3.15Å; G214-W217 PolarHBondContact O-N 3.29Å; W217-R219 VanDerWaalsContact C-N 3.3Å; W217-V222 HydrophobicContact CE3-CB 4.46Å; W217-V222 HydrophobicContact CE3-CG1 4.11Å; W217-V222 HydrophobicContact CE3-CG2 3.54Å; W217-V222 HydrophobicContact CZ3-CG1 3.72Å; W217-V222 HydrophobicContact CZ3-CG2 4.05Å |
| 218 | M | 97.9 | Very high | 96.5 | Very high | 65 Ų | 65 | 53.4 Ų | 53.4 | 32% | 0.32 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -79.9 | -9.9 | 178.6 | -64.2 | -171 | -67.4 | 0 | 0 | 113.2 | V160 G162 L163 P165 G214 | V160-M218 HydrophobicContact CG1-CG 4.22Å; V160-M218 WeakPolarHBondContact O-CG 3.31Å; G162-M218 PolarHBondContact N-SD 2.94Å; L163-M218 HydrophobicContact CB-CE 4Å; L163-M218 HydrophobicContact CB-CG 4.25Å; L163-M218 HydrophobicContact CB-SD 3.89Å; L163-M218 HydrophobicContact CD1-CG 4.18Å; L163-M218 HydrophobicContact CG-CG 4.22Å; L163-M218 HydrophobicContact CG-SD 4.28Å; L163-M218 PolarHBondContact N-SD 2.54Å; L163-M218 VanDerWaalsContact N-SD 3.42Å; L163-M218 WeakPolarHBondContact O-CE 3.41Å; P165-M218 HydrophobicContact CG-CE 4.37Å; G214-M218 WeakPolarHBondContact O-CG 3.14Å; G214-M218 PolarHBondContact O-N 3.08Å |
| 219 | R | 97.8 | Very high | 96.3 | Very high | 190 Ų | 190 | 50.2 Ų | 50.2 | 72% | 0.717 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -36.5 | -178.8 | -178.3 | -178.8 | 179 | -81.3 | -1.8 | 113.4 | A215 H216 W217 | A215-R219 PolarHBondContact O-N 3Å; H216-R219 WeakPolarHBondContact O-CB 3.38Å; H216-R219 PolarHBondContact O-N 3Å; W217-R219 VanDerWaalsContact C-N 3.3Å |
| 220 | Q | 97.1 | Very high | 96 | Very high | 107 Ų | 107 | 46.9 Ų | 46.9 | 50% | 0.5 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -157 | 160.1 | -176.7 | 66.2 | -176.7 | -1.9 | 0 | 0 | 110.9 | V222 | Q220-V222 PolarHBondContact O-N 3.22Š|
| 221 | P | 98.1 | Very high | 95.8 | Very high | 39 Ų | 39 | 48.4 Ų | 48.4 | 25% | 0.253 | 24% | 0.24 | S | C | . | . | trans | -61.1 | 130.2 | -179.3 | -18.8 | 27.5 | 0 | 0 | 0 | 113.1 | E96 V158 S159 | E96-P221 HydrophobicContact CG-CB 3.68Å; E96-P221 HydrophobicContact CG-CG 4.07Å; V158-P221 CarbonylContact O-C 3.5Å; V158-P221 WeakPolarHBondContact O-CA 3.5Å; S159-P221 WeakPolarHBondContact OG-CG 3.22Å | ||
| 222 | V | 98.1 | Very high | 95.4 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 4% | 0.036 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 130.3 | 176.8 | -173.9 | 0 | 0 | 0 | 0 | 109.7 | R157 V158 F171 W217 Q220 F224 | R157-V222 CarbonylContact C-O 3.47Å; R157-V222 WeakPolarHBondContact CA-O 3.5Å; V158-V222 HydrophobicContact CG2-CB 4.06Å; V158-V222 PolarHBondContact N-O 3.11Å; V158-V222 PolarHBondContact O-N 2.89Å; F171-V222 HydrophobicContact CB-CG1 4.44Å; F171-V222 HydrophobicContact CD1-CG1 4.07Å; F171-V222 HydrophobicContact CE1-CG2 4.23Å; F171-V222 HydrophobicContact CE2-CG2 4.41Å; F171-V222 HydrophobicContact CG-CG1 4.2Å; F171-V222 HydrophobicContact CZ-CG2 4.18Å; W217-V222 HydrophobicContact CE3-CB 4.46Å; W217-V222 HydrophobicContact CE3-CG1 4.11Å; W217-V222 HydrophobicContact CE3-CG2 3.54Å; W217-V222 HydrophobicContact CZ3-CG1 3.72Å; W217-V222 HydrophobicContact CZ3-CG2 4.05Å; Q220-V222 PolarHBondContact O-N 3.22Å; V222-F224 HydrophobicContact CG1-CE2 4.07Å; V222-F224 HydrophobicContact CG1-CZ 4.31Å |
| 223 | S | 97.3 | Very high | 94.9 | Very high | 22 Ų | 22 | 48.9 Ų | 48.9 | 15% | 0.154 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 119.6 | -172.6 | -176.9 | 0 | 0 | 0 | 0 | 113.8 | H207 H225 | H207-S223 PolarHBondContact NE2-O 3.35Å; S223-H225 VanDerWaalsContact C-N 3.27Å; S223-H225 PolarHBondContact O-N 2.72Å; S223-H225 PolarHBondContact OG-N 3.27Å; S223-H225 PolarHBondContact OG-ND1 2.88Å |
| 224 | F | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -91 | 27.8 | 174.7 | -63.5 | -86.7 | 0 | 0 | 0 | 113 | C156 V158 F171 L173 Y205 H207 V222 R226 V227 I252 | C156-F224 HydrophobicContact CB-CB 4.25Å; C156-F224 HydrophobicContact CB-CD2 4.48Å; C156-F224 WeakPolarHBondContact O-CB 3.27Å; C156-F224 PolarHBondContact O-N 3.23Å; V158-F224 HydrophobicContact CG2-CE2 4.35Å; F171-F224 HydrophobicContact CB-CZ 4.07Å; F171-F224 HydrophobicContact CD1-CE2 4.44Å; F171-F224 HydrophobicContact CD1-CZ 4.08Å; L173-F224 HydrophobicContact CB-CD1 3.66Å; L173-F224 HydrophobicContact CB-CE1 3.72Å; L173-F224 HydrophobicContact CB-CG 4.31Å; L173-F224 HydrophobicContact CB-CZ 4.4Å; L173-F224 HydrophobicContact CD2-CB 4.27Å; L173-F224 HydrophobicContact CD2-CD1 4.4Å; L173-F224 HydrophobicContact CD2-CG 4.43Å; Y205-F224 AromaticContact CD1-CD1 3.66Å; Y205-F224 HydrophobicContact CD1-CD1 3.66Å; Y205-F224 HydrophobicContact CD1-CE1 4.13Å; Y205-F224 AromaticContact CE1-CD1 3.73Å; Y205-F224 HydrophobicContact CE1-CD1 3.73Å; Y205-F224 HydrophobicContact CE1-CE1 4.32Å; H207-F224 HydrophobicContact CB-CE1 4.2Å; V222-F224 HydrophobicContact CG1-CE2 4.07Å; V222-F224 HydrophobicContact CG1-CZ 4.31Å; F224-R226 PolarHBondContact O-N 2.84Å; F224-R226 VanDerWaalsContact O-N 3.13Å; F224-V227 HydrophobicContact CB-CG2 3.88Å; F224-V227 HydrophobicContact CD1-CG2 4.37Å; F224-V227 WeakPolarHBondContact O-CB 3.17Å; F224-V227 VanDerWaalsContact O-CG2 3.3Å; F224-V227 WeakPolarHBondContact O-CG2 3.34Å; F224-V227 PolarHBondContact O-N 3.35Å; F224-V227 VanDerWaalsContact O-N 3.12Å; F224-I252 HydrophobicContact CD2-CD1 4.28Å; F224-I252 HydrophobicContact CE2-CD1 3.92Å; F224-I252 HydrophobicContact CE2-CG1 4.1Å; F224-I252 HydrophobicContact CE2-CG2 4.17Å; F224-I252 HydrophobicContact CZ-CG1 4.48Å; F224-I252 HydrophobicContact CZ-CG2 4.13Å | ||
| 225 | H | 92.3 | Very high | 93.8 | Very high | 75 Ų | 75 | 53.9 Ų | 53.9 | 35% | 0.347 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -17.9 | -176.7 | 70.3 | -83.5 | 0 | 0 | 0 | 114.2 | R151 A155 S223 | R151-H225 VanDerWaalsContact CD-O 3.24Å; R151-H225 WeakPolarHBondContact CD-O 3.45Å; R151-H225 WeakPolarHBondContact CG-O 3.21Å; A155-H225 HydrophobicContact CB-CB 3.85Å; S223-H225 VanDerWaalsContact C-N 3.27Å; S223-H225 PolarHBondContact O-N 2.72Å; S223-H225 PolarHBondContact OG-N 3.27Å; S223-H225 PolarHBondContact OG-ND1 2.88Å |
| 226 | R | 92.3 | Very high | 93.3 | Very high | 137 Ų | 137 | 56.9 Ų | 56.9 | 52% | 0.517 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -8.7 | 178.5 | -62.8 | -175.1 | 176.3 | 179 | -2.3 | 113.3 | F224 K228 | F224-R226 PolarHBondContact O-N 2.84Å; F224-R226 VanDerWaalsContact O-N 3.13Å; R226-K228 PolarHBondContact O-N 2.87Å |
| 227 | V | 93.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | trans | -59 | 132.7 | 175.2 | 173.4 | 0 | 0 | 0 | 0 | 109.5 | R151 M152 L173 Y205 F224 L229 L240 | R151-V227 WeakPolarHBondContact CA-O 3.37Å; M152-V227 HydrophobicContact CE-CB 3.98Å; M152-V227 HydrophobicContact CE-CG1 3.9Å; M152-V227 HydrophobicContact CE-CG2 4.49Å; L173-V227 HydrophobicContact CD2-CB 4.37Å; L173-V227 HydrophobicContact CD2-CG1 4.1Å; L173-V227 HydrophobicContact CD2-CG2 3.7Å; Y205-V227 HydrophobicContact CD1-CG2 3.45Å; Y205-V227 VanDerWaalsContact CD1-CG2 3.45Å; Y205-V227 HydrophobicContact CD2-CG2 3.93Å; Y205-V227 HydrophobicContact CE1-CG2 3.75Å; Y205-V227 HydrophobicContact CE2-CG2 4.21Å; Y205-V227 HydrophobicContact CG-CG2 3.53Å; F224-V227 HydrophobicContact CB-CG2 3.88Å; F224-V227 HydrophobicContact CD1-CG2 4.37Å; F224-V227 WeakPolarHBondContact O-CB 3.17Å; F224-V227 VanDerWaalsContact O-CG2 3.3Å; F224-V227 WeakPolarHBondContact O-CG2 3.34Å; F224-V227 PolarHBondContact O-N 3.35Å; F224-V227 VanDerWaalsContact O-N 3.12Å; V227-L229 HydrophobicContact CG1-CD2 4.16Å; V227-L240 HydrophobicContact CG1-CD1 3.63Å; V227-L240 HydrophobicContact CG1-CG 4.23Å | ||
| 228 | K | 92.6 | Very high | 92 | Very high | 64 Ų | 64 | 61.9 Ų | 61.9 | 28% | 0.278 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 139.2 | 179.1 | -74.7 | 167.1 | 172 | -179.1 | 0 | 109.2 | H149 R151 R226 H239 L240 | H149-K228 HydrophobicContact CB-CB 4.08Å; H149-K228 HydrophobicContact CB-CD 3.55Å; H149-K228 HydrophobicContact CB-CG 3.82Å; R151-K228 HydrophobicContact CG-CG 4.47Å; R226-K228 PolarHBondContact O-N 2.87Å; K228-H239 HydrophobicContact CB-CB 4.4Å; K228-H239 WeakPolarHBondContact CD-NE2 3.33Å; K228-L240 PolarHBondContact O-N 3.03Å; K228-L240 VanDerWaalsContact O-N 3.16Å |
| 229 | L | 92.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 135.6 | 178.2 | -50.9 | -179.4 | 0 | 0 | 0 | 109.5 | M111 I113 R150 M152 V227 L240 L242 F278 | M111-L229 HydrophobicContact CB-CD1 3.85Å; M111-L229 HydrophobicContact CG-CD1 4.45Å; I113-L229 HydrophobicContact CB-CB 4.48Å; I113-L229 HydrophobicContact CG2-CB 3.71Å; I113-L229 HydrophobicContact CG2-CD1 4.37Å; R150-L229 PolarHBondContact O-N 3.41Å; M152-L229 HydrophobicContact CG-CD1 3.81Å; M152-L229 HydrophobicContact CG-CD2 4.39Å; M152-L229 HydrophobicContact CG-CG 4.1Å; M152-L229 HydrophobicContact SD-CD1 4.45Å; V227-L229 HydrophobicContact CG1-CD2 4.16Å; L229-L240 WeakPolarHBondContact CA-O 3.35Å; L229-L240 HydrophobicContact CD2-CB 3.98Å; L229-L240 HydrophobicContact CD2-CD1 4.23Å; L229-L242 HydrophobicContact CB-CD1 4.38Å; L229-L242 HydrophobicContact CD1-CD1 4.01Å; L229-L242 HydrophobicContact CD2-CD1 3.95Å; L229-L242 HydrophobicContact CG-CD1 4.33Å; L229-F278 HydrophobicContact CD1-CE2 4.22Å; L229-F278 HydrophobicContact CD1-CZ 4.1Å |
| 230 | T | 91.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 152.6 | -178.6 | -175.2 | 0 | 0 | 0 | 0 | 110.6 | T114 S232 D235 H239 L240 I241 L242 | T114-T230 VanDerWaalsContact O-CA 3.32Å; T114-T230 WeakPolarHBondContact O-CA 3.44Å; T114-T230 PolarHBondContact O-OG1 3.39Å; T114-T230 VanDerWaalsContact O-OG1 3.11Å; T230-S232 WeakPolarHBondContact OG1-CB 3.5Å; T230-S232 PolarHBondContact OG1-N 2.59Å; T230-S232 VanDerWaalsContact OG1-N 3.09Å; T230-D235 HydrophobicContact CG2-CB 3.9Å; T230-H239 HydrophobicContact CG2-CB 3.76Å; T230-L240 PolarHBondContact N-O 3.15Å; T230-I241 HydrophobicContact CG2-CB 4.16Å; T230-I241 HydrophobicContact CG2-CG1 3.71Å; T230-I241 HydrophobicContact CG2-CG2 4.32Å; T230-I241 WeakPolarHBondContact O-CA 3.44Å; T230-L242 PolarHBondContact O-N 2.55Å |
| 231 | N | 90.8 | Very high | 91.3 | Very high | 54 Ų | 54 | 46.8 Ų | 46.8 | 29% | 0.289 | 25% | 0.254 | S | S | . | . | trans | -101.2 | 4.9 | 166.9 | 74.3 | -9.6 | 0 | 0 | 0 | 112.6 | I113 T114 K115 T233 | I113-N231 HydrophobicContact CD1-CB 3.6Å; I113-N231 HydrophobicContact CG1-CB 3.99Å; T114-N231 PolarHBondContact O-N 2.93Å; T114-N231 PolarHBondContact O-OD1 2.76Å; K115-N231 WeakPolarHBondContact CA-OD1 3.22Å; K115-N231 VanDerWaalsContact CB-OD1 3.27Å; K115-N231 WeakPolarHBondContact CB-OD1 3.46Å; K115-N231 PolarHBondContact N-OD1 3.47Å; K115-N231 VanDerWaalsContact N-OD1 3.17Å; N231-T233 PolarHBondContact O-N 3.48Å | ||
| 232 | S | 88.9 | Confident | 91.1 | Very high | 23 Ų | 23 | 45.2 Ų | 45.2 | 16% | 0.161 | 24% | 0.243 | C | C | . | . | trans | -82.5 | 109.6 | 178 | -171.7 | 0 | 0 | 0 | 0 | 110 | T230 L234 D235 I241 | T230-S232 WeakPolarHBondContact OG1-CB 3.5Å; T230-S232 PolarHBondContact OG1-N 2.59Å; T230-S232 VanDerWaalsContact OG1-N 3.09Å; S232-L234 PolarHBondContact O-N 2.78Å; S232-D235 WeakPolarHBondContact O-CB 3.41Å; S232-D235 PolarHBondContact O-N 2.99Å; S232-I241 WeakPolarHBondContact O-CD1 3.36Å; S232-I241 WeakPolarHBondContact O-CG1 3.43Å; S232-I241 WeakPolarHBondContact O-CG2 3.41Å | ||
| 233 | T | 87.3 | Confident | 91 | Very high | 78 Ų | 78 | 46 Ų | 46 | 48% | 0.479 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -21.6 | 178.5 | 55.3 | 0 | 0 | 0 | 0 | 113.3 | L200 N231 I241 | L200-T233 HydrophobicContact CD1-CG2 4.49Å; L200-T233 HydrophobicContact CD2-CG2 3.67Å; N231-T233 PolarHBondContact O-N 3.48Å; T233-I241 WeakPolarHBondContact O-CD1 3.42Å |
| 234 | L | 85.9 | Confident | 90.9 | Very high | 150 Ų | 150 | 46.1 Ų | 46.1 | 79% | 0.785 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | 25.3 | 178.9 | -57.5 | 177.1 | 0 | 0 | 0 | 112.1 | S232 P236 | S232-L234 PolarHBondContact O-N 2.78Å; L234-P236 VanDerWaalsContact O-CD 3.29Å; L234-P236 WeakPolarHBondContact O-CD 3.29Å |
| 235 | D | 86.3 | Confident | 90.9 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.011 | 25% | 0.254 | C | S | . | . | trans | -59.4 | 118.3 | 179.5 | 174.2 | 86.1 | 0 | 0 | 0 | 111.4 | R203 T230 S232 H237 G238 H239 I241 | R203-D235 PolarHBondContact NH1-O 2.96Å; R203-D235 VanDerWaalsContact NH1-O 3.07Å; R203-D235 IonicContact NH1-OD2 3.69Å; R203-D235 PolarHBondContact NH1-OD2 2.81Å; R203-D235 PolarHBondContact NH2-O 2.79Å; T230-D235 HydrophobicContact CG2-CB 3.9Å; S232-D235 WeakPolarHBondContact O-CB 3.41Å; S232-D235 PolarHBondContact O-N 2.99Å; D235-H237 VanDerWaalsContact C-N 3.31Å; D235-H237 IonicContact OD1-CD2 3.05Å; D235-H237 PolarHBondContact OD2-N 3.11Å; D235-H237 VanDerWaalsContact OD2-N 3.14Å; D235-G238 PolarHBondContact OD2-N 3Å; D235-H239 IonicContact OD1-CE1 3.37Å; D235-H239 IonicContact OD1-CG 3.74Å; D235-H239 IonicContact OD1-ND1 2.67Å; D235-H239 PolarHBondContact OD1-ND1 2.82Å; D235-H239 IonicContact OD2-CG 3.57Å; D235-H239 PolarHBondContact OD2-N 2.86Å; D235-H239 IonicContact OD2-ND1 3.1Å; D235-I241 HydrophobicContact CB-CD1 4.4Å; D235-I241 HydrophobicContact CB-CG1 4.31Å | ||
| 236 | P | 86.3 | Confident | 91.1 | Very high | 109 Ų | 109 | 44.2 Ų | 44.2 | 71% | 0.708 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -9.5 | -178.7 | 34.2 | -35.7 | 0 | 0 | 0 | 112.8 | L234 | L234-P236 VanDerWaalsContact O-CD 3.29Å; L234-P236 WeakPolarHBondContact O-CD 3.29Å |
| 237 | H | 85.1 | Confident | 91.4 | Very high | 130 Ų | 130 | 41 Ų | 41 | 60% | 0.602 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93 | 4 | -170.2 | -62.8 | -59.4 | 0 | 0 | 0 | 113.9 | D235 H239 | D235-H237 VanDerWaalsContact C-N 3.31Å; D235-H237 IonicContact OD1-CD2 3.05Å; D235-H237 PolarHBondContact OD2-N 3.11Å; D235-H237 VanDerWaalsContact OD2-N 3.14Å; H237-H239 VanDerWaalsContact C-N 3.26Å; H237-H239 WeakPolarHBondContact CB-CE1 3.34Å; H237-H239 AromaticContact CG-CE1 3.95Å; H237-H239 PolarHBondContact O-N 2.87Å |
| 238 | G | 85.5 | Confident | 91.6 | Very high | 46 Ų | 46 | 41.7 Ų | 41.7 | 47% | 0.474 | 23% | 0.231 | S | C | . | . | trans | 68.8 | 21.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | D235 | D235-G238 PolarHBondContact OD2-N 3Š| ||
| 239 | H | 91.5 | Very high | 91.8 | Very high | 22 Ų | 22 | 39.1 Ų | 39.1 | 10% | 0.102 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -67.9 | 156.7 | 173.1 | -57.9 | 132.8 | 0 | 0 | 0 | 110.7 | H149 R203 K228 T230 D235 H237 I241 | H149-H239 AromaticContact CD2-CE1 3.33Å; H149-H239 PolarHBondContact CD2-CE1 2.83Å; H149-H239 AromaticContact CD2-ND1 3.36Å; H149-H239 PolarHBondContact CD2-ND1 3.18Å; H149-H239 AromaticContact CE1-CE1 3.58Å; H149-H239 AromaticContact CG-CE1 3.63Å; H149-H239 AromaticContact ND1-CE1 3.78Å; H149-H239 AromaticContact NE2-CE1 3.3Å; H149-H239 PolarHBondContact NE2-CE1 3.35Å; H149-H239 VanDerWaalsContact NE2-CE1 3.3Å; H149-H239 AromaticContact NE2-ND1 3.47Å; H149-H239 PolarHBondContact NE2-ND1 3.02Å; R203-H239 WeakPolarHBondContact CD-O 3.43Å; R203-H239 PolarHBondContact NH1-O 3.26Å; K228-H239 HydrophobicContact CB-CB 4.4Å; K228-H239 WeakPolarHBondContact CD-NE2 3.33Å; T230-H239 HydrophobicContact CG2-CB 3.76Å; D235-H239 IonicContact OD1-CE1 3.37Å; D235-H239 IonicContact OD1-CG 3.74Å; D235-H239 IonicContact OD1-ND1 2.67Å; D235-H239 PolarHBondContact OD1-ND1 2.82Å; D235-H239 IonicContact OD2-CG 3.57Å; D235-H239 PolarHBondContact OD2-N 2.86Å; D235-H239 IonicContact OD2-ND1 3.1Å; H237-H239 VanDerWaalsContact C-N 3.26Å; H237-H239 WeakPolarHBondContact CB-CE1 3.34Å; H237-H239 AromaticContact CG-CE1 3.95Å; H237-H239 PolarHBondContact O-N 2.87Å; H239-I241 PolarHBondContact O-N 3.44Å |
| 240 | L | 93.3 | Very high | 92.1 | Very high | 6 Ų | 6 | 39.3 Ų | 39.3 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 116.1 | 176.4 | -57.9 | -174.9 | 0 | 0 | 0 | 108.9 | L173 V175 R203 V227 K228 L229 T230 | L173-L240 HydrophobicContact CD2-CD1 4.48Å; V175-L240 HydrophobicContact CB-CD1 4.44Å; V175-L240 HydrophobicContact CG2-CD1 3.67Å; R203-L240 HydrophobicContact CB-CD2 4.02Å; R203-L240 WeakPolarHBondContact O-CD2 3.47Å; V227-L240 HydrophobicContact CG1-CD1 3.63Å; V227-L240 HydrophobicContact CG1-CG 4.23Å; K228-L240 PolarHBondContact O-N 3.03Å; K228-L240 VanDerWaalsContact O-N 3.16Å; L229-L240 WeakPolarHBondContact CA-O 3.35Å; L229-L240 HydrophobicContact CD2-CB 3.98Å; L229-L240 HydrophobicContact CD2-CD1 4.23Å; T230-L240 PolarHBondContact N-O 3.15Å |
| 241 | I | 93 | Very high | 92.3 | Very high | 18 Ų | 18 | 42 Ų | 42 | 9% | 0.092 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 125.4 | -178.1 | -48.2 | 166.9 | 0 | 0 | 0 | 108.9 | L200 R203 T230 S232 T233 D235 H239 | L200-I241 HydrophobicContact CD1-CB 3.83Å; L200-I241 HydrophobicContact CD1-CG2 3.37Å; R203-I241 VanDerWaalsContact NE-CD1 3.34Å; T230-I241 HydrophobicContact CG2-CB 4.16Å; T230-I241 HydrophobicContact CG2-CG1 3.71Å; T230-I241 HydrophobicContact CG2-CG2 4.32Å; T230-I241 WeakPolarHBondContact O-CA 3.44Å; S232-I241 WeakPolarHBondContact O-CD1 3.36Å; S232-I241 WeakPolarHBondContact O-CG1 3.43Å; S232-I241 WeakPolarHBondContact O-CG2 3.41Å; T233-I241 WeakPolarHBondContact O-CD1 3.42Å; D235-I241 HydrophobicContact CB-CD1 4.4Å; D235-I241 HydrophobicContact CB-CG1 4.31Å; H239-I241 PolarHBondContact O-N 3.44Å |
| 242 | L | 94.3 | Very high | 92.6 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | trans | -129.3 | 143.2 | 178.2 | -53.5 | 177.9 | 0 | 0 | 0 | 109.7 | I113 V175 L229 T230 Y248 F278 | I113-L242 WeakPolarHBondContact CD1-O 3.38Å; I113-L242 HydrophobicContact CG2-CB 4.5Å; I113-L242 HydrophobicContact CG2-CD1 4.42Å; V175-L242 HydrophobicContact CB-CD2 4.12Å; V175-L242 HydrophobicContact CG1-CD1 4.26Å; V175-L242 HydrophobicContact CG1-CD2 3.71Å; L229-L242 HydrophobicContact CB-CD1 4.38Å; L229-L242 HydrophobicContact CD1-CD1 4.01Å; L229-L242 HydrophobicContact CD2-CD1 3.95Å; L229-L242 HydrophobicContact CG-CD1 4.33Å; T230-L242 PolarHBondContact O-N 2.55Å; L242-Y248 HydrophobicContact CB-CE1 4.5Å; L242-Y248 HydrophobicContact CB-CE2 3.95Å; L242-Y248 HydrophobicContact CD1-CD2 4.29Å; L242-Y248 HydrophobicContact CD1-CE2 4.42Å; L242-Y248 HydrophobicContact CD2-CD1 3.81Å; L242-Y248 HydrophobicContact CD2-CD2 4.45Å; L242-Y248 HydrophobicContact CD2-CE1 3.65Å; L242-Y248 HydrophobicContact CD2-CE2 4.3Å; L242-Y248 HydrophobicContact CD2-CG 4.22Å; L242-Y248 HydrophobicContact CG-CE2 4.46Å; L242-F278 HydrophobicContact CD1-CE2 3.88Å; L242-F278 HydrophobicContact CD1-CZ 3.81Å | ||
| 243 | H | 94.3 | Very high | 92.9 | Very high | 23 Ų | 23 | 39.2 Ų | 39.2 | 11% | 0.106 | 21% | 0.214 | C | C | . | . | trans | -74.1 | 139.2 | 165.5 | -64 | -47 | 0 | 0 | 0 | 110.1 | E197 P198 H246 Y248 S280 | E197-H243 HydrophobicContact CB-CB 4.37Å; E197-H243 WeakPolarHBondContact CB-CD2 3.21Å; E197-H243 IonicContact OE2-CD2 3.75Å; E197-H243 IonicContact OE2-CE1 3.52Å; E197-H243 PolarHBondContact OE2-CE1 3.41Å; E197-H243 IonicContact OE2-CG 3.92Å; E197-H243 IonicContact OE2-ND1 3.17Å; E197-H243 PolarHBondContact OE2-ND1 3.21Å; E197-H243 VanDerWaalsContact OE2-ND1 3.1Å; E197-H243 IonicContact OE2-NE2 3.37Å; P198-H243 PolarHBondContact O-NE2 3.4Å; H243-H246 WeakPolarHBondContact CB-ND1 3.49Å; H243-Y248 PolarHBondContact N-OH 3.49Å; H243-Y248 WeakPolarHBondContact O-CE2 3.42Å; H243-Y248 PolarHBondContact O-OH 2.72Å; H243-S280 PolarHBondContact O-OG 2.87Å | ||
| 244 | S | 95.1 | Very high | 93.2 | Very high | 24 Ų | 24 | 35.5 Ų | 35.5 | 17% | 0.168 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 152.3 | 175.7 | -167.8 | 0 | 0 | 0 | 0 | 110.7 | H246 S280 T282 | S244-H246 VanDerWaalsContact C-N 3.27Å; S244-H246 PolarHBondContact O-CE1 2.98Å; S244-H246 PolarHBondContact O-N 3.44Å; S244-H246 PolarHBondContact O-ND1 3.07Å; S244-S280 WeakPolarHBondContact CA-OG 3.43Å; S244-T282 PolarHBondContact OG-N 2.8Å |
| 245 | M | 96.6 | Very high | 93.5 | Very high | 28 Ų | 28 | 29.3 Ų | 29.3 | 14% | 0.138 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 30 | 176.4 | -45 | -56.8 | -77.6 | 0 | 0 | 113.7 | R182 Y183 W190 S280 V281 Q285 | R182-M245 HydrophobicContact CG-CB 4.26Å; Y183-M245 PolarHBondContact N-O 2.89Å; Y183-M245 WeakPolarHBondContact O-CB 3.41Å; W190-M245 HydrophobicContact CH2-CE 3.64Å; W190-M245 HydrophobicContact CH2-SD 4.25Å; W190-M245 HydrophobicContact CZ3-CE 3.46Å; W190-M245 VanDerWaalsContact CZ3-CE 3.46Å; W190-M245 HydrophobicContact CZ3-SD 4.46Å; M245-S280 WeakPolarHBondContact CA-O 3.45Å; M245-S280 PolarHBondContact N-O 2.8Å; M245-S280 PolarHBondContact N-OG 2.82Å; M245-V281 HydrophobicContact SD-CB 4.5Å; M245-V281 HydrophobicContact SD-CG1 3.97Å; M245-Q285 HydrophobicContact CE-CG 4.28Å |
| 246 | H | 97.4 | Very high | 93.7 | Very high | 7 Ų | 7 | 33.4 Ų | 33.4 | 3% | 0.032 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 151.4 | 176.3 | -67.4 | 79.4 | 0 | 0 | 0 | 109.8 | A181 A196 E197 H243 S244 Y248 I279 S280 | A181-H246 PolarHBondContact O-CD2 3.48Å; A196-H246 VanDerWaalsContact CA-NE2 3.29Å; A196-H246 WeakPolarHBondContact CA-NE2 3.49Å; E197-H246 PolarHBondContact N-NE2 3.42Å; E197-H246 IonicContact OE1-CE1 2.68Å; H243-H246 WeakPolarHBondContact CB-ND1 3.49Å; S244-H246 VanDerWaalsContact C-N 3.27Å; S244-H246 PolarHBondContact O-CE1 2.98Å; S244-H246 PolarHBondContact O-N 3.44Å; S244-H246 PolarHBondContact O-ND1 3.07Å; H246-Y248 HydrophobicContact CB-CD2 4.41Å; H246-Y248 HydrophobicContact CB-CE2 3.54Å; H246-Y248 VanDerWaalsContact O-CD2 3.22Å; H246-Y248 WeakPolarHBondContact O-CD2 3.33Å; H246-Y248 WeakPolarHBondContact O-CE2 3.43Å; H246-I279 WeakPolarHBondContact O-CA 3.32Å; H246-S280 PolarHBondContact O-N 2.76Å; H246-S280 PolarHBondContact O-OG 3.42Å |
| 247 | K | 97.9 | Very high | 93.8 | Very high | 71 Ų | 71 | 29.4 Ų | 29.4 | 31% | 0.309 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 131.5 | -177.5 | -169.1 | 176.7 | 177 | 178.2 | 0 | 110.6 | V178 Y183 T277 F278 I279 | V178-K247 HydrophobicContact CB-CB 4.26Å; V178-K247 HydrophobicContact CB-CD 4.22Å; V178-K247 HydrophobicContact CB-CG 3.98Å; V178-K247 HydrophobicContact CG1-CD 4.12Å; V178-K247 HydrophobicContact CG1-CG 4.42Å; V178-K247 HydrophobicContact CG2-CG 4Å; V178-K247 PolarHBondContact N-O 3.22Å; Y183-K247 HydrophobicContact CD2-CB 4.39Å; Y183-K247 HydrophobicContact CE2-CB 3.86Å; K247-T277 HydrophobicContact CD-CG2 4.13Å; K247-T277 HydrophobicContact CG-CG2 3.76Å; K247-F278 CarbonylContact C-O 3.56Å; K247-F278 WeakPolarHBondContact CA-O 3.4Å; K247-I279 HydrophobicContact CB-CG1 4.12Å; K247-I279 HydrophobicContact CG-CG1 4.23Å |
| 248 | Y | 97.9 | Very high | 93.6 | Very high | 14 Ų | 14 | 26.7 Ų | 26.7 | 6% | 0.055 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 151.1 | -174.7 | -64.5 | -85.2 | 0 | 0 | 0 | 112.7 | V175 I176 P177 L242 H243 H246 T277 F278 S280 | V175-Y248 VanDerWaalsContact CG1-CB 3.45Å; V175-Y248 HydrophobicContact CG1-CD1 3.82Å; V175-Y248 HydrophobicContact CG1-CG 3.83Å; I176-Y248 CarbonylContact O-C 3.54Å; I176-Y248 WeakPolarHBondContact O-CA 3.26Å; P177-Y248 HydrophobicContact CB-CD1 4.2Å; P177-Y248 HydrophobicContact CB-CE1 4.08Å; L242-Y248 HydrophobicContact CB-CE1 4.5Å; L242-Y248 HydrophobicContact CB-CE2 3.95Å; L242-Y248 HydrophobicContact CD1-CD2 4.29Å; L242-Y248 HydrophobicContact CD1-CE2 4.42Å; L242-Y248 HydrophobicContact CD2-CD1 3.81Å; L242-Y248 HydrophobicContact CD2-CD2 4.45Å; L242-Y248 HydrophobicContact CD2-CE1 3.65Å; L242-Y248 HydrophobicContact CD2-CE2 4.3Å; L242-Y248 HydrophobicContact CD2-CG 4.22Å; L242-Y248 HydrophobicContact CG-CE2 4.46Å; H243-Y248 PolarHBondContact N-OH 3.49Å; H243-Y248 WeakPolarHBondContact O-CE2 3.42Å; H243-Y248 PolarHBondContact O-OH 2.72Å; H246-Y248 HydrophobicContact CB-CD2 4.41Å; H246-Y248 HydrophobicContact CB-CE2 3.54Å; H246-Y248 VanDerWaalsContact O-CD2 3.22Å; H246-Y248 WeakPolarHBondContact O-CD2 3.33Å; H246-Y248 WeakPolarHBondContact O-CE2 3.43Å; Y248-T277 VanDerWaalsContact O-CA 3.32Å; Y248-T277 WeakPolarHBondContact O-CA 3.16Å; Y248-T277 WeakPolarHBondContact O-CG2 3.21Å; Y248-F278 HydrophobicContact CD2-CE2 4.26Å; Y248-F278 PolarHBondContact N-O 2.65Å; Y248-F278 PolarHBondContact O-N 2.79Å; Y248-S280 WeakPolarHBondContact CE2-OG 3.37Å |
| 249 | Q | 97.7 | Very high | 93 | Very high | 10 Ų | 10 | 26.1 Ų | 26.1 | 5% | 0.047 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 115.4 | 174.7 | 172.1 | 65.1 | 73.4 | 0 | 0 | 109 | I176 V178 F273 T276 T277 | I176-Q249 HydrophobicContact CG1-CB 4.24Å; I176-Q249 WeakPolarHBondContact CG1-O 3.42Å; I176-Q249 PolarHBondContact N-O 3Å; I176-Q249 PolarHBondContact O-N 3.06Å; V178-Q249 HydrophobicContact CG2-CB 3.8Å; Q249-F273 PolarHBondContact NE2-O 3.35Å; Q249-T276 PolarHBondContact NE2-OG1 3.18Å; Q249-T276 VanDerWaalsContact NE2-OG1 3.11Å; Q249-T277 PolarHBondContact OE1-OG1 2.76Å |
| 250 | P | 97.5 | Very high | 91.9 | Very high | 5 Ų | 5 | 30.3 Ų | 30.3 | 3% | 0.032 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 141.3 | 166.4 | -21.5 | 31.7 | 0 | 0 | 0 | 111.5 | L173 T276 F278 | L173-P250 HydrophobicContact CD1-CB 4.17Å; P250-T276 WeakPolarHBondContact CD-O 3.3Å; P250-T276 WeakPolarHBondContact CG-O 3.28Å; P250-F278 HydrophobicContact CG-CD1 4.14Å; P250-F278 HydrophobicContact CG-CE1 3.85Å |
| 251 | R | 96.7 | Very high | 90.2 | Very high | 56 Ų | 56 | 35.9 Ų | 35.9 | 21% | 0.211 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 131.5 | 172.4 | 170.1 | -179.6 | 66.9 | 178.5 | 8.6 | 109.8 | L173 D174 H253 F271 R272 | L173-R251 WeakPolarHBondContact CA-O 3.28Å; D174-R251 PolarHBondContact N-O 2.9Å; D174-R251 PolarHBondContact O-N 2.92Å; D174-R251 VanDerWaalsContact OD1-CB 3.28Å; D174-R251 WeakPolarHBondContact OD1-CB 3.27Å; D174-R251 IonicContact OD1-CZ 3.64Å; D174-R251 IonicContact OD1-NE 3.49Å; D174-R251 PolarHBondContact OD1-NE 3.21Å; D174-R251 VanDerWaalsContact OD1-NE 3.14Å; D174-R251 IonicContact OD1-NH2 3.81Å; D174-R251 IonicContact OD2-CZ 3.85Å; D174-R251 IonicContact OD2-NE 3.14Å; D174-R251 IonicContact OD2-NH2 3.58Å; D174-R251 PolarHBondContact OD2-NH2 3.35Å; R251-H253 PolarHBondContact NE-CE1 3.31Å; R251-H253 PolarHBondContact NE-NE2 3.47Å; R251-F271 WeakPolarHBondContact CA-O 3.3Å; R251-R272 HydrophobicContact CB-CG 4.06Å; R251-R272 HydrophobicContact CG-CG 3.99Å |
| 252 | I | 96.9 | Very high | 88.6 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 129 | -178.2 | -65.9 | 169.3 | 0 | 0 | 0 | 107.8 | L93 V158 F171 L172 L173 F224 S270 F271 F273 | L93-I252 HydrophobicContact CD2-CB 4.48Å; L93-I252 HydrophobicContact CD2-CG2 3.83Å; V158-I252 HydrophobicContact CB-CD1 4.42Å; V158-I252 HydrophobicContact CG1-CD1 3.42Å; V158-I252 VanDerWaalsContact CG1-CD1 3.42Å; V158-I252 HydrophobicContact CG2-CD1 4.09Å; F171-I252 HydrophobicContact CD1-CG2 3.95Å; F171-I252 HydrophobicContact CE1-CG2 4.24Å; L172-I252 CarbonylContact O-C 3.41Å; L172-I252 WeakPolarHBondContact O-CA 3.39Å; L173-I252 HydrophobicContact CD1-CD1 4.38Å; L173-I252 HydrophobicContact CD1-CG1 3.49Å; L173-I252 VanDerWaalsContact CD1-CG1 3.49Å; F224-I252 HydrophobicContact CD2-CD1 4.28Å; F224-I252 HydrophobicContact CE2-CD1 3.92Å; F224-I252 HydrophobicContact CE2-CG1 4.1Å; F224-I252 HydrophobicContact CE2-CG2 4.17Å; F224-I252 HydrophobicContact CZ-CG1 4.48Å; F224-I252 HydrophobicContact CZ-CG2 4.13Å; I252-S270 CarbonylContact O-C 3.47Å; I252-S270 WeakPolarHBondContact O-CA 3.37Å; I252-F271 PolarHBondContact N-O 3.18Å; I252-F271 PolarHBondContact O-N 3.42Å; I252-F273 HydrophobicContact CD1-CE2 4.29Å |
| 253 | H | 94.7 | Very high | 86.6 | Confident | 15 Ų | 15 | 45.9 Ų | 45.9 | 7% | 0.069 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 138.1 | 177.5 | -56.5 | -84.5 | 0 | 0 | 0 | 110.2 | F171 L172 D174 R251 A269 S270 | F171-H253 WeakPolarHBondContact CA-O 3.46Å; L172-H253 HydrophobicContact CB-CB 4.16Å; L172-H253 HydrophobicContact CD1-CB 4.13Å; L172-H253 PolarHBondContact N-O 2.98Å; L172-H253 PolarHBondContact O-N 3.14Å; D174-H253 VanDerWaalsContact CG-NE2 3.3Å; D174-H253 IonicContact OD1-CD2 2.87Å; D174-H253 IonicContact OD1-NE2 2.92Å; D174-H253 PolarHBondContact OD1-NE2 2.85Å; D174-H253 VanDerWaalsContact OD1-NE2 3.17Å; D174-H253 IonicContact OD2-NE2 3.1Å; D174-H253 PolarHBondContact OD2-NE2 3.39Å; R251-H253 PolarHBondContact NE-CE1 3.31Å; R251-H253 PolarHBondContact NE-NE2 3.47Å; H253-A269 CarbonylContact C-O 3.58Å; H253-A269 VanDerWaalsContact CA-O 3.3Å; H253-A269 WeakPolarHBondContact CA-O 3.5Å; H253-S270 PolarHBondContact CE1-OG 3.21Å; H253-S270 PolarHBondContact ND1-OG 2.92Å |
| 254 | L | 94.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 122.4 | 172.2 | 173.9 | 71.1 | 0 | 0 | 0 | 107.9 | L88 V91 L163 Y169 L170 F171 M268 A269 F271 | L88-L254 HydrophobicContact CD1-CD2 3.81Å; L88-L254 HydrophobicContact CD1-CG 4.21Å; V91-L254 HydrophobicContact CG1-CD2 3.64Å; L163-L254 HydrophobicContact CD2-CD1 4.36Å; L163-L254 HydrophobicContact CD2-CD2 3.47Å; L163-L254 VanDerWaalsContact CD2-CD2 3.47Å; L163-L254 HydrophobicContact CD2-CG 4.49Å; Y169-L254 HydrophobicContact CD1-CD1 3.87Å; Y169-L254 HydrophobicContact CD1-CG 4.16Å; Y169-L254 HydrophobicContact CG-CD1 4.07Å; L170-L254 WeakPolarHBondContact O-CA 3.41Å; F171-L254 HydrophobicContact CD2-CD1 3.82Å; F171-L254 HydrophobicContact CE2-CD1 3.4Å; F171-L254 HydrophobicContact CZ-CD1 3.83Å; L254-M268 CarbonylContact O-C 3.53Å; L254-M268 VanDerWaalsContact O-CA 3.29Å; L254-M268 WeakPolarHBondContact O-CA 3.4Å; L254-A269 PolarHBondContact N-O 3.33Å; L254-A269 PolarHBondContact O-N 2.97Å; L254-F271 HydrophobicContact CB-CE2 4.31Å |
| 255 | V | 91.9 | Very high | 82.7 | Confident | 19 Ų | 19 | 59 Ų | 59 | 12% | 0.115 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 127.1 | -178.6 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | Y169 L170 L172 A257 L260 G267 M268 | Y169-V255 CarbonylContact C-O 3.49Å; Y169-V255 VanDerWaalsContact CA-O 3.23Å; Y169-V255 WeakPolarHBondContact CA-O 3.33Å; L170-V255 HydrophobicContact CB-CB 4.49Å; L170-V255 PolarHBondContact N-O 3.47Å; L170-V255 PolarHBondContact O-N 3.06Å; L172-V255 HydrophobicContact CD1-CB 4.42Å; L172-V255 HydrophobicContact CD1-CG2 3.74Å; V255-A257 PolarHBondContact O-N 2.93Å; V255-L260 HydrophobicContact CG1-CD1 3.72Å; V255-L260 HydrophobicContact CG1-CG 4.02Å; V255-G267 WeakPolarHBondContact CA-O 3.24Å; V255-M268 HydrophobicContact CG2-CB 4.07Å; V255-M268 HydrophobicContact CG2-CG 3.85Å; V255-M268 HydrophobicContact CG2-SD 4.25Å |
| 256 | R | 90.8 | Very high | 80.7 | Confident | 88 Ų | 88 | 60.4 Ų | 60.4 | 33% | 0.332 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 127.6 | 171.3 | -160.3 | 179.8 | -174.9 | 175.2 | 5 | 109.4 | D164 A167 Y169 A258 Q259 G267 | D164-R256 IonicContact OD2-NH2 3.89Å; D164-R256 PolarHBondContact OD2-NH2 2.8Å; A167-R256 HydrophobicContact CB-CG 4.46Å; Y169-R256 HydrophobicContact CD1-CB 3.99Å; Y169-R256 HydrophobicContact CD1-CG 4.14Å; Y169-R256 HydrophobicContact CE1-CB 3.88Å; Y169-R256 HydrophobicContact CE1-CG 3.79Å; R256-A258 VanDerWaalsContact C-N 3.31Å; R256-A258 PolarHBondContact O-N 2.95Å; R256-Q259 HydrophobicContact CB-CG 4.38Å; R256-Q259 PolarHBondContact O-N 3.33Å; R256-G267 PolarHBondContact N-O 3.36Å; R256-G267 VanDerWaalsContact N-O 3.15Å |
| 257 | A | 87.9 | Confident | 79.2 | Confident | 25 Ų | 25 | 60.2 Ų | 60.2 | 21% | 0.207 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59 | -40.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R168 L170 V255 Q259 L260 | R168-A257 HydrophobicContact CB-CB 3.81Å; R168-A257 WeakPolarHBondContact O-CB 3.41Å; R168-A257 PolarHBondContact O-N 3.16Å; L170-A257 HydrophobicContact CD1-CB 3.91Å; V255-A257 PolarHBondContact O-N 2.93Å; A257-Q259 PolarHBondContact O-N 2.84Å; A257-Q259 VanDerWaalsContact O-N 3.11Å; A257-L260 PolarHBondContact O-N 3.01Å; A257-L260 VanDerWaalsContact O-N 3.15Å |
| 258 | A | 80.5 | Confident | 78.4 | Confident | 73 Ų | 73 | 59.9 Ų | 59.9 | 60% | 0.603 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -59.6 | -24.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R256 | R256-A258 VanDerWaalsContact C-N 3.31Å; R256-A258 PolarHBondContact O-N 2.95Å |
| 259 | Q | 72.6 | Confident | 78 | Confident | 34 Ų | 34 | 59.2 Ų | 59.2 | 16% | 0.159 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -88.4 | -14.1 | -177.4 | -67.7 | 173.8 | -63.4 | 0 | 0 | 113.4 | R256 A257 C261 S262 G266 G267 | R256-Q259 HydrophobicContact CB-CG 4.38Å; R256-Q259 PolarHBondContact O-N 3.33Å; A257-Q259 PolarHBondContact O-N 2.84Å; A257-Q259 VanDerWaalsContact O-N 3.11Å; Q259-C261 PolarHBondContact O-N 3.14Å; Q259-S262 VanDerWaalsContact CA-OG 3.25Å; Q259-S262 WeakPolarHBondContact CA-OG 3.17Å; Q259-S262 PolarHBondContact O-N 3.07Å; Q259-S262 PolarHBondContact O-OG 3.17Å; Q259-G266 PolarHBondContact NE2-O 2.87Å; Q259-G266 VanDerWaalsContact NE2-O 3.12Å; Q259-G267 PolarHBondContact OE1-O 3.1Å |
| 260 | L | 68.6 | Low | 77.7 | Confident | 110 Ų | 110 | 59 Ų | 59 | 58% | 0.576 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65.7 | -27.6 | 170.5 | -83.6 | 130.8 | 0 | 0 | 0 | 112.4 | L170 V255 A257 S262 | L170-L260 HydrophobicContact CD1-CD1 3.39Å; L170-L260 HydrophobicContact CD2-CD1 4.33Å; L170-L260 HydrophobicContact CG-CD1 4.49Å; V255-L260 HydrophobicContact CG1-CD1 3.72Å; V255-L260 HydrophobicContact CG1-CG 4.02Å; A257-L260 PolarHBondContact O-N 3.01Å; A257-L260 VanDerWaalsContact O-N 3.15Å; L260-S262 VanDerWaalsContact C-N 3.33Å |
| 261 | C | 57.8 | Low | 77.6 | Confident | 124 Ų | 124 | 59.1 Ų | 59.1 | 84% | 0.838 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -10.4 | 177.1 | -59 | 0 | 0 | 0 | 0 | 112.9 | Q259 | Q259-C261 PolarHBondContact O-N 3.14Š|
| 262 | S | 59.8 | Low | 77.5 | Confident | 33 Ų | 33 | 59.5 Ų | 59.5 | 23% | 0.231 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -105.6 | 137.3 | -177.4 | 68 | 0 | 0 | 0 | 0 | 110.5 | Q259 L260 H264 | Q259-S262 VanDerWaalsContact CA-OG 3.25Å; Q259-S262 WeakPolarHBondContact CA-OG 3.17Å; Q259-S262 PolarHBondContact O-N 3.07Å; Q259-S262 PolarHBondContact O-OG 3.17Å; L260-S262 VanDerWaalsContact C-N 3.33Å; S262-H264 WeakPolarHBondContact CB-CE1 3.35Å; S262-H264 VanDerWaalsContact CB-ND1 3.33Å; S262-H264 WeakPolarHBondContact CB-ND1 3.33Å; S262-H264 PolarHBondContact O-N 2.93Å; S262-H264 PolarHBondContact OG-CE1 3.1Å; S262-H264 PolarHBondContact OG-ND1 3.37Å; S262-H264 VanDerWaalsContact OG-ND1 3.13Å; S262-H264 PolarHBondContact OG-NE2 3.47Å |
| 263 | Q | 52.8 | Low | 77.6 | Confident | 199 Ų | 199 | 59.9 Ų | 59.9 | 93% | 0.93 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -65.2 | -1.2 | -177.9 | -130.6 | 153.8 | -24.8 | 0 | 0 | 114.5 | ||
| 264 | H | 52.9 | Low | 77.7 | Confident | 107 Ų | 107 | 63.1 Ų | 63.1 | 50% | 0.495 | 34% | 0.34 | S | S | . | . | trans | -95.4 | 119.6 | 176.7 | 65.1 | -95.3 | 0 | 0 | 0 | 110.8 | S262 G266 | S262-H264 WeakPolarHBondContact CB-CE1 3.35Å; S262-H264 VanDerWaalsContact CB-ND1 3.33Å; S262-H264 WeakPolarHBondContact CB-ND1 3.33Å; S262-H264 PolarHBondContact O-N 2.93Å; S262-H264 PolarHBondContact OG-CE1 3.1Å; S262-H264 PolarHBondContact OG-ND1 3.37Å; S262-H264 VanDerWaalsContact OG-ND1 3.13Å; S262-H264 PolarHBondContact OG-NE2 3.47Å; H264-G266 PolarHBondContact O-N 3.43Å | ||
| 265 | W | 53.4 | Low | 77.8 | Confident | 217 Ų | 217 | 63.9 Ų | 63.9 | 82% | 0.822 | 34% | 0.344 | S | S | * | . | trans | -68 | 15 | 174.6 | -61.2 | 85.7 | 0 | 0 | 0 | 113.9 | G267 | W265-G267 VanDerWaalsContact C-N 3.29Å; W265-G267 PolarHBondContact O-N 3.22Å; W265-G267 VanDerWaalsContact O-N 3.12Å | ||
| 266 | G | 54.7 | Low | 78.1 | Confident | 56 Ų | 56 | 63 Ų | 63 | 58% | 0.577 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 23.8 | -165.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q259 H264 | Q259-G266 PolarHBondContact NE2-O 2.87Å; Q259-G266 VanDerWaalsContact NE2-O 3.12Å; H264-G266 PolarHBondContact O-N 3.43Å |
| 267 | G | 65.5 | Low | 78.5 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 4% | 0.041 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -161.8 | 46.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | V255 R256 Q259 W265 | V255-G267 WeakPolarHBondContact CA-O 3.24Å; R256-G267 PolarHBondContact N-O 3.36Å; R256-G267 VanDerWaalsContact N-O 3.15Å; Q259-G267 PolarHBondContact OE1-O 3.1Å; W265-G267 VanDerWaalsContact C-N 3.29Å; W265-G267 PolarHBondContact O-N 3.22Å; W265-G267 VanDerWaalsContact O-N 3.12Å |
| 268 | M | 81.8 | Confident | 79 | Confident | 63 Ų | 63 | 59.1 Ų | 59.1 | 31% | 0.31 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 128.7 | 151.7 | 178 | 170.4 | 64.2 | 0 | 0 | 108.7 | H86 L254 V255 | H86-M268 VanDerWaalsContact CB-O 3.27Å; H86-M268 WeakPolarHBondContact CB-O 3.38Å; L254-M268 CarbonylContact O-C 3.53Å; L254-M268 VanDerWaalsContact O-CA 3.29Å; L254-M268 WeakPolarHBondContact O-CA 3.4Å; V255-M268 HydrophobicContact CG2-CB 4.07Å; V255-M268 HydrophobicContact CG2-CG 3.85Å; V255-M268 HydrophobicContact CG2-SD 4.25Å |
| 269 | A | 88.5 | Confident | 79.8 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 140.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | H86 L88 H253 L254 F271 | H86-A269 WeakPolarHBondContact O-CA 3.43Å; H86-A269 WeakPolarHBondContact O-CB 3.16Å; L88-A269 HydrophobicContact CB-CB 4.42Å; L88-A269 HydrophobicContact CD1-CB 4.18Å; L88-A269 HydrophobicContact CG-CB 4.13Å; H253-A269 CarbonylContact C-O 3.58Å; H253-A269 VanDerWaalsContact CA-O 3.3Å; H253-A269 WeakPolarHBondContact CA-O 3.5Å; L254-A269 PolarHBondContact N-O 3.33Å; L254-A269 PolarHBondContact O-N 2.97Å; A269-F271 HydrophobicContact CB-CE2 3.53Å; A269-F271 HydrophobicContact CB-CZ 3.79Å |
| 270 | S | 92.3 | Very high | 81 | Confident | 5 Ų | 5 | 54.7 Ų | 54.7 | 4% | 0.035 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 128.2 | -176.5 | -56.3 | 0 | 0 | 0 | 0 | 110.6 | I252 H253 | I252-S270 CarbonylContact O-C 3.47Å; I252-S270 WeakPolarHBondContact O-CA 3.37Å; H253-S270 PolarHBondContact CE1-OG 3.21Å; H253-S270 PolarHBondContact ND1-OG 2.92Å |
| 271 | F | 94.8 | Very high | 82.3 | Confident | 9 Ų | 9 | 49.4 Ų | 49.4 | 4% | 0.039 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 134.2 | -173.5 | -58 | -92 | 0 | 0 | 0 | 110.6 | A84 V91 L93 R251 I252 L254 A269 | A84-F271 HydrophobicContact CB-CE1 4.47Å; V91-F271 HydrophobicContact CG1-CZ 4.39Å; L93-F271 HydrophobicContact CB-CD1 3.97Å; L93-F271 HydrophobicContact CB-CD2 4.46Å; L93-F271 HydrophobicContact CB-CE1 4.28Å; L93-F271 HydrophobicContact CB-CG 4.07Å; L93-F271 HydrophobicContact CD1-CD1 4.4Å; L93-F271 HydrophobicContact CD1-CD2 3.93Å; L93-F271 HydrophobicContact CD1-CE1 4.07Å; L93-F271 HydrophobicContact CD1-CE2 3.56Å; L93-F271 HydrophobicContact CD1-CG 4.34Å; L93-F271 HydrophobicContact CD1-CZ 3.64Å; L93-F271 HydrophobicContact CD2-CB 4.21Å; L93-F271 HydrophobicContact CD2-CD2 3.62Å; L93-F271 HydrophobicContact CD2-CE2 4.12Å; L93-F271 HydrophobicContact CD2-CG 3.87Å; L93-F271 HydrophobicContact CG-CD2 4.22Å; L93-F271 HydrophobicContact CG-CE2 4.34Å; L93-F271 HydrophobicContact CG-CG 4.32Å; R251-F271 WeakPolarHBondContact CA-O 3.3Å; I252-F271 PolarHBondContact N-O 3.18Å; I252-F271 PolarHBondContact O-N 3.42Å; L254-F271 HydrophobicContact CB-CE2 4.31Å; A269-F271 HydrophobicContact CB-CE2 3.53Å; A269-F271 HydrophobicContact CB-CZ 3.79Å |
| 272 | R | 96.1 | Very high | 84 | Confident | 63 Ų | 63 | 46.2 Ų | 46.2 | 24% | 0.238 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 137.6 | 177.3 | -58.8 | 175.6 | 81.2 | 176.7 | 1.3 | 108.8 | P82 I176 R251 | P82-R272 WeakPolarHBondContact CB-O 3.41Å; I176-R272 VanDerWaalsContact CD1-NH2 3.27Å; R251-R272 HydrophobicContact CB-CG 4.06Å; R251-R272 HydrophobicContact CG-CG 3.99Å |
| 273 | F | 97.3 | Very high | 85.4 | Confident | 14 Ų | 14 | 45.3 Ų | 45.3 | 6% | 0.061 | 23% | 0.232 | C | C | . | . | trans | -116.3 | 105 | 173.5 | -61.5 | -76.9 | 0 | 0 | 0 | 107.5 | P82 L93 L95 V158 Q249 I252 E275 T276 | P82-F273 HydrophobicContact CB-CE1 4.43Å; L93-F273 HydrophobicContact CB-CZ 4.22Å; L95-F273 HydrophobicContact CB-CD1 3.71Å; L95-F273 HydrophobicContact CB-CD2 4.34Å; L95-F273 HydrophobicContact CB-CE1 3.78Å; L95-F273 HydrophobicContact CB-CE2 4.4Å; L95-F273 HydrophobicContact CB-CG 3.99Å; L95-F273 HydrophobicContact CB-CZ 4.13Å; L95-F273 HydrophobicContact CD1-CD2 4.18Å; L95-F273 HydrophobicContact CD1-CG 4.37Å; L95-F273 HydrophobicContact CD2-CB 4.06Å; L95-F273 HydrophobicContact CD2-CD1 4.46Å; L95-F273 HydrophobicContact CD2-CG 4.2Å; L95-F273 HydrophobicContact CG-CG 4.43Å; V158-F273 HydrophobicContact CG1-CE2 3.72Å; V158-F273 HydrophobicContact CG1-CZ 4.13Å; Q249-F273 PolarHBondContact NE2-O 3.35Å; I252-F273 HydrophobicContact CD1-CE2 4.29Å; F273-E275 PolarHBondContact O-N 3.32Å; F273-E275 VanDerWaalsContact O-N 3.16Å; F273-T276 HydrophobicContact CB-CG2 3.73Å; F273-T276 WeakPolarHBondContact O-CB 3.36Å; F273-T276 PolarHBondContact O-N 3.12Å; F273-T276 PolarHBondContact O-OG1 3.13Å | ||
| 274 | P | 97.3 | Very high | 87.4 | Confident | 82 Ų | 82 | 38.8 Ų | 38.8 | 53% | 0.532 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -52.4 | -37.7 | -174.5 | -29.4 | 35.9 | 0 | 0 | 0 | 114 | T276 T277 | P274-T276 PolarHBondContact O-N 3.4Å; P274-T276 VanDerWaalsContact O-N 3.15Å; P274-T277 VanDerWaalsContact O-CB 3.27Å; P274-T277 WeakPolarHBondContact O-CB 3.31Å; P274-T277 PolarHBondContact O-N 2.96Å; P274-T277 VanDerWaalsContact O-N 3.08Å; P274-T277 PolarHBondContact O-OG1 3.43Å |
| 275 | E | 97.4 | Very high | 89.4 | Confident | 16 Ų | 16 | 36.2 Ų | 36.2 | 8% | 0.075 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -63.1 | -18.3 | 177.9 | 59.8 | -93.1 | -115.3 | 0 | 0 | 113.8 | L95 R98 W101 K102 F273 T277 | L95-E275 HydrophobicContact CD2-CG 3.79Å; R98-E275 WeakPolarHBondContact CG-OE1 3.06Å; R98-E275 IonicContact CZ-OE1 3.23Å; R98-E275 IonicContact NE-OE1 3.38Å; R98-E275 PolarHBondContact NE-OE1 3.25Å; R98-E275 IonicContact NH2-OE1 2.74Å; R98-E275 PolarHBondContact NH2-OE1 2.96Å; W101-E275 HydrophobicContact CB-CB 4.48Å; W101-E275 HydrophobicContact CB-CG 4.04Å; K102-E275 HydrophobicContact CG-CB 4.42Å; F273-E275 PolarHBondContact O-N 3.32Å; F273-E275 VanDerWaalsContact O-N 3.16Å; E275-T277 VanDerWaalsContact C-N 3.27Å; E275-T277 PolarHBondContact O-N 3.37Å |
| 276 | T | 98.3 | Very high | 91.3 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -84.7 | 0.2 | 177 | 66.7 | 0 | 0 | 0 | 0 | 113.5 | L95 W101 Q249 P250 F273 P274 | L95-T276 HydrophobicContact CD1-CG2 4.04Å; L95-T276 HydrophobicContact CD2-CG2 3.64Å; W101-T276 HydrophobicContact CD2-CG2 3.84Å; W101-T276 HydrophobicContact CE3-CG2 3.97Å; W101-T276 HydrophobicContact CG-CG2 4.3Å; W101-T276 HydrophobicContact CH2-CG2 4.33Å; W101-T276 HydrophobicContact CZ2-CG2 4.22Å; W101-T276 HydrophobicContact CZ3-CG2 4.21Å; Q249-T276 PolarHBondContact NE2-OG1 3.18Å; Q249-T276 VanDerWaalsContact NE2-OG1 3.11Å; P250-T276 WeakPolarHBondContact CD-O 3.3Å; P250-T276 WeakPolarHBondContact CG-O 3.28Å; F273-T276 HydrophobicContact CB-CG2 3.73Å; F273-T276 WeakPolarHBondContact O-CB 3.36Å; F273-T276 PolarHBondContact O-N 3.12Å; F273-T276 PolarHBondContact O-OG1 3.13Å; P274-T276 PolarHBondContact O-N 3.4Å; P274-T276 VanDerWaalsContact O-N 3.15Å |
| 277 | T | 98.3 | Very high | 93.1 | Very high | 28 Ų | 28 | 27.3 Ų | 27.3 | 17% | 0.172 | 15% | 0.148 | C | C | . | . | trans | -59 | 138.9 | 172.5 | -63.6 | 0 | 0 | 0 | 0 | 111 | T109 V178 K247 Y248 Q249 P274 E275 | T109-T277 WeakPolarHBondContact CB-O 3.29Å; T109-T277 PolarHBondContact OG1-O 3.38Å; V178-T277 HydrophobicContact CG2-CG2 4.09Å; K247-T277 HydrophobicContact CD-CG2 4.13Å; K247-T277 HydrophobicContact CG-CG2 3.76Å; Y248-T277 VanDerWaalsContact O-CA 3.32Å; Y248-T277 WeakPolarHBondContact O-CA 3.16Å; Y248-T277 WeakPolarHBondContact O-CG2 3.21Å; Q249-T277 PolarHBondContact OE1-OG1 2.76Å; P274-T277 VanDerWaalsContact O-CB 3.27Å; P274-T277 WeakPolarHBondContact O-CB 3.31Å; P274-T277 PolarHBondContact O-N 2.96Å; P274-T277 VanDerWaalsContact O-N 3.08Å; P274-T277 PolarHBondContact O-OG1 3.43Å; E275-T277 VanDerWaalsContact C-N 3.27Å; E275-T277 PolarHBondContact O-N 3.37Å | ||
| 278 | F | 98.5 | Very high | 94.4 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 1% | 0.013 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 161.9 | 179.6 | 67.7 | -93 | 0 | 0 | 0 | 112.6 | T109 M111 V175 L229 L242 K247 Y248 P250 | T109-F278 HydrophobicContact CG2-CB 3.71Å; T109-F278 CarbonylContact O-C 3.56Å; T109-F278 VanDerWaalsContact O-CA 3.28Å; T109-F278 WeakPolarHBondContact O-CA 3.33Å; T109-F278 WeakPolarHBondContact O-CB 3.36Å; M111-F278 HydrophobicContact CB-CD2 3.49Å; M111-F278 VanDerWaalsContact CB-CD2 3.49Å; M111-F278 HydrophobicContact CB-CE2 3.68Å; M111-F278 HydrophobicContact CB-CG 4.13Å; M111-F278 HydrophobicContact CB-CZ 4.45Å; M111-F278 HydrophobicContact CG-CB 3.82Å; M111-F278 HydrophobicContact CG-CD1 3.92Å; M111-F278 HydrophobicContact CG-CD2 3.31Å; M111-F278 HydrophobicContact CG-CE1 4.3Å; M111-F278 HydrophobicContact CG-CE2 3.76Å; M111-F278 HydrophobicContact CG-CG 3.4Å; M111-F278 VanDerWaalsContact CG-CG 3.4Å; M111-F278 HydrophobicContact CG-CZ 4.23Å; V175-F278 HydrophobicContact CG1-CE1 4.25Å; V175-F278 HydrophobicContact CG1-CZ 3.97Å; L229-F278 HydrophobicContact CD1-CE2 4.22Å; L229-F278 HydrophobicContact CD1-CZ 4.1Å; L242-F278 HydrophobicContact CD1-CE2 3.88Å; L242-F278 HydrophobicContact CD1-CZ 3.81Å; K247-F278 CarbonylContact C-O 3.56Å; K247-F278 WeakPolarHBondContact CA-O 3.4Å; Y248-F278 HydrophobicContact CD2-CE2 4.26Å; Y248-F278 PolarHBondContact N-O 2.65Å; Y248-F278 PolarHBondContact O-N 2.79Å; P250-F278 HydrophobicContact CG-CD1 4.14Å; P250-F278 HydrophobicContact CG-CE1 3.85Å |
| 279 | I | 98.2 | Very high | 95 | Very high | 13 Ų | 13 | 29.4 Ų | 29.4 | 7% | 0.067 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 128 | 166.2 | -65.3 | 173.4 | 0 | 0 | 0 | 108.7 | T109 E110 M111 Y183 W190 H246 K247 V281 | T109-I279 PolarHBondContact O-N 2.86Å; E110-I279 WeakPolarHBondContact CA-O 3.28Å; M111-I279 PolarHBondContact N-O 2.82Å; Y183-I279 HydrophobicContact CD1-CD1 4.43Å; Y183-I279 HydrophobicContact CG-CD1 4.26Å; W190-I279 HydrophobicContact CB-CD1 4.04Å; W190-I279 HydrophobicContact CD2-CD1 3.42Å; W190-I279 VanDerWaalsContact CD2-CD1 3.42Å; W190-I279 HydrophobicContact CE3-CD1 3.84Å; W190-I279 HydrophobicContact CG-CD1 3.52Å; W190-I279 HydrophobicContact CH2-CG2 3.72Å; W190-I279 HydrophobicContact CZ2-CB 4.32Å; W190-I279 HydrophobicContact CZ2-CD1 4.31Å; W190-I279 HydrophobicContact CZ2-CG2 3.99Å; W190-I279 HydrophobicContact CZ3-CD1 4.38Å; W190-I279 HydrophobicContact CZ3-CG2 4.02Å; H246-I279 WeakPolarHBondContact O-CA 3.32Å; K247-I279 HydrophobicContact CB-CG1 4.12Å; K247-I279 HydrophobicContact CG-CG1 4.23Å; I279-V281 HydrophobicContact CG2-CG1 4.18Å |
| 280 | S | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 139.7 | 173.8 | 61.4 | 0 | 0 | 0 | 0 | 109.7 | M111 H243 S244 M245 H246 Y248 | M111-S280 CarbonylContact O-C 3.59Å; M111-S280 WeakPolarHBondContact O-CA 3.22Å; H243-S280 PolarHBondContact O-OG 2.87Å; S244-S280 WeakPolarHBondContact CA-OG 3.43Å; M245-S280 WeakPolarHBondContact CA-O 3.45Å; M245-S280 PolarHBondContact N-O 2.8Å; M245-S280 PolarHBondContact N-OG 2.82Å; H246-S280 PolarHBondContact O-N 2.76Å; H246-S280 PolarHBondContact O-OG 3.42Å; Y248-S280 WeakPolarHBondContact CE2-OG 3.37Å |
| 281 | V | 96.1 | Very high | 95 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 151.4 | 179.7 | -63.8 | 0 | 0 | 0 | 0 | 110 | E110 M111 I112 I113 W190 M245 I279 A283 Y284 Q285 | E110-V281 HydrophobicContact CB-CG2 3.98Å; E110-V281 HydrophobicContact CG-CG1 4.48Å; M111-V281 PolarHBondContact O-N 2.85Å; I112-V281 CarbonylContact C-O 3.5Å; I112-V281 WeakPolarHBondContact CA-O 3.45Å; I112-V281 HydrophobicContact CD1-CG2 3.9Å; I113-V281 PolarHBondContact N-O 2.82Å; W190-V281 HydrophobicContact CH2-CG1 3.8Å; W190-V281 HydrophobicContact CZ2-CG1 4.1Å; M245-V281 HydrophobicContact SD-CB 4.5Å; M245-V281 HydrophobicContact SD-CG1 3.97Å; I279-V281 HydrophobicContact CG2-CG1 4.18Å; V281-A283 WeakPolarHBondContact CB-O 3.4Å; V281-A283 WeakPolarHBondContact CG2-O 3.46Å; V281-Y284 HydrophobicContact CG2-CD1 4.5Å; V281-Q285 HydrophobicContact CG1-CG 4.11Å |
| 282 | T | 92.8 | Very high | 95 | Very high | 57 Ų | 57 | 38.5 Ų | 38.5 | 35% | 0.35 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -82.1 | -22.6 | 170.2 | 51.1 | 0 | 0 | 0 | 0 | 112 | I113 V124 S244 | I113-T282 HydrophobicContact CG1-CG2 4.26Å; V124-T282 WeakPolarHBondContact CG1-O 3.37Å; S244-T282 PolarHBondContact OG-N 2.8Å |
| 283 | A | 90.3 | Very high | 94.8 | Very high | 13 Ų | 13 | 35.9 Ų | 35.9 | 11% | 0.107 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -150.9 | 149.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y128 V281 Q285 | Y128-A283 HydrophobicContact CD2-CB 3.61Å; Y128-A283 HydrophobicContact CE2-CB 3.12Å; V281-A283 WeakPolarHBondContact CB-O 3.4Å; V281-A283 WeakPolarHBondContact CG2-O 3.46Å; A283-Q285 PolarHBondContact O-N 3.49Å; A283-Q285 PolarHBondContact O-NE2 3.16Å |
| 284 | Y | 93.9 | Very high | 94.4 | Very high | 63 Ų | 63 | 37.5 Ų | 37.5 | 25% | 0.247 | 20% | 0.201 | C | C | . | . | trans | -59.7 | 137.3 | -178.5 | -65.7 | -59.1 | 0 | 0 | 0 | 111.5 | E110 I112 Y128 V281 I289 T290 K293 | E110-Y284 HydrophobicContact CB-CD1 4.01Å; E110-Y284 HydrophobicContact CB-CE1 4.32Å; E110-Y284 WeakPolarHBondContact OE2-CA 3.12Å; E110-Y284 WeakPolarHBondContact OE2-CD1 3.27Å; I112-Y284 HydrophobicContact CD1-CD1 3.9Å; I112-Y284 HydrophobicContact CD1-CD2 4.07Å; I112-Y284 HydrophobicContact CD1-CE1 3.88Å; I112-Y284 HydrophobicContact CD1-CE2 4.06Å; I112-Y284 HydrophobicContact CD1-CG 3.98Å; I112-Y284 HydrophobicContact CG1-CD1 4.27Å; I112-Y284 HydrophobicContact CG1-CD2 4.49Å; I112-Y284 HydrophobicContact CG1-CE1 3.72Å; I112-Y284 HydrophobicContact CG1-CE2 3.98Å; Y128-Y284 PolarHBondContact OH-O 2.97Å; V281-Y284 HydrophobicContact CG2-CD1 4.5Å; Y284-I289 HydrophobicContact CD1-CG2 4.01Å; Y284-I289 HydrophobicContact CE1-CG2 4.09Å; Y284-T290 VanDerWaalsContact CB-OG1 3.26Å; Y284-T290 WeakPolarHBondContact CB-OG1 3.36Å; Y284-T290 HydrophobicContact CD2-CG2 4.49Å; Y284-K293 HydrophobicContact CE1-CD 4.39Å; Y284-K293 HydrophobicContact CE1-CG 4.15Å; Y284-K293 HydrophobicContact CE2-CG 4.35Å; Y284-K293 WeakPolarHBondContact OH-CD 3.31Å; Y284-K293 WeakPolarHBondContact OH-CG 3.37Å | ||
| 285 | Q | 95.1 | Very high | 94 | Very high | 53 Ų | 53 | 36.5 Ų | 36.5 | 25% | 0.248 | 20% | 0.2 | C | C | . | . | trans | -102.2 | -47.6 | -179.9 | -57.2 | -60.6 | -57.6 | 0 | 0 | 110.9 | E110 W185 W190 M245 V281 A283 P287 | E110-Q285 PolarHBondContact OE2-N 2.56Å; W185-Q285 HydrophobicContact CB-CB 3.6Å; W185-Q285 HydrophobicContact CB-CG 4.12Å; W185-Q285 HydrophobicContact CD2-CB 4.38Å; W185-Q285 HydrophobicContact CG-CB 3.7Å; W185-Q285 PolarHBondContact NE1-O 3.17Å; W190-Q285 HydrophobicContact CH2-CB 4.11Å; W190-Q285 HydrophobicContact CH2-CG 3.63Å; W190-Q285 HydrophobicContact CZ2-CB 3.94Å; W190-Q285 HydrophobicContact CZ2-CG 3.92Å; M245-Q285 HydrophobicContact CE-CG 4.28Å; V281-Q285 HydrophobicContact CG1-CG 4.11Å; A283-Q285 PolarHBondContact O-N 3.49Å; A283-Q285 PolarHBondContact O-NE2 3.16Å; Q285-P287 WeakPolarHBondContact O-CD 3.37Å | ||
| 286 | N | 93.4 | Very high | 93.6 | Very high | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.027 | 21% | 0.21 | C | C | . | . | trans | -84.4 | 118.2 | 176.9 | -173.3 | -10.8 | 0 | 0 | 0 | 111.2 | V107 E110 W185 Q288 I289 T290 | V107-N286 WeakPolarHBondContact CG1-ND2 3.38Å; V107-N286 PolarHBondContact O-ND2 3.4Å; E110-N286 VanDerWaalsContact OE1-CB 3.28Å; E110-N286 WeakPolarHBondContact OE1-CB 2.96Å; E110-N286 PolarHBondContact OE1-N 3.17Å; W185-N286 HydrophobicContact CH2-CB 3.82Å; W185-N286 WeakPolarHBondContact CH2-ND2 3.37Å; W185-N286 HydrophobicContact CZ2-CB 3.73Å; W185-N286 HydrophobicContact CZ3-CB 4.25Å; N286-Q288 PolarHBondContact O-N 3.12Å; N286-Q288 WeakPolarHBondContact OD1-CB 3.36Å; N286-Q288 PolarHBondContact OD1-N 2.99Å; N286-I289 HydrophobicContact CB-CB 4.44Å; N286-I289 HydrophobicContact CB-CG1 4.02Å; N286-I289 PolarHBondContact O-N 3.32Å; N286-T290 PolarHBondContact O-N 3.18Å | ||
| 287 | P | 91.9 | Very high | 93.2 | Very high | 81 Ų | 81 | 38.8 Ų | 38.8 | 53% | 0.526 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.7 | -30.6 | 176.6 | -23.8 | 34.8 | 0 | 0 | 0 | 113.9 | Q285 I289 T290 Q291 | Q285-P287 WeakPolarHBondContact O-CD 3.37Å; P287-I289 VanDerWaalsContact C-N 3.34Å; P287-I289 PolarHBondContact O-N 2.89Å; P287-T290 WeakPolarHBondContact O-CB 3.47Å; P287-T290 PolarHBondContact O-N 3.11Å; P287-T290 VanDerWaalsContact O-N 3.13Å; P287-Q291 WeakPolarHBondContact O-CG 3.29Å; P287-Q291 PolarHBondContact O-N 3.26Å |
| 288 | Q | 94.4 | Very high | 92.7 | Very high | 111 Ų | 111 | 41.8 Ų | 41.8 | 52% | 0.519 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.8 | -41 | 177.8 | -65.8 | 178.9 | -45.5 | 0 | 0 | 111.2 | V107 N286 T290 Q291 L292 | V107-Q288 HydrophobicContact CG1-CB 3.59Å; N286-Q288 PolarHBondContact O-N 3.12Å; N286-Q288 WeakPolarHBondContact OD1-CB 3.36Å; N286-Q288 PolarHBondContact OD1-N 2.99Å; Q288-T290 VanDerWaalsContact C-N 3.3Å; Q288-T290 PolarHBondContact O-N 3.37Å; Q288-Q291 PolarHBondContact O-N 2.67Å; Q288-L292 WeakPolarHBondContact O-CG 3.24Å; Q288-L292 PolarHBondContact O-N 3.06Å |
| 289 | I | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 172.8 | -64.1 | -65.6 | 0 | 0 | 0 | 110 | F104 V107 G108 E110 Y284 N286 P287 Q291 L292 K293 | F104-I289 HydrophobicContact CD1-CD1 4.05Å; F104-I289 HydrophobicContact CE1-CG2 4.42Å; V107-I289 HydrophobicContact CB-CD1 3.82Å; V107-I289 HydrophobicContact CG1-CD1 3.65Å; V107-I289 HydrophobicContact CG1-CG1 3.88Å; G108-I289 WeakPolarHBondContact O-CD1 3.5Å; E110-I289 HydrophobicContact CB-CG2 4.09Å; E110-I289 HydrophobicContact CG-CG1 4.3Å; E110-I289 HydrophobicContact CG-CG2 4.46Å; Y284-I289 HydrophobicContact CD1-CG2 4.01Å; Y284-I289 HydrophobicContact CE1-CG2 4.09Å; N286-I289 HydrophobicContact CB-CB 4.44Å; N286-I289 HydrophobicContact CB-CG1 4.02Å; N286-I289 PolarHBondContact O-N 3.32Å; P287-I289 VanDerWaalsContact C-N 3.34Å; P287-I289 PolarHBondContact O-N 2.89Å; I289-Q291 VanDerWaalsContact C-N 3.31Å; I289-Q291 PolarHBondContact O-N 3.09Å; I289-L292 PolarHBondContact O-N 3.32Å; I289-K293 HydrophobicContact CG2-CG 4.08Å; I289-K293 WeakPolarHBondContact O-CG 3.49Å; I289-K293 PolarHBondContact O-N 3.15Å |
| 290 | T | 91.3 | Very high | 91.1 | Very high | 46 Ų | 46 | 50.5 Ų | 50.5 | 28% | 0.282 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.3 | -44.5 | 177.9 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | Y284 N286 P287 Q288 K293 I294 | Y284-T290 VanDerWaalsContact CB-OG1 3.26Å; Y284-T290 WeakPolarHBondContact CB-OG1 3.36Å; Y284-T290 HydrophobicContact CD2-CG2 4.49Å; N286-T290 PolarHBondContact O-N 3.18Å; P287-T290 WeakPolarHBondContact O-CB 3.47Å; P287-T290 PolarHBondContact O-N 3.11Å; P287-T290 VanDerWaalsContact O-N 3.13Å; Q288-T290 VanDerWaalsContact C-N 3.3Å; Q288-T290 PolarHBondContact O-N 3.37Å; T290-K293 PolarHBondContact O-N 3.27Å; T290-I294 HydrophobicContact CG2-CD1 3.98Å; T290-I294 VanDerWaalsContact O-CG1 3.31Å; T290-I294 WeakPolarHBondContact O-CG1 3.23Å; T290-I294 PolarHBondContact O-N 3.42Å |
| 291 | Q | 90.3 | Very high | 90.1 | Very high | 132 Ų | 132 | 57.4 Ų | 57.4 | 62% | 0.617 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62 | -46.5 | 176.1 | -70.1 | 176.1 | -6.2 | 0 | 0 | 111.9 | P287 Q288 I289 K293 I294 A295 | P287-Q291 WeakPolarHBondContact O-CG 3.29Å; P287-Q291 PolarHBondContact O-N 3.26Å; Q288-Q291 PolarHBondContact O-N 2.67Å; I289-Q291 VanDerWaalsContact C-N 3.31Å; I289-Q291 PolarHBondContact O-N 3.09Å; Q291-K293 VanDerWaalsContact C-N 3.34Å; Q291-K293 PolarHBondContact O-N 3.31Å; Q291-I294 PolarHBondContact O-N 3.4Å; Q291-I294 VanDerWaalsContact O-N 3.15Å; Q291-A295 WeakPolarHBondContact O-CB 3.17Å; Q291-A295 PolarHBondContact O-N 3.07Å |
| 292 | L | 92.9 | Very high | 89.1 | Confident | 27 Ų | 27 | 59.9 Ų | 59.9 | 14% | 0.141 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 175.7 | -71.7 | 176.8 | 0 | 0 | 0 | 112.1 | E103 F104 V107 Q288 I289 I294 A295 A296 | E103-L292 HydrophobicContact CG-CD1 4.2Å; E103-L292 HydrophobicContact CG-CD2 3.97Å; E103-L292 WeakPolarHBondContact OE1-CD2 3.39Å; F104-L292 HydrophobicContact CD1-CB 4.36Å; F104-L292 HydrophobicContact CD1-CD1 4.38Å; F104-L292 HydrophobicContact CE1-CB 3.64Å; F104-L292 HydrophobicContact CE1-CD1 4.47Å; F104-L292 HydrophobicContact CZ-CB 3.77Å; V107-L292 HydrophobicContact CB-CD1 4.42Å; V107-L292 HydrophobicContact CG2-CD1 4.05Å; Q288-L292 WeakPolarHBondContact O-CG 3.24Å; Q288-L292 PolarHBondContact O-N 3.06Å; I289-L292 PolarHBondContact O-N 3.32Å; L292-I294 PolarHBondContact O-N 3.1Å; L292-A295 PolarHBondContact O-N 2.84Å; L292-A296 WeakPolarHBondContact O-CB 3.43Å; L292-A296 PolarHBondContact O-N 3.16Å |
| 293 | K | 93 | Very high | 88.3 | Confident | 8 Ų | 8 | 61.5 Ų | 61.5 | 4% | 0.035 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 175.2 | -61.9 | -76.5 | -178 | 164.5 | 0 | 110.8 | F104 E110 F153 Y284 I289 T290 Q291 N297 | F104-K293 HydrophobicContact CE1-CD 3.64Å; F104-K293 HydrophobicContact CE1-CG 3.94Å; F104-K293 HydrophobicContact CZ-CD 3.93Å; F104-K293 HydrophobicContact CZ-CG 4.35Å; E110-K293 WeakPolarHBondContact O-CE 3.47Å; E110-K293 PolarHBondContact O-NZ 3.09Å; F153-K293 HydrophobicContact CD1-CD 3.71Å; F153-K293 PolarHBondContact O-NZ 2.9Å; Y284-K293 HydrophobicContact CE1-CD 4.39Å; Y284-K293 HydrophobicContact CE1-CG 4.15Å; Y284-K293 HydrophobicContact CE2-CG 4.35Å; Y284-K293 WeakPolarHBondContact OH-CD 3.31Å; Y284-K293 WeakPolarHBondContact OH-CG 3.37Å; I289-K293 HydrophobicContact CG2-CG 4.08Å; I289-K293 WeakPolarHBondContact O-CG 3.49Å; I289-K293 PolarHBondContact O-N 3.15Å; T290-K293 PolarHBondContact O-N 3.27Å; Q291-K293 VanDerWaalsContact C-N 3.34Å; Q291-K293 PolarHBondContact O-N 3.31Å; K293-N297 WeakPolarHBondContact O-CA 3.35Å; K293-N297 WeakPolarHBondContact O-CB 3.33Å; K293-N297 PolarHBondContact O-N 3.31Å |
| 294 | I | 88.1 | Confident | 88 | Confident | 47 Ų | 47 | 64.7 Ų | 64.7 | 24% | 0.241 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 178.6 | -69.5 | 166 | 0 | 0 | 0 | 111.1 | T290 Q291 L292 F303 R304 | T290-I294 HydrophobicContact CG2-CD1 3.98Å; T290-I294 VanDerWaalsContact O-CG1 3.31Å; T290-I294 WeakPolarHBondContact O-CG1 3.23Å; T290-I294 PolarHBondContact O-N 3.42Å; Q291-I294 PolarHBondContact O-N 3.4Å; Q291-I294 VanDerWaalsContact O-N 3.15Å; L292-I294 PolarHBondContact O-N 3.1Å; I294-F303 HydrophobicContact CD1-CB 4.18Å; I294-F303 HydrophobicContact CG1-CB 4.15Å; I294-F303 HydrophobicContact CG2-CB 3.89Å; I294-R304 HydrophobicContact CG2-CG 3.87Å; I294-R304 PolarHBondContact O-NE 3.02Å |
| 295 | A | 89.2 | Confident | 86.7 | Confident | 62 Ų | 62 | 68.2 Ų | 68.2 | 51% | 0.512 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.8 | -46.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q291 L292 R304 | Q291-A295 WeakPolarHBondContact O-CB 3.17Å; Q291-A295 PolarHBondContact O-N 3.07Å; L292-A295 PolarHBondContact O-N 2.84Å; A295-R304 PolarHBondContact O-NE 3.45Å; A295-R304 PolarHBondContact O-NH2 2.97Å |
| 296 | A | 89.4 | Confident | 85 | Confident | 36 Ų | 36 | 71.9 Ų | 71.9 | 30% | 0.298 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -91 | -33.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L100 F153 L292 P298 | L100-A296 HydrophobicContact CD1-CB 3.87Å; L100-A296 HydrophobicContact CD2-CB 4.49Å; F153-A296 HydrophobicContact CE1-CB 3.88Å; F153-A296 VanDerWaalsContact CZ-C 3.49Å; F153-A296 HydrophobicContact CZ-CB 3.79Å; L292-A296 WeakPolarHBondContact O-CB 3.43Å; L292-A296 PolarHBondContact O-N 3.16Å; A296-P298 VanDerWaalsContact O-CD 3.3Å; A296-P298 WeakPolarHBondContact O-CD 3.36Å |
| 297 | N | 89.3 | Confident | 83.3 | Confident | 30 Ų | 30 | 72.6 Ų | 72.6 | 16% | 0.16 | 39% | 0.393 | C | S | . | . | trans | -78.2 | 119.9 | -174.8 | -170.9 | -16.6 | 0 | 0 | 0 | 111.4 | F153 K293 F299 A300 R304 | F153-N297 HydrophobicContact CD1-CB 4.15Å; F153-N297 HydrophobicContact CD2-CB 3.91Å; F153-N297 HydrophobicContact CE1-CB 3.91Å; F153-N297 HydrophobicContact CE2-CB 3.67Å; F153-N297 HydrophobicContact CG-CB 4.16Å; F153-N297 HydrophobicContact CZ-CB 3.67Å; K293-N297 WeakPolarHBondContact O-CA 3.35Å; K293-N297 WeakPolarHBondContact O-CB 3.33Å; K293-N297 PolarHBondContact O-N 3.31Å; N297-F299 PolarHBondContact O-N 2.78Å; N297-F299 WeakPolarHBondContact OD1-CD2 3.43Å; N297-F299 PolarHBondContact OD1-N 3.09Å; N297-A300 HydrophobicContact CB-CB 4.09Å; N297-A300 PolarHBondContact O-N 3.09Å; N297-R304 PolarHBondContact O-NH2 2.8Å; N297-R304 VanDerWaalsContact O-NH2 3.07Å | ||
| 298 | P | 87.3 | Confident | 81.5 | Confident | 91 Ų | 91 | 75.3 Ų | 75.3 | 59% | 0.591 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -57.9 | -33.2 | 177.5 | -25.7 | 36 | 0 | 0 | 0 | 113.5 | A296 A300 K301 | A296-P298 VanDerWaalsContact O-CD 3.3Å; A296-P298 WeakPolarHBondContact O-CD 3.36Å; P298-A300 PolarHBondContact O-N 3.38Å; P298-K301 WeakPolarHBondContact O-CB 3.44Å; P298-K301 PolarHBondContact O-N 3.31Å |
| 299 | F | 80.9 | Confident | 79.6 | Confident | 184 Ų | 184 | 74.7 Ų | 74.7 | 81% | 0.807 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -74.2 | -10.3 | 179.2 | -60.4 | -74.9 | 0 | 0 | 0 | 113.4 | N297 | N297-F299 PolarHBondContact O-N 2.78Å; N297-F299 WeakPolarHBondContact OD1-CD2 3.43Å; N297-F299 PolarHBondContact OD1-N 3.09Å |
| 300 | A | 83.4 | Confident | 77.8 | Confident | 14 Ų | 14 | 78.4 Ų | 78.4 | 12% | 0.116 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -100.5 | 8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N297 P298 G302 F303 | N297-A300 HydrophobicContact CB-CB 4.09Å; N297-A300 PolarHBondContact O-N 3.09Å; P298-A300 PolarHBondContact O-N 3.38Å; A300-G302 PolarHBondContact O-N 3.15Å; A300-G302 VanDerWaalsContact O-N 3.08Å; A300-F303 HydrophobicContact CB-CD2 4.48Å; A300-F303 PolarHBondContact O-N 2.92Å |
| 301 | K | 75.6 | Confident | 76.3 | Confident | 145 Ų | 145 | 82.4 Ų | 82.4 | 63% | 0.63 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -52.6 | -34.8 | -176.6 | -174.4 | 177.8 | 179.7 | 179.7 | 0 | 113.7 | P298 F303 R304 | P298-K301 WeakPolarHBondContact O-CB 3.44Å; P298-K301 PolarHBondContact O-N 3.31Å; K301-F303 PolarHBondContact O-N 3.23Å; K301-R304 WeakPolarHBondContact O-CB 3.14Å; K301-R304 WeakPolarHBondContact O-CG 3.49Å; K301-R304 PolarHBondContact O-N 3.05Å |
| 302 | G | 75.9 | Confident | 75 | Confident | 52 Ų | 52 | 85 Ų | 85 | 54% | 0.536 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -64.1 | -20.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | A300 | A300-G302 PolarHBondContact O-N 3.15Å; A300-G302 VanDerWaalsContact O-N 3.08Å |
| 303 | F | 74.3 | Confident | 73.5 | Confident | 91 Ų | 91 | 90 Ų | 90 | 40% | 0.399 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -90.7 | -11.1 | 178.9 | -60.5 | -79.8 | 0 | 0 | 0 | 113.2 | W129 I294 A300 K301 | W129-F303 AromaticContact CH2-CD1 3.87Å; W129-F303 HydrophobicContact CH2-CD1 3.87Å; W129-F303 AromaticContact CH2-CE1 3.55Å; W129-F303 HydrophobicContact CH2-CE1 3.55Å; W129-F303 HydrophobicContact CZ2-CE1 4.43Å; W129-F303 AromaticContact CZ3-CD1 3.98Å; W129-F303 HydrophobicContact CZ3-CD1 3.98Å; W129-F303 AromaticContact CZ3-CE1 3.67Å; W129-F303 HydrophobicContact CZ3-CE1 3.67Å; I294-F303 HydrophobicContact CD1-CB 4.18Å; I294-F303 HydrophobicContact CG1-CB 4.15Å; I294-F303 HydrophobicContact CG2-CB 3.89Å; A300-F303 HydrophobicContact CB-CD2 4.48Å; A300-F303 PolarHBondContact O-N 2.92Å; K301-F303 PolarHBondContact O-N 3.23Å |
| 304 | R | 84.6 | Confident | 72.2 | Confident | 81 Ų | 81 | 98.6 Ų | 98.6 | 31% | 0.306 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -63.5 | 149.6 | 172.9 | -57.8 | 179.2 | -169.7 | 177.5 | 5.2 | 108.9 | I294 A295 N297 K301 N306 G307 R308 | I294-R304 HydrophobicContact CG2-CG 3.87Å; I294-R304 PolarHBondContact O-NE 3.02Å; A295-R304 PolarHBondContact O-NE 3.45Å; A295-R304 PolarHBondContact O-NH2 2.97Å; N297-R304 PolarHBondContact O-NH2 2.8Å; N297-R304 VanDerWaalsContact O-NH2 3.07Å; K301-R304 WeakPolarHBondContact O-CB 3.14Å; K301-R304 WeakPolarHBondContact O-CG 3.49Å; K301-R304 PolarHBondContact O-N 3.05Å; R304-N306 PolarHBondContact O-N 3.08Å; R304-N306 VanDerWaalsContact O-N 3.14Å; R304-G307 WeakPolarHBondContact O-CA 3.35Å; R304-G307 PolarHBondContact O-N 3.5Å; R304-R308 PolarHBondContact O-N 3.36Å |
| 305 | E | 67.5 | Low | 71.5 | Confident | 136 Ų | 136 | 100.5 Ų | 100.5 | 64% | 0.636 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -54.3 | -37.8 | -174.2 | -153.3 | 147.6 | -130.5 | 0 | 0 | 112.4 | G307 R308 | E305-G307 PolarHBondContact O-N 3.15Å; E305-R308 PolarHBondContact O-N 2.87Å |
| 306 | N | 58.9 | Low | 70.7 | Confident | 130 Ų | 130 | 100 Ų | 100 | 70% | 0.695 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.7 | -29.2 | 175.5 | -55.1 | 39.4 | 0 | 0 | 0 | 113.3 | R304 N309 C310 | R304-N306 PolarHBondContact O-N 3.08Å; R304-N306 VanDerWaalsContact O-N 3.14Å; N306-N309 PolarHBondContact O-N 2.87Å; N306-C310 PolarHBondContact O-N 3.33Å; N306-C310 VanDerWaalsContact O-N 3.1Å; N306-C310 PolarHBondContact O-SG 3.47Å; N306-C310 VanDerWaalsContact O-SG 3.32Å |
| 307 | G | 56.6 | Low | 69.9 | Low | 21 Ų | 21 | 106.4 Ų | 106.4 | 22% | 0.216 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -71.7 | -32 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R304 E305 N309 C310 K311 | R304-G307 WeakPolarHBondContact O-CA 3.35Å; R304-G307 PolarHBondContact O-N 3.5Å; E305-G307 PolarHBondContact O-N 3.15Å; G307-N309 VanDerWaalsContact C-N 3.33Å; G307-C310 PolarHBondContact O-N 2.87Å; G307-K311 PolarHBondContact O-N 3.49Å |
| 308 | R | 55.5 | Low | 69.3 | Low | 138 Ų | 138 | 108.6 Ų | 108.6 | 52% | 0.521 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.3 | -36.6 | 172.4 | -69.4 | -176.6 | -107.1 | 146.8 | -0.1 | 111.5 | R304 E305 R312 | R304-R308 PolarHBondContact O-N 3.36Å; E305-R308 PolarHBondContact O-N 2.87Å; R308-R312 PolarHBondContact O-N 3.36Å |
| 309 | N | 53.3 | Low | 68.7 | Low | 97 Ų | 97 | 110.7 Ų | 110.7 | 52% | 0.519 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.2 | -41.4 | 173.1 | -84.5 | -12.2 | 0 | 0 | 0 | 112.2 | N306 G307 K311 R312 E313 | N306-N309 PolarHBondContact O-N 2.87Å; G307-N309 VanDerWaalsContact C-N 3.33Å; N309-K311 VanDerWaalsContact C-N 3.28Å; N309-K311 PolarHBondContact O-N 3.3Å; N309-R312 PolarHBondContact O-N 3.32Å; N309-E313 WeakPolarHBondContact O-CB 3.41Å; N309-E313 PolarHBondContact O-N 3.06Å |
| 310 | C | 56.5 | Low | 68.4 | Low | 79 Ų | 79 | 111.2 Ų | 111.2 | 53% | 0.534 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.5 | -33.9 | 177.5 | -65.7 | 0 | 0 | 0 | 0 | 113.8 | N306 G307 R314 | N306-C310 PolarHBondContact O-N 3.33Å; N306-C310 VanDerWaalsContact O-N 3.1Å; N306-C310 PolarHBondContact O-SG 3.47Å; N306-C310 VanDerWaalsContact O-SG 3.32Å; G307-C310 PolarHBondContact O-N 2.87Å; C310-R314 WeakPolarHBondContact O-CB 3.48Å; C310-R314 PolarHBondContact O-N 3.05Å |
| 311 | K | 60.5 | Low | 67.7 | Low | 129 Ų | 129 | 118.6 Ų | 118.6 | 56% | 0.561 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.4 | -49.3 | 174.3 | -174 | 178.2 | 176.4 | -178.6 | 0 | 111.2 | G307 N309 E313 R314 D315 | G307-K311 PolarHBondContact O-N 3.49Å; N309-K311 VanDerWaalsContact C-N 3.28Å; N309-K311 PolarHBondContact O-N 3.3Å; K311-E313 VanDerWaalsContact C-N 3.28Å; K311-E313 PolarHBondContact O-N 2.81Å; K311-R314 PolarHBondContact O-N 3.21Å; K311-D315 WeakPolarHBondContact O-CB 3.11Å; K311-D315 PolarHBondContact O-N 3.27Å |
| 312 | R | 62.4 | Low | 67.4 | Low | 187 Ų | 187 | 118.6 Ų | 118.6 | 71% | 0.706 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.7 | -38 | 177.1 | -74.2 | -179.9 | 174.8 | -175.9 | -2.1 | 112.4 | R308 N309 D315 A316 | R308-R312 PolarHBondContact O-N 3.36Å; N309-R312 PolarHBondContact O-N 3.32Å; R312-D315 PolarHBondContact O-N 3.12Å; R312-A316 VanDerWaalsContact O-CB 3.22Å; R312-A316 WeakPolarHBondContact O-CB 3.36Å; R312-A316 PolarHBondContact O-N 2.87Å |
| 313 | E | 61.4 | Low | 66.7 | Low | 133 Ų | 133 | 124.5 Ų | 124.5 | 62% | 0.621 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -73 | -39.3 | 178.6 | -169.9 | 179.1 | -174.8 | 0 | 0 | 111.7 | N309 K311 A316 R317 | N309-E313 WeakPolarHBondContact O-CB 3.41Å; N309-E313 PolarHBondContact O-N 3.06Å; K311-E313 VanDerWaalsContact C-N 3.28Å; K311-E313 PolarHBondContact O-N 2.81Å; E313-A316 PolarHBondContact O-N 3.07Å; E313-R317 VanDerWaalsContact O-CB 3.24Å; E313-R317 WeakPolarHBondContact O-CB 3.33Å; E313-R317 PolarHBondContact O-N 3.06Å |
| 314 | R | 66.8 | Low | 65.9 | Low | 187 Ų | 187 | 122.4 Ų | 122.4 | 71% | 0.706 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.1 | -45.8 | 170.1 | -178.4 | 177.5 | 178.9 | 151.7 | 0.3 | 111.1 | C310 K311 R317 V318 | C310-R314 WeakPolarHBondContact O-CB 3.48Å; C310-R314 PolarHBondContact O-N 3.05Å; K311-R314 PolarHBondContact O-N 3.21Å; R314-R317 PolarHBondContact O-N 3.35Å; R314-V318 WeakPolarHBondContact O-CB 3.22Å; R314-V318 VanDerWaalsContact O-CG2 3.26Å; R314-V318 WeakPolarHBondContact O-CG2 3.41Å; R314-V318 PolarHBondContact O-N 2.84Å |
| 315 | D | 72.3 | Confident | 64.5 | Low | 87 Ų | 87 | 125 Ų | 125 | 47% | 0.465 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.7 | -39.8 | 177.9 | -66.4 | -17.9 | 0 | 0 | 0 | 111 | K311 R312 V318 K319 | K311-D315 WeakPolarHBondContact O-CB 3.11Å; K311-D315 PolarHBondContact O-N 3.27Å; R312-D315 PolarHBondContact O-N 3.12Å; D315-V318 PolarHBondContact O-N 2.79Å; D315-K319 VanDerWaalsContact O-CB 3.26Å; D315-K319 WeakPolarHBondContact O-CB 3.28Å; D315-K319 PolarHBondContact O-N 3.03Å |
| 316 | A | 71.9 | Confident | 63.7 | Low | 51 Ų | 51 | 126.3 Ų | 126.3 | 42% | 0.421 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.4 | -39 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | R312 E313 K319 R320 | R312-A316 VanDerWaalsContact O-CB 3.22Å; R312-A316 WeakPolarHBondContact O-CB 3.36Å; R312-A316 PolarHBondContact O-N 2.87Å; E313-A316 PolarHBondContact O-N 3.07Å; A316-K319 PolarHBondContact O-N 3.44Å; A316-R320 WeakPolarHBondContact O-CB 3.25Å; A316-R320 PolarHBondContact O-N 3.28Å |
| 317 | R | 73.6 | Confident | 63.2 | Low | 172 Ų | 172 | 125 Ų | 125 | 65% | 0.649 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.8 | -37.3 | 177.1 | -167.9 | 174.9 | -176.2 | -172.3 | 0.5 | 111.8 | E313 R314 R320 K321 | E313-R317 VanDerWaalsContact O-CB 3.24Å; E313-R317 WeakPolarHBondContact O-CB 3.33Å; E313-R317 PolarHBondContact O-N 3.06Å; R314-R317 PolarHBondContact O-N 3.35Å; R317-R320 PolarHBondContact O-N 3.15Å; R317-K321 PolarHBondContact O-N 3.14Å |
| 318 | V | 75.8 | Confident | 62.6 | Low | 75 Ų | 75 | 129.1 Ų | 129.1 | 46% | 0.455 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -66 | -44 | 171.7 | 169.9 | 0 | 0 | 0 | 0 | 110.4 | R314 D315 R320 K321 L322 | R314-V318 WeakPolarHBondContact O-CB 3.22Å; R314-V318 VanDerWaalsContact O-CG2 3.26Å; R314-V318 WeakPolarHBondContact O-CG2 3.41Å; R314-V318 PolarHBondContact O-N 2.84Å; D315-V318 PolarHBondContact O-N 2.79Å; V318-R320 VanDerWaalsContact C-N 3.3Å; V318-R320 PolarHBondContact O-N 3.05Å; V318-K321 PolarHBondContact O-N 2.92Å; V318-K321 VanDerWaalsContact O-N 3.14Å; V318-L322 HydrophobicContact CG1-CD1 3.92Å; V318-L322 PolarHBondContact O-N 3.11Å |
| 319 | K | 74.6 | Confident | 62.3 | Low | 135 Ų | 135 | 127 Ų | 127 | 59% | 0.587 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -64.8 | -32.7 | 177.1 | -158.4 | 171.7 | -173.1 | 177.8 | 0 | 112.5 | D315 A316 R323 | D315-K319 VanDerWaalsContact O-CB 3.26Å; D315-K319 WeakPolarHBondContact O-CB 3.28Å; D315-K319 PolarHBondContact O-N 3.03Å; A316-K319 PolarHBondContact O-N 3.44Å; K319-R323 WeakPolarHBondContact O-CB 3.29Å; K319-R323 PolarHBondContact O-N 3.13Å |
| 320 | R | 74.9 | Confident | 61.6 | Low | 196 Ų | 196 | 129.1 Ų | 129.1 | 74% | 0.74 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -74.1 | -29.7 | 172.9 | -167.4 | -176.4 | -66.8 | 158.5 | -1.2 | 112.9 | A316 R317 V318 | A316-R320 WeakPolarHBondContact O-CB 3.25Å; A316-R320 PolarHBondContact O-N 3.28Å; R317-R320 PolarHBondContact O-N 3.15Å; V318-R320 VanDerWaalsContact C-N 3.3Å; V318-R320 PolarHBondContact O-N 3.05Å |
| 321 | K | 69.9 | Low | 60.7 | Low | 169 Ų | 169 | 134.4 Ų | 134.4 | 74% | 0.735 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -75.3 | -29.3 | 172.4 | -78.9 | -172.7 | 173.4 | -162 | 0 | 113.1 | R317 V318 | R317-K321 PolarHBondContact O-N 3.14Å; V318-K321 PolarHBondContact O-N 2.92Å; V318-K321 VanDerWaalsContact O-N 3.14Å |
| 322 | L | 68.8 | Low | 59.7 | Low | 145 Ų | 145 | 132.7 Ų | 132.7 | 76% | 0.759 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -79.6 | -28 | 174.9 | -75.2 | 162.4 | 0 | 0 | 0 | 112.7 | V318 G324 | V318-L322 HydrophobicContact CG1-CD1 3.92Å; V318-L322 PolarHBondContact O-N 3.11Å; L322-G324 PolarHBondContact O-N 2.88Å |
| 323 | R | 61.7 | Low | 58.3 | Low | 176 Ų | 176 | 134.7 Ų | 134.7 | 66% | 0.664 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -83.7 | 86.6 | 169.8 | -149.2 | -172.9 | -61.2 | -108.9 | 10.5 | 107.3 | K319 | K319-R323 WeakPolarHBondContact O-CB 3.29Å; K319-R323 PolarHBondContact O-N 3.13Å |
| 324 | G | 57.6 | Low | 56.8 | Low | 47 Ų | 47 | 131.8 Ų | 131.8 | 49% | 0.485 | 70% | 0.704 | S | S | . | * | P | Polyproline II helix | trans | -55.3 | 171.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L322 E326 | L322-G324 PolarHBondContact O-N 2.88Å; G324-E326 PolarHBondContact O-N 3.21Å; G324-E326 VanDerWaalsContact O-N 3.14Å |
| 325 | P | 53.9 | Low | 55.4 | Low | 134 Ų | 134 | 128.7 Ų | 128.7 | 87% | 0.87 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 121.1 | 179.6 | 26.8 | -32.6 | 0 | 0 | 0 | 109.3 | ||
| 326 | E | 50.1 | Low | 53.4 | Low | 165 Ų | 165 | 128 Ų | 128 | 77% | 0.771 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 136.1 | 173.2 | -95.8 | -83.8 | 139.8 | 0 | 0 | 109.5 | G324 A328 | G324-E326 PolarHBondContact O-N 3.21Å; G324-E326 VanDerWaalsContact O-N 3.14Å; E326-A328 PolarHBondContact O-N 3.39Å |
| 327 | P | 48.6 | Very low | 51.5 | Low | 101 Ų | 101 | 133.7 Ų | 133.7 | 66% | 0.656 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 130.9 | 172.5 | 28.9 | -30 | 0 | 0 | 0 | 109.2 | A329 | P327-A329 PolarHBondContact O-N 2.91Š|
| 328 | A | 44.7 | Very low | 49.6 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 89% | 0.893 | 76% | 0.755 | S | S | * | * | trans | -58.4 | 106.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | E326 | E326-A328 PolarHBondContact O-N 3.39Š| ||
| 329 | A | 49.3 | Very low | 48.3 | Very low | 94 Ų | 94 | 134.3 Ų | 134.3 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | trans | -92.4 | 110.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | P327 | P327-A329 PolarHBondContact O-N 2.91Š| ||
| 330 | T | 38.3 | Very low | 46.1 | Very low | 141 Ų | 141 | 131.7 Ų | 131.7 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | -149 | 116.6 | 148.6 | -30.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 331 | E | 37.6 | Very low | 44.1 | Very low | 190 Ų | 190 | 125.8 Ų | 125.8 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | trans | -67 | 155.1 | 174.4 | -62.1 | -163.4 | 149.8 | 0 | 0 | 112.1 | ||||
| 332 | A | 38.9 | Very low | 42.9 | Very low | 93 Ų | 93 | 123.3 Ų | 123.3 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -84.3 | 142.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 333 | Y | 33.7 | Very low | 41.3 | Very low | 230 Ų | 230 | 122 Ų | 122 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | 149.8 | 130.2 | 120 | -146.5 | -95.8 | 0 | 0 | 0 | 112 | |||||
| 334 | G | 30.7 | Very low | 39.7 | Very low | 71 Ų | 71 | 120.8 Ų | 120.8 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | trans | 152.6 | 83.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 335 | S | 35.6 | Very low | 38.6 | Very low | 123 Ų | 123 | 123.2 Ų | 123.2 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -60.2 | 151.7 | 172.7 | -67.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 336 | G | 30.7 | Very low | 37.7 | Very low | 72 Ų | 72 | 122 Ų | 122 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | 156.2 | 102 | 152.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 337 | D | 31.7 | Very low | 37.1 | Very low | 170 Ų | 170 | 122.3 Ų | 122.3 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | 77.6 | 126.1 | 157.1 | -71.1 | -19.2 | 0 | 0 | 0 | 123.4 | ||||
| 338 | T | 35.2 | Very low | 36.2 | Very low | 131 Ų | 131 | 121.4 Ų | 121.4 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -98.9 | -173.6 | 172.2 | 48.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 339 | P | 47.3 | Very low | 35.4 | Very low | 129 Ų | 129 | 120 Ų | 120 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | cis | -135.6 | 165.7 | -2.1 | 31.2 | -9.1 | 0 | 0 | 0 | 115.6 | ||||
| 340 | G | 29.2 | Very low | 34.7 | Very low | 80 Ų | 80 | 122.8 Ų | 122.8 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | 179 | 60.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 341 | G | 31.7 | Very low | 34.6 | Very low | 72 Ų | 72 | 123.8 Ų | 123.8 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | -79.2 | -179.2 | 152.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 342 | P | 46.3 | Very low | 34.4 | Very low | 118 Ų | 118 | 124.4 Ų | 124.4 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | cis | -131.7 | 140.1 | 36.1 | 17.6 | 8 | 0 | 0 | 0 | 114.5 | ||||
| 343 | C | 34.6 | Very low | 34.2 | Very low | 116 Ų | 116 | 127 Ų | 127 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | 34.2 | 130.9 | 103.6 | 77.6 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 344 | D | 28.2 | Very low | 34 | Very low | 152 Ų | 152 | 121.7 Ų | 121.7 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | -162.8 | 149.5 | 110.4 | -151.8 | 1.5 | 0 | 0 | 0 | 113.1 | |||||
| 345 | S | 35.1 | Very low | 34.2 | Very low | 98 Ų | 98 | 125.8 Ų | 125.8 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | trans | -88.9 | 172.4 | -176.7 | -49.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 346 | T | 35 | Very low | 34.8 | Very low | 109 Ų | 109 | 124.9 Ų | 124.9 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | 159.4 | 155.9 | 80 | -44.1 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 347 | L | 37.2 | Very low | 34.9 | Very low | 170 Ų | 170 | 128.3 Ų | 128.3 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | 83.1 | 130.7 | 157.3 | -49 | 174.7 | 0 | 0 | 0 | 116.9 | ||||
| 348 | G | 28.4 | Very low | 34.9 | Very low | 83 Ų | 83 | 128 Ų | 128 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | cis | 137.8 | 133.7 | 11.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 349 | G | 29.6 | Very low | 34.8 | Very low | 79 Ų | 79 | 125.9 Ų | 125.9 | 81% | 0.814 | 78% | 0.775 | S | S | * | * | trans | 152.4 | 107.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 350 | D | 33.3 | Very low | 34.2 | Very low | 152 Ų | 152 | 125.9 Ų | 125.9 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | -69.5 | 161.7 | -174.9 | -62 | -71.9 | 0 | 0 | 0 | 117.5 | ||||
| 351 | I | 35.8 | Very low | 34.5 | Very low | 162 Ų | 162 | 126.5 Ų | 126.5 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | -175.6 | 105.5 | 114.6 | -83.4 | 154 | 0 | 0 | 0 | 111 | |||||
| 352 | R | 35.2 | Very low | 35 | Very low | 202 Ų | 202 | 129.3 Ų | 129.3 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | 32.8 | 118.6 | 132.7 | -54.4 | -172.4 | 83.2 | 164.3 | 4.5 | 120.6 | ||||
| 353 | E | 33 | Very low | 34.3 | Very low | 149 Ų | 149 | 127.4 Ų | 127.4 | 70% | 0.696 | 78% | 0.779 | S | S | * | * | 78.9 | 114 | 89.8 | -123.5 | -179.5 | 150.6 | 0 | 0 | 112.6 | |||||
| 354 | S | 31.2 | Very low | 34.2 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | -171.8 | 136 | 87.1 | -50 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 355 | D | 34.3 | Very low | 34.3 | Very low | 156 Ų | 156 | 128.4 Ų | 128.4 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | -97.2 | 173.5 | 153.7 | -112.1 | -28.8 | 0 | 0 | 0 | 107.5 | ||||
| 356 | P | 48.9 | Very low | 33.9 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 68% | 0.675 | 79% | 0.792 | S | S | * | * | cis | -156.2 | -179.7 | 41.1 | 42.2 | -18.3 | 0 | 0 | 0 | 119.3 | ||||
| 357 | E | 31.6 | Very low | 33.6 | Very low | 145 Ų | 145 | 129.7 Ų | 129.7 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | trans | 80.8 | 119.3 | 137.1 | -112.8 | 175.5 | 112.2 | 0 | 0 | 124.8 | ||||
| 358 | Q | 31.3 | Very low | 33.3 | Very low | 163 Ų | 163 | 126.2 Ų | 126.2 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | 103 | 119.7 | 123.3 | -138.4 | 137.5 | 67.2 | 0 | 0 | 120.8 | |||||
| 359 | A | 33.3 | Very low | 33.7 | Very low | 86 Ų | 86 | 128.2 Ų | 128.2 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | -82.9 | 161.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 360 | P | 35.2 | Very low | 33.9 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | -131.4 | 158 | 134.3 | 32.6 | -18.5 | 0 | 0 | 0 | 113.9 | ||||
| 361 | A | 36 | Very low | 33.9 | Very low | 94 Ų | 94 | 127.6 Ų | 127.6 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | -79.3 | 177.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 362 | P | 41.3 | Very low | 33.6 | Very low | 131 Ų | 131 | 127.6 Ų | 127.6 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 145.2 | -157.3 | 35.3 | -33.6 | 0 | 0 | 0 | 113.9 | ||
| 363 | G | 32.3 | Very low | 33.3 | Very low | 78 Ų | 78 | 124.4 Ų | 124.4 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 134.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 364 | E | 31.8 | Very low | 32.9 | Very low | 202 Ų | 202 | 121.4 Ų | 121.4 | 94% | 0.944 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 138.2 | 164.7 | -76.6 | 168.6 | 106 | 0 | 0 | 112.1 | ||
| 365 | A | 30.6 | Very low | 32.8 | Very low | 86 Ų | 86 | 119.1 Ų | 119.1 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | -165 | 105.3 | 147.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 366 | T | 27.3 | Very low | 32.9 | Very low | 145 Ų | 145 | 118 Ų | 118 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | 67.5 | 137.3 | 126.1 | -13.7 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 367 | A | 28.3 | Very low | 32 | Very low | 90 Ų | 90 | 116.9 Ų | 116.9 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | trans | -86.5 | 161.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 368 | A | 30.1 | Very low | 32 | Very low | 96 Ų | 96 | 114.6 Ų | 114.6 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | trans | 84.6 | 157.9 | 151.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 369 | P | 36.9 | Very low | 32 | Very low | 126 Ų | 126 | 113.9 Ų | 113.9 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | cis | -127.4 | 166.9 | 0.5 | 34.6 | -15.6 | 0 | 0 | 0 | 115.9 | ||||
| 370 | A | 34.5 | Very low | 31.9 | Very low | 87 Ų | 87 | 113.9 Ų | 113.9 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 158.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 371 | P | 33.4 | Very low | 31.9 | Very low | 130 Ų | 130 | 118.1 Ų | 118.1 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 126.6 | 152.9 | 15.4 | 1.7 | 0 | 0 | 0 | 110.7 | ||
| 372 | L | 28.2 | Very low | 32 | Very low | 163 Ų | 163 | 120.7 Ų | 120.7 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 145 | 164.3 | -85.4 | 162.6 | 0 | 0 | 0 | 109.7 | ||
| 373 | C | 29.1 | Very low | 31.6 | Very low | 135 Ų | 135 | 121.9 Ų | 121.9 | 91% | 0.912 | 80% | 0.795 | S | S | * | * | trans | 138.1 | 116.9 | 157.6 | -79.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 374 | G | 25.7 | Very low | 31.4 | Very low | 85 Ų | 85 | 126.1 Ų | 126.1 | 88% | 0.876 | 79% | 0.794 | S | S | * | * | cis | 117.3 | 100.1 | 28.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 375 | G | 29.5 | Very low | 31.6 | Very low | 71 Ų | 71 | 123.2 Ų | 123.2 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | trans | 164.5 | 144.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 376 | P | 35.1 | Very low | 31.7 | Very low | 133 Ų | 133 | 122.5 Ų | 122.5 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | -85 | 151.2 | -125.1 | 30.5 | -35.1 | 0 | 0 | 0 | 115.9 | A378 | P376-A378 PolarHBondContact O-N 3.46Š| |||
| 377 | S | 30 | Very low | 32 | Very low | 80 Ų | 80 | 119.7 Ų | 119.7 | 56% | 0.559 | 78% | 0.778 | S | S | * | * | trans | -42.7 | 122.9 | 170.5 | -178.9 | 0 | 0 | 0 | 0 | 113.7 | E379 | S377-E379 PolarHBondContact O-N 3.49Å; S377-E379 WeakPolarHBondContact OG-CB 3.36Å; S377-E379 WeakPolarHBondContact OG-CG 3.2Å; S377-E379 PolarHBondContact OG-N 3.37Å; S377-E379 VanDerWaalsContact OG-N 3.09Å | ||
| 378 | A | 32.5 | Very low | 32.4 | Very low | 96 Ų | 96 | 124.4 Ų | 124.4 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 26 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P376 A380 | P376-A378 PolarHBondContact O-N 3.46Å; A378-A380 VanDerWaalsContact C-N 3.34Å |
| 379 | E | 31 | Very low | 32.6 | Very low | 149 Ų | 149 | 128.6 Ų | 128.6 | 70% | 0.696 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -0.7 | 172.3 | -67.5 | -168.6 | 131.8 | 0 | 0 | 113.8 | S377 Y381 | S377-E379 PolarHBondContact O-N 3.49Å; S377-E379 WeakPolarHBondContact OG-CB 3.36Å; S377-E379 WeakPolarHBondContact OG-CG 3.2Å; S377-E379 PolarHBondContact OG-N 3.37Å; S377-E379 VanDerWaalsContact OG-N 3.09Å; E379-Y381 VanDerWaalsContact C-N 3.3Å; E379-Y381 PolarHBondContact O-N 3.32Å |
| 380 | A | 31.5 | Very low | 32.3 | Very low | 85 Ų | 85 | 126.7 Ų | 126.7 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -2.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | A378 | A378-A380 VanDerWaalsContact C-N 3.34Š|
| 381 | Y | 34.8 | Very low | 32.2 | Very low | 218 Ų | 218 | 126.9 Ų | 126.9 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 7.2 | 179.5 | -73.6 | -74.4 | 0 | 0 | 0 | 114.8 | E379 | E379-Y381 VanDerWaalsContact C-N 3.3Å; E379-Y381 PolarHBondContact O-N 3.32Å |
| 382 | L | 37.5 | Very low | 32.2 | Very low | 149 Ų | 149 | 126.7 Ų | 126.7 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | trans | -100.9 | 25 | -178.4 | -70.6 | 178.5 | 0 | 0 | 0 | 114.8 | ||||
| 383 | L | 32.7 | Very low | 32.6 | Very low | 155 Ų | 155 | 124 Ų | 124 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | -127.9 | 75 | 176.2 | -73.9 | 167.3 | 0 | 0 | 0 | 111.9 | ||||
| 384 | H | 28.9 | Very low | 32.8 | Very low | 167 Ų | 167 | 126.7 Ų | 126.7 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | 175.7 | 112.7 | 133.7 | -115.4 | -81.3 | 0 | 0 | 0 | 112.2 | A386 | H384-A386 PolarHBondContact O-N 3.25Š| ||
| 385 | P | 35.5 | Very low | 33.1 | Very low | 141 Ų | 141 | 130.9 Ų | 130.9 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | trans | -95.6 | 36.7 | 171.4 | 28.1 | -17.2 | 0 | 0 | 0 | 113.6 | ||||
| 386 | A | 33.5 | Very low | 33.4 | Very low | 72 Ų | 72 | 133 Ų | 133 | 60% | 0.595 | 79% | 0.785 | S | S | * | * | trans | -119.1 | 25 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | H384 | H384-A386 PolarHBondContact O-N 3.25Š| ||
| 387 | A | 33.1 | Very low | 33.3 | Very low | 85 Ų | 85 | 133.4 Ų | 133.4 | 70% | 0.702 | 79% | 0.785 | S | S | * | * | trans | -112.2 | 38 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 388 | F | 36.8 | Very low | 33.2 | Very low | 189 Ų | 189 | 141 Ų | 141 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | trans | -142.6 | 55.2 | 170.2 | -81.8 | -78.6 | 0 | 0 | 0 | 111.5 | ||||
| 389 | H | 34.8 | Very low | 33 | Very low | 184 Ų | 184 | 140.9 Ų | 140.9 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | trans | -133.4 | 113 | 156.6 | -71.6 | -66.4 | 0 | 0 | 0 | 108 | A391 | H389-A391 PolarHBondContact O-N 3.09Š| ||
| 390 | G | 31 | Very low | 33.2 | Very low | 86 Ų | 86 | 140 Ų | 140 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | trans | -61.8 | 125.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 391 | A | 31 | Very low | 33.1 | Very low | 92 Ų | 92 | 140.7 Ų | 140.7 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | trans | -106.4 | 139.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | H389 | H389-A391 PolarHBondContact O-N 3.09Š| ||
| 392 | P | 34.9 | Very low | 33 | Very low | 126 Ų | 126 | 140.5 Ų | 140.5 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -75.1 | 148.9 | 176.1 | 31.5 | -32.5 | 0 | 0 | 0 | 111.1 | ||||
| 393 | S | 35.6 | Very low | 33.3 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | -57.2 | 123.2 | 175.3 | 39.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 394 | H | 33.3 | Very low | 33.2 | Very low | 191 Ų | 191 | 140.5 Ų | 140.5 | 88% | 0.884 | 81% | 0.808 | S | S | * | * | trans | -159.7 | 109.2 | 144.8 | -97 | -77.5 | 0 | 0 | 0 | 109.1 | ||||
| 395 | L | 33.1 | Very low | 33.5 | Very low | 173 Ų | 173 | 137 Ų | 137 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | trans | -89.1 | 136.9 | 167.6 | -76.5 | 165 | 0 | 0 | 0 | 109.2 | ||||
| 396 | P | 35.4 | Very low | 34.1 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | trans | -104.9 | 128.2 | 148.9 | 28.6 | -16.3 | 0 | 0 | 0 | 110.3 | ||||
| 397 | T | 32.9 | Very low | 34 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | trans | -48.2 | 128.3 | 166.3 | -40.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 398 | R | 27.4 | Very low | 34.1 | Very low | 239 Ų | 239 | 141.1 Ų | 141.1 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | -143 | 116.8 | 158.9 | -166.6 | 172.4 | 173.4 | -179.4 | -2.5 | 110.8 | ||||
| 399 | S | 28.9 | Very low | 33.8 | Very low | 93 Ų | 93 | 135.7 Ų | 135.7 | 65% | 0.65 | 81% | 0.813 | S | S | * | * | trans | -52.6 | 145.4 | 173.9 | -37.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 400 | P | 34.9 | Very low | 33.6 | Very low | 132 Ų | 132 | 139 Ų | 139 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | trans | -88.4 | 129.5 | 167 | 33.8 | -26.8 | 0 | 0 | 0 | 109.4 | ||||
| 401 | S | 29.8 | Very low | 33.6 | Very low | 99 Ų | 99 | 139.8 Ų | 139.8 | 69% | 0.692 | 81% | 0.81 | S | S | * | * | trans | -142.8 | 102.3 | 169.4 | 52.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 402 | F | 31.7 | Very low | 33.5 | Very low | 214 Ų | 214 | 140 Ų | 140 | 94% | 0.939 | 81% | 0.811 | S | S | * | * | trans | -147.7 | 148.9 | 148.8 | -98.3 | -81.1 | 0 | 0 | 0 | 109.1 | ||||
| 403 | P | 43.3 | Very low | 34.4 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | trans | -96.4 | 164.9 | -152.1 | 38 | -33.2 | 0 | 0 | 0 | 114.3 | ||||
| 404 | E | 30.6 | Very low | 34.1 | Very low | 185 Ų | 185 | 145.2 Ų | 145.2 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | -66.4 | 146.7 | 177.1 | -168.9 | -179.8 | 134.8 | 0 | 0 | 114.4 | ||||
| 405 | A | 35 | Very low | 34 | Very low | 93 Ų | 93 | 139.6 Ų | 139.6 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -171.1 | 154.4 | 148.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 406 | P | 48.2 | Very low | 33.8 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | -125.3 | 178.1 | -129.3 | 41.6 | -29.5 | 0 | 0 | 0 | 117.3 | |||||
| 407 | D | 32.8 | Very low | 33.6 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | 67.2 | 119.9 | 149.6 | -82.9 | -17 | 0 | 0 | 0 | 122.6 | ||||
| 408 | S | 34.5 | Very low | 33.2 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | -173.2 | 122.7 | 118.1 | 33.9 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 409 | G | 30.6 | Very low | 33.5 | Very low | 74 Ų | 74 | 133.3 Ų | 133.3 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | trans | -88.3 | 160 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 410 | R | 31.8 | Very low | 33.4 | Very low | 255 Ų | 255 | 137.2 Ų | 137.2 | 96% | 0.962 | 79% | 0.794 | S | S | * | * | -177.4 | 157.2 | 125.3 | -112.5 | 177.9 | 170.2 | -172.4 | -2.7 | 111.7 | |||||
| 411 | S | 29.5 | Very low | 33.2 | Very low | 102 Ų | 102 | 139 Ų | 139 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | trans | -79.5 | 138.1 | -162.1 | 50 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 412 | A | 29.9 | Very low | 33.9 | Very low | 95 Ų | 95 | 139.9 Ų | 139.9 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | 48.4 | 174.8 | 128.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 413 | P | 53.7 | Low | 33.9 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | cis | -141.2 | -166.2 | -0.7 | 37.9 | -15.5 | 0 | 0 | 0 | 115.7 | ||||
| 414 | Y | 27.9 | Very low | 33.3 | Very low | 225 Ų | 225 | 137.2 Ų | 137.2 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | trans | 91.4 | 128.1 | 162.8 | -132 | -110.5 | 0 | 0 | 0 | 115.7 | ||||
| 415 | S | 31.7 | Very low | 33.5 | Very low | 73 Ų | 73 | 134.7 Ų | 134.7 | 51% | 0.51 | 80% | 0.802 | S | S | . | * | cis | -169.3 | 156.7 | 6.8 | -128.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 416 | A | 28.5 | Very low | 33.3 | Very low | 94 Ų | 94 | 134 Ų | 134 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | trans | 60.1 | 143.3 | 141.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 417 | A | 31.2 | Very low | 32.6 | Very low | 88 Ų | 88 | 132.5 Ų | 132.5 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | cis | -166.8 | 129.7 | -10.8 | 0 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 418 | F | 25.8 | Very low | 32.6 | Very low | 198 Ų | 198 | 131.7 Ų | 131.7 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | trans | -109.6 | 105.8 | 165.7 | -164.1 | -92.4 | 0 | 0 | 0 | 106.5 | ||||
| 419 | L | 32.5 | Very low | 32.6 | Very low | 157 Ų | 157 | 129 Ų | 129 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -92 | 119.2 | 165.7 | -84.4 | 161.9 | 0 | 0 | 0 | 106.7 | ||||
| 420 | E | 28.2 | Very low | 33 | Very low | 175 Ų | 175 | 136.1 Ų | 136.1 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | 177.5 | 119 | 131.1 | -97.9 | 174.7 | 179.2 | 0 | 0 | 111.3 | ||||
| 421 | L | 30.4 | Very low | 34 | Very low | 170 Ų | 170 | 130.2 Ų | 130.2 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | trans | -143.3 | 161.7 | 158.9 | -79.5 | 174.8 | 0 | 0 | 0 | 104.9 | ||||
| 422 | P | 44.6 | Very low | 34.4 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | cis | -133.8 | 164.3 | -8.6 | 30.9 | -10.3 | 0 | 0 | 0 | 114 | ||||
| 423 | H | 31.9 | Very low | 34.7 | Very low | 201 Ų | 201 | 129.8 Ų | 129.8 | 93% | 0.931 | 81% | 0.808 | S | S | * | * | trans | -89.1 | 127.8 | 161 | -80.3 | -82 | 0 | 0 | 0 | 110.6 | ||||
| 424 | G | 30.6 | Very low | 34.5 | Very low | 75 Ų | 75 | 129.9 Ų | 129.9 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -101.3 | 118.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 425 | S | 33.8 | Very low | 35.5 | Very low | 133 Ų | 133 | 125.1 Ų | 125.1 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | trans | 36 | 130.3 | 135.7 | -161.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 426 | G | 31.3 | Very low | 36 | Very low | 78 Ų | 78 | 126.4 Ų | 126.4 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | 141.9 | 117.6 | 147.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 427 | G | 32.5 | Very low | 36.5 | Very low | 76 Ų | 76 | 128.3 Ų | 128.3 | 78% | 0.784 | 82% | 0.822 | S | S | * | * | cis | 146.9 | 142 | 10.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 428 | S | 34.7 | Very low | 37 | Very low | 137 Ų | 137 | 129.8 Ų | 129.8 | 96% | 0.958 | 82% | 0.824 | S | S | * | * | trans | 87.5 | 128.1 | 175.5 | -158.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 429 | G | 33.5 | Very low | 37.4 | Very low | 67 Ų | 67 | 130.2 Ų | 130.2 | 69% | 0.691 | 83% | 0.826 | S | S | * | * | cis | 177.8 | 129.7 | 1 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 430 | Y | 38.7 | Very low | 37.5 | Very low | 225 Ų | 225 | 126.2 Ų | 126.2 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | trans | -79.1 | 167.2 | 175.4 | -75.9 | -85.9 | 0 | 0 | 0 | 111.3 | ||||
| 431 | P | 52.1 | Low | 37.9 | Very low | 131 Ų | 131 | 123.9 Ų | 123.9 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | -129.8 | 154.1 | 100.4 | 35.7 | -26.6 | 0 | 0 | 0 | 113.7 | |||||
| 432 | A | 39.6 | Very low | 38.1 | Very low | 95 Ų | 95 | 123.9 Ų | 123.9 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -93.6 | 154.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 433 | A | 35.8 | Very low | 37.4 | Very low | 93 Ų | 93 | 127.6 Ų | 127.6 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | trans | -171.7 | 167.3 | 147.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 434 | P | 49.8 | Very low | 37.5 | Very low | 120 Ų | 120 | 125.2 Ų | 125.2 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | -123 | -176.1 | -70.8 | 38.2 | -21.1 | 0 | 0 | 0 | 111.4 | |||||
| 435 | P | 47.6 | Very low | 37.5 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | trans | -92.3 | 168.7 | -157.5 | 37.2 | -33.7 | 0 | 0 | 0 | 115.8 | ||||
| 436 | A | 43 | Very low | 37.3 | Very low | 100 Ų | 100 | 127.6 Ų | 127.6 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | trans | -71 | 147.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 437 | V | 39.1 | Very low | 37.4 | Very low | 134 Ų | 134 | 127.2 Ų | 127.2 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -142.5 | 149.5 | 158.7 | -119 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 438 | P | 41.7 | Very low | 37.7 | Very low | 119 Ų | 119 | 129.6 Ų | 129.6 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 140 | -157 | 35.9 | -33 | 0 | 0 | 0 | 112.2 | ||
| 439 | F | 34.2 | Very low | 37.7 | Very low | 208 Ų | 208 | 133 Ų | 133 | 91% | 0.912 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 120.4 | 170.7 | -103.7 | -91.5 | 0 | 0 | 0 | 110.8 | ||
| 440 | A | 34.9 | Very low | 38.1 | Very low | 73 Ų | 73 | 135.3 Ų | 135.3 | 60% | 0.603 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 144.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 441 | P | 35.7 | Very low | 38 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 121.7 | 169 | 33.1 | -25.5 | 0 | 0 | 0 | 110.3 | ||
| 442 | H | 34.3 | Very low | 37.4 | Very low | 171 Ų | 171 | 132.2 Ų | 132.2 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 118.9 | 162.2 | -78.7 | -76.4 | 0 | 0 | 0 | 109.9 | ||
| 443 | F | 31.3 | Very low | 36.9 | Very low | 193 Ų | 193 | 138 Ų | 138 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | 20.5 | 125.8 | 141.4 | -86.2 | -95 | 0 | 0 | 0 | 119.8 | ||||
| 444 | L | 33.2 | Very low | 36.7 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | -171.5 | 105.2 | 122.7 | -90 | 167.3 | 0 | 0 | 0 | 105.8 | |||||
| 445 | Q | 30.5 | Very low | 35.9 | Very low | 181 Ų | 181 | 138.8 Ų | 138.8 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | 88.5 | 119.5 | 91.5 | -167.1 | 167.8 | 19.3 | 0 | 0 | 113.2 | |||||
| 446 | G | 30.1 | Very low | 36 | Very low | 77 Ų | 77 | 138.8 Ų | 138.8 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | 130.2 | 82.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 447 | G | 32.8 | Very low | 35.4 | Very low | 70 Ų | 70 | 138 Ų | 138 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | -76.8 | 175.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 448 | P | 39.2 | Very low | 34.9 | Very low | 126 Ų | 126 | 135.1 Ų | 135.1 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -99.6 | 151.2 | -159.3 | 36.9 | -31.5 | 0 | 0 | 0 | 113.9 | ||||
| 449 | F | 35 | Very low | 34.5 | Very low | 208 Ų | 208 | 139.8 Ų | 139.8 | 91% | 0.912 | 81% | 0.81 | S | S | * | * | trans | -110.5 | 132.6 | 163.3 | -87 | -80.1 | 0 | 0 | 0 | 110.8 | ||||
| 450 | P | 41 | Very low | 34.5 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -97.5 | 164.4 | 160.9 | 35.3 | -26.9 | 0 | 0 | 0 | 112.6 | ||||
| 451 | L | 37.7 | Very low | 34.4 | Very low | 168 Ų | 168 | 139.6 Ų | 139.6 | 88% | 0.88 | 81% | 0.807 | S | S | * | * | trans | -49.9 | 162.7 | 178.8 | -59.4 | 161.7 | 0 | 0 | 0 | 115.8 | ||||
| 452 | P | 38.8 | Very low | 34.3 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | trans | -123.6 | 134.6 | 145.4 | 34 | -20.9 | 0 | 0 | 0 | 113.5 | ||||
| 453 | Y | 29 | Very low | 34.2 | Very low | 218 Ų | 218 | 135.2 Ų | 135.2 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | trans | -86.6 | 143.4 | 146.7 | -105.1 | -93.3 | 0 | 0 | 0 | 107.8 | ||||
| 454 | T | 31.2 | Very low | 34.5 | Very low | 140 Ų | 140 | 131 Ų | 131 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | 171.8 | 130.9 | 117 | 33.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 455 | A | 34.3 | Very low | 34.8 | Very low | 88 Ų | 88 | 133.1 Ų | 133.1 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -73.3 | 165.8 | 149.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 456 | P | 48.5 | Very low | 36 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | cis | -155.2 | 164.8 | 42.3 | 38.8 | -15.7 | 0 | 0 | 0 | 118.9 | ||||
| 457 | G | 30.8 | Very low | 36.3 | Very low | 83 Ų | 83 | 131.4 Ų | 131.4 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | 85.5 | 134.9 | 130.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 458 | G | 28.7 | Very low | 37.1 | Very low | 73 Ų | 73 | 138.2 Ų | 138.2 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | trans | 132.5 | 95.6 | 139.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 459 | Y | 32.3 | Very low | 37 | Very low | 218 Ų | 218 | 138.9 Ų | 138.9 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | 75.1 | 145.2 | 124.6 | -127.4 | -112.4 | 0 | 0 | 0 | 122.6 | |||||
| 460 | L | 34.8 | Very low | 37.1 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 70% | 0.702 | 82% | 0.818 | S | S | * | * | trans | 85.3 | 112.3 | 167.5 | -55.1 | 171.8 | 0 | 0 | 0 | 116.4 | ||||
| 461 | D | 34.1 | Very low | 36.8 | Very low | 142 Ų | 142 | 136.3 Ų | 136.3 | 76% | 0.759 | 82% | 0.821 | S | S | * | * | 80.6 | 143.8 | 56.3 | -162.1 | 27 | 0 | 0 | 0 | 113.3 | |||||
| 462 | V | 32.2 | Very low | 36.8 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 78% | 0.782 | 82% | 0.818 | S | S | * | * | trans | 86.6 | 118.4 | 174.7 | -172.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 463 | G | 32.5 | Very low | 36.7 | Very low | 75 Ų | 75 | 135.1 Ų | 135.1 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | trans | 177.9 | 48.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 464 | S | 37 | Very low | 37.2 | Very low | 105 Ų | 105 | 129.6 Ų | 129.6 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | trans | -53.4 | 154.6 | 177.3 | -47.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 465 | K | 40.3 | Very low | 37.6 | Very low | 195 Ų | 195 | 128.9 Ų | 128.9 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | trans | 88.1 | 157.7 | 149.2 | -72.2 | 177.8 | 176.1 | 178.5 | 0 | 119 | ||||
| 466 | P | 55.8 | Low | 37.9 | Very low | 105 Ų | 105 | 132 Ų | 132 | 68% | 0.682 | 82% | 0.82 | S | S | * | * | cis | -142.9 | -169.7 | -45.6 | 39.3 | -20.7 | 0 | 0 | 0 | 113 | ||||
| 467 | C | 37.3 | Very low | 37 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | trans | 80.8 | 123.5 | 163.7 | -57.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 468 | T | 48 | Very low | 37.6 | Very low | 214 Ų | 214 | 137 Ų | 137 | 100% | 1.313 | 82% | 0.817 | S | S | * | * | cis | -150.2 | 0 | 25 | 31.7 | 0 | 0 | 0 | 0 | 110.4 |
Retrieved 468 of 468 residues in 67.7 ms
(Link to these results)