| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.2 | Very low | 38.6 | Very low | 240 Ų | 240 | 179.4 Ų | 179.4 | 100% | 1.182 | 88% | 0.877 | S | S | * | * | 0 | 153.7 | 0 | -58.2 | 178.5 | -165.2 | 0 | 0 | 108.3 | |||||
| 2 | A | 39.3 | Very low | 38.5 | Very low | 89 Ų | 89 | 181.5 Ų | 181.5 | 74% | 0.736 | 88% | 0.878 | S | S | * | * | trans | 44.2 | 134.1 | 146.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 3 | L | 38.7 | Very low | 38.1 | Very low | 165 Ų | 165 | 185.7 Ų | 185.7 | 86% | 0.864 | 88% | 0.879 | S | S | * | * | cis | -157.5 | 166.7 | 2.8 | -111 | 164.3 | 0 | 0 | 0 | 110 | ||||
| 4 | E | 46.4 | Very low | 37.6 | Very low | 192 Ų | 192 | 179.4 Ų | 179.4 | 90% | 0.897 | 87% | 0.865 | S | S | * | * | trans | -76.2 | 158.4 | 177.6 | -60 | 173.3 | 93.9 | 0 | 0 | 113.3 | ||||
| 5 | G | 39.2 | Very low | 37.7 | Very low | 72 Ų | 72 | 174.3 Ų | 174.3 | 74% | 0.742 | 85% | 0.849 | S | S | * | * | trans | -171.6 | 80.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 6 | M | 37.6 | Very low | 37.7 | Very low | 171 Ų | 171 | 173.6 Ų | 173.6 | 84% | 0.842 | 84% | 0.844 | S | S | * | * | trans | 66.8 | 121.8 | 140.7 | -52.1 | -175.8 | 82.8 | 0 | 0 | 123.6 | ||||
| 7 | N | 35.3 | Very low | 37.6 | Very low | 130 Ų | 130 | 174.1 Ų | 174.1 | 70% | 0.695 | 84% | 0.844 | S | S | * | * | trans | 66.4 | 105.3 | 132.4 | -73.3 | -33.8 | 0 | 0 | 0 | 124.1 | ||||
| 8 | K | 44.3 | Very low | 37.3 | Very low | 199 Ų | 199 | 168.7 Ų | 168.7 | 87% | 0.865 | 84% | 0.841 | S | S | * | * | 14.6 | 112 | 128 | -65.1 | 177.6 | 178.8 | 174.7 | 0 | 118.5 | |||||
| 9 | R | 35.9 | Very low | 37.4 | Very low | 248 Ų | 248 | 169.1 Ų | 169.1 | 94% | 0.936 | 84% | 0.84 | S | S | * | * | trans | -168.8 | 123.9 | 141.6 | -105.1 | 164.1 | -170 | -172.7 | 4.6 | 110.8 | ||||
| 10 | K | 37.6 | Very low | 37.8 | Very low | 216 Ų | 216 | 167.1 Ų | 167.1 | 94% | 0.939 | 83% | 0.833 | S | S | * | * | trans | -139 | 136.7 | 156.9 | -85.2 | -164.8 | 173.7 | -176.1 | 0 | 110.6 | ||||
| 11 | R | 34.5 | Very low | 38.9 | Very low | 251 Ų | 251 | 163.9 Ų | 163.9 | 95% | 0.947 | 82% | 0.824 | S | S | * | * | trans | -124.8 | 158.2 | 170.8 | -97.7 | -176.4 | 167.3 | -173.8 | -3.7 | 108 | ||||
| 12 | K | 37.4 | Very low | 39.2 | Very low | 205 Ų | 205 | 159.9 Ų | 159.9 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | trans | -21.8 | 136.9 | 172.4 | -68.2 | -175.7 | 167.4 | -167.3 | 0 | 118 | ||||
| 13 | R | 33.8 | Very low | 39.3 | Very low | 236 Ų | 236 | 162.7 Ų | 162.7 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | trans | -176.9 | 122.2 | 131.3 | -101.7 | 174.9 | -174.6 | -172.5 | 0.1 | 107.6 | ||||
| 14 | S | 31.9 | Very low | 39.2 | Very low | 97 Ų | 97 | 157.7 Ų | 157.7 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | 71 | 144.8 | 83.9 | 75.7 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 15 | V | 38.3 | Very low | 38.8 | Very low | 104 Ų | 104 | 154 Ų | 154 | 63% | 0.63 | 79% | 0.789 | S | S | * | * | cis | -175.1 | 150.2 | 4.3 | 125.1 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 16 | E | 38.1 | Very low | 38.7 | Very low | 163 Ų | 163 | 161.4 Ų | 161.4 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | cis | -121 | -78.2 | -9.2 | -153.7 | 70.2 | -74.8 | 0 | 0 | 116.1 | ||||
| 17 | E | 35.3 | Very low | 38.8 | Very low | 181 Ų | 181 | 156.6 Ų | 156.6 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | cis | -167.7 | 153.1 | 5.7 | -154 | 156.2 | -77.2 | 0 | 0 | 111 | ||||
| 18 | G | 32.6 | Very low | 39.2 | Very low | 77 Ų | 77 | 155.9 Ų | 155.9 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | 126.6 | 111.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 19 | E | 39.8 | Very low | 40 | Very low | 176 Ų | 176 | 152 Ų | 152 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -97.2 | 177.8 | -173.5 | -48.9 | 170.9 | 144.7 | 0 | 0 | 112.6 | ||||
| 20 | N | 44.3 | Very low | 40.8 | Very low | 130 Ų | 130 | 146.4 Ų | 146.4 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | cis | -168.1 | -179.3 | 32 | -101.9 | -54.7 | 0 | 0 | 0 | 108.7 | ||||
| 21 | P | 61.6 | Low | 41.3 | Very low | 99 Ų | 99 | 139.5 Ų | 139.5 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | -133 | -177.3 | -50.1 | 40.1 | -22.1 | 0 | 0 | 0 | 114.2 | |||||
| 22 | D | 40.6 | Very low | 41.8 | Very low | 157 Ų | 157 | 135.3 Ų | 135.3 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | trans | 28.9 | 140.6 | 156.7 | -61.6 | -159.6 | 0 | 0 | 0 | 122.7 | ||||
| 23 | D | 41.9 | Very low | 41.9 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | cis | -164.6 | -164 | -21.3 | -157.9 | 28.7 | 0 | 0 | 0 | 106.1 | ||||
| 24 | G | 36.1 | Very low | 42.7 | Very low | 61 Ų | 61 | 137.1 Ų | 137.1 | 63% | 0.629 | 77% | 0.774 | S | S | * | * | cis | 176.4 | 170.4 | 5.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 25 | V | 38.7 | Very low | 43.2 | Very low | 113 Ų | 113 | 139 Ų | 139 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | trans | 43.6 | 109.1 | 152.8 | -174.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 26 | R | 37.7 | Very low | 43.4 | Very low | 228 Ų | 228 | 137.2 Ų | 137.2 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | 91 | 110 | 140.4 | -162.6 | 179.6 | -55 | -102.6 | -1.7 | 120.3 | ||||
| 27 | G | 38.9 | Very low | 43.6 | Very low | 70 Ų | 70 | 139.1 Ų | 139.1 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | -101.9 | 178.8 | 160 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 28 | S | 43.5 | Very low | 43.8 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -153.9 | 163.2 | 177.8 | -82.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 29 | P | 62.1 | Low | 44.2 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 166.2 | -150 | 34.8 | -37.3 | 0 | 0 | 0 | 116.3 | ||
| 30 | P | 52.9 | Low | 44.1 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 145.4 | 176.2 | 32.4 | -36.1 | 0 | 0 | 0 | 113.1 | ||
| 31 | G | 47.3 | Very low | 44.2 | Very low | 70 Ų | 70 | 134.7 Ų | 134.7 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -92 | 133.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 32 | D | 44.4 | Very low | 43.2 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | 47.8 | 113.6 | 133.5 | -57.4 | -14.8 | 0 | 0 | 0 | 121.7 | ||||
| 33 | Y | 40 | Very low | 43 | Very low | 225 Ų | 225 | 136.1 Ų | 136.1 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | trans | -71.8 | 147.2 | 153.7 | -84.1 | -112.6 | 0 | 0 | 0 | 111.1 | ||||
| 34 | R | 49.8 | Very low | 42.7 | Very low | 254 Ų | 254 | 140.8 Ų | 140.8 | 96% | 0.958 | 81% | 0.814 | S | S | * | * | trans | -128.7 | 139.7 | 157.8 | -119.6 | -176.1 | -176.4 | -135.5 | 1.1 | 111.1 | ||||
| 35 | V | 43.2 | Very low | 42.5 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 83% | 0.83 | 81% | 0.814 | S | S | * | * | trans | -115.7 | 137.9 | -173.2 | 173.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 36 | G | 41.8 | Very low | 42.4 | Very low | 67 Ų | 67 | 143.7 Ų | 143.7 | 69% | 0.691 | 82% | 0.82 | S | S | * | * | trans | 98.1 | 111.1 | 152.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 37 | Q | 43.8 | Very low | 42.4 | Very low | 202 Ų | 202 | 140.8 Ų | 140.8 | 94% | 0.944 | 82% | 0.816 | S | S | * | * | -155.9 | 155.6 | 125.7 | -108.7 | 172.6 | 21.7 | 0 | 0 | 109.5 | |||||
| 38 | V | 39.4 | Very low | 42.2 | Very low | 141 Ų | 141 | 145.1 Ų | 145.1 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | trans | -126.2 | 133.6 | -167.8 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 39 | A | 40.7 | Very low | 41.9 | Very low | 90 Ų | 90 | 145 Ų | 145 | 74% | 0.744 | 82% | 0.816 | S | S | * | * | trans | 18.4 | 112.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 40 | S | 38.5 | Very low | 40.6 | Very low | 114 Ų | 114 | 151 Ų | 151 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | -171.7 | 127.9 | 119.1 | 56.3 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 41 | S | 44.5 | Very low | 39.7 | Very low | 127 Ų | 127 | 148.4 Ų | 148.4 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | trans | -154.4 | 83.9 | 171.4 | -59 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 42 | L | 41.4 | Very low | 39.7 | Very low | 174 Ų | 174 | 148.8 Ų | 148.8 | 91% | 0.911 | 82% | 0.824 | S | S | * | * | trans | -79.4 | 168.3 | 161.8 | -82.2 | 160.8 | 0 | 0 | 0 | 110 | ||||
| 43 | C | 37.4 | Very low | 39.7 | Very low | 111 Ų | 111 | 147.1 Ų | 147.1 | 75% | 0.75 | 82% | 0.82 | S | S | * | * | trans | -85.8 | 172.9 | -156.1 | -45.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 44 | R | 34.9 | Very low | 40.4 | Very low | 245 Ų | 245 | 140.4 Ų | 140.4 | 93% | 0.925 | 82% | 0.819 | S | S | * | * | trans | 84.2 | 149 | 171.8 | -48.5 | 170 | -166.4 | -93.6 | 2.9 | 114.2 | ||||
| 45 | G | 32.4 | Very low | 40.7 | Very low | 62 Ų | 62 | 138.2 Ų | 138.2 | 64% | 0.639 | 81% | 0.811 | S | S | * | * | cis | -130.3 | 167.4 | -5.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 46 | E | 35.8 | Very low | 41.1 | Very low | 174 Ų | 174 | 138.2 Ų | 138.2 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | 59.7 | 135.6 | 71.6 | -78.8 | -170.8 | 140.4 | 0 | 0 | 114.1 | |||||
| 47 | H | 37.2 | Very low | 41.6 | Very low | 166 Ų | 166 | 139.8 Ų | 139.8 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | cis | -163.2 | 175.5 | -11.8 | -143.8 | 15 | 0 | 0 | 0 | 107.6 | ||||
| 48 | H | 36.1 | Very low | 42.3 | Very low | 162 Ų | 162 | 134.2 Ų | 134.2 | 75% | 0.75 | 80% | 0.8 | S | S | * | * | cis | -153.7 | 162.5 | 2.4 | -8.6 | -138.2 | 0 | 0 | 0 | 109.3 | ||||
| 49 | S | 36.3 | Very low | 43.1 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -157.8 | 119.7 | 141.9 | -165.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 50 | R | 33.8 | Very low | 43.7 | Very low | 245 Ų | 245 | 138.7 Ų | 138.7 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | 50.3 | 99.4 | 151.5 | -165.9 | 178 | -177.7 | -179.1 | 0.4 | 119.5 | ||||
| 51 | G | 35.3 | Very low | 44.3 | Very low | 75 Ų | 75 | 137.7 Ų | 137.7 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | 172.1 | 111.3 | 159.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 52 | G | 46.6 | Very low | 44.4 | Very low | 79 Ų | 79 | 137.1 Ų | 137.1 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | trans | -79.7 | 142.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 53 | T | 43.8 | Very low | 44.7 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | trans | -160.8 | 118 | 156.4 | 4 | 0 | 0 | 0 | 0 | 110.9 | R55 | T53-R55 PolarHBondContact O-N 3.25Š| ||
| 54 | G | 55.2 | Low | 45.6 | Very low | 84 Ų | 84 | 139.2 Ų | 139.2 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | -75.1 | 114.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 55 | R | 57.4 | Low | 46.4 | Very low | 208 Ų | 208 | 132.1 Ų | 132.1 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -150.3 | -0.6 | 178.3 | -115 | 171.4 | -166.6 | -166.6 | 2 | 117.9 | T53 | T53-R55 PolarHBondContact O-N 3.25Š| ||
| 56 | L | 51.4 | Low | 47.7 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 72% | 0.723 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -110.1 | -18.9 | -176.2 | -65.2 | 177.9 | 0 | 0 | 0 | 115.3 | A58 L59 | L56-A58 PolarHBondContact O-N 2.94Å; L56-A58 VanDerWaalsContact O-N 3.13Å; L56-L59 HydrophobicContact CD2-CD1 4.14Å; L56-L59 PolarHBondContact O-N 3.26Å |
| 57 | A | 52.6 | Low | 48.7 | Very low | 99 Ų | 99 | 136.1 Ų | 136.1 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -63.8 | -15.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 58 | A | 57.9 | Low | 49.5 | Very low | 85 Ų | 85 | 136.2 Ų | 136.2 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -84.3 | 0.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L56 | L56-A58 PolarHBondContact O-N 2.94Å; L56-A58 VanDerWaalsContact O-N 3.13Å |
| 59 | L | 55.4 | Low | 50.5 | Low | 126 Ų | 126 | 134.8 Ų | 134.8 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -102.8 | -9.4 | -175.7 | -65.7 | 177.9 | 0 | 0 | 0 | 114.9 | L56 | L56-L59 HydrophobicContact CD2-CD1 4.14Å; L56-L59 PolarHBondContact O-N 3.26Å |
| 60 | F | 53.6 | Low | 51.4 | Low | 200 Ų | 200 | 135.7 Ų | 135.7 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -130.7 | 10.6 | -178.8 | -71 | -76.9 | 0 | 0 | 0 | 114.4 | ||
| 61 | S | 50.4 | Low | 52.4 | Low | 92 Ų | 92 | 133.7 Ų | 133.7 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | trans | -94.8 | 97.2 | 169.1 | -170.4 | 0 | 0 | 0 | 0 | 109.3 | L63 | S61-L63 PolarHBondContact O-N 3.15Š| ||
| 62 | S | 46.7 | Very low | 53.4 | Low | 115 Ų | 115 | 135.8 Ų | 135.8 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -75.8 | 104.4 | 174.5 | 53.4 | 0 | 0 | 0 | 0 | 109.7 | E64 | S62-E64 PolarHBondContact O-N 3.14Å; S62-E64 VanDerWaalsContact O-N 3.14Å | ||
| 63 | L | 49.1 | Very low | 53.4 | Low | 162 Ų | 162 | 136.2 Ų | 136.2 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | trans | -70 | 108.4 | 176.5 | -152 | 79.7 | 0 | 0 | 0 | 109.9 | S61 P65 | S61-L63 PolarHBondContact O-N 3.15Å; L63-P65 WeakPolarHBondContact O-CD 3.36Å | ||
| 64 | E | 56.2 | Low | 53.8 | Low | 167 Ų | 167 | 136.2 Ų | 136.2 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | trans | -77 | 115.7 | 178.1 | -174.1 | 170.6 | -170.9 | 0 | 0 | 110.4 | S62 Q66 | S62-E64 PolarHBondContact O-N 3.14Å; S62-E64 VanDerWaalsContact O-N 3.14Å; E64-Q66 PolarHBondContact O-N 2.95Å | ||
| 65 | P | 51 | Low | 53.2 | Low | 96 Ų | 96 | 138 Ų | 138 | 62% | 0.623 | 76% | 0.758 | S | S | * | * | trans | -82 | 102.5 | -176.6 | 32.5 | -32.5 | 0 | 0 | 0 | 110.5 | L63 I67 | L63-P65 WeakPolarHBondContact O-CD 3.36Å; P65-I67 VanDerWaalsContact C-N 3.3Å; P65-I67 HydrophobicContact CB-CD1 4.01Å; P65-I67 HydrophobicContact CB-CG1 4.16Å; P65-I67 HydrophobicContact CG-CD1 4.49Å; P65-I67 PolarHBondContact O-N 3Å | ||
| 66 | Q | 59.5 | Low | 52.7 | Low | 183 Ų | 183 | 137.2 Ų | 137.2 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | trans | -59.6 | 88.3 | 166.6 | -78.2 | -77.1 | -7.3 | 0 | 0 | 110.6 | E64 | E64-Q66 PolarHBondContact O-N 2.95Š| ||
| 67 | I | 57.3 | Low | 52.1 | Low | 138 Ų | 138 | 139.1 Ų | 139.1 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | trans | -116.1 | 117.4 | 177 | -64.3 | 173 | 0 | 0 | 0 | 108 | P65 | P65-I67 VanDerWaalsContact C-N 3.3Å; P65-I67 HydrophobicContact CB-CD1 4.01Å; P65-I67 HydrophobicContact CB-CG1 4.16Å; P65-I67 HydrophobicContact CG-CD1 4.49Å; P65-I67 PolarHBondContact O-N 3Å | ||
| 68 | Q | 52.8 | Low | 51.2 | Low | 168 Ų | 168 | 140.9 Ų | 140.9 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | -66.3 | 142 | 178.1 | -64.7 | 176.7 | -6.2 | 0 | 0 | 110.9 | V70 | Q68-V70 PolarHBondContact O-N 3.47Å; Q68-V70 VanDerWaalsContact O-N 3.12Å | ||
| 69 | P | 58.2 | Low | 50.1 | Low | 132 Ų | 132 | 143.2 Ų | 143.2 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | trans | -72.6 | 106.7 | -174.4 | 28.1 | -34.5 | 0 | 0 | 0 | 112.1 | ||||
| 70 | V | 55 | Low | 49 | Very low | 130 Ų | 130 | 146.1 Ų | 146.1 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | trans | -84.3 | 112.4 | 171.4 | 179.4 | 0 | 0 | 0 | 0 | 109.7 | Q68 V72 | Q68-V70 PolarHBondContact O-N 3.47Å; Q68-V70 VanDerWaalsContact O-N 3.12Å; V70-V72 PolarHBondContact O-N 3.12Å | ||
| 71 | Y | 55.5 | Low | 48 | Very low | 203 Ų | 203 | 145.4 Ų | 145.4 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | trans | -74.5 | 120.4 | 177.7 | -178.5 | -95.8 | 0 | 0 | 0 | 111.5 | P73 | Y71-P73 HydrophobicContact CD1-CG 4.32Å; Y71-P73 HydrophobicContact CE1-CB 4.49Å; Y71-P73 HydrophobicContact CE1-CG 4.01Å | ||
| 72 | V | 55.5 | Low | 47 | Very low | 119 Ų | 119 | 152 Ų | 152 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | trans | -112.5 | 118 | 174.7 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | V70 | V70-V72 PolarHBondContact O-N 3.12Š| ||
| 73 | P | 47.8 | Very low | 46.3 | Very low | 89 Ų | 89 | 155.1 Ų | 155.1 | 58% | 0.578 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 143.6 | -179.9 | -22.1 | 32.9 | 0 | 0 | 0 | 113.7 | Y71 | Y71-P73 HydrophobicContact CD1-CG 4.32Å; Y71-P73 HydrophobicContact CE1-CB 4.49Å; Y71-P73 HydrophobicContact CE1-CG 4.01Å |
| 74 | V | 52.1 | Low | 45.3 | Very low | 126 Ų | 126 | 157 Ų | 157 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 129.5 | 175.2 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | K76 | V74-K76 PolarHBondContact O-N 3.41Š|
| 75 | P | 42.7 | Very low | 44 | Very low | 123 Ų | 123 | 154.9 Ų | 154.9 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 119 | 171.5 | -20.8 | 33 | 0 | 0 | 0 | 111.2 | ||
| 76 | K | 45.3 | Very low | 43 | Very low | 190 Ų | 190 | 157.8 Ų | 157.8 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 130.5 | 174.7 | -67.3 | -178.8 | 179.3 | 178 | 0 | 110.5 | V74 | V74-K76 PolarHBondContact O-N 3.41Š|
| 77 | E | 39.8 | Very low | 41.6 | Very low | 178 Ų | 178 | 157.1 Ų | 157.1 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 142.3 | 166.7 | -61.1 | -168.7 | 150.5 | 0 | 0 | 110.6 | ||
| 78 | T | 32.7 | Very low | 40.4 | Very low | 137 Ų | 137 | 159.1 Ų | 159.1 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | trans | -130.6 | 132.7 | 169.9 | 50.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 79 | I | 35.6 | Very low | 39.2 | Very low | 134 Ų | 134 | 159.2 Ų | 159.2 | 69% | 0.687 | 78% | 0.778 | S | S | * | * | trans | -121.1 | 143.4 | -172.1 | -67 | 172.1 | 0 | 0 | 0 | 108.9 | ||||
| 80 | K | 33 | Very low | 37.8 | Very low | 186 Ų | 186 | 157.6 Ų | 157.6 | 81% | 0.809 | 77% | 0.769 | S | S | * | * | trans | 100.2 | 113 | 169.2 | -69.4 | 131.9 | 179.3 | -178.8 | 0 | 119.3 | ||||
| 81 | K | 31.8 | Very low | 36.3 | Very low | 186 Ų | 186 | 157.3 Ų | 157.3 | 81% | 0.809 | 77% | 0.768 | S | S | * | * | 40.9 | 121.8 | 116.6 | -63.2 | 178.3 | 179 | 175.5 | 0 | 121.5 | |||||
| 82 | R | 30.1 | Very low | 35.1 | Very low | 231 Ų | 231 | 151.7 Ų | 151.7 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | trans | 78 | 122.1 | 130.9 | -73.5 | -177.9 | 168.7 | -179.6 | -3.6 | 122.2 | ||||
| 83 | K | 32.3 | Very low | 34 | Very low | 179 Ų | 179 | 154.6 Ų | 154.6 | 78% | 0.778 | 76% | 0.764 | S | S | * | * | trans | 89.3 | 127.8 | 134 | -92.1 | -167.7 | 172.5 | -172.1 | 0 | 122 | ||||
| 84 | R | 27.8 | Very low | 33.2 | Very low | 202 Ų | 202 | 157.8 Ų | 157.8 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | 84.8 | 116.9 | 139.9 | -87.1 | -168.2 | 168.6 | 171.3 | -6.7 | 121.7 | ||||
| 85 | N | 28.3 | Very low | 32.2 | Very low | 122 Ų | 122 | 158.8 Ų | 158.8 | 65% | 0.652 | 77% | 0.771 | S | S | * | * | 70.7 | 153.8 | 123.2 | -78.4 | 42 | 0 | 0 | 0 | 123.8 | |||||
| 86 | E | 30.9 | Very low | 31.5 | Very low | 157 Ų | 157 | 163.4 Ų | 163.4 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | 66.5 | 158.2 | 160.1 | -70.6 | 134.8 | -124 | 0 | 0 | 118 | ||||
| 87 | E | 29.8 | Very low | 31.2 | Very low | 169 Ų | 169 | 159.9 Ų | 159.9 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | -157.7 | 173.3 | -56.2 | -148.8 | 144.6 | -125.9 | 0 | 0 | 108.5 | |||||
| 88 | E | 31.5 | Very low | 30.7 | Very low | 180 Ų | 180 | 158.4 Ų | 158.4 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | trans | 58.8 | 178.1 | 169.5 | -64.2 | -172.8 | 173 | 0 | 0 | 118.2 | ||||
| 89 | E | 27.4 | Very low | 30.6 | Very low | 171 Ų | 171 | 159.7 Ų | 159.7 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | -152.5 | -148.5 | -67.6 | -148 | -169.3 | -140.3 | 0 | 0 | 109 | |||||
| 90 | S | 28.6 | Very low | 30.3 | Very low | 97 Ų | 97 | 161.3 Ų | 161.3 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | 72 | 120.2 | -174 | 70.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 91 | T | 24.7 | Very low | 30.3 | Very low | 124 Ų | 124 | 160.9 Ų | 160.9 | 76% | 0.761 | 77% | 0.773 | S | S | * | * | 76.3 | 136 | 52.3 | 67.1 | 0 | 0 | 0 | 0 | 114 | |||||
| 92 | S | 29.6 | Very low | 30.4 | Very low | 85 Ų | 85 | 157.3 Ų | 157.3 | 59% | 0.594 | 77% | 0.769 | S | S | * | * | cis | -169.6 | 161.3 | -4.2 | 42.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 93 | Q | 32.7 | Very low | 30.5 | Very low | 181 Ų | 181 | 150.6 Ų | 150.6 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | trans | 68.1 | 150.7 | 156.8 | -70.9 | 161.1 | 19.9 | 0 | 0 | 115.5 | ||||
| 94 | I | 31.1 | Very low | 30.9 | Very low | 155 Ų | 155 | 152.3 Ų | 152.3 | 80% | 0.795 | 77% | 0.77 | S | S | * | * | cis | -156.2 | 176.5 | -4 | -141.7 | 171.5 | 0 | 0 | 0 | 107 | ||||
| 95 | E | 30.6 | Very low | 31.2 | Very low | 147 Ų | 147 | 152.1 Ų | 152.1 | 69% | 0.687 | 77% | 0.774 | S | S | * | * | cis | -151.9 | -148.7 | -0.4 | -164.5 | -130.3 | -136.8 | 0 | 0 | 108.9 | ||||
| 96 | R | 28.9 | Very low | 31.5 | Very low | 220 Ų | 220 | 153 Ų | 153 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | trans | -164.2 | 139.9 | 172 | -74.6 | -172.2 | 178.7 | 172.1 | -0.7 | 111.1 | ||||
| 97 | P | 39.1 | Very low | 31.6 | Very low | 117 Ų | 117 | 155.4 Ų | 155.4 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | -126.8 | 141.4 | 108.1 | 2.2 | 18.9 | 0 | 0 | 0 | 112.1 | |||||
| 98 | L | 27.5 | Very low | 31.9 | Very low | 146 Ų | 146 | 151.8 Ų | 151.8 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | cis | 89.3 | 94.9 | 44.8 | -155.2 | -174.8 | 0 | 0 | 0 | 113 | ||||
| 99 | L | 31.2 | Very low | 32.5 | Very low | 165 Ų | 165 | 153 Ų | 153 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -165.6 | 165 | 141.2 | -106.6 | 171.1 | 0 | 0 | 0 | 111.2 | ||||
| 100 | Q | 29.4 | Very low | 33.6 | Very low | 168 Ų | 168 | 151.8 Ų | 151.8 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -104.7 | 177.3 | -174.2 | -58.7 | 170.3 | -51.7 | 0 | 0 | 110.2 | ||||
| 101 | E | 32.9 | Very low | 34.7 | Very low | 177 Ų | 177 | 156.6 Ų | 156.6 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | cis | -151.6 | -177.4 | 33.9 | -114.4 | -121.9 | 141.1 | 0 | 0 | 112.3 | ||||
| 102 | P | 35.1 | Very low | 36.2 | Very low | 111 Ų | 111 | 156.1 Ų | 156.1 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | trans | -99.3 | 153 | -146.3 | 37.5 | -38.2 | 0 | 0 | 0 | 118.3 | ||||
| 103 | A | 31.5 | Very low | 38.3 | Very low | 90 Ų | 90 | 155.5 Ų | 155.5 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | trans | -125.4 | 128 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K105 | A103-K105 PolarHBondContact O-N 3.37Š| ||
| 104 | K | 40.7 | Very low | 39.9 | Very low | 215 Ų | 215 | 152.9 Ų | 152.9 | 94% | 0.935 | 77% | 0.768 | S | S | * | * | trans | -69.3 | 121.8 | -173.3 | -63.5 | 166.5 | -177.6 | 167.4 | 0 | 112.3 | ||||
| 105 | K | 33.1 | Very low | 41.8 | Very low | 197 Ų | 197 | 148.7 Ų | 148.7 | 86% | 0.857 | 76% | 0.756 | S | S | * | * | trans | -134.5 | 122.3 | 168.4 | -72.5 | -174.7 | 179.2 | 173.7 | 0 | 113.7 | A103 | A103-K105 PolarHBondContact O-N 3.37Š| ||
| 106 | V | 35.2 | Very low | 44.1 | Very low | 140 Ų | 140 | 144.3 Ų | 144.3 | 85% | 0.848 | 74% | 0.736 | S | S | * | * | trans | 21 | 115.7 | 155.8 | -169.2 | 0 | 0 | 0 | 0 | 118.4 | A108 | V106-A108 PolarHBondContact O-N 2.85Å; V106-A108 VanDerWaalsContact O-N 3.14Å | ||
| 107 | K | 32.8 | Very low | 46.3 | Very low | 209 Ų | 209 | 138.7 Ų | 138.7 | 91% | 0.909 | 72% | 0.717 | S | S | * | * | trans | -64.2 | 109.7 | 168 | -70 | -176.2 | 178.1 | -179.5 | 0 | 111.5 | ||||
| 108 | A | 37.6 | Very low | 48 | Very low | 93 Ų | 93 | 141 Ų | 141 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | trans | -66.9 | 148.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V106 K110 | V106-A108 PolarHBondContact O-N 2.85Å; V106-A108 VanDerWaalsContact O-N 3.14Å; A108-K110 PolarHBondContact O-N 3.14Å; A108-K110 VanDerWaalsContact O-N 3.08Å | ||
| 109 | K | 43.6 | Very low | 50.3 | Low | 206 Ų | 206 | 138.5 Ų | 138.5 | 90% | 0.896 | 70% | 0.702 | S | S | * | * | trans | -71.4 | 103.5 | 176.7 | -70.5 | -175.2 | 177.7 | -178.3 | 0 | 110.2 | K111 | K109-K111 PolarHBondContact O-N 3.3Å; K109-K111 VanDerWaalsContact O-N 3.12Å | ||
| 110 | K | 49.3 | Very low | 52.5 | Low | 145 Ų | 145 | 132.9 Ų | 132.9 | 63% | 0.63 | 68% | 0.68 | S | S | * | * | trans | -52.5 | 115.8 | 171.8 | -165.7 | -169.4 | -174.6 | -160.3 | 0 | 108.8 | A108 H112 E116 | A108-K110 PolarHBondContact O-N 3.14Å; A108-K110 VanDerWaalsContact O-N 3.08Å; K110-H112 PolarHBondContact O-N 3.26Å; K110-E116 IonicContact NZ-OE1 3.99Å; K110-E116 PolarHBondContact NZ-OE1 3.26Å | ||
| 111 | K | 53.3 | Low | 54.7 | Low | 198 Ų | 198 | 130.2 Ų | 130.2 | 86% | 0.861 | 67% | 0.671 | S | S | * | * | trans | -70.5 | 110.3 | 171.5 | -74.9 | -178.1 | -179.5 | 174.9 | 0 | 107.4 | K109 T113 | K109-K111 PolarHBondContact O-N 3.3Å; K109-K111 VanDerWaalsContact O-N 3.12Å; K111-T113 PolarHBondContact O-N 2.84Å | ||
| 112 | H | 55.5 | Low | 57 | Low | 113 Ų | 113 | 129.7 Ų | 129.7 | 52% | 0.523 | 66% | 0.661 | S | S | . | * | trans | -57.6 | 133.6 | -179.7 | -79.5 | -62.7 | 0 | 0 | 0 | 111.8 | K110 E116 K117 | K110-H112 PolarHBondContact O-N 3.26Å; H112-E116 WeakPolarHBondContact CA-OE2 3.43Å; H112-E116 HydrophobicContact CB-CB 4.22Å; H112-E116 WeakPolarHBondContact CB-OE2 3.49Å; H112-E116 IonicContact CE1-OE2 2.69Å; H112-E116 IonicContact CG-OE2 2.67Å; H112-E116 IonicContact ND1-OE1 3.9Å; H112-E116 IonicContact ND1-OE2 3.64Å; H112-E116 PolarHBondContact ND1-OE2 3.05Å; H112-K117 HydrophobicContact CB-CG 4.42Å; H112-K117 WeakPolarHBondContact O-CE 3.47Å; H112-K117 PolarHBondContact O-NZ 3.18Å | ||
| 113 | T | 72.9 | Confident | 59.3 | Low | 72 Ų | 72 | 129.9 Ų | 129.9 | 44% | 0.442 | 65% | 0.653 | S | S | . | * | trans | -67.1 | 161.6 | 178.7 | 70.7 | 0 | 0 | 0 | 0 | 109.9 | K111 A115 E116 K117 | K111-T113 PolarHBondContact O-N 2.84Å; T113-A115 PolarHBondContact O-N 3.06Å; T113-E116 PolarHBondContact N-OE2 3.42Å; T113-E116 PolarHBondContact O-N 2.89Å; T113-E116 WeakPolarHBondContact OG1-CG 3.13Å; T113-E116 PolarHBondContact OG1-N 3.41Å; T113-K117 WeakPolarHBondContact O-CG 3.49Å; T113-K117 PolarHBondContact O-N 2.95Å; T113-K117 VanDerWaalsContact O-N 3.14Å | ||
| 114 | N | 65.9 | Low | 61.3 | Low | 127 Ų | 127 | 129.1 Ų | 129.1 | 68% | 0.679 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.2 | -20.1 | 177.8 | -70.2 | -15.8 | 0 | 0 | 0 | 112.4 | K117 K118 | N114-K117 PolarHBondContact OD1-NZ 3.21Å; N114-K118 WeakPolarHBondContact O-CB 3.18Å; N114-K118 PolarHBondContact O-N 3.01Å; N114-K118 VanDerWaalsContact O-N 3.15Å |
| 115 | A | 71.2 | Confident | 63.1 | Low | 66 Ų | 66 | 121.5 Ų | 121.5 | 55% | 0.545 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -70.3 | -49.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T113 K117 K118 L119 | T113-A115 PolarHBondContact O-N 3.06Å; A115-K117 VanDerWaalsContact C-N 3.27Å; A115-K117 PolarHBondContact O-N 2.86Å; A115-K118 PolarHBondContact O-N 2.77Å; A115-L119 PolarHBondContact O-N 3.4Å |
| 116 | E | 78.8 | Confident | 65 | Low | 56 Ų | 56 | 116.1 Ų | 116.1 | 26% | 0.262 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -57.8 | -39.3 | 177.2 | -69.6 | 169.5 | 148.9 | 0 | 0 | 111.4 | K110 H112 T113 A120 | K110-E116 IonicContact NZ-OE1 3.99Å; K110-E116 PolarHBondContact NZ-OE1 3.26Å; H112-E116 WeakPolarHBondContact CA-OE2 3.43Å; H112-E116 HydrophobicContact CB-CB 4.22Å; H112-E116 WeakPolarHBondContact CB-OE2 3.49Å; H112-E116 IonicContact CE1-OE2 2.69Å; H112-E116 IonicContact CG-OE2 2.67Å; H112-E116 IonicContact ND1-OE1 3.9Å; H112-E116 IonicContact ND1-OE2 3.64Å; H112-E116 PolarHBondContact ND1-OE2 3.05Å; T113-E116 PolarHBondContact N-OE2 3.42Å; T113-E116 PolarHBondContact O-N 2.89Å; T113-E116 WeakPolarHBondContact OG1-CG 3.13Å; T113-E116 PolarHBondContact OG1-N 3.41Å; E116-A120 PolarHBondContact O-N 3.02Å |
| 117 | K | 75.8 | Confident | 66.9 | Low | 101 Ų | 101 | 112.1 Ų | 112.1 | 44% | 0.439 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.7 | -37 | 173.4 | -63.9 | 172.5 | -161.4 | 153.9 | 0 | 113.4 | H112 T113 N114 A115 N121 | H112-K117 HydrophobicContact CB-CG 4.42Å; H112-K117 WeakPolarHBondContact O-CE 3.47Å; H112-K117 PolarHBondContact O-NZ 3.18Å; T113-K117 WeakPolarHBondContact O-CG 3.49Å; T113-K117 PolarHBondContact O-N 2.95Å; T113-K117 VanDerWaalsContact O-N 3.14Å; N114-K117 PolarHBondContact OD1-NZ 3.21Å; A115-K117 VanDerWaalsContact C-N 3.27Å; A115-K117 PolarHBondContact O-N 2.86Å; K117-N121 WeakPolarHBondContact O-CB 3.42Å; K117-N121 VanDerWaalsContact O-CG 3.27Å; K117-N121 PolarHBondContact O-N 3.46Å; K117-N121 PolarHBondContact O-OD1 3.26Å |
| 118 | K | 74.3 | Confident | 68.8 | Low | 166 Ų | 166 | 105.1 Ų | 105.1 | 72% | 0.722 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -71.7 | -33.3 | -179.4 | -163.2 | 175.6 | -176.5 | -175.8 | 0 | 111.3 | N114 A115 R122 | N114-K118 WeakPolarHBondContact O-CB 3.18Å; N114-K118 PolarHBondContact O-N 3.01Å; N114-K118 VanDerWaalsContact O-N 3.15Å; A115-K118 PolarHBondContact O-N 2.77Å; K118-R122 PolarHBondContact O-N 2.78Å; K118-R122 VanDerWaalsContact O-N 3.14Å |
| 119 | L | 75.5 | Confident | 70.5 | Confident | 93 Ų | 93 | 103 Ų | 103 | 49% | 0.487 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65 | -54.4 | 169.4 | -76 | 166.7 | 0 | 0 | 0 | 111.5 | A115 N121 R122 E123 | A115-L119 PolarHBondContact O-N 3.4Å; L119-N121 VanDerWaalsContact C-N 3.26Å; L119-N121 PolarHBondContact O-N 3.13Å; L119-R122 CarbonylContact O-C 3.53Å; L119-R122 WeakPolarHBondContact O-CA 3.4Å; L119-R122 WeakPolarHBondContact O-CB 3.45Å; L119-R122 PolarHBondContact O-N 3.2Å; L119-E123 WeakPolarHBondContact O-CG 3.42Å; L119-E123 PolarHBondContact O-N 2.88Å |
| 120 | A | 77.5 | Confident | 71.9 | Confident | 48 Ų | 48 | 98.2 Ų | 98.2 | 40% | 0.397 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -56.4 | -38.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E116 S124 | E116-A120 PolarHBondContact O-N 3.02Å; A120-S124 WeakPolarHBondContact O-CB 3.45Å; A120-S124 PolarHBondContact O-N 3.37Å; A120-S124 PolarHBondContact O-OG 2.89Å |
| 121 | N | 77.1 | Confident | 72.9 | Confident | 111 Ų | 111 | 96.1 Ų | 96.1 | 59% | 0.594 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.5 | -41.4 | 173 | -74.2 | 2 | 0 | 0 | 0 | 112.1 | K117 L119 S124 A125 | K117-N121 WeakPolarHBondContact O-CB 3.42Å; K117-N121 VanDerWaalsContact O-CG 3.27Å; K117-N121 PolarHBondContact O-N 3.46Å; K117-N121 PolarHBondContact O-OD1 3.26Å; L119-N121 VanDerWaalsContact C-N 3.26Å; L119-N121 PolarHBondContact O-N 3.13Å; N121-S124 PolarHBondContact O-N 3.26Å; N121-S124 PolarHBondContact O-OG 2.96Å; N121-A125 PolarHBondContact O-N 3.38Å |
| 122 | R | 80 | Confident | 73.6 | Confident | 167 Ų | 167 | 92.9 Ų | 92.9 | 63% | 0.63 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.1 | -41.6 | 178.2 | -163.2 | -178.2 | 88.9 | 111.6 | 0 | 112 | K118 L119 A125 L126 | K118-R122 PolarHBondContact O-N 2.78Å; K118-R122 VanDerWaalsContact O-N 3.14Å; L119-R122 CarbonylContact O-C 3.53Å; L119-R122 WeakPolarHBondContact O-CA 3.4Å; L119-R122 WeakPolarHBondContact O-CB 3.45Å; L119-R122 PolarHBondContact O-N 3.2Å; R122-A125 PolarHBondContact O-N 2.82Å; R122-L126 WeakPolarHBondContact O-CG 3.37Å; R122-L126 PolarHBondContact O-N 3.17Å |
| 123 | E | 83.3 | Confident | 74.1 | Confident | 115 Ų | 115 | 93 Ų | 93 | 54% | 0.537 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 173.9 | -71 | 158 | -164.8 | 0 | 0 | 111 | L119 A125 L126 A127 | L119-E123 WeakPolarHBondContact O-CG 3.42Å; L119-E123 PolarHBondContact O-N 2.88Å; E123-A125 VanDerWaalsContact C-N 3.3Å; E123-A125 PolarHBondContact O-N 3.12Å; E123-L126 PolarHBondContact O-N 3.11Å; E123-A127 WeakPolarHBondContact O-CB 3.45Å; E123-A127 PolarHBondContact O-N 2.98Å |
| 124 | S | 73.7 | Confident | 73.8 | Confident | 74 Ų | 74 | 94.1 Ų | 94.1 | 52% | 0.517 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.5 | -32.1 | 175.8 | 74.2 | 0 | 0 | 0 | 0 | 113.6 | A120 N121 S128 | A120-S124 WeakPolarHBondContact O-CB 3.45Å; A120-S124 PolarHBondContact O-N 3.37Å; A120-S124 PolarHBondContact O-OG 2.89Å; N121-S124 PolarHBondContact O-N 3.26Å; N121-S124 PolarHBondContact O-OG 2.96Å; S124-S128 PolarHBondContact O-N 3.41Å; S124-S128 PolarHBondContact O-OG 3.17Å |
| 125 | A | 79.8 | Confident | 73.7 | Confident | 55 Ų | 55 | 91.6 Ų | 91.6 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -74.8 | -37.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N121 R122 E123 S128 A129 | N121-A125 PolarHBondContact O-N 3.38Å; R122-A125 PolarHBondContact O-N 2.82Å; E123-A125 VanDerWaalsContact C-N 3.3Å; E123-A125 PolarHBondContact O-N 3.12Å; A125-S128 WeakPolarHBondContact CA-OG 3.47Å; A125-S128 PolarHBondContact O-N 3.18Å; A125-S128 PolarHBondContact O-OG 3.28Å; A125-A129 PolarHBondContact O-N 2.71Å; A125-A129 VanDerWaalsContact O-N 3.13Å |
| 126 | L | 72.6 | Confident | 72.8 | Confident | 83 Ų | 83 | 94.7 Ų | 94.7 | 44% | 0.435 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.6 | -50.9 | 171.8 | -71.3 | 164.7 | 0 | 0 | 0 | 110.4 | R122 E123 S128 A129 D130 | R122-L126 WeakPolarHBondContact O-CG 3.37Å; R122-L126 PolarHBondContact O-N 3.17Å; E123-L126 PolarHBondContact O-N 3.11Å; L126-S128 PolarHBondContact O-N 3.25Å; L126-S128 VanDerWaalsContact O-N 3.11Å; L126-A129 WeakPolarHBondContact O-CA 3.45Å; L126-A129 WeakPolarHBondContact O-CB 3.46Å; L126-A129 PolarHBondContact O-N 3.48Å; L126-D130 VanDerWaalsContact O-CG 3.25Å; L126-D130 PolarHBondContact O-N 2.98Å |
| 127 | A | 75.3 | Confident | 71.6 | Confident | 57 Ų | 57 | 97.6 Ų | 97.6 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.2 | -23.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E123 L131 | E123-A127 WeakPolarHBondContact O-CB 3.45Å; E123-A127 PolarHBondContact O-N 2.98Å; A127-L131 WeakPolarHBondContact O-CB 3.42Å |
| 128 | S | 72.6 | Confident | 70.6 | Confident | 61 Ų | 61 | 98.6 Ų | 98.6 | 43% | 0.427 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -78 | -36.9 | 168.5 | 48 | 0 | 0 | 0 | 0 | 113.4 | S124 A125 L126 L131 E132 | S124-S128 PolarHBondContact O-N 3.41Å; S124-S128 PolarHBondContact O-OG 3.17Å; A125-S128 WeakPolarHBondContact CA-OG 3.47Å; A125-S128 PolarHBondContact O-N 3.18Å; A125-S128 PolarHBondContact O-OG 3.28Å; L126-S128 PolarHBondContact O-N 3.25Å; L126-S128 VanDerWaalsContact O-N 3.11Å; S128-L131 PolarHBondContact O-N 3.31Å; S128-E132 WeakPolarHBondContact O-CG 3.29Å; S128-E132 PolarHBondContact O-N 3.09Å |
| 129 | A | 72.5 | Confident | 69.5 | Low | 50 Ų | 50 | 96 Ų | 96 | 41% | 0.413 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.7 | -45 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A125 L126 L131 E132 E133 | A125-A129 PolarHBondContact O-N 2.71Å; A125-A129 VanDerWaalsContact O-N 3.13Å; L126-A129 WeakPolarHBondContact O-CA 3.45Å; L126-A129 WeakPolarHBondContact O-CB 3.46Å; L126-A129 PolarHBondContact O-N 3.48Å; A129-L131 PolarHBondContact O-N 2.98Å; A129-E132 PolarHBondContact O-N 2.99Å; A129-E133 PolarHBondContact O-N 3.14Å |
| 130 | D | 73 | Confident | 67.9 | Low | 105 Ų | 105 | 93.9 Ų | 93.9 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -56.7 | -39.1 | 176.4 | -54.8 | -27.2 | 0 | 0 | 0 | 111.3 | L126 E133 E134 | L126-D130 VanDerWaalsContact O-CG 3.25Å; L126-D130 PolarHBondContact O-N 2.98Å; D130-E133 PolarHBondContact O-N 2.85Å; D130-E134 PolarHBondContact O-N 2.94Å |
| 131 | L | 70.4 | Confident | 66.4 | Low | 101 Ų | 101 | 99.8 Ų | 99.8 | 53% | 0.529 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -77.3 | -33.9 | -178.4 | -161.5 | 153.4 | 0 | 0 | 0 | 112.2 | A127 S128 A129 I135 | A127-L131 WeakPolarHBondContact O-CB 3.42Å; S128-L131 PolarHBondContact O-N 3.31Å; A129-L131 PolarHBondContact O-N 2.98Å; L131-I135 HydrophobicContact CD2-CD1 3.83Å; L131-I135 WeakPolarHBondContact O-CD1 3.48Å; L131-I135 VanDerWaalsContact O-CG1 3.29Å; L131-I135 WeakPolarHBondContact O-CG1 3.47Å; L131-I135 PolarHBondContact O-N 3Å; L131-I135 VanDerWaalsContact O-N 3.17Å |
| 132 | E | 68.5 | Low | 64.8 | Low | 130 Ų | 130 | 103.7 Ų | 103.7 | 61% | 0.607 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.8 | -37.5 | 169.4 | -75.1 | -177.6 | 176.4 | 0 | 0 | 111.8 | S128 A129 I135 H136 | S128-E132 WeakPolarHBondContact O-CG 3.29Å; S128-E132 PolarHBondContact O-N 3.09Å; A129-E132 PolarHBondContact O-N 2.99Å; E132-I135 WeakPolarHBondContact O-CB 3.43Å; E132-I135 PolarHBondContact O-N 3.47Å; E132-H136 PolarHBondContact O-CD2 2.82Å; E132-H136 VanDerWaalsContact O-CD2 3.25Å; E132-H136 PolarHBondContact O-N 3.39Å |
| 133 | E | 66.4 | Low | 62.7 | Low | 116 Ų | 116 | 106.2 Ų | 106.2 | 54% | 0.542 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 174.5 | -156.2 | -169.8 | 139 | 0 | 0 | 111.6 | A129 D130 I135 H136 Q137 | A129-E133 PolarHBondContact O-N 3.14Å; D130-E133 PolarHBondContact O-N 2.85Å; E133-I135 PolarHBondContact O-N 3.17Å; E133-H136 PolarHBondContact O-N 3.28Å; E133-Q137 HydrophobicContact CG-CG 4.49Å; E133-Q137 WeakPolarHBondContact O-CG 3.41Å; E133-Q137 PolarHBondContact O-N 3.08Å; E133-Q137 PolarHBondContact OE1-NE2 3.43Å |
| 134 | E | 66.6 | Low | 60.5 | Low | 95 Ų | 95 | 109.5 Ų | 109.5 | 44% | 0.444 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -58.6 | -36.7 | 175 | -154.9 | -150.8 | -171.7 | 0 | 0 | 111.9 | D130 K138 | D130-E134 PolarHBondContact O-N 2.94Å; E134-K138 WeakPolarHBondContact O-CB 3.38Å; E134-K138 WeakPolarHBondContact O-CD 3.25Å; E134-K138 VanDerWaalsContact O-CG 3.25Å; E134-K138 WeakPolarHBondContact O-CG 3.4Å; E134-K138 PolarHBondContact O-N 2.84Å; E134-K138 WeakPolarHBondContact OE1-CE 3.39Å; E134-K138 IonicContact OE1-NZ 3.54Å; E134-K138 PolarHBondContact OE1-NZ 2.64Å; E134-K138 IonicContact OE2-NZ 2.84Å; E134-K138 PolarHBondContact OE2-NZ 3.22Å |
| 135 | I | 61.9 | Low | 58.4 | Low | 74 Ų | 74 | 113.8 Ų | 113.8 | 38% | 0.379 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.6 | -41.8 | 172.9 | -71.5 | 166.4 | 0 | 0 | 0 | 111.1 | L131 E132 E133 K138 Q139 | L131-I135 HydrophobicContact CD2-CD1 3.83Å; L131-I135 WeakPolarHBondContact O-CD1 3.48Å; L131-I135 VanDerWaalsContact O-CG1 3.29Å; L131-I135 WeakPolarHBondContact O-CG1 3.47Å; L131-I135 PolarHBondContact O-N 3Å; L131-I135 VanDerWaalsContact O-N 3.17Å; E132-I135 WeakPolarHBondContact O-CB 3.43Å; E132-I135 PolarHBondContact O-N 3.47Å; E133-I135 PolarHBondContact O-N 3.17Å; I135-K138 PolarHBondContact O-N 3.36Å; I135-Q139 VanDerWaalsContact CG2-NE2 3.33Å; I135-Q139 WeakPolarHBondContact O-CG 3.47Å; I135-Q139 PolarHBondContact O-N 3.24Å; I135-Q139 VanDerWaalsContact O-N 3.09Å |
| 136 | H | 52.6 | Low | 56 | Low | 130 Ų | 130 | 116.6 Ų | 116.6 | 60% | 0.602 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.9 | -42.2 | -179.7 | -81.8 | -142.1 | 0 | 0 | 0 | 112.2 | E132 E133 K138 Q139 G140 | E132-H136 PolarHBondContact O-CD2 2.82Å; E132-H136 VanDerWaalsContact O-CD2 3.25Å; E132-H136 PolarHBondContact O-N 3.39Å; E133-H136 PolarHBondContact O-N 3.28Å; H136-K138 VanDerWaalsContact C-N 3.33Å; H136-K138 PolarHBondContact O-N 3.39Å; H136-Q139 PolarHBondContact O-N 3.14Å; H136-Q139 VanDerWaalsContact O-N 3.14Å; H136-G140 PolarHBondContact O-N 3.33Å |
| 137 | Q | 54.3 | Low | 54 | Low | 117 Ų | 117 | 121.7 Ų | 121.7 | 55% | 0.547 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -59.3 | -43.5 | 174.3 | -67.3 | 179.1 | 15.1 | 0 | 0 | 111.4 | E133 Q139 G140 | E133-Q137 HydrophobicContact CG-CG 4.49Å; E133-Q137 WeakPolarHBondContact O-CG 3.41Å; E133-Q137 PolarHBondContact O-N 3.08Å; E133-Q137 PolarHBondContact OE1-NE2 3.43Å; Q137-Q139 VanDerWaalsContact C-N 3.31Å; Q137-Q139 PolarHBondContact O-N 3.19Å; Q137-G140 PolarHBondContact O-N 3.06Å |
| 138 | K | 55.4 | Low | 52.5 | Low | 122 Ų | 122 | 124.7 Ų | 124.7 | 53% | 0.53 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -66.9 | -25.4 | 175.7 | -71.4 | 169.1 | -173.2 | 171.2 | 0 | 113.9 | E134 I135 H136 | E134-K138 WeakPolarHBondContact O-CB 3.38Å; E134-K138 WeakPolarHBondContact O-CD 3.25Å; E134-K138 VanDerWaalsContact O-CG 3.25Å; E134-K138 WeakPolarHBondContact O-CG 3.4Å; E134-K138 PolarHBondContact O-N 2.84Å; E134-K138 WeakPolarHBondContact OE1-CE 3.39Å; E134-K138 IonicContact OE1-NZ 3.54Å; E134-K138 PolarHBondContact OE1-NZ 2.64Å; E134-K138 IonicContact OE2-NZ 2.84Å; E134-K138 PolarHBondContact OE2-NZ 3.22Å; I135-K138 PolarHBondContact O-N 3.36Å; H136-K138 VanDerWaalsContact C-N 3.33Å; H136-K138 PolarHBondContact O-N 3.39Å |
| 139 | Q | 50.2 | Low | 50.3 | Low | 113 Ų | 113 | 125.4 Ų | 125.4 | 53% | 0.528 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -81.4 | -34.3 | 172.6 | -73.1 | -176.3 | 52.1 | 0 | 0 | 112.8 | I135 H136 Q137 Q141 K142 | I135-Q139 VanDerWaalsContact CG2-NE2 3.33Å; I135-Q139 WeakPolarHBondContact O-CG 3.47Å; I135-Q139 PolarHBondContact O-N 3.24Å; I135-Q139 VanDerWaalsContact O-N 3.09Å; H136-Q139 PolarHBondContact O-N 3.14Å; H136-Q139 VanDerWaalsContact O-N 3.14Å; Q137-Q139 VanDerWaalsContact C-N 3.31Å; Q137-Q139 PolarHBondContact O-N 3.19Å; Q139-Q141 VanDerWaalsContact C-N 3.34Å; Q139-Q141 PolarHBondContact O-N 3.14Å; Q139-K142 PolarHBondContact O-N 3.44Å; Q139-K142 VanDerWaalsContact O-N 3.17Å |
| 140 | G | 41.6 | Very low | 48.3 | Very low | 48 Ų | 48 | 129 Ų | 129 | 50% | 0.495 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -58.4 | -41.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | H136 Q137 K142 R143 | H136-G140 PolarHBondContact O-N 3.33Å; Q137-G140 PolarHBondContact O-N 3.06Å; G140-K142 PolarHBondContact O-N 2.98Å; G140-R143 PolarHBondContact O-N 3.35Å |
| 141 | Q | 46.3 | Very low | 46.3 | Very low | 172 Ų | 172 | 133 Ų | 133 | 80% | 0.804 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -63.8 | -24.4 | 179.3 | -69.4 | -175.9 | -12.7 | 0 | 0 | 113.8 | Q139 R143 | Q139-Q141 VanDerWaalsContact C-N 3.34Å; Q139-Q141 PolarHBondContact O-N 3.14Å; Q141-R143 VanDerWaalsContact C-N 3.32Å; Q141-R143 PolarHBondContact O-N 3.33Å |
| 142 | K | 44.3 | Very low | 44.3 | Very low | 193 Ų | 193 | 134.6 Ų | 134.6 | 84% | 0.839 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -81.1 | -0 | -179.2 | -79.5 | -169.1 | 172.5 | -174.8 | 0 | 115.1 | Q139 G140 | Q139-K142 PolarHBondContact O-N 3.44Å; Q139-K142 VanDerWaalsContact O-N 3.17Å; G140-K142 PolarHBondContact O-N 2.98Å |
| 143 | R | 36.2 | Very low | 42.6 | Very low | 220 Ų | 220 | 132.4 Ų | 132.4 | 83% | 0.83 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -104.7 | 5.7 | -175.1 | -73.1 | -168.5 | 172.6 | -165.5 | -0.5 | 116.1 | G140 Q141 | G140-R143 PolarHBondContact O-N 3.35Å; Q141-R143 VanDerWaalsContact C-N 3.32Å; Q141-R143 PolarHBondContact O-N 3.33Å |
| 144 | K | 36.4 | Very low | 40.9 | Very low | 184 Ų | 184 | 132.7 Ų | 132.7 | 80% | 0.8 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -116.9 | 84.1 | 174.3 | -70.5 | -172.3 | 178.1 | -177.2 | 0 | 111.8 | ||
| 145 | N | 29.5 | Very low | 39.2 | Very low | 164 Ų | 164 | 138.1 Ų | 138.1 | 88% | 0.877 | 72% | 0.715 | S | S | * | * | trans | 165.2 | 103.9 | 138.8 | -85.6 | -9.7 | 0 | 0 | 0 | 111.5 | ||||
| 146 | S | 30.6 | Very low | 37.9 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | trans | -161.4 | 95.3 | 165.8 | 64.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 147 | Q | 30.3 | Very low | 37.4 | Very low | 189 Ų | 189 | 144.6 Ų | 144.6 | 88% | 0.883 | 74% | 0.744 | S | S | * | * | trans | -141.7 | 150.8 | 152.5 | -87.5 | -68.7 | -29.8 | 0 | 0 | 106.9 | ||||
| 148 | P | 43.6 | Very low | 36.3 | Very low | 120 Ų | 120 | 146.7 Ų | 146.7 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | trans | -105.4 | 156 | -153 | 38.6 | -34.9 | 0 | 0 | 0 | 115.9 | ||||
| 149 | G | 26.7 | Very low | 35.1 | Very low | 76 Ų | 76 | 148.8 Ų | 148.8 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | trans | -156.8 | 77 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 150 | V | 28.7 | Very low | 34.4 | Very low | 125 Ų | 125 | 150.2 Ų | 150.2 | 76% | 0.758 | 79% | 0.787 | S | S | * | * | trans | 17.3 | 103.6 | 150.7 | -171 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 151 | K | 31.4 | Very low | 34.1 | Very low | 190 Ų | 190 | 154.4 Ų | 154.4 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | 65.9 | 149.8 | 140 | -57.3 | 173.9 | -178.4 | 176.4 | 0 | 123.4 | ||||
| 152 | V | 29.9 | Very low | 33.3 | Very low | 135 Ų | 135 | 151.8 Ų | 151.8 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | 110.2 | 118.4 | 145.7 | -172.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 153 | A | 31.2 | Very low | 33.2 | Very low | 83 Ų | 83 | 150.1 Ų | 150.1 | 69% | 0.686 | 79% | 0.794 | S | S | * | * | trans | 72.1 | 142.7 | 153.8 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 154 | D | 30.9 | Very low | 33.1 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 66% | 0.658 | 78% | 0.782 | S | S | * | * | trans | 47 | 109.4 | 143.1 | -81.7 | 39 | 0 | 0 | 0 | 119.8 | ||||
| 155 | R | 31.8 | Very low | 33.2 | Very low | 208 Ų | 208 | 142.6 Ų | 142.6 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | cis | -178.4 | 152.2 | 47.2 | -100.6 | 147.9 | -171.5 | -154.2 | -1.8 | 113.6 | ||||
| 156 | K | 33.8 | Very low | 33.7 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 67.9 | 127 | 148.6 | -73 | -177.2 | 176.6 | -175.4 | 0 | 120.9 | ||||
| 157 | I | 41.9 | Very low | 34 | Very low | 155 Ų | 155 | 140.4 Ų | 140.4 | 80% | 0.795 | 78% | 0.78 | S | S | * | * | trans | 80 | 149.6 | 155.1 | -57.2 | 155.7 | 0 | 0 | 0 | 115.4 | ||||
| 158 | L | 31.8 | Very low | 34.6 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | 94 | 86.5 | -180 | -55.3 | 180 | 0 | 0 | 0 | 117.2 | ||||
| 159 | D | 29.5 | Very low | 34.9 | Very low | 167 Ų | 167 | 146 Ų | 146 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | trans | -131.3 | 144.6 | 143.9 | -73 | -52.9 | 0 | 0 | 0 | 105.2 | ||||
| 160 | D | 37.1 | Very low | 35.9 | Very low | 143 Ų | 143 | 152.3 Ų | 152.3 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | cis | -159.1 | 116.1 | -11.2 | 172.8 | -40.6 | 0 | 0 | 0 | 106.1 | ||||
| 161 | V | 34.2 | Very low | 36.8 | Very low | 136 Ų | 136 | 155.7 Ų | 155.7 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -155 | 140.5 | 161.7 | -147.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 162 | D | 30.7 | Very low | 38.1 | Very low | 117 Ų | 117 | 153.4 Ų | 153.4 | 63% | 0.626 | 79% | 0.791 | S | S | * | * | trans | 95.1 | 75.3 | 141.7 | -122.5 | -37.8 | 0 | 0 | 0 | 121.1 | T164 | D162-T164 WeakPolarHBondContact OD1-CB 3.35Å; D162-T164 VanDerWaalsContact OD1-CG2 3.24Å; D162-T164 WeakPolarHBondContact OD1-CG2 3.39Å; D162-T164 PolarHBondContact OD1-OG1 3.02Å | ||
| 163 | D | 41 | Very low | 39.5 | Very low | 158 Ų | 158 | 156 Ų | 156 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | -96.3 | 73.6 | 161 | -172.3 | 4.8 | 0 | 0 | 0 | 110.9 | ||||
| 164 | T | 34.2 | Very low | 40.9 | Very low | 95 Ų | 95 | 156.7 Ų | 156.7 | 58% | 0.583 | 79% | 0.786 | S | S | * | * | trans | -135 | 58.6 | -178.1 | 70.5 | 0 | 0 | 0 | 0 | 116.3 | D162 V166 | D162-T164 WeakPolarHBondContact OD1-CB 3.35Å; D162-T164 VanDerWaalsContact OD1-CG2 3.24Å; D162-T164 WeakPolarHBondContact OD1-CG2 3.39Å; D162-T164 PolarHBondContact OD1-OG1 3.02Å; T164-V166 PolarHBondContact O-N 2.97Å | ||
| 165 | V | 38.2 | Very low | 43.3 | Very low | 151 Ų | 151 | 155.3 Ų | 155.3 | 92% | 0.915 | 78% | 0.778 | S | S | * | * | trans | -73.5 | 71.2 | 169.7 | -169.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 166 | V | 39.3 | Very low | 45.8 | Very low | 120 Ų | 120 | 151.4 Ų | 151.4 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -97.2 | 127.8 | 176.2 | -179.4 | 0 | 0 | 0 | 0 | 111 | T164 Q168 | T164-V166 PolarHBondContact O-N 2.97Å; V166-Q168 PolarHBondContact O-N 3.05Å; V166-Q168 VanDerWaalsContact O-N 3.08Å | ||
| 167 | S | 38.5 | Very low | 48.1 | Very low | 112 Ų | 112 | 148.7 Ų | 148.7 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | trans | -48.4 | 109.5 | -169.3 | -48.2 | 0 | 0 | 0 | 0 | 115 | R169 | S167-R169 VanDerWaalsContact C-N 3.28Å; S167-R169 PolarHBondContact O-N 2.89Å | ||
| 168 | Q | 42.9 | Very low | 50.2 | Low | 192 Ų | 192 | 145.9 Ų | 145.9 | 90% | 0.897 | 74% | 0.742 | S | S | * | * | trans | -71.8 | 77.1 | 173.8 | -63.1 | -171.7 | 11.4 | 0 | 0 | 112.1 | V166 K170 | V166-Q168 PolarHBondContact O-N 3.05Å; V166-Q168 VanDerWaalsContact O-N 3.08Å; Q168-K170 PolarHBondContact O-N 3.29Å | ||
| 169 | R | 49 | Very low | 52.7 | Low | 235 Ų | 235 | 142.5 Ų | 142.5 | 89% | 0.887 | 72% | 0.722 | S | S | * | * | trans | -57.2 | 118.8 | 149.9 | -75.2 | -178.8 | 174.3 | 148.2 | 2.3 | 106.5 | S167 K171 | S167-R169 VanDerWaalsContact C-N 3.28Å; S167-R169 PolarHBondContact O-N 2.89Å; R169-K171 PolarHBondContact O-N 3.13Å | ||
| 170 | K | 47.4 | Very low | 55.4 | Low | 207 Ų | 207 | 141.2 Ų | 141.2 | 90% | 0.9 | 71% | 0.705 | S | S | * | * | trans | -46.7 | 103.6 | -179.9 | -74.1 | -172.3 | 177.4 | -177.3 | 0 | 109.5 | Q168 I172 | Q168-K170 PolarHBondContact O-N 3.29Å; K170-I172 PolarHBondContact O-N 3.44Å | ||
| 171 | K | 48 | Very low | 57.8 | Low | 196 Ų | 196 | 138.6 Ų | 138.6 | 85% | 0.852 | 69% | 0.691 | S | S | * | * | trans | -72.3 | 102.6 | -178.7 | -160.5 | -177.8 | -174.8 | -171.1 | 0 | 104.7 | R169 Q173 | R169-K171 PolarHBondContact O-N 3.13Å; K171-Q173 PolarHBondContact O-N 3.4Å | ||
| 172 | I | 59 | Low | 60.4 | Low | 142 Ų | 142 | 135.5 Ų | 135.5 | 73% | 0.728 | 67% | 0.666 | S | S | * | * | trans | -52.2 | 120.7 | 173 | -61.1 | 173.9 | 0 | 0 | 0 | 105.5 | K170 I174 | K170-I172 PolarHBondContact O-N 3.44Å; I172-I174 HydrophobicContact CB-CG1 4.41Å; I172-I174 HydrophobicContact CG2-CG1 4.07Å; I172-I174 PolarHBondContact O-N 3.42Å | ||
| 173 | Q | 59.9 | Low | 63.2 | Low | 191 Ų | 191 | 132.7 Ų | 132.7 | 89% | 0.893 | 65% | 0.651 | S | S | * | * | trans | -72.7 | 80.1 | 173 | -66.8 | -178.3 | 3.5 | 0 | 0 | 106.5 | K171 N175 | K171-Q173 PolarHBondContact O-N 3.4Å; Q173-N175 PolarHBondContact O-N 3.42Å | ||
| 174 | I | 60.3 | Low | 65.6 | Low | 97 Ų | 97 | 128.2 Ų | 128.2 | 50% | 0.497 | 63% | 0.625 | S | S | . | * | trans | -62.4 | 117 | 171.1 | -63.2 | 171.7 | 0 | 0 | 0 | 105.1 | I172 E176 E179 | I172-I174 HydrophobicContact CB-CG1 4.41Å; I172-I174 HydrophobicContact CG2-CG1 4.07Å; I172-I174 PolarHBondContact O-N 3.42Å; I174-E176 PolarHBondContact O-N 2.95Å; I174-E176 VanDerWaalsContact O-N 3.14Å; I174-E179 HydrophobicContact CG2-CB 4.27Å | ||
| 175 | N | 80.4 | Confident | 68.4 | Low | 94 Ų | 94 | 128 Ų | 128 | 50% | 0.503 | 61% | 0.613 | S | S | . | * | trans | -63.5 | 118.3 | -177.3 | -167 | 26.8 | 0 | 0 | 0 | 108.3 | Q173 E177 E178 E179 | Q173-N175 PolarHBondContact O-N 3.42Å; N175-E177 PolarHBondContact O-N 3.43Å; N175-E178 HydrophobicContact CB-CB 4.15Å; N175-E178 WeakPolarHBondContact O-CA 3.44Å; N175-E178 WeakPolarHBondContact O-CB 3.46Å; N175-E178 PolarHBondContact O-N 3.17Å; N175-E179 PolarHBondContact O-N 2.72Å | ||
| 176 | E | 84.1 | Confident | 71 | Confident | 126 Ų | 126 | 121.1 Ų | 121.1 | 59% | 0.589 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -60.3 | -34.6 | -169.3 | -71 | -161.4 | -175.3 | 0 | 0 | 112.2 | I174 E178 E179 R180 | I174-E176 PolarHBondContact O-N 2.95Å; I174-E176 VanDerWaalsContact O-N 3.14Å; E176-E178 VanDerWaalsContact C-N 3.31Å; E176-E178 PolarHBondContact O-N 2.83Å; E176-E179 PolarHBondContact O-N 2.84Å; E176-R180 WeakPolarHBondContact O-CD 3.31Å; E176-R180 VanDerWaalsContact O-CG 3.23Å; E176-R180 WeakPolarHBondContact O-CG 3.34Å; E176-R180 PolarHBondContact O-N 3.12Å; E176-R180 IonicContact OE2-CZ 3.67Å; E176-R180 IonicContact OE2-NE 2.9Å; E176-R180 IonicContact OE2-NH2 3.2Å; E176-R180 PolarHBondContact OE2-NH2 2.82Å |
| 177 | E | 82.7 | Confident | 73.7 | Confident | 128 Ų | 128 | 115.4 Ų | 115.4 | 60% | 0.598 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.2 | -40.2 | 174.1 | -59.9 | 175.4 | 158.1 | 0 | 0 | 111.7 | N175 E179 R180 L181 | N175-E177 PolarHBondContact O-N 3.43Å; E177-E179 VanDerWaalsContact C-N 3.35Å; E177-R180 PolarHBondContact O-N 3.29Å; E177-L181 VanDerWaalsContact O-CB 3.32Å; E177-L181 WeakPolarHBondContact O-CB 3.45Å; E177-L181 WeakPolarHBondContact O-CD1 3.49Å; E177-L181 VanDerWaalsContact O-CG 3.24Å; E177-L181 WeakPolarHBondContact O-CG 3.36Å; E177-L181 PolarHBondContact O-N 2.8Å |
| 178 | E | 85.3 | Confident | 76.3 | Confident | 95 Ų | 95 | 111.5 Ų | 111.5 | 44% | 0.444 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.4 | -31.9 | 177.7 | -154.1 | -147 | 173.1 | 0 | 0 | 111.5 | N175 E176 K182 | N175-E178 HydrophobicContact CB-CB 4.15Å; N175-E178 WeakPolarHBondContact O-CA 3.44Å; N175-E178 WeakPolarHBondContact O-CB 3.46Å; N175-E178 PolarHBondContact O-N 3.17Å; E176-E178 VanDerWaalsContact C-N 3.31Å; E176-E178 PolarHBondContact O-N 2.83Å; E178-K182 WeakPolarHBondContact O-CB 3.15Å; E178-K182 VanDerWaalsContact O-CD 3.24Å; E178-K182 WeakPolarHBondContact O-CD 3.11Å; E178-K182 WeakPolarHBondContact O-CG 3.38Å; E178-K182 PolarHBondContact O-N 3.25Å; E178-K182 VanDerWaalsContact O-N 3.12Å; E178-K182 VanDerWaalsContact OE1-CE 3.22Å; E178-K182 WeakPolarHBondContact OE1-CE 3.49Å; E178-K182 IonicContact OE1-NZ 3.6Å; E178-K182 PolarHBondContact OE1-NZ 2.79Å; E178-K182 IonicContact OE2-NZ 2.81Å; E178-K182 PolarHBondContact OE2-NZ 2.95Å |
| 179 | E | 85.7 | Confident | 78.7 | Confident | 90 Ų | 90 | 102.4 Ų | 102.4 | 42% | 0.421 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -73.9 | -35.2 | 171.3 | -172.6 | 160.3 | -176.9 | 0 | 0 | 112 | I174 N175 E176 E177 K182 N183 | I174-E179 HydrophobicContact CG2-CB 4.27Å; N175-E179 PolarHBondContact O-N 2.72Å; E176-E179 PolarHBondContact O-N 2.84Å; E177-E179 VanDerWaalsContact C-N 3.35Å; E179-K182 PolarHBondContact O-N 3.17Å; E179-N183 WeakPolarHBondContact O-CB 3.48Å; E179-N183 PolarHBondContact O-N 3.23Å; E179-N183 PolarHBondContact O-ND2 2.88Å; E179-N183 VanDerWaalsContact O-ND2 3.09Å |
| 180 | R | 84.9 | Confident | 80.7 | Confident | 140 Ų | 140 | 91.3 Ų | 91.3 | 53% | 0.528 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63 | -51.4 | 172.5 | -68.7 | 159.6 | -164.4 | -106.7 | 5.2 | 111.6 | E176 E177 K182 N183 E184 | E176-R180 WeakPolarHBondContact O-CD 3.31Å; E176-R180 VanDerWaalsContact O-CG 3.23Å; E176-R180 WeakPolarHBondContact O-CG 3.34Å; E176-R180 PolarHBondContact O-N 3.12Å; E176-R180 IonicContact OE2-CZ 3.67Å; E176-R180 IonicContact OE2-NE 2.9Å; E176-R180 IonicContact OE2-NH2 3.2Å; E176-R180 PolarHBondContact OE2-NH2 2.82Å; E177-R180 PolarHBondContact O-N 3.29Å; R180-K182 PolarHBondContact O-N 3.08Å; R180-N183 WeakPolarHBondContact O-CA 3.37Å; R180-N183 WeakPolarHBondContact O-CB 3.26Å; R180-N183 PolarHBondContact O-N 3.25Å; R180-E184 PolarHBondContact O-N 3.04Å |
| 181 | L | 87.5 | Confident | 82.7 | Confident | 88 Ų | 88 | 82.1 Ų | 82.1 | 46% | 0.461 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.7 | -25.1 | 174.9 | -72.3 | 166.9 | 0 | 0 | 0 | 113.6 | E177 E184 R185 | E177-L181 VanDerWaalsContact O-CB 3.32Å; E177-L181 WeakPolarHBondContact O-CB 3.45Å; E177-L181 WeakPolarHBondContact O-CD1 3.49Å; E177-L181 VanDerWaalsContact O-CG 3.24Å; E177-L181 WeakPolarHBondContact O-CG 3.36Å; E177-L181 PolarHBondContact O-N 2.8Å; L181-E184 WeakPolarHBondContact CA-OE2 3.44Å; L181-R185 PolarHBondContact O-NE 2.99Å; L181-R185 PolarHBondContact O-NH2 3.11Å |
| 182 | K | 88.5 | Confident | 84.8 | Confident | 71 Ų | 71 | 72.8 Ų | 72.8 | 31% | 0.309 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -78.8 | -42.7 | 169.1 | -75.8 | 163.5 | -169.9 | 167.7 | 0 | 111.2 | E178 E179 R180 R185 T186 | E178-K182 WeakPolarHBondContact O-CB 3.15Å; E178-K182 VanDerWaalsContact O-CD 3.24Å; E178-K182 WeakPolarHBondContact O-CD 3.11Å; E178-K182 WeakPolarHBondContact O-CG 3.38Å; E178-K182 PolarHBondContact O-N 3.25Å; E178-K182 VanDerWaalsContact O-N 3.12Å; E178-K182 VanDerWaalsContact OE1-CE 3.22Å; E178-K182 WeakPolarHBondContact OE1-CE 3.49Å; E178-K182 IonicContact OE1-NZ 3.6Å; E178-K182 PolarHBondContact OE1-NZ 2.79Å; E178-K182 IonicContact OE2-NZ 2.81Å; E178-K182 PolarHBondContact OE2-NZ 2.95Å; E179-K182 PolarHBondContact O-N 3.17Å; R180-K182 PolarHBondContact O-N 3.08Å; K182-R185 CarbonylContact O-C 3.6Å; K182-R185 VanDerWaalsContact O-C 3.28Å; K182-R185 WeakPolarHBondContact O-CA 3.33Å; K182-R185 PolarHBondContact O-N 3.32Å; K182-R185 VanDerWaalsContact O-N 3.17Å; K182-T186 WeakPolarHBondContact O-CG2 3.49Å; K182-T186 PolarHBondContact O-N 3.07Å |
| 183 | N | 90.3 | Very high | 86.3 | Confident | 58 Ų | 58 | 66.1 Ų | 66.1 | 31% | 0.31 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.7 | -38.7 | -178.4 | -74 | -31.4 | 0 | 0 | 0 | 112.9 | E179 R180 R185 T186 | E179-N183 WeakPolarHBondContact O-CB 3.48Å; E179-N183 PolarHBondContact O-N 3.23Å; E179-N183 PolarHBondContact O-ND2 2.88Å; E179-N183 VanDerWaalsContact O-ND2 3.09Å; R180-N183 WeakPolarHBondContact O-CA 3.37Å; R180-N183 WeakPolarHBondContact O-CB 3.26Å; R180-N183 PolarHBondContact O-N 3.25Å; N183-R185 VanDerWaalsContact C-N 3.34Å; N183-T186 WeakPolarHBondContact CA-OG1 3.17Å; N183-T186 PolarHBondContact O-N 2.93Å; N183-T186 PolarHBondContact O-OG1 3.47Å |
| 184 | E | 90.7 | Very high | 87.7 | Confident | 64 Ų | 64 | 59.1 Ų | 59.1 | 30% | 0.299 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.2 | -45.3 | 169.8 | -73.8 | 142.4 | -162.6 | 0 | 0 | 111.4 | R180 L181 T186 L277 | R180-E184 PolarHBondContact O-N 3.04Å; L181-E184 WeakPolarHBondContact CA-OE2 3.44Å; E184-T186 PolarHBondContact O-N 3.01Å; E184-L277 WeakPolarHBondContact O-CD2 3.26Å |
| 185 | R | 93.6 | Very high | 89 | Confident | 90 Ų | 90 | 59.6 Ų | 59.6 | 34% | 0.34 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 4.2 | 172.7 | -72.7 | -177 | -82.3 | -174.6 | -8.3 | 114.9 | L181 K182 N183 F250 K251 E253 | L181-R185 PolarHBondContact O-NE 2.99Å; L181-R185 PolarHBondContact O-NH2 3.11Å; K182-R185 CarbonylContact O-C 3.6Å; K182-R185 VanDerWaalsContact O-C 3.28Å; K182-R185 WeakPolarHBondContact O-CA 3.33Å; K182-R185 PolarHBondContact O-N 3.32Å; K182-R185 VanDerWaalsContact O-N 3.17Å; N183-R185 VanDerWaalsContact C-N 3.34Å; R185-F250 PolarHBondContact O-N 2.95Å; R185-K251 WeakPolarHBondContact CD-O 3.29Å; R185-K251 PolarHBondContact NH1-O 3.04Å; R185-E253 HydrophobicContact CG-CB 3.94Å; R185-E253 HydrophobicContact CG-CG 4.48Å |
| 186 | T | 94.2 | Very high | 89.3 | Confident | 8 Ų | 8 | 55.4 Ų | 55.4 | 5% | 0.049 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 133 | 174.2 | 66.1 | 0 | 0 | 0 | 0 | 113.5 | K182 N183 E184 V248 V249 A278 | K182-T186 WeakPolarHBondContact O-CG2 3.49Å; K182-T186 PolarHBondContact O-N 3.07Å; N183-T186 WeakPolarHBondContact CA-OG1 3.17Å; N183-T186 PolarHBondContact O-N 2.93Å; N183-T186 PolarHBondContact O-OG1 3.47Å; E184-T186 PolarHBondContact O-N 3.01Å; T186-V248 VanDerWaalsContact CA-O 3.29Å; T186-V248 WeakPolarHBondContact CA-O 3.45Å; T186-V249 HydrophobicContact CG2-CB 4.13Å; T186-V249 HydrophobicContact CG2-CG1 4.13Å; T186-V249 HydrophobicContact CG2-CG2 3.69Å; T186-A278 PolarHBondContact O-N 2.95Å; T186-A278 WeakPolarHBondContact OG1-CB 3.14Å |
| 187 | V | 94.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 128.3 | 171 | 176.7 | 0 | 0 | 0 | 0 | 109.1 | V189 Y247 V248 F250 A256 A259 V275 D276 | V187-V189 HydrophobicContact CG1-CG2 4.04Å; V187-Y247 WeakPolarHBondContact O-CA 3.4Å; V187-V248 PolarHBondContact N-O 2.81Å; V187-V248 PolarHBondContact O-N 3.02Å; V187-F250 HydrophobicContact CB-CE2 4.04Å; V187-F250 HydrophobicContact CG2-CD2 4.02Å; V187-F250 HydrophobicContact CG2-CE2 3.6Å; V187-A256 HydrophobicContact CG2-CB 3.61Å; V187-A259 HydrophobicContact CG2-CB 4.19Å; V187-V275 HydrophobicContact CG1-CG1 3.31Å; V187-D276 CarbonylContact C-O 3.53Å; V187-D276 WeakPolarHBondContact CA-O 3.24Å; V187-D276 WeakPolarHBondContact CG1-O 3.34Å |
| 188 | F | 93.6 | Very high | 90 | Very high | 30 Ų | 30 | 52.4 Ų | 52.4 | 13% | 0.132 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 125.8 | 167.5 | 172.3 | -97.5 | 0 | 0 | 0 | 109.7 | N245 Y247 V275 D276 | F188-N245 HydrophobicContact CE2-CB 3.8Å; F188-N245 HydrophobicContact CZ-CB 4.09Å; F188-Y247 HydrophobicContact CB-CD1 4.39Å; F188-Y247 HydrophobicContact CB-CE1 4.22Å; F188-Y247 HydrophobicContact CD2-CD1 4.37Å; F188-Y247 AromaticContact CD2-CE1 3.83Å; F188-Y247 HydrophobicContact CD2-CE1 3.83Å; F188-Y247 HydrophobicContact CD2-CE2 4.41Å; F188-Y247 AromaticContact CD2-CZ 3.84Å; F188-V275 WeakPolarHBondContact O-CA 3.36Å; F188-D276 HydrophobicContact CB-CB 4.42Å; F188-D276 HydrophobicContact CD1-CB 4.29Å; F188-D276 PolarHBondContact N-O 2.74Å; F188-D276 PolarHBondContact O-N 2.81Å |
| 189 | V | 92.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 107.4 | 177.3 | -169.9 | 0 | 0 | 0 | 0 | 109.1 | V187 L192 L201 F205 N245 A246 V248 I273 R274 | V187-V189 HydrophobicContact CG1-CG2 4.04Å; V189-L192 HydrophobicContact CB-CD1 4.12Å; V189-L192 HydrophobicContact CG1-CD1 3.84Å; V189-L192 HydrophobicContact CG1-CD2 3.88Å; V189-L192 HydrophobicContact CG1-CG 3.89Å; V189-L201 HydrophobicContact CG1-CD2 4.46Å; V189-F205 HydrophobicContact CG1-CE2 4.33Å; V189-F205 HydrophobicContact CG1-CZ 4.39Å; V189-F205 HydrophobicContact CG2-CE2 3.85Å; V189-F205 HydrophobicContact CG2-CZ 3.86Å; V189-N245 CarbonylContact O-C 3.55Å; V189-N245 WeakPolarHBondContact O-CA 3.33Å; V189-A246 PolarHBondContact N-O 3.5Å; V189-A246 PolarHBondContact O-N 3.37Å; V189-V248 HydrophobicContact CG2-CG2 3.96Å; V189-I273 HydrophobicContact CG1-CB 4.17Å; V189-I273 HydrophobicContact CG1-CD1 4.22Å; V189-I273 HydrophobicContact CG1-CG2 4.33Å; V189-R274 CarbonylContact C-O 3.46Å; V189-R274 WeakPolarHBondContact CA-O 3.38Å |
| 190 | G | 91.3 | Very high | 90.7 | Very high | 3 Ų | 3 | 58 Ų | 58 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 163.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L192 I273 R274 | G190-L192 VanDerWaalsContact C-N 3.34Å; G190-L192 PolarHBondContact O-N 2.81Å; G190-I273 WeakPolarHBondContact O-CA 3.37Å; G190-R274 PolarHBondContact N-O 3.48Å; G190-R274 PolarHBondContact O-N 3.17Å |
| 191 | N | 90.7 | Very high | 91.1 | Very high | 13 Ų | 13 | 51.3 Ų | 51.3 | 7% | 0.07 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 60.3 | 34.4 | 177.4 | -162.3 | 43.7 | 0 | 0 | 0 | 115.2 | N243 I244 R272 | N191-N243 PolarHBondContact OD1-ND2 3.46Å; N191-I244 PolarHBondContact N-O 3.26Å; N191-R272 PolarHBondContact ND2-O 2.86Å |
| 192 | L | 91.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 141.6 | 172.7 | -67.7 | 162.3 | 0 | 0 | 0 | 110.2 | V189 G190 L201 N243 I244 A246 I267 I273 | V189-L192 HydrophobicContact CB-CD1 4.12Å; V189-L192 HydrophobicContact CG1-CD1 3.84Å; V189-L192 HydrophobicContact CG1-CD2 3.88Å; V189-L192 HydrophobicContact CG1-CG 3.89Å; G190-L192 VanDerWaalsContact C-N 3.34Å; G190-L192 PolarHBondContact O-N 2.81Å; L192-L201 HydrophobicContact CD1-CD1 3.98Å; L192-L201 HydrophobicContact CD1-CD2 4.07Å; L192-L201 HydrophobicContact CD2-CD2 3.8Å; L192-N243 CarbonylContact O-C 3.59Å; L192-N243 WeakPolarHBondContact O-CA 3.34Å; L192-I244 HydrophobicContact CB-CG1 3.96Å; L192-I244 PolarHBondContact N-O 3.48Å; L192-I244 WeakPolarHBondContact O-CG1 3.47Å; L192-I244 PolarHBondContact O-N 3.32Å; L192-A246 HydrophobicContact CD1-CB 3.62Å; L192-I267 HydrophobicContact CD2-CD1 3.94Å; L192-I273 HydrophobicContact CD2-CG2 3.66Å; L192-I273 HydrophobicContact CG-CG2 4.39Å |
| 193 | P | 90.8 | Very high | 91.6 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.019 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 149.2 | 173.8 | 29.3 | -34.9 | 0 | 0 | 0 | 110.9 | T195 C196 A268 F271 | P193-T195 PolarHBondContact O-N 2.95Å; P193-T195 VanDerWaalsContact O-N 3.07Å; P193-C196 HydrophobicContact CG-CB 4.29Å; P193-C196 WeakPolarHBondContact O-CB 3.41Å; P193-C196 PolarHBondContact O-N 2.8Å; P193-A268 HydrophobicContact CG-CB 4.09Å; P193-F271 HydrophobicContact CB-CD1 3.77Å; P193-F271 HydrophobicContact CB-CD2 3.96Å; P193-F271 HydrophobicContact CB-CE1 3.76Å; P193-F271 HydrophobicContact CB-CE2 3.96Å; P193-F271 HydrophobicContact CB-CG 3.87Å; P193-F271 HydrophobicContact CB-CZ 3.86Å; P193-F271 HydrophobicContact CG-CB 4.43Å; P193-F271 HydrophobicContact CG-CD1 4.36Å; P193-F271 HydrophobicContact CG-CD2 4.43Å; P193-F271 HydrophobicContact CG-CG 4.16Å |
| 194 | V | 87.6 | Confident | 91.7 | Very high | 44 Ų | 44 | 51 Ų | 51 | 27% | 0.267 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -25.7 | 179.6 | -166.6 | 0 | 0 | 0 | 0 | 113 | C196 I237 Q241 K242 I244 | V194-C196 PolarHBondContact O-N 3.36Å; V194-I237 HydrophobicContact CG1-CB 4.43Å; V194-I237 HydrophobicContact CG1-CD1 3.4Å; V194-I237 HydrophobicContact CG1-CG1 4.48Å; V194-I237 HydrophobicContact CG1-CG2 4.11Å; V194-Q241 HydrophobicContact CG2-CG 4.33Å; V194-Q241 WeakPolarHBondContact CG2-O 3.41Å; V194-K242 VanDerWaalsContact CG2-C 3.49Å; V194-K242 WeakPolarHBondContact CG2-O 3.43Å; V194-K242 PolarHBondContact N-O 3.28Å; V194-I244 HydrophobicContact CG2-CG2 4.19Å |
| 195 | T | 87.6 | Confident | 91.9 | Very high | 107 Ų | 107 | 48 Ų | 48 | 66% | 0.656 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -8.7 | 177.5 | 56.6 | 0 | 0 | 0 | 0 | 114.1 | P193 N197 | P193-T195 PolarHBondContact O-N 2.95Å; P193-T195 VanDerWaalsContact O-N 3.07Å; T195-N197 PolarHBondContact O-N 2.83Å; T195-N197 VanDerWaalsContact O-N 3.11Å |
| 196 | C | 87.9 | Confident | 91.8 | Very high | 6 Ų | 6 | 51.6 Ų | 51.6 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | trans | -72 | 104.5 | -179.2 | -98.8 | 0 | 0 | 0 | 0 | 113.1 | P193 V194 F216 I267 | P193-C196 HydrophobicContact CG-CB 4.29Å; P193-C196 WeakPolarHBondContact O-CB 3.41Å; P193-C196 PolarHBondContact O-N 2.8Å; V194-C196 PolarHBondContact O-N 3.36Å; C196-F216 WeakPolarHBondContact O-CZ 3.45Å; C196-I267 WeakPolarHBondContact SG-CG2 3.44Å | ||
| 197 | N | 90.8 | Very high | 91.8 | Very high | 75 Ų | 75 | 57 Ų | 57 | 40% | 0.401 | 28% | 0.279 | S | S | . | . | trans | -73.4 | 151.9 | 170.6 | -65.5 | -63.9 | 0 | 0 | 0 | 111.8 | T195 K199 K200 R235 | T195-N197 PolarHBondContact O-N 2.83Å; T195-N197 VanDerWaalsContact O-N 3.11Å; N197-K199 PolarHBondContact O-N 3.07Å; N197-K200 PolarHBondContact O-N 2.88Å; N197-R235 PolarHBondContact OD1-NH2 2.86Å | ||
| 198 | K | 91.4 | Very high | 91.8 | Very high | 116 Ų | 116 | 58.5 Ų | 58.5 | 50% | 0.504 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -50.6 | -32.8 | 176.9 | -60.6 | -166.4 | -176.7 | -159.4 | 0 | 113.8 | L201 K202 V214 F216 | K198-L201 PolarHBondContact O-N 3.14Å; K198-K202 PolarHBondContact O-N 2.8Å; K198-V214 HydrophobicContact CD-CB 4.44Å; K198-V214 WeakPolarHBondContact CE-O 3.43Å; K198-V214 HydrophobicContact CG-CG1 4.49Å; K198-V214 PolarHBondContact NZ-O 2.9Å; K198-F216 HydrophobicContact CG-CD2 4.32Å; K198-F216 HydrophobicContact CG-CE2 3.5Å; K198-F216 HydrophobicContact CG-CZ 4.1Å |
| 199 | K | 92 | Very high | 91.8 | Very high | 182 Ų | 182 | 58.2 Ų | 58.2 | 79% | 0.791 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -60.2 | -44.4 | 176.5 | -66.9 | -170.4 | 178.3 | -173.8 | 0 | 112.3 | N197 K202 S203 | N197-K199 PolarHBondContact O-N 3.07Å; K199-K202 PolarHBondContact O-N 3.27Å; K199-S203 PolarHBondContact O-N 3.34Å; K199-S203 PolarHBondContact O-OG 3.06Å |
| 200 | K | 92.3 | Very high | 91.9 | Very high | 119 Ų | 119 | 64.1 Ų | 64.1 | 52% | 0.517 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 179 | -74 | -163.7 | 171.5 | -165 | 0 | 112 | N197 S203 F204 | N197-K200 PolarHBondContact O-N 2.88Å; K200-S203 PolarHBondContact O-N 2.82Å; K200-S203 PolarHBondContact O-OG 3.39Å; K200-F204 WeakPolarHBondContact O-CB 3.17Å; K200-F204 PolarHBondContact O-N 3.13Å |
| 201 | L | 92.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 172.8 | -81.5 | 172.5 | 0 | 0 | 0 | 111.9 | V189 L192 K198 S203 F204 F205 V214 F216 A246 I267 | V189-L201 HydrophobicContact CG1-CD2 4.46Å; L192-L201 HydrophobicContact CD1-CD1 3.98Å; L192-L201 HydrophobicContact CD1-CD2 4.07Å; L192-L201 HydrophobicContact CD2-CD2 3.8Å; K198-L201 PolarHBondContact O-N 3.14Å; L201-S203 VanDerWaalsContact C-N 3.32Å; L201-S203 PolarHBondContact O-N 2.56Å; L201-F204 PolarHBondContact O-N 3.34Å; L201-F205 HydrophobicContact CD2-CD2 4.22Å; L201-F205 HydrophobicContact CD2-CE2 3.9Å; L201-F205 PolarHBondContact O-N 2.99Å; L201-F205 VanDerWaalsContact O-N 3.12Å; L201-V214 HydrophobicContact CD1-CG1 3.79Å; L201-F216 HydrophobicContact CD1-CE1 3.58Å; L201-F216 HydrophobicContact CD1-CZ 3.93Å; L201-A246 HydrophobicContact CD1-CB 3.96Å; L201-I267 HydrophobicContact CD2-CD1 4.38Å |
| 202 | K | 93.6 | Very high | 92.3 | Very high | 84 Ų | 84 | 69.3 Ų | 69.3 | 37% | 0.365 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.6 | -32.9 | 178.8 | -77.9 | -145.1 | 176.2 | -158.4 | 0 | 113.1 | K198 K199 K206 I211 E212 V214 | K198-K202 PolarHBondContact O-N 2.8Å; K199-K202 PolarHBondContact O-N 3.27Å; K202-K206 WeakPolarHBondContact O-CB 3.45Å; K202-K206 PolarHBondContact O-N 2.92Å; K202-I211 HydrophobicContact CB-CD1 4.3Å; K202-I211 HydrophobicContact CD-CB 4.34Å; K202-I211 HydrophobicContact CD-CG2 4.24Å; K202-I211 HydrophobicContact CG-CB 4.49Å; K202-I211 HydrophobicContact CG-CD1 4.19Å; K202-I211 HydrophobicContact CG-CG2 4.23Å; K202-I211 PolarHBondContact NZ-O 2.78Å; K202-E212 PolarHBondContact NZ-O 3.04Å; K202-V214 HydrophobicContact CG-CG2 3.99Å |
| 203 | S | 93.6 | Very high | 92.3 | Very high | 82 Ų | 82 | 71.6 Ų | 71.6 | 57% | 0.573 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -73.2 | -43.5 | 172.9 | 53.7 | 0 | 0 | 0 | 0 | 112.4 | K199 K200 L201 F205 K206 | K199-S203 PolarHBondContact O-N 3.34Å; K199-S203 PolarHBondContact O-OG 3.06Å; K200-S203 PolarHBondContact O-N 2.82Å; K200-S203 PolarHBondContact O-OG 3.39Å; L201-S203 VanDerWaalsContact C-N 3.32Å; L201-S203 PolarHBondContact O-N 2.56Å; S203-F205 VanDerWaalsContact C-N 3.33Å; S203-F205 PolarHBondContact O-N 3.33Å; S203-K206 WeakPolarHBondContact O-CB 3.45Å; S203-K206 PolarHBondContact O-N 3.47Å |
| 204 | F | 92.7 | Very high | 92.5 | Very high | 44 Ų | 44 | 71.9 Ų | 71.9 | 19% | 0.193 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.9 | -36.3 | -177.5 | -173.2 | -89.6 | 0 | 0 | 0 | 113.4 | K200 L201 R262 A265 I267 I273 | K200-F204 WeakPolarHBondContact O-CB 3.17Å; K200-F204 PolarHBondContact O-N 3.13Å; L201-F204 PolarHBondContact O-N 3.34Å; F204-R262 HydrophobicContact CE1-CB 3.93Å; F204-R262 HydrophobicContact CE1-CG 3.91Å; F204-R262 HydrophobicContact CZ-CB 4.35Å; F204-R262 HydrophobicContact CZ-CG 4.25Å; F204-A265 HydrophobicContact CZ-CB 3.85Å; F204-I267 HydrophobicContact CB-CD1 4.45Å; F204-I267 HydrophobicContact CD1-CD1 3.95Å; F204-I267 HydrophobicContact CD2-CD1 4.05Å; F204-I267 HydrophobicContact CD2-CG1 3.92Å; F204-I267 HydrophobicContact CE1-CD1 4.15Å; F204-I267 HydrophobicContact CE1-CG1 4.38Å; F204-I267 HydrophobicContact CE2-CD1 4.24Å; F204-I267 HydrophobicContact CE2-CG1 3.77Å; F204-I267 HydrophobicContact CG-CD1 3.89Å; F204-I267 HydrophobicContact CG-CG1 4.28Å; F204-I267 HydrophobicContact CZ-CD1 4.28Å; F204-I267 HydrophobicContact CZ-CG1 4.01Å; F204-I273 HydrophobicContact CE1-CD1 3.74Å; F204-I273 HydrophobicContact CZ-CD1 4.16Å |
| 205 | F | 94.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 2 | 179.1 | -72.4 | -73.1 | 0 | 0 | 0 | 114.2 | V189 L201 S203 E207 Y208 I211 F250 A259 R262 I273 V275 | V189-F205 HydrophobicContact CG1-CE2 4.33Å; V189-F205 HydrophobicContact CG1-CZ 4.39Å; V189-F205 HydrophobicContact CG2-CE2 3.85Å; V189-F205 HydrophobicContact CG2-CZ 3.86Å; L201-F205 HydrophobicContact CD2-CD2 4.22Å; L201-F205 HydrophobicContact CD2-CE2 3.9Å; L201-F205 PolarHBondContact O-N 2.99Å; L201-F205 VanDerWaalsContact O-N 3.12Å; S203-F205 VanDerWaalsContact C-N 3.33Å; S203-F205 PolarHBondContact O-N 3.33Å; F205-E207 PolarHBondContact O-N 3.3Å; F205-Y208 HydrophobicContact CD1-CD2 4.25Å; F205-Y208 PolarHBondContact O-N 3.12Å; F205-I211 HydrophobicContact CB-CD1 3.67Å; F205-I211 HydrophobicContact CB-CG1 4.5Å; F205-F250 HydrophobicContact CB-CE1 4.3Å; F205-F250 HydrophobicContact CB-CZ 3.96Å; F205-F250 HydrophobicContact CD1-CZ 4.26Å; F205-F250 HydrophobicContact CG-CZ 4.31Å; F205-A259 HydrophobicContact CD1-CB 3.84Å; F205-A259 HydrophobicContact CE1-CB 3.95Å; F205-R262 HydrophobicContact CE1-CB 4.41Å; F205-I273 HydrophobicContact CZ-CD1 4.01Å; F205-V275 HydrophobicContact CE1-CG1 4.45Å; F205-V275 HydrophobicContact CZ-CG2 4.27Å |
| 206 | K | 93.2 | Very high | 92.7 | Very high | 166 Ų | 166 | 74.3 Ų | 74.3 | 72% | 0.722 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -32.6 | 179 | -170 | -172 | 172.7 | -163.3 | 0 | 112.5 | K202 S203 Y208 G209 | K202-K206 WeakPolarHBondContact O-CB 3.45Å; K202-K206 PolarHBondContact O-N 2.92Å; S203-K206 WeakPolarHBondContact O-CB 3.45Å; S203-K206 PolarHBondContact O-N 3.47Å; K206-Y208 PolarHBondContact O-N 3.41Å; K206-G209 PolarHBondContact O-N 3.28Å |
| 207 | E | 93.6 | Very high | 92.6 | Very high | 123 Ų | 123 | 80.6 Ų | 80.6 | 58% | 0.575 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -33.5 | -179.5 | -170.2 | -178.9 | 122.6 | 0 | 0 | 113.3 | F205 R262 | F205-E207 PolarHBondContact O-N 3.3Å; E207-R262 IonicContact OE1-CZ 3.48Å; E207-R262 IonicContact OE1-NH2 3.39Å; E207-R262 PolarHBondContact OE1-NH2 3.49Å; E207-R262 IonicContact OE2-CZ 2.78Å; E207-R262 IonicContact OE2-NH1 2.77Å; E207-R262 IonicContact OE2-NH2 3.76Å; E207-R262 PolarHBondContact OE2-NH2 3.38Å |
| 208 | Y | 93 | Very high | 92.2 | Very high | 30 Ų | 30 | 79.4 Ų | 79.4 | 12% | 0.118 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -16.8 | -175.2 | -58.5 | -61.6 | 0 | 0 | 0 | 114.2 | F205 K206 A255 Q258 A259 R262 | F205-Y208 HydrophobicContact CD1-CD2 4.25Å; F205-Y208 PolarHBondContact O-N 3.12Å; K206-Y208 PolarHBondContact O-N 3.41Å; Y208-A255 WeakPolarHBondContact O-CA 3.43Å; Y208-A255 WeakPolarHBondContact O-CB 3.03Å; Y208-Q258 HydrophobicContact CD1-CB 3.73Å; Y208-Q258 HydrophobicContact CG-CB 4.24Å; Y208-A259 HydrophobicContact CD2-CB 4.25Å; Y208-A259 HydrophobicContact CG-CB 4.43Å; Y208-R262 HydrophobicContact CE2-CG 3.56Å; Y208-R262 VanDerWaalsContact OH-CZ 3.24Å; Y208-R262 PolarHBondContact OH-NE 2.84Å; Y208-R262 PolarHBondContact OH-NH2 3.14Å; Y208-R262 VanDerWaalsContact OH-NH2 3.13Å |
| 209 | G | 94.3 | Very high | 91.7 | Very high | 24 Ų | 24 | 75 Ų | 75 | 25% | 0.247 | 36% | 0.355 | C | S | . | . | trans | 157.2 | -179.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | K206 I211 | K206-G209 PolarHBondContact O-N 3.28Å; G209-I211 PolarHBondContact O-N 2.99Å | ||
| 210 | Q | 94.8 | Very high | 91.2 | Very high | 125 Ų | 125 | 66.8 Ų | 66.8 | 58% | 0.584 | 32% | 0.319 | S | S | * | . | trans | -83 | 115.4 | -175.7 | -166.6 | 167.7 | 82.6 | 0 | 0 | 111.6 | K251 | Q210-K251 HydrophobicContact CB-CD 4.29Å; Q210-K251 HydrophobicContact CG-CD 4.3Å; Q210-K251 PolarHBondContact O-N 3.4Å | ||
| 211 | I | 96.1 | Very high | 90.7 | Very high | 15 Ų | 15 | 62.3 Ų | 62.3 | 8% | 0.077 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 118.9 | -178.9 | -58.8 | 158.4 | 0 | 0 | 0 | 109.9 | K202 F205 G209 V214 V248 V249 F250 | K202-I211 HydrophobicContact CB-CD1 4.3Å; K202-I211 HydrophobicContact CD-CB 4.34Å; K202-I211 HydrophobicContact CD-CG2 4.24Å; K202-I211 HydrophobicContact CG-CB 4.49Å; K202-I211 HydrophobicContact CG-CD1 4.19Å; K202-I211 HydrophobicContact CG-CG2 4.23Å; K202-I211 PolarHBondContact NZ-O 2.78Å; F205-I211 HydrophobicContact CB-CD1 3.67Å; F205-I211 HydrophobicContact CB-CG1 4.5Å; G209-I211 PolarHBondContact O-N 2.99Å; I211-V214 HydrophobicContact CG2-CG2 3.86Å; I211-V248 HydrophobicContact CB-CG1 4.49Å; I211-V248 HydrophobicContact CD1-CG1 4.29Å; I211-V248 HydrophobicContact CG1-CG1 4.04Å; I211-V248 HydrophobicContact CG2-CG1 3.65Å; I211-V249 CarbonylContact C-O 3.57Å; I211-V249 WeakPolarHBondContact CG2-O 3.39Å; I211-F250 HydrophobicContact CD1-CE1 4.4Å; I211-F250 HydrophobicContact CG1-CD1 3.88Å; I211-F250 HydrophobicContact CG1-CE1 3.61Å; I211-F250 HydrophobicContact CG1-CZ 4.26Å |
| 212 | E | 94.1 | Very high | 90.2 | Very high | 110 Ų | 110 | 63.5 Ų | 63.5 | 51% | 0.514 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | -71.7 | 171.6 | -171.3 | -154.6 | 136.7 | 0 | 0 | 109.7 | K202 V249 | K202-E212 PolarHBondContact NZ-O 3.04Å; E212-V249 HydrophobicContact CB-CB 4.29Å; E212-V249 HydrophobicContact CB-CG1 4.28Å; E212-V249 PolarHBondContact N-O 2.93Å; E212-V249 WeakPolarHBondContact OE2-CG1 3.45Å |
| 213 | S | 92.9 | Very high | 88.9 | Confident | 47 Ų | 47 | 66.3 Ų | 66.3 | 33% | 0.329 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 161.4 | -173.1 | 88.5 | 0 | 0 | 0 | 0 | 114 | V249 | S213-V249 PolarHBondContact N-O 3Å; S213-V249 PolarHBondContact O-N 3Å; S213-V249 WeakPolarHBondContact OG-CG2 3.42Å |
| 214 | V | 93.8 | Very high | 87.8 | Confident | 9 Ų | 9 | 66.5 Ų | 66.5 | 6% | 0.055 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 120.7 | 178.8 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | K198 L201 K202 I211 Y247 V248 | K198-V214 HydrophobicContact CD-CB 4.44Å; K198-V214 WeakPolarHBondContact CE-O 3.43Å; K198-V214 HydrophobicContact CG-CG1 4.49Å; K198-V214 PolarHBondContact NZ-O 2.9Å; L201-V214 HydrophobicContact CD1-CG1 3.79Å; K202-V214 HydrophobicContact CG-CG2 3.99Å; I211-V214 HydrophobicContact CG2-CG2 3.86Å; V214-Y247 WeakPolarHBondContact CA-O 3.36Å; V214-V248 HydrophobicContact CG2-CG1 4.46Å; V214-V248 HydrophobicContact CG2-CG2 4.49Å |
| 215 | R | 91.1 | Very high | 86.5 | Confident | 155 Ų | 155 | 66 Ų | 66 | 59% | 0.585 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 103.8 | -173.3 | -179.9 | -172.6 | -173.6 | -172.7 | 5.8 | 110.2 | A246 Y247 | R215-A246 CarbonylContact O-C 3.49Å; R215-A246 WeakPolarHBondContact O-CA 3.35Å; R215-Y247 PolarHBondContact N-O 3.43Å; R215-Y247 PolarHBondContact O-N 2.82Å |
| 216 | F | 89.9 | Confident | 85.4 | Confident | 48 Ų | 48 | 70.4 Ų | 70.4 | 21% | 0.211 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 146.5 | 171.1 | -66.4 | -62 | 0 | 0 | 0 | 111.8 | C196 K198 L201 L219 I244 N245 A246 | C196-F216 WeakPolarHBondContact O-CZ 3.45Å; K198-F216 HydrophobicContact CG-CD2 4.32Å; K198-F216 HydrophobicContact CG-CE2 3.5Å; K198-F216 HydrophobicContact CG-CZ 4.1Å; L201-F216 HydrophobicContact CD1-CE1 3.58Å; L201-F216 HydrophobicContact CD1-CZ 3.93Å; F216-L219 HydrophobicContact CB-CD1 3.74Å; F216-I244 HydrophobicContact CD1-CD1 3.7Å; F216-I244 HydrophobicContact CE1-CD1 3.87Å; F216-I244 HydrophobicContact CG-CD1 4.34Å; F216-N245 WeakPolarHBondContact CA-O 3.34Å; F216-A246 HydrophobicContact CD1-CB 3.85Å; F216-A246 HydrophobicContact CE1-CB 4.15Å |
| 217 | R | 85.6 | Confident | 84.5 | Confident | 138 Ų | 138 | 66.3 Ų | 66.3 | 52% | 0.521 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 168.3 | 179.7 | -172.5 | 59 | -172.2 | -172.9 | 0 | 109.6 | L219 N245 Y247 | R217-L219 PolarHBondContact O-N 2.83Å; R217-L219 VanDerWaalsContact O-N 3.14Å; R217-N245 PolarHBondContact N-O 2.91Å; R217-N245 PolarHBondContact O-N 3.09Å; R217-Y247 HydrophobicContact CB-CD2 4.43Å; R217-Y247 HydrophobicContact CB-CE2 4.14Å; R217-Y247 HydrophobicContact CG-CE2 4.23Å |
| 218 | S | 82.3 | Confident | 83.7 | Confident | 50 Ų | 50 | 66.6 Ų | 66.6 | 35% | 0.35 | 36% | 0.357 | S | S | . | . | trans | 65.3 | 9.9 | 178 | -46.3 | 0 | 0 | 0 | 0 | 115.7 | I220 Q241 N245 | S218-I220 PolarHBondContact O-N 2.9Å; S218-Q241 PolarHBondContact O-NE2 3.27Å; S218-N245 PolarHBondContact OG-ND2 2.8Å | ||
| 219 | L | 81.1 | Confident | 82.8 | Confident | 22 Ų | 22 | 73.5 Ų | 73.5 | 12% | 0.115 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 120.3 | 173.7 | -73.3 | 158 | 0 | 0 | 0 | 110.9 | F216 R217 A232 I237 I244 | F216-L219 HydrophobicContact CB-CD1 3.74Å; R217-L219 PolarHBondContact O-N 2.83Å; R217-L219 VanDerWaalsContact O-N 3.14Å; L219-A232 HydrophobicContact CD1-CB 3.77Å; L219-I237 HydrophobicContact CD2-CD1 3.54Å; L219-I237 HydrophobicContact CD2-CG1 4.13Å; L219-I244 HydrophobicContact CD2-CG2 3.67Å; L219-I244 HydrophobicContact CG-CG2 4.21Å |
| 220 | I | 81.3 | Confident | 82.1 | Confident | 10 Ų | 10 | 75.6 Ų | 75.6 | 5% | 0.051 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -99 | 116 | 176.4 | -58.6 | 178.8 | 0 | 0 | 0 | 108 | S218 I237 H238 V323 | S218-I220 PolarHBondContact O-N 2.9Å; I220-I237 WeakPolarHBondContact O-CA 3.32Å; I220-H238 HydrophobicContact CB-CB 4.39Å; I220-H238 HydrophobicContact CG2-CB 3.98Å; I220-H238 PolarHBondContact O-N 3.32Å; I220-H238 VanDerWaalsContact O-N 3.12Å; I220-V323 WeakPolarHBondContact CG2-O 3.24Å |
| 221 | P | 81.1 | Confident | 81.4 | Confident | 25 Ų | 25 | 69.8 Ų | 69.8 | 16% | 0.162 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -57.2 | 148.3 | 171.6 | -22.1 | 33.7 | 0 | 0 | 0 | 111.3 | E223 K228 A231 | P221-E223 PolarHBondContact O-N 3.02Å; P221-K228 HydrophobicContact CG-CG 4.07Å; P221-A231 HydrophobicContact CB-CB 3.71Å; P221-A231 HydrophobicContact CG-CB 3.82Å |
| 222 | A | 81.3 | Confident | 80.5 | Confident | 27 Ų | 27 | 70.8 Ų | 70.8 | 22% | 0.223 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 133.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | G224 T225 K236 | A222-G224 PolarHBondContact O-N 3.13Å; A222-T225 VanDerWaalsContact O-CB 3.31Å; A222-T225 WeakPolarHBondContact O-CB 3.15Å; A222-T225 PolarHBondContact O-N 2.87Å; A222-T225 PolarHBondContact O-OG1 2.84Å; A222-K236 HydrophobicContact CB-CB 4.5Å; A222-K236 PolarHBondContact N-O 3.25Å |
| 223 | E | 66.5 | Low | 79.7 | Confident | 142 Ų | 142 | 71.9 Ų | 71.9 | 66% | 0.664 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.1 | 135.1 | -175.9 | -74.3 | -66.1 | 171.5 | 0 | 0 | 111.7 | P221 | P221-E223 PolarHBondContact O-N 3.02Š|
| 224 | G | 70.6 | Confident | 79.1 | Confident | 86 Ų | 86 | 75.6 Ų | 75.6 | 89% | 0.887 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.3 | -3.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | A222 | A222-G224 PolarHBondContact O-N 3.13Š|
| 225 | T | 67 | Low | 78.3 | Confident | 35 Ų | 35 | 83.5 Ų | 83.5 | 22% | 0.215 | 42% | 0.424 | C | S | . | . | trans | -95.4 | 131.9 | 176.6 | -58.3 | 0 | 0 | 0 | 0 | 113.8 | A222 K236 | A222-T225 VanDerWaalsContact O-CB 3.31Å; A222-T225 WeakPolarHBondContact O-CB 3.15Å; A222-T225 PolarHBondContact O-N 2.87Å; A222-T225 PolarHBondContact O-OG1 2.84Å; T225-K236 HydrophobicContact CG2-CB 4.05Å; T225-K236 HydrophobicContact CG2-CD 4.14Å | ||
| 226 | L | 69.2 | Low | 77.9 | Confident | 92 Ų | 92 | 81.9 Ų | 81.9 | 48% | 0.482 | 42% | 0.421 | S | S | . | . | trans | -9.5 | 145.5 | 159.4 | -62.4 | 164.7 | 0 | 0 | 0 | 118.1 | L230 K234 | L226-L230 HydrophobicContact CB-CB 3.8Å; L226-L230 HydrophobicContact CB-CD1 3.92Å; L226-L230 HydrophobicContact CD1-CB 4.47Å; L226-L230 HydrophobicContact CD1-CD1 4.3Å; L226-L230 HydrophobicContact CD2-CD1 4.28Å; L226-L230 HydrophobicContact CG-CD1 4.41Å; L226-K234 HydrophobicContact CD1-CD 4.49Å | ||
| 227 | S | 74.6 | Confident | 77.5 | Confident | 80 Ų | 80 | 81 Ų | 81 | 56% | 0.559 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -33.1 | 145.9 | -177.3 | 77.3 | 0 | 0 | 0 | 0 | 116.4 | K229 L230 A231 | S227-K229 CarbonylContact O-C 3.28Å; S227-K229 PolarHBondContact O-N 2.91Å; S227-L230 WeakPolarHBondContact O-CA 3.5Å; S227-L230 WeakPolarHBondContact O-CB 3.27Å; S227-L230 PolarHBondContact O-N 2.81Å; S227-A231 PolarHBondContact O-N 3.12Å |
| 228 | K | 77.4 | Confident | 77.3 | Confident | 128 Ų | 128 | 76.5 Ų | 76.5 | 56% | 0.557 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -49.6 | -27.1 | -168 | -53.4 | -167.3 | -179.5 | -164.5 | 0 | 115.9 | P221 A232 | P221-K228 HydrophobicContact CG-CG 4.07Å; K228-A232 WeakPolarHBondContact O-CB 3.37Å; K228-A232 PolarHBondContact O-N 2.69Å |
| 229 | K | 74.7 | Confident | 77.3 | Confident | 175 Ų | 175 | 79.2 Ų | 79.2 | 76% | 0.761 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -67.9 | -44.9 | 171.2 | -68.3 | -177.1 | 179 | 179.6 | 0 | 112.7 | S227 A232 I233 | S227-K229 CarbonylContact O-C 3.28Å; S227-K229 PolarHBondContact O-N 2.91Å; K229-A232 WeakPolarHBondContact O-CB 3.41Å; K229-A232 PolarHBondContact O-N 2.83Å; K229-I233 WeakPolarHBondContact O-CG1 3.22Å; K229-I233 PolarHBondContact O-N 3.18Å; K229-I233 VanDerWaalsContact O-N 3.13Å |
| 230 | L | 78.5 | Confident | 77.3 | Confident | 69 Ų | 69 | 80.5 Ų | 80.5 | 36% | 0.361 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -72.4 | -38 | -179.7 | -66.2 | 170.4 | 0 | 0 | 0 | 111.8 | L226 S227 A232 I233 K234 | L226-L230 HydrophobicContact CB-CB 3.8Å; L226-L230 HydrophobicContact CB-CD1 3.92Å; L226-L230 HydrophobicContact CD1-CB 4.47Å; L226-L230 HydrophobicContact CD1-CD1 4.3Å; L226-L230 HydrophobicContact CD2-CD1 4.28Å; L226-L230 HydrophobicContact CG-CD1 4.41Å; S227-L230 WeakPolarHBondContact O-CA 3.5Å; S227-L230 WeakPolarHBondContact O-CB 3.27Å; S227-L230 PolarHBondContact O-N 2.81Å; L230-A232 VanDerWaalsContact C-N 3.3Å; L230-A232 PolarHBondContact O-N 2.68Å; L230-I233 PolarHBondContact O-N 2.9Å; L230-K234 WeakPolarHBondContact O-CB 3.47Å; L230-K234 PolarHBondContact O-N 3.18Å |
| 231 | A | 81.4 | Confident | 77.2 | Confident | 2 Ų | 2 | 80.9 Ų | 80.9 | 2% | 0.017 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -57.4 | -42.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112 | P221 S227 R235 K236 | P221-A231 HydrophobicContact CB-CB 3.71Å; P221-A231 HydrophobicContact CG-CB 3.82Å; S227-A231 PolarHBondContact O-N 3.12Å; A231-R235 CarbonylContact O-C 3.57Å; A231-R235 WeakPolarHBondContact O-CA 3.46Å; A231-R235 PolarHBondContact O-N 3.14Å; A231-K236 PolarHBondContact O-N 3.16Å |
| 232 | A | 76.4 | Confident | 77.3 | Confident | 36 Ų | 36 | 85.5 Ų | 85.5 | 30% | 0.298 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L219 K228 K229 L230 R235 | L219-A232 HydrophobicContact CD1-CB 3.77Å; K228-A232 WeakPolarHBondContact O-CB 3.37Å; K228-A232 PolarHBondContact O-N 2.69Å; K229-A232 WeakPolarHBondContact O-CB 3.41Å; K229-A232 PolarHBondContact O-N 2.83Å; L230-A232 VanDerWaalsContact C-N 3.3Å; L230-A232 PolarHBondContact O-N 2.68Å; A232-R235 PolarHBondContact O-N 3.37Å |
| 233 | I | 77.4 | Confident | 77.6 | Confident | 133 Ų | 133 | 85 Ų | 85 | 68% | 0.682 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -66.5 | -45.7 | 179.2 | -68 | 162.7 | 0 | 0 | 0 | 110.9 | K229 L230 R235 | K229-I233 WeakPolarHBondContact O-CG1 3.22Å; K229-I233 PolarHBondContact O-N 3.18Å; K229-I233 VanDerWaalsContact O-N 3.13Å; L230-I233 PolarHBondContact O-N 2.9Å; I233-R235 PolarHBondContact O-N 2.67Å |
| 234 | K | 80 | Confident | 78.7 | Confident | 126 Ų | 126 | 78.5 Ų | 78.5 | 55% | 0.548 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 0.2 | 178.1 | -65.1 | -172.5 | 174.9 | -173.4 | 0 | 113.6 | L226 L230 K236 | L226-K234 HydrophobicContact CD1-CD 4.49Å; L230-K234 WeakPolarHBondContact O-CB 3.47Å; L230-K234 PolarHBondContact O-N 3.18Å; K234-K236 HydrophobicContact CB-CG 4.29Å; K234-K236 PolarHBondContact O-N 3.21Å |
| 235 | R | 76.9 | Confident | 79.7 | Confident | 175 Ų | 175 | 76.5 Ų | 76.5 | 66% | 0.66 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 23.6 | -172.5 | -64.1 | -178.7 | 175.4 | 145.4 | -3.6 | 114.7 | N197 A231 A232 I233 I237 | N197-R235 PolarHBondContact OD1-NH2 2.86Å; A231-R235 CarbonylContact O-C 3.57Å; A231-R235 WeakPolarHBondContact O-CA 3.46Å; A231-R235 PolarHBondContact O-N 3.14Å; A232-R235 PolarHBondContact O-N 3.37Å; I233-R235 PolarHBondContact O-N 2.67Å; R235-I237 PolarHBondContact O-N 3.2Å |
| 236 | K | 82.8 | Confident | 81 | Confident | 120 Ų | 120 | 74.9 Ų | 74.9 | 52% | 0.522 | 37% | 0.368 | S | S | . | . | trans | -83.1 | 80.9 | 177.1 | -74.1 | -161.6 | 171.5 | -161.4 | 0 | 109.7 | A222 T225 A231 K234 | A222-K236 HydrophobicContact CB-CB 4.5Å; A222-K236 PolarHBondContact N-O 3.25Å; T225-K236 HydrophobicContact CG2-CB 4.05Å; T225-K236 HydrophobicContact CG2-CD 4.14Å; A231-K236 PolarHBondContact O-N 3.16Å; K234-K236 HydrophobicContact CB-CG 4.29Å; K234-K236 PolarHBondContact O-N 3.21Å | ||
| 237 | I | 82.1 | Confident | 82.2 | Confident | 30 Ų | 30 | 74 Ų | 74 | 15% | 0.154 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -114.4 | 148.8 | -173.5 | -64 | 161.9 | 0 | 0 | 0 | 108.6 | V194 L219 I220 R235 Q241 | V194-I237 HydrophobicContact CG1-CB 4.43Å; V194-I237 HydrophobicContact CG1-CD1 3.4Å; V194-I237 HydrophobicContact CG1-CG1 4.48Å; V194-I237 HydrophobicContact CG1-CG2 4.11Å; L219-I237 HydrophobicContact CD2-CD1 3.54Å; L219-I237 HydrophobicContact CD2-CG1 4.13Å; I220-I237 WeakPolarHBondContact O-CA 3.32Å; R235-I237 PolarHBondContact O-N 3.2Å; I237-Q241 HydrophobicContact CG2-CB 4.23Å; I237-Q241 HydrophobicContact CG2-CG 4.4Å |
| 238 | H | 80.9 | Confident | 83.1 | Confident | 43 Ų | 43 | 70.2 Ų | 70.2 | 20% | 0.199 | 33% | 0.332 | C | S | . | . | trans | -61.6 | 131.6 | -177.5 | -157.2 | -86 | 0 | 0 | 0 | 111.7 | I220 D240 Q241 | I220-H238 HydrophobicContact CB-CB 4.39Å; I220-H238 HydrophobicContact CG2-CB 3.98Å; I220-H238 PolarHBondContact O-N 3.32Å; I220-H238 VanDerWaalsContact O-N 3.12Å; H238-D240 IonicContact CE1-OD2 2.84Å; H238-D240 PolarHBondContact CE1-OD2 2.72Å; H238-D240 IonicContact ND1-OD2 3.97Å; H238-D240 PolarHBondContact O-N 3.42Å; H238-Q241 WeakPolarHBondContact O-CB 3.45Å; H238-Q241 PolarHBondContact O-N 2.89Å | ||
| 239 | P | 81.9 | Confident | 84 | Confident | 108 Ų | 108 | 64.9 Ų | 64.9 | 70% | 0.701 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -31.6 | -169.1 | 23.1 | -34.4 | 0 | 0 | 0 | 114.8 | Q241 | P239-Q241 PolarHBondContact O-N 3.29Š|
| 240 | D | 80.3 | Confident | 85 | Confident | 49 Ų | 49 | 56.6 Ų | 56.6 | 26% | 0.262 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -15.9 | 173.9 | -59.8 | -90.9 | 0 | 0 | 0 | 113.5 | H238 K242 K297 R320 | H238-D240 IonicContact CE1-OD2 2.84Å; H238-D240 PolarHBondContact CE1-OD2 2.72Å; H238-D240 IonicContact ND1-OD2 3.97Å; H238-D240 PolarHBondContact O-N 3.42Å; D240-K242 PolarHBondContact O-N 2.85Å; D240-K242 VanDerWaalsContact O-N 3.17Å; D240-K297 IonicContact OD1-NZ 3.82Å; D240-K297 PolarHBondContact OD1-NZ 3.03Å; D240-R320 PolarHBondContact O-NH1 3.25Å |
| 241 | Q | 79.6 | Confident | 85.8 | Confident | 17 Ų | 17 | 57.9 Ų | 57.9 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | trans | -77.3 | 102.2 | 174.3 | -178.9 | 165.1 | 31.5 | 0 | 0 | 109.8 | V194 S218 I237 H238 P239 N243 | V194-Q241 HydrophobicContact CG2-CG 4.33Å; V194-Q241 WeakPolarHBondContact CG2-O 3.41Å; S218-Q241 PolarHBondContact O-NE2 3.27Å; I237-Q241 HydrophobicContact CG2-CB 4.23Å; I237-Q241 HydrophobicContact CG2-CG 4.4Å; H238-Q241 WeakPolarHBondContact O-CB 3.45Å; H238-Q241 PolarHBondContact O-N 2.89Å; P239-Q241 PolarHBondContact O-N 3.29Å; Q241-N243 VanDerWaalsContact CG-O 3.26Å; Q241-N243 WeakPolarHBondContact CG-O 3.08Å; Q241-N243 PolarHBondContact NE2-O 2.84Å | ||
| 242 | K | 84.2 | Confident | 86.5 | Confident | 123 Ų | 123 | 62.9 Ų | 62.9 | 54% | 0.535 | 30% | 0.3 | S | S | . | . | trans | -92.3 | -21.1 | 174.5 | -64.1 | -175.2 | 179.5 | -177.1 | 0 | 113.4 | V194 D240 F271 | V194-K242 VanDerWaalsContact CG2-C 3.49Å; V194-K242 WeakPolarHBondContact CG2-O 3.43Å; V194-K242 PolarHBondContact N-O 3.28Å; D240-K242 PolarHBondContact O-N 2.85Å; D240-K242 VanDerWaalsContact O-N 3.17Å; K242-F271 HydrophobicContact CB-CZ 4.45Å; K242-F271 WeakPolarHBondContact O-CE1 3.24Å | ||
| 243 | N | 88.1 | Confident | 87.2 | Confident | 17 Ų | 17 | 66.5 Ų | 66.5 | 9% | 0.091 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 151.4 | -176 | 56.6 | -2 | 0 | 0 | 0 | 114.7 | N191 L192 Q241 F271 E300 R320 | N191-N243 PolarHBondContact OD1-ND2 3.46Å; L192-N243 CarbonylContact O-C 3.59Å; L192-N243 WeakPolarHBondContact O-CA 3.34Å; Q241-N243 VanDerWaalsContact CG-O 3.26Å; Q241-N243 WeakPolarHBondContact CG-O 3.08Å; Q241-N243 PolarHBondContact NE2-O 2.84Å; N243-F271 HydrophobicContact CB-CE1 4.44Å; N243-E300 PolarHBondContact ND2-OE1 3.45Å; N243-R320 WeakPolarHBondContact OD1-CD 3.46Å; N243-R320 PolarHBondContact OD1-NE 2.9Å; N243-R320 VanDerWaalsContact OD1-NE 3.13Å |
| 244 | I | 89.2 | Confident | 88 | Confident | 5 Ų | 5 | 63.7 Ų | 63.7 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 167.7 | -179.8 | 61.3 | 174.6 | 0 | 0 | 0 | 110.2 | N191 L192 V194 F216 L219 | N191-I244 PolarHBondContact N-O 3.26Å; L192-I244 HydrophobicContact CB-CG1 3.96Å; L192-I244 PolarHBondContact N-O 3.48Å; L192-I244 WeakPolarHBondContact O-CG1 3.47Å; L192-I244 PolarHBondContact O-N 3.32Å; V194-I244 HydrophobicContact CG2-CG2 4.19Å; F216-I244 HydrophobicContact CD1-CD1 3.7Å; F216-I244 HydrophobicContact CE1-CD1 3.87Å; F216-I244 HydrophobicContact CG-CD1 4.34Å; L219-I244 HydrophobicContact CD2-CG2 3.67Å; L219-I244 HydrophobicContact CG-CG2 4.21Å |
| 245 | N | 91.9 | Very high | 88.8 | Confident | 44 Ų | 44 | 57.8 Ų | 57.8 | 24% | 0.235 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 158 | 173.5 | -61.2 | -18.1 | 0 | 0 | 0 | 110 | F188 V189 F216 R217 S218 | F188-N245 HydrophobicContact CE2-CB 3.8Å; F188-N245 HydrophobicContact CZ-CB 4.09Å; V189-N245 CarbonylContact O-C 3.55Å; V189-N245 WeakPolarHBondContact O-CA 3.33Å; F216-N245 WeakPolarHBondContact CA-O 3.34Å; R217-N245 PolarHBondContact N-O 2.91Å; R217-N245 PolarHBondContact O-N 3.09Å; S218-N245 PolarHBondContact OG-ND2 2.8Å |
| 246 | A | 93.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 155.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V189 L192 L201 R215 F216 | V189-A246 PolarHBondContact N-O 3.5Å; V189-A246 PolarHBondContact O-N 3.37Å; L192-A246 HydrophobicContact CD1-CB 3.62Å; L201-A246 HydrophobicContact CD1-CB 3.96Å; R215-A246 CarbonylContact O-C 3.49Å; R215-A246 WeakPolarHBondContact O-CA 3.35Å; F216-A246 HydrophobicContact CD1-CB 3.85Å; F216-A246 HydrophobicContact CE1-CB 4.15Å |
| 247 | Y | 94.3 | Very high | 90 | Very high | 73 Ų | 73 | 47.1 Ų | 47.1 | 29% | 0.286 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 133.4 | 158.8 | -62.8 | -93 | 0 | 0 | 0 | 108 | V187 F188 V214 R215 R217 A278 | V187-Y247 WeakPolarHBondContact O-CA 3.4Å; F188-Y247 HydrophobicContact CB-CD1 4.39Å; F188-Y247 HydrophobicContact CB-CE1 4.22Å; F188-Y247 HydrophobicContact CD2-CD1 4.37Å; F188-Y247 AromaticContact CD2-CE1 3.83Å; F188-Y247 HydrophobicContact CD2-CE1 3.83Å; F188-Y247 HydrophobicContact CD2-CE2 4.41Å; F188-Y247 AromaticContact CD2-CZ 3.84Å; V214-Y247 WeakPolarHBondContact CA-O 3.36Å; R215-Y247 PolarHBondContact N-O 3.43Å; R215-Y247 PolarHBondContact O-N 2.82Å; R217-Y247 HydrophobicContact CB-CD2 4.43Å; R217-Y247 HydrophobicContact CB-CE2 4.14Å; R217-Y247 HydrophobicContact CG-CE2 4.23Å; Y247-A278 HydrophobicContact CD1-CB 3.96Å; Y247-A278 HydrophobicContact CE1-CB 3.92Å |
| 248 | V | 94.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 117.5 | 177.7 | -179.5 | 0 | 0 | 0 | 0 | 107.3 | T186 V187 V189 I211 V214 F250 | T186-V248 VanDerWaalsContact CA-O 3.29Å; T186-V248 WeakPolarHBondContact CA-O 3.45Å; V187-V248 PolarHBondContact N-O 2.81Å; V187-V248 PolarHBondContact O-N 3.02Å; V189-V248 HydrophobicContact CG2-CG2 3.96Å; I211-V248 HydrophobicContact CB-CG1 4.49Å; I211-V248 HydrophobicContact CD1-CG1 4.29Å; I211-V248 HydrophobicContact CG1-CG1 4.04Å; I211-V248 HydrophobicContact CG2-CG1 3.65Å; V214-V248 HydrophobicContact CG2-CG1 4.46Å; V214-V248 HydrophobicContact CG2-CG2 4.49Å; V248-F250 HydrophobicContact CB-CE2 4.31Å; V248-F250 HydrophobicContact CG1-CD2 4.28Å; V248-F250 HydrophobicContact CG1-CE2 3.75Å; V248-F250 HydrophobicContact CG1-CZ 3.96Å |
| 249 | V | 94.9 | Very high | 91.2 | Very high | 17 Ų | 17 | 47.7 Ų | 47.7 | 10% | 0.103 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 120.4 | 177.4 | -166.8 | 0 | 0 | 0 | 0 | 108.3 | T186 I211 E212 S213 | T186-V249 HydrophobicContact CG2-CB 4.13Å; T186-V249 HydrophobicContact CG2-CG1 4.13Å; T186-V249 HydrophobicContact CG2-CG2 3.69Å; I211-V249 CarbonylContact C-O 3.57Å; I211-V249 WeakPolarHBondContact CG2-O 3.39Å; E212-V249 HydrophobicContact CB-CB 4.29Å; E212-V249 HydrophobicContact CB-CG1 4.28Å; E212-V249 PolarHBondContact N-O 2.93Å; E212-V249 WeakPolarHBondContact OE2-CG1 3.45Å; S213-V249 PolarHBondContact N-O 3Å; S213-V249 PolarHBondContact O-N 3Å; S213-V249 WeakPolarHBondContact OG-CG2 3.42Å |
| 250 | F | 96.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 156.8 | 170.2 | -67.5 | -90.5 | 0 | 0 | 0 | 110.4 | R185 V187 F205 I211 V248 E252 A255 A256 A259 | R185-F250 PolarHBondContact O-N 2.95Å; V187-F250 HydrophobicContact CB-CE2 4.04Å; V187-F250 HydrophobicContact CG2-CD2 4.02Å; V187-F250 HydrophobicContact CG2-CE2 3.6Å; F205-F250 HydrophobicContact CB-CE1 4.3Å; F205-F250 HydrophobicContact CB-CZ 3.96Å; F205-F250 HydrophobicContact CD1-CZ 4.26Å; F205-F250 HydrophobicContact CG-CZ 4.31Å; I211-F250 HydrophobicContact CD1-CE1 4.4Å; I211-F250 HydrophobicContact CG1-CD1 3.88Å; I211-F250 HydrophobicContact CG1-CE1 3.61Å; I211-F250 HydrophobicContact CG1-CZ 4.26Å; V248-F250 HydrophobicContact CB-CE2 4.31Å; V248-F250 HydrophobicContact CG1-CD2 4.28Å; V248-F250 HydrophobicContact CG1-CE2 3.75Å; V248-F250 HydrophobicContact CG1-CZ 3.96Å; F250-E252 WeakPolarHBondContact CB-O 3.32Å; F250-A255 HydrophobicContact CB-CB 4.06Å; F250-A255 HydrophobicContact CD1-CB 3.61Å; F250-A255 HydrophobicContact CE1-CB 4.23Å; F250-A255 HydrophobicContact CG-CB 3.93Å; F250-A256 HydrophobicContact CD2-CB 4.12Å; F250-A259 HydrophobicContact CE2-CB 4.22Å; F250-A259 HydrophobicContact CZ-CB 3.99Å |
| 251 | K | 94.9 | Very high | 92.2 | Very high | 95 Ų | 95 | 50.9 Ų | 50.9 | 41% | 0.413 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -68.2 | -41.2 | 168.4 | -74 | -171.6 | 168.5 | -175.7 | 0 | 112.1 | R185 Q210 | R185-K251 WeakPolarHBondContact CD-O 3.29Å; R185-K251 PolarHBondContact NH1-O 3.04Å; Q210-K251 HydrophobicContact CB-CD 4.29Å; Q210-K251 HydrophobicContact CG-CD 4.3Å; Q210-K251 PolarHBondContact O-N 3.4Å |
| 252 | E | 95.4 | Very high | 92.7 | Very high | 108 Ų | 108 | 53 Ų | 53 | 51% | 0.505 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -104.2 | 144.3 | -176.5 | -49.8 | -47.4 | 134.5 | 0 | 0 | 111.3 | F250 A255 | F250-E252 WeakPolarHBondContact CB-O 3.32Å; E252-A255 HydrophobicContact CB-CB 4.24Å |
| 253 | E | 93 | Very high | 93 | Very high | 112 Ų | 112 | 48.6 Ų | 48.6 | 52% | 0.523 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -74 | -37.4 | 174.9 | -167 | -164.7 | 150.4 | 0 | 0 | 111.9 | R185 A255 A256 T257 | R185-E253 HydrophobicContact CG-CB 3.94Å; R185-E253 HydrophobicContact CG-CG 4.48Å; E253-A255 PolarHBondContact O-N 3.1Å; E253-A256 WeakPolarHBondContact O-CA 3.36Å; E253-A256 WeakPolarHBondContact O-CB 3.26Å; E253-A256 PolarHBondContact O-N 3.44Å; E253-T257 PolarHBondContact O-N 2.78Å |
| 254 | S | 93.9 | Very high | 93 | Very high | 74 Ų | 74 | 48.1 Ų | 48.1 | 52% | 0.517 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -54.5 | -37.5 | 175.6 | 57.4 | 0 | 0 | 0 | 0 | 112.3 | T257 Q258 | S254-T257 PolarHBondContact O-N 3.01Å; S254-Q258 WeakPolarHBondContact O-CB 3.47Å; S254-Q258 VanDerWaalsContact O-CG 3.27Å; S254-Q258 WeakPolarHBondContact O-CG 3.08Å; S254-Q258 PolarHBondContact O-N 3.32Å |
| 255 | A | 95.1 | Very high | 93 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.2 | -37.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y208 F250 E252 E253 A259 | Y208-A255 WeakPolarHBondContact O-CA 3.43Å; Y208-A255 WeakPolarHBondContact O-CB 3.03Å; F250-A255 HydrophobicContact CB-CB 4.06Å; F250-A255 HydrophobicContact CD1-CB 3.61Å; F250-A255 HydrophobicContact CE1-CB 4.23Å; F250-A255 HydrophobicContact CG-CB 3.93Å; E252-A255 HydrophobicContact CB-CB 4.24Å; E253-A255 PolarHBondContact O-N 3.1Å; A255-A259 VanDerWaalsContact O-CB 3.32Å; A255-A259 WeakPolarHBondContact O-CB 3.45Å; A255-A259 PolarHBondContact O-N 2.82Å |
| 256 | A | 93.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.4 | -45.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V187 F250 E253 A259 L277 | V187-A256 HydrophobicContact CG2-CB 3.61Å; F250-A256 HydrophobicContact CD2-CB 4.12Å; E253-A256 WeakPolarHBondContact O-CA 3.36Å; E253-A256 WeakPolarHBondContact O-CB 3.26Å; E253-A256 PolarHBondContact O-N 3.44Å; A256-A259 PolarHBondContact O-N 2.99Å; A256-L277 HydrophobicContact CB-CD2 4.11Å |
| 257 | T | 93.3 | Very high | 92.6 | Very high | 72 Ų | 72 | 54.1 Ų | 54.1 | 44% | 0.442 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.9 | -39 | 176 | -61.9 | 0 | 0 | 0 | 0 | 112.3 | E253 S254 L260 | E253-T257 PolarHBondContact O-N 2.78Å; S254-T257 PolarHBondContact O-N 3.01Å; T257-L260 WeakPolarHBondContact O-CB 3.24Å; T257-L260 PolarHBondContact O-N 2.95Å |
| 258 | Q | 94.4 | Very high | 92.2 | Very high | 84 Ų | 84 | 52 Ų | 52 | 39% | 0.393 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.9 | -38.1 | 174.1 | -72.8 | 179.8 | 26.2 | 0 | 0 | 112.8 | Y208 S254 L260 K261 | Y208-Q258 HydrophobicContact CD1-CB 3.73Å; Y208-Q258 HydrophobicContact CG-CB 4.24Å; S254-Q258 WeakPolarHBondContact O-CB 3.47Å; S254-Q258 VanDerWaalsContact O-CG 3.27Å; S254-Q258 WeakPolarHBondContact O-CG 3.08Å; S254-Q258 PolarHBondContact O-N 3.32Å; Q258-L260 PolarHBondContact O-N 3.26Å; Q258-K261 VanDerWaalsContact O-CB 3.28Å; Q258-K261 WeakPolarHBondContact O-CB 3.03Å; Q258-K261 WeakPolarHBondContact O-CG 3.38Å; Q258-K261 PolarHBondContact O-N 2.78Å |
| 259 | A | 93.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.5 | -23.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V187 F205 Y208 F250 A255 A256 K261 R262 | V187-A259 HydrophobicContact CG2-CB 4.19Å; F205-A259 HydrophobicContact CD1-CB 3.84Å; F205-A259 HydrophobicContact CE1-CB 3.95Å; Y208-A259 HydrophobicContact CD2-CB 4.25Å; Y208-A259 HydrophobicContact CG-CB 4.43Å; F250-A259 HydrophobicContact CE2-CB 4.22Å; F250-A259 HydrophobicContact CZ-CB 3.99Å; A255-A259 VanDerWaalsContact O-CB 3.32Å; A255-A259 WeakPolarHBondContact O-CB 3.45Å; A255-A259 PolarHBondContact O-N 2.82Å; A256-A259 PolarHBondContact O-N 2.99Å; A259-K261 PolarHBondContact O-N 3.04Å; A259-K261 VanDerWaalsContact O-N 3.14Å; A259-R262 PolarHBondContact O-N 3.17Å |
| 260 | L | 91.3 | Very high | 91.1 | Very high | 57 Ų | 57 | 59.6 Ų | 59.6 | 30% | 0.298 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -55.1 | -27 | 171.8 | -62.1 | 176.7 | 0 | 0 | 0 | 113 | T257 Q258 R262 N263 V275 L277 | T257-L260 WeakPolarHBondContact O-CB 3.24Å; T257-L260 PolarHBondContact O-N 2.95Å; Q258-L260 PolarHBondContact O-N 3.26Å; L260-R262 PolarHBondContact O-N 3.47Å; L260-R262 VanDerWaalsContact O-N 3.1Å; L260-N263 VanDerWaalsContact O-CB 3.29Å; L260-N263 WeakPolarHBondContact O-CB 3.4Å; L260-N263 PolarHBondContact O-N 2.81Å; L260-V275 HydrophobicContact CD2-CG1 4.44Å; L260-L277 HydrophobicContact CD1-CD1 4.14Å; L260-L277 HydrophobicContact CD1-CG 4.19Å; L260-L277 HydrophobicContact CD2-CG 4.3Å |
| 261 | K | 91.2 | Very high | 90.7 | Very high | 168 Ų | 168 | 61.7 Ų | 61.7 | 73% | 0.73 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -62.4 | -14.4 | 176 | -62.7 | 179.1 | 178.7 | -176.8 | 0 | 113.5 | Q258 A259 | Q258-K261 VanDerWaalsContact O-CB 3.28Å; Q258-K261 WeakPolarHBondContact O-CB 3.03Å; Q258-K261 WeakPolarHBondContact O-CG 3.38Å; Q258-K261 PolarHBondContact O-N 2.78Å; A259-K261 PolarHBondContact O-N 3.04Å; A259-K261 VanDerWaalsContact O-N 3.14Å |
| 262 | R | 90.4 | Very high | 90.4 | Very high | 60 Ų | 60 | 59.1 Ų | 59.1 | 23% | 0.226 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -92.9 | 9 | 173 | -69 | -70.3 | 173.4 | 98.5 | -2 | 114.2 | F204 F205 E207 Y208 A259 L260 G264 A265 | F204-R262 HydrophobicContact CE1-CB 3.93Å; F204-R262 HydrophobicContact CE1-CG 3.91Å; F204-R262 HydrophobicContact CZ-CB 4.35Å; F204-R262 HydrophobicContact CZ-CG 4.25Å; F205-R262 HydrophobicContact CE1-CB 4.41Å; E207-R262 IonicContact OE1-CZ 3.48Å; E207-R262 IonicContact OE1-NH2 3.39Å; E207-R262 PolarHBondContact OE1-NH2 3.49Å; E207-R262 IonicContact OE2-CZ 2.78Å; E207-R262 IonicContact OE2-NH1 2.77Å; E207-R262 IonicContact OE2-NH2 3.76Å; E207-R262 PolarHBondContact OE2-NH2 3.38Å; Y208-R262 HydrophobicContact CE2-CG 3.56Å; Y208-R262 VanDerWaalsContact OH-CZ 3.24Å; Y208-R262 PolarHBondContact OH-NE 2.84Å; Y208-R262 PolarHBondContact OH-NH2 3.14Å; Y208-R262 VanDerWaalsContact OH-NH2 3.13Å; A259-R262 PolarHBondContact O-N 3.17Å; L260-R262 PolarHBondContact O-N 3.47Å; L260-R262 VanDerWaalsContact O-N 3.1Å; R262-G264 PolarHBondContact O-N 2.94Å; R262-A265 HydrophobicContact CB-CB 4.35Å; R262-A265 VanDerWaalsContact O-CB 3.27Å; R262-A265 WeakPolarHBondContact O-CB 3.37Å; R262-A265 PolarHBondContact O-N 2.85Å; R262-A265 VanDerWaalsContact O-N 3.08Å |
| 263 | N | 91.3 | Very high | 90.2 | Very high | 32 Ų | 32 | 54 Ų | 54 | 17% | 0.171 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 123.8 | 174.2 | -166.2 | 16.3 | 0 | 0 | 0 | 110.5 | L260 R274 V275 | L260-N263 VanDerWaalsContact O-CB 3.29Å; L260-N263 WeakPolarHBondContact O-CB 3.4Å; L260-N263 PolarHBondContact O-N 2.81Å; N263-R274 WeakPolarHBondContact OD1-CA 3.27Å; N263-V275 HydrophobicContact CB-CB 4.07Å; N263-V275 PolarHBondContact OD1-N 2.78Å |
| 264 | G | 87.2 | Confident | 90.1 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 7% | 0.072 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | 2.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | R262 R272 I273 M314 | R262-G264 PolarHBondContact O-N 2.94Å; G264-R272 PolarHBondContact O-NE 3.29Å; G264-R272 PolarHBondContact O-NH2 2.91Å; G264-I273 VanDerWaalsContact CA-O 3.28Å; G264-I273 WeakPolarHBondContact CA-O 3.44Å; G264-I273 PolarHBondContact N-O 3.24Å; G264-M314 WeakPolarHBondContact CA-O 3.47Å |
| 265 | A | 89.9 | Confident | 90 | Very high | 27 Ų | 27 | 46.5 Ų | 46.5 | 22% | 0.223 | 24% | 0.24 | C | C | . | . | trans | -67.9 | 154.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | F204 R262 R272 I273 | F204-A265 HydrophobicContact CZ-CB 3.85Å; R262-A265 HydrophobicContact CB-CB 4.35Å; R262-A265 VanDerWaalsContact O-CB 3.27Å; R262-A265 WeakPolarHBondContact O-CB 3.37Å; R262-A265 PolarHBondContact O-N 2.85Å; R262-A265 VanDerWaalsContact O-N 3.08Å; A265-R272 CarbonylContact O-C 3.49Å; A265-R272 WeakPolarHBondContact O-CA 3.32Å; A265-I273 HydrophobicContact CB-CG1 4.43Å; A265-I273 WeakPolarHBondContact O-CG1 3.23Å; A265-I273 PolarHBondContact O-N 2.88Å | ||
| 266 | Q | 88.8 | Confident | 89.8 | Confident | 117 Ų | 117 | 47.6 Ų | 47.6 | 55% | 0.547 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 132.4 | 174.9 | -67.6 | -177.7 | 40.2 | 0 | 0 | 110.8 | R272 | Q266-R272 HydrophobicContact CG-CG 3.51Å |
| 267 | I | 87.7 | Confident | 89.8 | Confident | 30 Ų | 30 | 49.8 Ų | 49.8 | 15% | 0.154 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | -22.5 | 173.2 | -77.9 | -164.3 | 0 | 0 | 0 | 112.2 | L192 C196 L201 F204 F271 I273 | L192-I267 HydrophobicContact CD2-CD1 3.94Å; C196-I267 WeakPolarHBondContact SG-CG2 3.44Å; L201-I267 HydrophobicContact CD2-CD1 4.38Å; F204-I267 HydrophobicContact CB-CD1 4.45Å; F204-I267 HydrophobicContact CD1-CD1 3.95Å; F204-I267 HydrophobicContact CD2-CD1 4.05Å; F204-I267 HydrophobicContact CD2-CG1 3.92Å; F204-I267 HydrophobicContact CE1-CD1 4.15Å; F204-I267 HydrophobicContact CE1-CG1 4.38Å; F204-I267 HydrophobicContact CE2-CD1 4.24Å; F204-I267 HydrophobicContact CE2-CG1 3.77Å; F204-I267 HydrophobicContact CG-CD1 3.89Å; F204-I267 HydrophobicContact CG-CG1 4.28Å; F204-I267 HydrophobicContact CZ-CD1 4.28Å; F204-I267 HydrophobicContact CZ-CG1 4.01Å; I267-F271 PolarHBondContact N-O 3.19Å; I267-F271 VanDerWaalsContact N-O 3.16Å; I267-I273 HydrophobicContact CB-CG2 4.14Å; I267-I273 HydrophobicContact CD1-CD1 3.96Å; I267-I273 HydrophobicContact CD1-CG2 3.82Å; I267-I273 HydrophobicContact CG1-CD1 4.28Å; I267-I273 HydrophobicContact CG1-CG2 3.87Å |
| 268 | A | 85.7 | Confident | 89.6 | Confident | 30 Ų | 30 | 47.6 Ų | 47.6 | 25% | 0.248 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 166 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | P193 G270 F271 | P193-A268 HydrophobicContact CG-CB 4.09Å; A268-G270 PolarHBondContact O-N 3.09Å; A268-F271 HydrophobicContact CB-CB 4.35Å; A268-F271 HydrophobicContact CB-CD2 4.15Å; A268-F271 PolarHBondContact O-N 3.34Å |
| 269 | D | 83.1 | Confident | 89 | Confident | 152 Ų | 152 | 46.6 Ų | 46.6 | 81% | 0.813 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 120.1 | -172.6 | -45.3 | -61.1 | 0 | 0 | 0 | 111.4 | F271 | D269-F271 VanDerWaalsContact C-N 3.26Å; D269-F271 WeakPolarHBondContact O-CD2 3.49Å; D269-F271 PolarHBondContact O-N 2.93Å |
| 270 | G | 82.4 | Confident | 88.1 | Confident | 24 Ų | 24 | 51.5 Ų | 51.5 | 25% | 0.247 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | 3.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116 | A268 S301 | A268-G270 PolarHBondContact O-N 3.09Å; G270-S301 WeakPolarHBondContact O-CB 3.49Å; G270-S301 PolarHBondContact O-OG 3.31Å |
| 271 | F | 87.9 | Confident | 87 | Confident | 45 Ų | 45 | 54.1 Ų | 54.1 | 20% | 0.197 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 85.5 | 176 | -70.5 | -89.2 | 0 | 0 | 0 | 111.6 | P193 K242 N243 I267 A268 D269 | P193-F271 HydrophobicContact CB-CD1 3.77Å; P193-F271 HydrophobicContact CB-CD2 3.96Å; P193-F271 HydrophobicContact CB-CE1 3.76Å; P193-F271 HydrophobicContact CB-CE2 3.96Å; P193-F271 HydrophobicContact CB-CG 3.87Å; P193-F271 HydrophobicContact CB-CZ 3.86Å; P193-F271 HydrophobicContact CG-CB 4.43Å; P193-F271 HydrophobicContact CG-CD1 4.36Å; P193-F271 HydrophobicContact CG-CD2 4.43Å; P193-F271 HydrophobicContact CG-CG 4.16Å; K242-F271 HydrophobicContact CB-CZ 4.45Å; K242-F271 WeakPolarHBondContact O-CE1 3.24Å; N243-F271 HydrophobicContact CB-CE1 4.44Å; I267-F271 PolarHBondContact N-O 3.19Å; I267-F271 VanDerWaalsContact N-O 3.16Å; A268-F271 HydrophobicContact CB-CB 4.35Å; A268-F271 HydrophobicContact CB-CD2 4.15Å; A268-F271 PolarHBondContact O-N 3.34Å; D269-F271 VanDerWaalsContact C-N 3.26Å; D269-F271 WeakPolarHBondContact O-CD2 3.49Å; D269-F271 PolarHBondContact O-N 2.93Å |
| 272 | R | 89.5 | Confident | 85.6 | Confident | 41 Ų | 41 | 48.4 Ų | 48.4 | 16% | 0.155 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 123.8 | 169 | -67.7 | -178.2 | 80.2 | -177.4 | -4.8 | 110.7 | N191 G264 A265 Q266 E304 V313 M314 | N191-R272 PolarHBondContact ND2-O 2.86Å; G264-R272 PolarHBondContact O-NE 3.29Å; G264-R272 PolarHBondContact O-NH2 2.91Å; A265-R272 CarbonylContact O-C 3.49Å; A265-R272 WeakPolarHBondContact O-CA 3.32Å; Q266-R272 HydrophobicContact CG-CG 3.51Å; R272-E304 WeakPolarHBondContact CD-OE1 3.37Å; R272-E304 VanDerWaalsContact CD-OE2 3.26Å; R272-E304 WeakPolarHBondContact CD-OE2 3.46Å; R272-E304 IonicContact CZ-OE1 2.73Å; R272-E304 IonicContact NE-OE1 3.32Å; R272-E304 IonicContact NH1-OE1 2.8Å; R272-E304 PolarHBondContact NH1-OE1 2.84Å; R272-V313 PolarHBondContact NH1-O 2.95Å; R272-V313 PolarHBondContact NH2-O 3.43Å; R272-M314 PolarHBondContact NH2-O 3.37Å |
| 273 | I | 91.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 145.9 | -179.7 | 63.1 | 173.2 | 0 | 0 | 0 | 111.4 | V189 G190 L192 F204 F205 G264 A265 I267 V275 | V189-I273 HydrophobicContact CG1-CB 4.17Å; V189-I273 HydrophobicContact CG1-CD1 4.22Å; V189-I273 HydrophobicContact CG1-CG2 4.33Å; G190-I273 WeakPolarHBondContact O-CA 3.37Å; L192-I273 HydrophobicContact CD2-CG2 3.66Å; L192-I273 HydrophobicContact CG-CG2 4.39Å; F204-I273 HydrophobicContact CE1-CD1 3.74Å; F204-I273 HydrophobicContact CZ-CD1 4.16Å; F205-I273 HydrophobicContact CZ-CD1 4.01Å; G264-I273 VanDerWaalsContact CA-O 3.28Å; G264-I273 WeakPolarHBondContact CA-O 3.44Å; G264-I273 PolarHBondContact N-O 3.24Å; A265-I273 HydrophobicContact CB-CG1 4.43Å; A265-I273 WeakPolarHBondContact O-CG1 3.23Å; A265-I273 PolarHBondContact O-N 2.88Å; I267-I273 HydrophobicContact CB-CG2 4.14Å; I267-I273 HydrophobicContact CD1-CD1 3.96Å; I267-I273 HydrophobicContact CD1-CG2 3.82Å; I267-I273 HydrophobicContact CG1-CD1 4.28Å; I267-I273 HydrophobicContact CG1-CG2 3.87Å; I273-V275 HydrophobicContact CB-CG2 4.49Å; I273-V275 HydrophobicContact CD1-CG2 3.51Å; I273-V275 HydrophobicContact CG1-CG2 3.78Å |
| 274 | R | 90.6 | Very high | 83.3 | Confident | 26 Ų | 26 | 50.8 Ų | 50.8 | 10% | 0.098 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 130.6 | 164.2 | 178.1 | 175.3 | 160 | 114.6 | 13 | 108.5 | V189 G190 N263 D276 A315 | V189-R274 CarbonylContact C-O 3.46Å; V189-R274 WeakPolarHBondContact CA-O 3.38Å; G190-R274 PolarHBondContact N-O 3.48Å; G190-R274 PolarHBondContact O-N 3.17Å; N263-R274 WeakPolarHBondContact OD1-CA 3.27Å; R274-D276 IonicContact CZ-OD1 3.58Å; R274-D276 IonicContact CZ-OD2 3.19Å; R274-D276 IonicContact NE-OD1 3.85Å; R274-D276 PolarHBondContact NE-OD1 3.13Å; R274-D276 IonicContact NE-OD2 2.98Å; R274-D276 PolarHBondContact NE-OD2 2.89Å; R274-D276 IonicContact NH2-OD1 3.15Å; R274-D276 PolarHBondContact NH2-OD1 2.77Å; R274-D276 IonicContact NH2-OD2 3.86Å; R274-D276 PolarHBondContact NH2-OD2 3.2Å; R274-A315 HydrophobicContact CB-CB 4.12Å; R274-A315 HydrophobicContact CG-CB 4.37Å |
| 275 | V | 92 | Very high | 83 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 112.3 | -178.1 | -169.4 | 0 | 0 | 0 | 0 | 109.4 | V187 F188 F205 L260 N263 I273 | V187-V275 HydrophobicContact CG1-CG1 3.31Å; F188-V275 WeakPolarHBondContact O-CA 3.36Å; F205-V275 HydrophobicContact CE1-CG1 4.45Å; F205-V275 HydrophobicContact CZ-CG2 4.27Å; L260-V275 HydrophobicContact CD2-CG1 4.44Å; N263-V275 HydrophobicContact CB-CB 4.07Å; N263-V275 PolarHBondContact OD1-N 2.78Å; I273-V275 HydrophobicContact CB-CG2 4.49Å; I273-V275 HydrophobicContact CD1-CG2 3.51Å; I273-V275 HydrophobicContact CG1-CG2 3.78Å |
| 276 | D | 91.3 | Very high | 82.8 | Confident | 24 Ų | 24 | 59.7 Ų | 59.7 | 13% | 0.128 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 160 | 178.3 | -48.3 | -44.2 | 0 | 0 | 0 | 109.8 | V187 F188 R274 | V187-D276 CarbonylContact C-O 3.53Å; V187-D276 WeakPolarHBondContact CA-O 3.24Å; V187-D276 WeakPolarHBondContact CG1-O 3.34Å; F188-D276 HydrophobicContact CB-CB 4.42Å; F188-D276 HydrophobicContact CD1-CB 4.29Å; F188-D276 PolarHBondContact N-O 2.74Å; F188-D276 PolarHBondContact O-N 2.81Å; R274-D276 IonicContact CZ-OD1 3.58Å; R274-D276 IonicContact CZ-OD2 3.19Å; R274-D276 IonicContact NE-OD1 3.85Å; R274-D276 PolarHBondContact NE-OD1 3.13Å; R274-D276 IonicContact NE-OD2 2.98Å; R274-D276 PolarHBondContact NE-OD2 2.89Å; R274-D276 IonicContact NH2-OD1 3.15Å; R274-D276 PolarHBondContact NH2-OD1 2.77Å; R274-D276 IonicContact NH2-OD2 3.86Å; R274-D276 PolarHBondContact NH2-OD2 3.2Å |
| 277 | L | 91.3 | Very high | 82.9 | Confident | 46 Ų | 46 | 58 Ų | 58 | 24% | 0.241 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 151 | 159.7 | -78 | 161.1 | 0 | 0 | 0 | 109.5 | E184 A256 L260 E280 | E184-L277 WeakPolarHBondContact O-CD2 3.26Å; A256-L277 HydrophobicContact CB-CD2 4.11Å; L260-L277 HydrophobicContact CD1-CD1 4.14Å; L260-L277 HydrophobicContact CD1-CG 4.19Å; L260-L277 HydrophobicContact CD2-CG 4.3Å; L277-E280 HydrophobicContact CB-CB 4.03Å |
| 278 | A | 89.3 | Confident | 83 | Confident | 27 Ų | 27 | 56.9 Ų | 56.9 | 22% | 0.223 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -86.4 | -24.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | T186 Y247 | T186-A278 PolarHBondContact O-N 2.95Å; T186-A278 WeakPolarHBondContact OG1-CB 3.14Å; Y247-A278 HydrophobicContact CD1-CB 3.96Å; Y247-A278 HydrophobicContact CE1-CB 3.92Å |
| 279 | S | 82.9 | Confident | 83.5 | Confident | 62 Ų | 62 | 55.4 Ų | 55.4 | 43% | 0.434 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -70 | -42.4 | 174.5 | -165.3 | 0 | 0 | 0 | 0 | 111.3 | T281 | S279-T281 PolarHBondContact O-N 3.33Š|
| 280 | E | 75.4 | Confident | 84 | Confident | 103 Ų | 103 | 50.2 Ų | 50.2 | 48% | 0.481 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -65.2 | 115.6 | 170.6 | -176.2 | 68.7 | -130.3 | 0 | 0 | 110 | L277 S282 S283 | L277-E280 HydrophobicContact CB-CB 4.03Å; E280-S282 PolarHBondContact O-N 3.4Å; E280-S283 WeakPolarHBondContact OE1-CB 2.92Å; E280-S283 PolarHBondContact OE1-OG 3Å |
| 281 | T | 66.8 | Low | 84.6 | Confident | 113 Ų | 113 | 49.1 Ų | 49.1 | 69% | 0.693 | 25% | 0.252 | S | S | * | . | trans | -77.8 | 41.1 | -170.7 | 48.1 | 0 | 0 | 0 | 0 | 114.3 | S279 S283 | S279-T281 PolarHBondContact O-N 3.33Å; T281-S283 PolarHBondContact O-N 2.82Å | ||
| 282 | S | 62.3 | Low | 85 | Confident | 48 Ų | 48 | 47.1 Ų | 47.1 | 34% | 0.336 | 24% | 0.244 | S | C | . | . | trans | 56.1 | 42.9 | -179 | 68.8 | 0 | 0 | 0 | 0 | 113.9 | E280 R284 | E280-S282 PolarHBondContact O-N 3.4Å; S282-R284 PolarHBondContact O-N 2.74Å | ||
| 283 | S | 64.1 | Low | 85.2 | Confident | 64 Ų | 64 | 49.3 Ų | 49.3 | 45% | 0.448 | 26% | 0.259 | S | S | . | . | trans | -41.8 | 104.2 | 171 | -74.7 | 0 | 0 | 0 | 0 | 111.4 | E280 T281 D285 | E280-S283 WeakPolarHBondContact OE1-CB 2.92Å; E280-S283 PolarHBondContact OE1-OG 3Å; T281-S283 PolarHBondContact O-N 2.82Å; S283-D285 PolarHBondContact O-N 2.84Å; S283-D285 VanDerWaalsContact O-N 3.13Å | ||
| 284 | R | 70.3 | Confident | 85.4 | Confident | 77 Ų | 77 | 49.4 Ų | 49.4 | 29% | 0.291 | 26% | 0.259 | S | S | . | . | trans | -63.8 | 117.5 | -170 | -63.6 | -179.5 | -179.6 | -156.5 | -11.2 | 111.2 | S282 Y332 V363 N364 | S282-R284 PolarHBondContact O-N 2.74Å; R284-Y332 VanDerWaalsContact NH1-CZ 3.31Å; R284-Y332 PolarHBondContact NH1-OH 3.46Å; R284-Y332 VanDerWaalsContact NH1-OH 3.11Å; R284-Y332 PolarHBondContact NH2-OH 2.56Å; R284-Y332 VanDerWaalsContact NH2-OH 3.1Å; R284-V363 PolarHBondContact NH1-O 3.28Å; R284-N364 HydrophobicContact CB-CB 4.5Å; R284-N364 VanDerWaalsContact CD-OD1 3.26Å; R284-N364 WeakPolarHBondContact CD-OD1 2.97Å; R284-N364 VanDerWaalsContact CG-OD1 3.31Å; R284-N364 WeakPolarHBondContact CG-OD1 3.28Å | ||
| 285 | D | 79.4 | Confident | 85.5 | Confident | 47 Ų | 47 | 48.9 Ų | 48.9 | 25% | 0.251 | 26% | 0.259 | S | S | . | . | trans | -51.9 | 144.4 | 176.4 | -64.9 | -104.9 | 0 | 0 | 0 | 112.5 | S283 R287 S288 L334 | S283-D285 PolarHBondContact O-N 2.84Å; S283-D285 VanDerWaalsContact O-N 3.13Å; D285-R287 HydrophobicContact CB-CB 4.06Å; D285-R287 PolarHBondContact O-N 3.08Å; D285-R287 VanDerWaalsContact O-N 3.09Å; D285-R287 IonicContact OD1-CZ 3.02Å; D285-R287 IonicContact OD1-NE 2.68Å; D285-R287 IonicContact OD1-NH2 2.81Å; D285-R287 PolarHBondContact OD1-NH2 3.25Å; D285-R287 VanDerWaalsContact OD1-NH2 3.15Å; D285-S288 WeakPolarHBondContact O-CB 3.33Å; D285-S288 PolarHBondContact O-N 3Å; D285-L334 HydrophobicContact CB-CD1 3.64Å; D285-L334 VanDerWaalsContact CG-CD1 3.5Å | ||
| 286 | K | 85.8 | Confident | 85.4 | Confident | 175 Ų | 175 | 55 Ų | 55 | 76% | 0.761 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -16.8 | 164.6 | -58.4 | 177.7 | -175.9 | 172.7 | 0 | 112.7 | ||
| 287 | R | 90.7 | Very high | 85.3 | Confident | 82 Ų | 82 | 61.4 Ų | 61.4 | 31% | 0.309 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -4 | 174.1 | -60.4 | -179.9 | -70.5 | 175.3 | 1.9 | 114.4 | D285 L334 F335 E336 T338 V341 | D285-R287 HydrophobicContact CB-CB 4.06Å; D285-R287 PolarHBondContact O-N 3.08Å; D285-R287 VanDerWaalsContact O-N 3.09Å; D285-R287 IonicContact OD1-CZ 3.02Å; D285-R287 IonicContact OD1-NE 2.68Å; D285-R287 IonicContact OD1-NH2 2.81Å; D285-R287 PolarHBondContact OD1-NH2 3.25Å; D285-R287 VanDerWaalsContact OD1-NH2 3.15Å; R287-L334 HydrophobicContact CB-CD1 3.93Å; R287-F335 WeakPolarHBondContact CB-O 3.45Å; R287-F335 PolarHBondContact O-N 3.15Å; R287-E336 WeakPolarHBondContact CD-O 3.25Å; R287-E336 PolarHBondContact NH1-O 3.36Å; R287-T338 HydrophobicContact CG-CG2 3.86Å; R287-V341 WeakPolarHBondContact O-CG2 3.32Å |
| 288 | S | 91.5 | Very high | 85.2 | Confident | 5 Ų | 5 | 59.5 Ų | 59.5 | 4% | 0.035 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 141.2 | 175.8 | -72.6 | 0 | 0 | 0 | 0 | 112 | D285 V333 S362 | D285-S288 WeakPolarHBondContact O-CB 3.33Å; D285-S288 PolarHBondContact O-N 3Å; S288-V333 CarbonylContact C-O 3.58Å; S288-V333 WeakPolarHBondContact CA-O 3.42Å; S288-S362 VanDerWaalsContact C-CB 3.47Å; S288-S362 WeakPolarHBondContact O-CB 3.28Å; S288-S362 PolarHBondContact O-N 3.02Å; S288-S362 VanDerWaalsContact O-N 3.1Å |
| 289 | V | 94.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 139.9 | 173.1 | 179.9 | 0 | 0 | 0 | 0 | 109.2 | V291 Y332 V333 F335 V341 A344 V359 M360 | V289-V291 HydrophobicContact CG1-CG2 4.33Å; V289-Y332 CarbonylContact O-C 3.55Å; V289-Y332 VanDerWaalsContact O-CA 3.22Å; V289-Y332 WeakPolarHBondContact O-CA 3.47Å; V289-V333 PolarHBondContact N-O 3.11Å; V289-V333 PolarHBondContact O-N 3.1Å; V289-F335 HydrophobicContact CB-CE2 4.07Å; V289-F335 HydrophobicContact CG2-CD2 3.81Å; V289-F335 HydrophobicContact CG2-CE2 3.57Å; V289-V341 HydrophobicContact CG2-CB 4.11Å; V289-V341 HydrophobicContact CG2-CG1 3.87Å; V289-V341 HydrophobicContact CG2-CG2 3.89Å; V289-A344 HydrophobicContact CG2-CB 4.3Å; V289-V359 HydrophobicContact CG1-CG1 3.31Å; V289-M360 WeakPolarHBondContact CG1-O 3.27Å |
| 290 | F | 94.9 | Very high | 85.6 | Confident | 43 Ų | 43 | 57.3 Ų | 57.3 | 19% | 0.189 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 130.4 | 168.4 | 169 | -93.9 | 0 | 0 | 0 | 109.5 | F330 Y332 V359 M360 | F290-F330 HydrophobicContact CD2-CD2 4.46Å; F290-F330 HydrophobicContact CE2-CB 3.76Å; F290-F330 AromaticContact CE2-CD2 3.7Å; F290-F330 HydrophobicContact CE2-CD2 3.7Å; F290-F330 AromaticContact CE2-CG 3.96Å; F290-F330 HydrophobicContact CE2-CG 3.96Å; F290-F330 HydrophobicContact CZ-CB 3.92Å; F290-F330 HydrophobicContact CZ-CG 4.42Å; F290-Y332 HydrophobicContact CB-CD1 4.27Å; F290-Y332 HydrophobicContact CB-CE1 4.02Å; F290-Y332 HydrophobicContact CD2-CD1 4.42Å; F290-Y332 AromaticContact CD2-CE1 3.7Å; F290-Y332 HydrophobicContact CD2-CE1 3.7Å; F290-Y332 AromaticContact CD2-CZ 3.86Å; F290-Y332 HydrophobicContact CG-CE1 4.36Å; F290-V359 WeakPolarHBondContact O-CA 3.42Å; F290-M360 HydrophobicContact CD1-CB 4.13Å; F290-M360 HydrophobicContact CD1-CG 4.39Å; F290-M360 PolarHBondContact N-O 2.9Å; F290-M360 PolarHBondContact O-N 3.17Å |
| 291 | V | 95.3 | Very high | 86.4 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 116.9 | 175.2 | -172.3 | 0 | 0 | 0 | 0 | 108.3 | V289 L294 F307 F330 G331 V333 L357 | V289-V291 HydrophobicContact CG1-CG2 4.33Å; V291-L294 HydrophobicContact CB-CD1 4.39Å; V291-L294 HydrophobicContact CG1-CD1 4.26Å; V291-L294 HydrophobicContact CG1-CD2 3.93Å; V291-L294 HydrophobicContact CG1-CG 4.01Å; V291-F307 HydrophobicContact CG1-CE2 4.16Å; V291-F307 HydrophobicContact CG1-CZ 4.23Å; V291-F307 HydrophobicContact CG2-CE2 3.72Å; V291-F307 HydrophobicContact CG2-CZ 3.79Å; V291-F330 CarbonylContact O-C 3.56Å; V291-F330 WeakPolarHBondContact O-CA 3.31Å; V291-F330 WeakPolarHBondContact O-CB 3.15Å; V291-G331 PolarHBondContact N-O 3.1Å; V291-G331 PolarHBondContact O-N 2.92Å; V291-V333 HydrophobicContact CG2-CG2 3.93Å; V291-L357 HydrophobicContact CG1-CB 4.4Å; V291-L357 HydrophobicContact CG1-CD1 4.16Å; V291-L357 HydrophobicContact CG1-CD2 4.32Å |
| 292 | G | 95.1 | Very high | 87.6 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 171.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L294 G329 R358 | G292-L294 PolarHBondContact O-N 3.14Å; G292-G329 CarbonylContact C-O 3.54Å; G292-R358 PolarHBondContact N-O 3.48Å; G292-R358 PolarHBondContact O-N 3.07Å |
| 293 | N | 95.1 | Very high | 89.1 | Confident | 86 Ų | 86 | 48 Ų | 48 | 46% | 0.46 | 24% | 0.237 | S | C | . | . | S | Bend | trans | 59.2 | 26.3 | -172.5 | -159 | 35 | 0 | 0 | 0 | 114.6 | G329 K356 | N293-G329 PolarHBondContact N-O 2.8Å; N293-K356 WeakPolarHBondContact CB-O 3.29Å; N293-K356 PolarHBondContact ND2-O 3.19Å |
| 294 | L | 94.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | trans | -63.4 | 147.1 | 174.2 | -74.8 | 168.9 | 0 | 0 | 0 | 111 | V291 G292 Y296 V298 V303 G329 L352 L357 | V291-L294 HydrophobicContact CB-CD1 4.39Å; V291-L294 HydrophobicContact CG1-CD1 4.26Å; V291-L294 HydrophobicContact CG1-CD2 3.93Å; V291-L294 HydrophobicContact CG1-CG 4.01Å; G292-L294 PolarHBondContact O-N 3.14Å; L294-Y296 PolarHBondContact O-N 3.49Å; L294-V298 HydrophobicContact CB-CG1 4.18Å; L294-V298 HydrophobicContact CD2-CG1 4.32Å; L294-V303 HydrophobicContact CD1-CG2 4.46Å; L294-V303 HydrophobicContact CD2-CG1 4.5Å; L294-V303 HydrophobicContact CD2-CG2 3.73Å; L294-G329 PolarHBondContact N-O 3.17Å; L294-G329 WeakPolarHBondContact O-CA 3.45Å; L294-L352 HydrophobicContact CD2-CD2 3.93Å; L294-L357 HydrophobicContact CD2-CD2 3.66Å; L294-L357 HydrophobicContact CG-CD2 4.32Å | ||
| 295 | P | 93 | Very high | 91.4 | Very high | 15 Ų | 15 | 49.8 Ų | 49.8 | 10% | 0.097 | 24% | 0.239 | C | C | . | . | trans | -60 | 135.7 | 169.4 | -17 | 27.5 | 0 | 0 | 0 | 111.2 | K297 V298 M353 | P295-K297 PolarHBondContact O-N 2.97Å; P295-K297 VanDerWaalsContact O-N 3.1Å; P295-V298 HydrophobicContact CB-CB 4.09Å; P295-V298 HydrophobicContact CG-CB 4.22Å; P295-V298 HydrophobicContact CG-CG2 4.49Å; P295-V298 WeakPolarHBondContact O-CB 3.47Å; P295-V298 VanDerWaalsContact O-CG1 3.26Å; P295-V298 WeakPolarHBondContact O-CG1 3.4Å; P295-V298 PolarHBondContact O-N 2.91Å; P295-M353 HydrophobicContact CB-SD 4.33Å; P295-M353 HydrophobicContact CG-CB 3.86Å; P295-M353 HydrophobicContact CG-CG 4.27Å; P295-M353 HydrophobicContact CG-SD 4.07Å | ||
| 296 | Y | 90.9 | Very high | 92.1 | Very high | 130 Ų | 130 | 49.4 Ų | 49.4 | 51% | 0.51 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -20.8 | -173 | -57.9 | -53.1 | 0 | 0 | 0 | 114.9 | L294 G327 | L294-Y296 PolarHBondContact O-N 3.49Å; Y296-G327 VanDerWaalsContact CD1-O 3.24Å; Y296-G327 WeakPolarHBondContact CD1-O 3.34Å; Y296-G327 PolarHBondContact O-N 3.3Å; Y296-G327 VanDerWaalsContact O-N 3.09Å |
| 297 | K | 88.1 | Confident | 92.4 | Very high | 159 Ų | 159 | 41.1 Ų | 41.1 | 69% | 0.691 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | 12.5 | 176.1 | -61.8 | -160.9 | 177.4 | -136.1 | 0 | 113.8 | D240 P295 | D240-K297 IonicContact OD1-NZ 3.82Å; D240-K297 PolarHBondContact OD1-NZ 3.03Å; P295-K297 PolarHBondContact O-N 2.97Å; P295-K297 VanDerWaalsContact O-N 3.1Å |
| 298 | V | 90.5 | Very high | 92.5 | Very high | 7 Ų | 7 | 41.2 Ų | 41.2 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | trans | -64.2 | 143 | 179.7 | 78.5 | 0 | 0 | 0 | 0 | 111.2 | L294 P295 A302 V303 I318 L352 M353 | L294-V298 HydrophobicContact CB-CG1 4.18Å; L294-V298 HydrophobicContact CD2-CG1 4.32Å; P295-V298 HydrophobicContact CB-CB 4.09Å; P295-V298 HydrophobicContact CG-CB 4.22Å; P295-V298 HydrophobicContact CG-CG2 4.49Å; P295-V298 WeakPolarHBondContact O-CB 3.47Å; P295-V298 VanDerWaalsContact O-CG1 3.26Å; P295-V298 WeakPolarHBondContact O-CG1 3.4Å; P295-V298 PolarHBondContact O-N 2.91Å; V298-A302 HydrophobicContact CG2-CB 4.12Å; V298-V303 HydrophobicContact CG1-CG2 3.95Å; V298-V303 HydrophobicContact CG2-CG2 3.94Å; V298-I318 HydrophobicContact CG1-CD1 3.65Å; V298-L352 HydrophobicContact CG2-CD2 4.06Å; V298-M353 HydrophobicContact CB-SD 4.45Å; V298-M353 HydrophobicContact CG2-SD 4Å | ||
| 299 | A | 89.8 | Confident | 92.5 | Very high | 34 Ų | 34 | 47.9 Ų | 47.9 | 28% | 0.281 | 24% | 0.242 | S | C | . | . | trans | -88.3 | 146.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | S301 A302 V303 | A299-S301 PolarHBondContact O-N 2.92Å; A299-A302 WeakPolarHBondContact O-CB 3.19Å; A299-A302 PolarHBondContact O-N 2.93Å; A299-V303 PolarHBondContact O-N 3.19Å | ||
| 300 | E | 90.9 | Very high | 92.4 | Very high | 8 Ų | 8 | 48.3 Ų | 48.3 | 4% | 0.037 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -53.7 | -40.6 | 177.2 | -72.1 | 73.4 | -173 | 0 | 0 | 111.7 | N243 A302 V303 E304 V316 I318 R320 | N243-E300 PolarHBondContact ND2-OE1 3.45Å; E300-A302 VanDerWaalsContact C-N 3.32Å; E300-A302 PolarHBondContact O-N 3.07Å; E300-V303 PolarHBondContact O-N 3.44Å; E300-E304 PolarHBondContact O-N 3.13Å; E300-V316 HydrophobicContact CB-CB 4.38Å; E300-V316 HydrophobicContact CB-CG1 4.15Å; E300-V316 HydrophobicContact CG-CG1 4.3Å; E300-I318 HydrophobicContact CB-CD1 4.44Å; E300-I318 HydrophobicContact CG-CB 4.43Å; E300-I318 HydrophobicContact CG-CD1 3.83Å; E300-I318 HydrophobicContact CG-CG1 4.01Å; E300-R320 VanDerWaalsContact CD-NH2 3.29Å; E300-R320 IonicContact OE1-CZ 2.71Å; E300-R320 IonicContact OE1-NE 2.64Å; E300-R320 PolarHBondContact OE1-NE 3.39Å; E300-R320 IonicContact OE1-NH2 2.84Å; E300-R320 PolarHBondContact OE1-NH2 2.9Å; E300-R320 IonicContact OE2-CZ 3.6Å; E300-R320 IonicContact OE2-NH2 2.74Å; E300-R320 PolarHBondContact OE2-NH2 3.34Å |
| 301 | S | 90.8 | Very high | 92.2 | Very high | 35 Ų | 35 | 47.5 Ų | 47.5 | 25% | 0.245 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.9 | -21.4 | 178.1 | -6.2 | 0 | 0 | 0 | 0 | 114.3 | G270 A299 K305 | G270-S301 WeakPolarHBondContact O-CB 3.49Å; G270-S301 PolarHBondContact O-OG 3.31Å; A299-S301 PolarHBondContact O-N 2.92Å; S301-K305 WeakPolarHBondContact O-CG 3.2Å; S301-K305 PolarHBondContact O-N 2.83Å |
| 302 | A | 92.1 | Very high | 92.1 | Very high | 34 Ų | 34 | 49.8 Ų | 49.8 | 28% | 0.281 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -80 | -36.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | V298 A299 E300 E304 H306 | V298-A302 HydrophobicContact CG2-CB 4.12Å; A299-A302 WeakPolarHBondContact O-CB 3.19Å; A299-A302 PolarHBondContact O-N 2.93Å; E300-A302 VanDerWaalsContact C-N 3.32Å; E300-A302 PolarHBondContact O-N 3.07Å; A302-E304 VanDerWaalsContact C-N 3.34Å; A302-H306 PolarHBondContact O-N 2.92Å |
| 303 | V | 93.1 | Very high | 92 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 169.8 | -178.1 | 0 | 0 | 0 | 0 | 110.3 | L294 V298 A299 E300 H306 F307 V316 I318 V333 L352 | L294-V303 HydrophobicContact CD1-CG2 4.46Å; L294-V303 HydrophobicContact CD2-CG1 4.5Å; L294-V303 HydrophobicContact CD2-CG2 3.73Å; V298-V303 HydrophobicContact CG1-CG2 3.95Å; V298-V303 HydrophobicContact CG2-CG2 3.94Å; A299-V303 PolarHBondContact O-N 3.19Å; E300-V303 PolarHBondContact O-N 3.44Å; V303-H306 PolarHBondContact O-N 2.73Å; V303-F307 HydrophobicContact CG1-CD2 3.99Å; V303-F307 HydrophobicContact CG1-CE2 4.01Å; V303-F307 VanDerWaalsContact O-CD2 3.28Å; V303-F307 WeakPolarHBondContact O-CD2 3.41Å; V303-F307 PolarHBondContact O-N 2.98Å; V303-V316 HydrophobicContact CB-CG1 4.27Å; V303-V316 HydrophobicContact CG1-CG1 4.25Å; V303-I318 HydrophobicContact CG2-CD1 4.18Å; V303-V333 HydrophobicContact CG1-CG2 3.99Å; V303-L352 HydrophobicContact CG2-CD2 4.25Å |
| 304 | E | 92 | Very high | 91.8 | Very high | 24 Ų | 24 | 47.5 Ų | 47.5 | 11% | 0.112 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.3 | -54 | 175.8 | -172 | -178.4 | 162.6 | 0 | 0 | 112 | R272 E300 A302 H306 F307 L308 V313 V316 | R272-E304 WeakPolarHBondContact CD-OE1 3.37Å; R272-E304 VanDerWaalsContact CD-OE2 3.26Å; R272-E304 WeakPolarHBondContact CD-OE2 3.46Å; R272-E304 IonicContact CZ-OE1 2.73Å; R272-E304 IonicContact NE-OE1 3.32Å; R272-E304 IonicContact NH1-OE1 2.8Å; R272-E304 PolarHBondContact NH1-OE1 2.84Å; E300-E304 PolarHBondContact O-N 3.13Å; A302-E304 VanDerWaalsContact C-N 3.34Å; E304-H306 VanDerWaalsContact C-N 3.28Å; E304-H306 PolarHBondContact O-N 2.8Å; E304-F307 PolarHBondContact O-N 3.36Å; E304-L308 HydrophobicContact CG-CD2 4.41Å; E304-L308 PolarHBondContact O-N 2.83Å; E304-L308 VanDerWaalsContact O-N 3.14Å; E304-V313 HydrophobicContact CG-CB 4.31Å; E304-V313 HydrophobicContact CG-CG1 4.27Å; E304-V316 HydrophobicContact CB-CG2 4.06Å |
| 305 | K | 92.3 | Very high | 91.5 | Very high | 153 Ų | 153 | 47.6 Ų | 47.6 | 67% | 0.665 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -52.8 | -43.7 | 178.6 | -76.8 | -179.8 | 178 | -167 | 0 | 112.8 | S301 F307 L308 | S301-K305 WeakPolarHBondContact O-CG 3.2Å; S301-K305 PolarHBondContact O-N 2.83Å; K305-F307 PolarHBondContact O-N 2.93Å; K305-L308 HydrophobicContact CG-CD1 4.45Å; K305-L308 PolarHBondContact O-N 3.41Å |
| 306 | H | 92.9 | Very high | 91.5 | Very high | 39 Ų | 39 | 47.1 Ų | 47.1 | 18% | 0.181 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.6 | -17.8 | 178.6 | -165.1 | 93.8 | 0 | 0 | 0 | 114.3 | A302 V303 E304 S350 E351 L352 | A302-H306 PolarHBondContact O-N 2.92Å; V303-H306 PolarHBondContact O-N 2.73Å; E304-H306 VanDerWaalsContact C-N 3.28Å; E304-H306 PolarHBondContact O-N 2.8Å; H306-S350 PolarHBondContact NE2-OG 3.19Å; H306-E351 PolarHBondContact CE1-O 2.79Å; H306-L352 HydrophobicContact CB-CD1 4.2Å |
| 307 | F | 93.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -112.3 | -1 | 179.6 | -74.2 | -66.6 | 0 | 0 | 0 | 114.1 | V291 V303 E304 K305 D309 C310 V313 V333 F335 A344 L347 L357 V359 | V291-F307 HydrophobicContact CG1-CE2 4.16Å; V291-F307 HydrophobicContact CG1-CZ 4.23Å; V291-F307 HydrophobicContact CG2-CE2 3.72Å; V291-F307 HydrophobicContact CG2-CZ 3.79Å; V303-F307 HydrophobicContact CG1-CD2 3.99Å; V303-F307 HydrophobicContact CG1-CE2 4.01Å; V303-F307 VanDerWaalsContact O-CD2 3.28Å; V303-F307 WeakPolarHBondContact O-CD2 3.41Å; V303-F307 PolarHBondContact O-N 2.98Å; E304-F307 PolarHBondContact O-N 3.36Å; K305-F307 PolarHBondContact O-N 2.93Å; F307-D309 PolarHBondContact O-N 2.77Å; F307-C310 WeakPolarHBondContact O-CB 3.48Å; F307-C310 PolarHBondContact O-N 3.25Å; F307-C310 VanDerWaalsContact O-N 3.1Å; F307-V313 HydrophobicContact CB-CG2 4.07Å; F307-V333 HydrophobicContact CD2-CG2 4.04Å; F307-V333 HydrophobicContact CE2-CG2 4.32Å; F307-F335 HydrophobicContact CB-CE1 4.1Å; F307-F335 HydrophobicContact CB-CZ 3.86Å; F307-F335 HydrophobicContact CD1-CZ 4.07Å; F307-F335 HydrophobicContact CG-CZ 4.11Å; F307-A344 HydrophobicContact CD1-CB 4.04Å; F307-A344 HydrophobicContact CE1-CB 4.1Å; F307-L347 HydrophobicContact CD1-CD1 4.43Å; F307-L357 HydrophobicContact CE2-CD1 4.41Å; F307-L357 HydrophobicContact CZ-CD1 4.3Å; F307-V359 HydrophobicContact CE1-CG2 4.27Å; F307-V359 HydrophobicContact CZ-CG2 3.97Å |
| 308 | L | 92 | Very high | 91.7 | Very high | 85 Ų | 85 | 39.1 Ų | 39.1 | 45% | 0.445 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60 | -35.6 | 173.8 | -68.6 | 178.5 | 0 | 0 | 0 | 111.9 | E304 K305 C310 G311 | E304-L308 HydrophobicContact CG-CD2 4.41Å; E304-L308 PolarHBondContact O-N 2.83Å; E304-L308 VanDerWaalsContact O-N 3.14Å; K305-L308 HydrophobicContact CG-CD1 4.45Å; K305-L308 PolarHBondContact O-N 3.41Å; L308-C310 PolarHBondContact O-N 3.29Å; L308-C310 VanDerWaalsContact O-N 3.15Å; L308-G311 WeakPolarHBondContact O-CA 3.29Å; L308-G311 PolarHBondContact O-N 2.92Å |
| 309 | D | 91.1 | Very high | 91.7 | Very high | 145 Ų | 145 | 40.2 Ų | 40.2 | 78% | 0.775 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -17.6 | 178.1 | -53.5 | -17.2 | 0 | 0 | 0 | 112.9 | F307 | F307-D309 PolarHBondContact O-N 2.77Š|
| 310 | C | 91.7 | Very high | 91.7 | Very high | 8 Ų | 8 | 41 Ų | 41 | 5% | 0.054 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -4.4 | 171.9 | -68 | 0 | 0 | 0 | 0 | 113.2 | F307 L308 F335 S340 L343 A344 L347 | F307-C310 WeakPolarHBondContact O-CB 3.48Å; F307-C310 PolarHBondContact O-N 3.25Å; F307-C310 VanDerWaalsContact O-N 3.1Å; L308-C310 PolarHBondContact O-N 3.29Å; L308-C310 VanDerWaalsContact O-N 3.15Å; C310-F335 HydrophobicContact CB-CE1 4.19Å; C310-F335 HydrophobicContact CB-CZ 4.46Å; C310-S340 VanDerWaalsContact O-CA 3.25Å; C310-S340 WeakPolarHBondContact O-CA 3.28Å; C310-S340 WeakPolarHBondContact O-CB 3.17Å; C310-S340 PolarHBondContact O-OG 2.89Å; C310-L343 HydrophobicContact CB-CB 3.95Å; C310-L343 VanDerWaalsContact SG-C 3.57Å; C310-A344 HydrophobicContact CB-CB 4.34Å; C310-A344 VanDerWaalsContact SG-CA 3.57Å; C310-A344 PolarHBondContact SG-N 3.14Å; C310-L347 WeakPolarHBondContact SG-CD1 3.35Å |
| 311 | G | 92.4 | Very high | 91.6 | Very high | 27 Ų | 27 | 42.7 Ų | 42.7 | 28% | 0.278 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 111.4 | -175 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L308 V313 | L308-G311 WeakPolarHBondContact O-CA 3.29Å; L308-G311 PolarHBondContact O-N 2.92Å; G311-V313 PolarHBondContact O-N 3.18Å |
| 312 | S | 92.9 | Very high | 91.2 | Very high | 48 Ų | 48 | 47.9 Ų | 47.9 | 34% | 0.336 | 25% | 0.246 | S | C | . | . | trans | -58.7 | 110.2 | -171.4 | -177.3 | 0 | 0 | 0 | 0 | 113.1 | F335 E336 | S312-F335 WeakPolarHBondContact O-CA 3.41Å; S312-E336 WeakPolarHBondContact CB-OE2 3.38Å; S312-E336 PolarHBondContact O-N 3.1Å; S312-E336 PolarHBondContact OG-OE2 2.84Å | ||
| 313 | V | 92.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 133 | 163.1 | 177.1 | 0 | 0 | 0 | 0 | 107.8 | R272 E304 F307 G311 V316 V333 F335 | R272-V313 PolarHBondContact NH1-O 2.95Å; R272-V313 PolarHBondContact NH2-O 3.43Å; E304-V313 HydrophobicContact CG-CB 4.31Å; E304-V313 HydrophobicContact CG-CG1 4.27Å; F307-V313 HydrophobicContact CB-CG2 4.07Å; G311-V313 PolarHBondContact O-N 3.18Å; V313-V316 HydrophobicContact CG1-CG2 3.87Å; V313-V333 HydrophobicContact CB-CG1 4.48Å; V313-V333 HydrophobicContact CG1-CG1 3.81Å; V313-V333 HydrophobicContact CG2-CG1 3.9Å; V313-F335 HydrophobicContact CG2-CD1 4.02Å; V313-F335 HydrophobicContact CG2-CE1 3.69Å; V313-F335 HydrophobicContact CG2-CZ 4.39Å |
| 314 | M | 90.6 | Very high | 90.2 | Very high | 41 Ų | 41 | 53.5 Ų | 53.5 | 20% | 0.202 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | -53.9 | 166.2 | -59.1 | -161.7 | 85.3 | 0 | 0 | 110.9 | G264 R272 L334 E336 | G264-M314 WeakPolarHBondContact CA-O 3.47Å; R272-M314 PolarHBondContact NH2-O 3.37Å; M314-L334 HydrophobicContact CB-CD2 4.34Å; M314-L334 HydrophobicContact CB-CG 4.3Å; M314-L334 PolarHBondContact N-O 3.26Å; M314-E336 HydrophobicContact CG-CB 3.84Å; M314-E336 HydrophobicContact CG-CG 4.42Å; M314-E336 HydrophobicContact SD-CB 4.32Å; M314-E336 HydrophobicContact SD-CG 4.39Å |
| 315 | A | 89.2 | Confident | 89.6 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 3% | 0.033 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 141.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R274 L334 | R274-A315 HydrophobicContact CB-CB 4.12Å; R274-A315 HydrophobicContact CG-CB 4.37Å; A315-L334 HydrophobicContact CB-CB 4.45Å; A315-L334 PolarHBondContact N-O 2.58Å; A315-L334 PolarHBondContact O-N 3.18Å |
| 316 | V | 91.9 | Very high | 89.3 | Confident | 6 Ų | 6 | 48.6 Ų | 48.6 | 4% | 0.036 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 135 | 174.9 | -179.4 | 0 | 0 | 0 | 0 | 110.1 | E300 V303 E304 V313 I318 V333 | E300-V316 HydrophobicContact CB-CB 4.38Å; E300-V316 HydrophobicContact CB-CG1 4.15Å; E300-V316 HydrophobicContact CG-CG1 4.3Å; V303-V316 HydrophobicContact CB-CG1 4.27Å; V303-V316 HydrophobicContact CG1-CG1 4.25Å; E304-V316 HydrophobicContact CB-CG2 4.06Å; V313-V316 HydrophobicContact CG1-CG2 3.87Å; V316-I318 HydrophobicContact CG1-CG1 4.41Å; V316-V333 HydrophobicContact CG2-CG2 4.45Å |
| 317 | R | 90.9 | Very high | 89.1 | Confident | 104 Ų | 104 | 47 Ų | 47 | 39% | 0.392 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 93.3 | 177.2 | 178.5 | -175.2 | 152.5 | 162.9 | -5.2 | 110.2 | G331 Y332 | R317-G331 CarbonylContact O-C 3.58Å; R317-G331 WeakPolarHBondContact O-CA 2.74Å; R317-Y332 PolarHBondContact N-O 3.47Å; R317-Y332 PolarHBondContact O-N 2.8Å |
| 318 | I | 92.2 | Very high | 89 | Confident | 17 Ų | 17 | 51.9 Ų | 51.9 | 9% | 0.087 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 136 | 167.4 | -62.9 | 174.2 | 0 | 0 | 0 | 108.7 | V298 E300 V303 V316 R320 | V298-I318 HydrophobicContact CG1-CD1 3.65Å; E300-I318 HydrophobicContact CB-CD1 4.44Å; E300-I318 HydrophobicContact CG-CB 4.43Å; E300-I318 HydrophobicContact CG-CD1 3.83Å; E300-I318 HydrophobicContact CG-CG1 4.01Å; V303-I318 HydrophobicContact CG2-CD1 4.18Å; V316-I318 HydrophobicContact CG1-CG1 4.41Å; I318-R320 HydrophobicContact CG2-CG 4.23Å; I318-R320 PolarHBondContact O-N 2.81Å |
| 319 | V | 91 | Very high | 89 | Confident | 29 Ų | 29 | 48.3 Ų | 48.3 | 18% | 0.176 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 108 | 174 | 178.7 | 0 | 0 | 0 | 0 | 108.6 | K328 F330 Y332 | V319-K328 HydrophobicContact CG1-CD 4.3Å; V319-K328 HydrophobicContact CG1-CG 4.47Å; V319-K328 WeakPolarHBondContact O-CB 3.49Å; V319-K328 PolarHBondContact O-N 2.83Å; V319-F330 HydrophobicContact CB-CD2 4.05Å; V319-F330 HydrophobicContact CB-CE2 3.63Å; V319-F330 HydrophobicContact CB-CZ 3.89Å; V319-F330 HydrophobicContact CG1-CE1 4.46Å; V319-F330 HydrophobicContact CG1-CE2 3.95Å; V319-F330 HydrophobicContact CG1-CZ 3.75Å; V319-F330 HydrophobicContact CG2-CD2 4.01Å; V319-F330 HydrophobicContact CG2-CE2 3.55Å; V319-F330 HydrophobicContact CG2-CZ 4.24Å; V319-F330 PolarHBondContact N-O 2.8Å; V319-Y332 HydrophobicContact CG2-CD2 4.26Å; V319-Y332 HydrophobicContact CG2-CE2 3.97Å |
| 320 | R | 89.8 | Confident | 89.2 | Confident | 52 Ų | 52 | 44.4 Ų | 44.4 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 161.9 | 175.9 | -63.5 | 170.7 | -179.9 | -114.3 | 9.3 | 111 | D240 N243 E300 I318 I326 | D240-R320 PolarHBondContact O-NH1 3.25Å; N243-R320 WeakPolarHBondContact OD1-CD 3.46Å; N243-R320 PolarHBondContact OD1-NE 2.9Å; N243-R320 VanDerWaalsContact OD1-NE 3.13Å; E300-R320 VanDerWaalsContact CD-NH2 3.29Å; E300-R320 IonicContact OE1-CZ 2.71Å; E300-R320 IonicContact OE1-NE 2.64Å; E300-R320 PolarHBondContact OE1-NE 3.39Å; E300-R320 IonicContact OE1-NH2 2.84Å; E300-R320 PolarHBondContact OE1-NH2 2.9Å; E300-R320 IonicContact OE2-CZ 3.6Å; E300-R320 IonicContact OE2-NH2 2.74Å; E300-R320 PolarHBondContact OE2-NH2 3.34Å; I318-R320 HydrophobicContact CG2-CG 4.23Å; I318-R320 PolarHBondContact O-N 2.81Å; R320-I326 CarbonylContact C-O 3.53Å; R320-I326 WeakPolarHBondContact CA-O 3.26Å |
| 321 | D | 88.5 | Confident | 89.3 | Confident | 42 Ų | 42 | 44.1 Ų | 44.1 | 23% | 0.225 | 23% | 0.232 | C | C | . | . | trans | -77.5 | 150.5 | 169.3 | -170.8 | 60.6 | 0 | 0 | 0 | 112.7 | V323 T324 G325 I326 K328 | D321-V323 PolarHBondContact OD2-N 2.84Å; D321-T324 WeakPolarHBondContact CB-OG1 3.22Å; D321-T324 PolarHBondContact OD2-N 3.34Å; D321-G325 WeakPolarHBondContact O-CA 3.47Å; D321-G325 PolarHBondContact O-N 2.82Å; D321-I326 PolarHBondContact N-O 2.97Å; D321-K328 VanDerWaalsContact CA-CE 3.44Å; D321-K328 VanDerWaalsContact OD1-CE 3.27Å; D321-K328 WeakPolarHBondContact OD1-CE 3.38Å; D321-K328 IonicContact OD1-NZ 3.74Å; D321-K328 PolarHBondContact OD1-NZ 3.28Å | ||
| 322 | Q | 82.9 | Confident | 89.4 | Confident | 144 Ų | 144 | 44.4 Ų | 44.4 | 67% | 0.673 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -11 | -175.7 | -69 | -171.6 | 69.1 | 0 | 0 | 114.3 | ||
| 323 | V | 81.9 | Confident | 89.4 | Confident | 92 Ų | 92 | 42.1 Ų | 42.1 | 56% | 0.558 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | -55.9 | 175.5 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | I220 D321 | I220-V323 WeakPolarHBondContact CG2-O 3.24Å; D321-V323 PolarHBondContact OD2-N 2.84Å |
| 324 | T | 81.9 | Confident | 89.4 | Confident | 61 Ų | 61 | 42.3 Ų | 42.3 | 37% | 0.374 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -16.7 | -175 | 62.6 | 0 | 0 | 0 | 0 | 114.5 | D321 I326 | D321-T324 WeakPolarHBondContact CB-OG1 3.22Å; D321-T324 PolarHBondContact OD2-N 3.34Å; T324-I326 PolarHBondContact O-N 2.78Å; T324-I326 VanDerWaalsContact O-N 3.07Å |
| 325 | G | 79.9 | Confident | 89.5 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | trans | 71.5 | -6.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | D321 | D321-G325 WeakPolarHBondContact O-CA 3.47Å; D321-G325 PolarHBondContact O-N 2.82Å | ||
| 326 | I | 85.9 | Confident | 89.6 | Confident | 72 Ų | 72 | 44.4 Ų | 44.4 | 37% | 0.369 | 22% | 0.219 | S | C | . | . | trans | -69.3 | 144 | -179.7 | -60 | 172.5 | 0 | 0 | 0 | 109.9 | R320 D321 T324 | R320-I326 CarbonylContact C-O 3.53Å; R320-I326 WeakPolarHBondContact CA-O 3.26Å; D321-I326 PolarHBondContact N-O 2.97Å; T324-I326 PolarHBondContact O-N 2.78Å; T324-I326 VanDerWaalsContact O-N 3.07Å | ||
| 327 | G | 87.9 | Confident | 89.7 | Confident | 7 Ų | 7 | 48.4 Ų | 48.4 | 7% | 0.072 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 137.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y296 G329 | Y296-G327 VanDerWaalsContact CD1-O 3.24Å; Y296-G327 WeakPolarHBondContact CD1-O 3.34Å; Y296-G327 PolarHBondContact O-N 3.3Å; Y296-G327 VanDerWaalsContact O-N 3.09Å; G327-G329 PolarHBondContact O-N 2.89Å; G327-G329 VanDerWaalsContact O-N 3.14Å |
| 328 | K | 92 | Very high | 89.8 | Confident | 102 Ų | 102 | 46.4 Ų | 46.4 | 44% | 0.443 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 14.1 | 176.8 | -57.3 | -159.8 | -178.2 | -133.7 | 0 | 113.8 | V319 D321 F330 | V319-K328 HydrophobicContact CG1-CD 4.3Å; V319-K328 HydrophobicContact CG1-CG 4.47Å; V319-K328 WeakPolarHBondContact O-CB 3.49Å; V319-K328 PolarHBondContact O-N 2.83Å; D321-K328 VanDerWaalsContact CA-CE 3.44Å; D321-K328 VanDerWaalsContact OD1-CE 3.27Å; D321-K328 WeakPolarHBondContact OD1-CE 3.38Å; D321-K328 IonicContact OD1-NZ 3.74Å; D321-K328 PolarHBondContact OD1-NZ 3.28Å; K328-F330 VanDerWaalsContact C-N 3.28Å; K328-F330 HydrophobicContact CB-CD1 3.97Å; K328-F330 HydrophobicContact CB-CE1 3.69Å; K328-F330 WeakPolarHBondContact O-CD1 3.08Å; K328-F330 PolarHBondContact O-N 3Å |
| 329 | G | 92.8 | Very high | 89.8 | Confident | 10 Ų | 10 | 50.4 Ų | 50.4 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 71.8 | 16 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | G292 N293 L294 G327 | G292-G329 CarbonylContact C-O 3.54Å; N293-G329 PolarHBondContact N-O 2.8Å; L294-G329 PolarHBondContact N-O 3.17Å; L294-G329 WeakPolarHBondContact O-CA 3.45Å; G327-G329 PolarHBondContact O-N 2.89Å; G327-G329 VanDerWaalsContact O-N 3.14Å |
| 330 | F | 94.6 | Very high | 90 | Very high | 63 Ų | 63 | 49.4 Ų | 49.4 | 28% | 0.276 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 160.4 | 172.9 | 71.2 | -89.6 | 0 | 0 | 0 | 112.9 | F290 V291 V319 K328 Y332 | F290-F330 HydrophobicContact CD2-CD2 4.46Å; F290-F330 HydrophobicContact CE2-CB 3.76Å; F290-F330 AromaticContact CE2-CD2 3.7Å; F290-F330 HydrophobicContact CE2-CD2 3.7Å; F290-F330 AromaticContact CE2-CG 3.96Å; F290-F330 HydrophobicContact CE2-CG 3.96Å; F290-F330 HydrophobicContact CZ-CB 3.92Å; F290-F330 HydrophobicContact CZ-CG 4.42Å; V291-F330 CarbonylContact O-C 3.56Å; V291-F330 WeakPolarHBondContact O-CA 3.31Å; V291-F330 WeakPolarHBondContact O-CB 3.15Å; V319-F330 HydrophobicContact CB-CD2 4.05Å; V319-F330 HydrophobicContact CB-CE2 3.63Å; V319-F330 HydrophobicContact CB-CZ 3.89Å; V319-F330 HydrophobicContact CG1-CE1 4.46Å; V319-F330 HydrophobicContact CG1-CE2 3.95Å; V319-F330 HydrophobicContact CG1-CZ 3.75Å; V319-F330 HydrophobicContact CG2-CD2 4.01Å; V319-F330 HydrophobicContact CG2-CE2 3.55Å; V319-F330 HydrophobicContact CG2-CZ 4.24Å; V319-F330 PolarHBondContact N-O 2.8Å; K328-F330 VanDerWaalsContact C-N 3.28Å; K328-F330 HydrophobicContact CB-CD1 3.97Å; K328-F330 HydrophobicContact CB-CE1 3.69Å; K328-F330 WeakPolarHBondContact O-CD1 3.08Å; K328-F330 PolarHBondContact O-N 3Å; F330-Y332 HydrophobicContact CD2-CE2 4.33Å; F330-Y332 HydrophobicContact CE2-CE2 4.27Å |
| 331 | G | 93.7 | Very high | 90.2 | Very high | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | -174.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.6 | V291 R317 | V291-G331 PolarHBondContact N-O 3.1Å; V291-G331 PolarHBondContact O-N 2.92Å; R317-G331 CarbonylContact O-C 3.58Å; R317-G331 WeakPolarHBondContact O-CA 2.74Å |
| 332 | Y | 93.6 | Very high | 90.5 | Very high | 33 Ų | 33 | 49.1 Ų | 49.1 | 13% | 0.129 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 137.8 | 175.9 | -59.5 | -85.3 | 0 | 0 | 0 | 109.9 | R284 V289 F290 R317 V319 F330 | R284-Y332 VanDerWaalsContact NH1-CZ 3.31Å; R284-Y332 PolarHBondContact NH1-OH 3.46Å; R284-Y332 VanDerWaalsContact NH1-OH 3.11Å; R284-Y332 PolarHBondContact NH2-OH 2.56Å; R284-Y332 VanDerWaalsContact NH2-OH 3.1Å; V289-Y332 CarbonylContact O-C 3.55Å; V289-Y332 VanDerWaalsContact O-CA 3.22Å; V289-Y332 WeakPolarHBondContact O-CA 3.47Å; F290-Y332 HydrophobicContact CB-CD1 4.27Å; F290-Y332 HydrophobicContact CB-CE1 4.02Å; F290-Y332 HydrophobicContact CD2-CD1 4.42Å; F290-Y332 AromaticContact CD2-CE1 3.7Å; F290-Y332 HydrophobicContact CD2-CE1 3.7Å; F290-Y332 AromaticContact CD2-CZ 3.86Å; F290-Y332 HydrophobicContact CG-CE1 4.36Å; R317-Y332 PolarHBondContact N-O 3.47Å; R317-Y332 PolarHBondContact O-N 2.8Å; V319-Y332 HydrophobicContact CG2-CD2 4.26Å; V319-Y332 HydrophobicContact CG2-CE2 3.97Å; F330-Y332 HydrophobicContact CD2-CE2 4.33Å; F330-Y332 HydrophobicContact CE2-CE2 4.27Å |
| 333 | V | 93.3 | Very high | 91 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 124.6 | 173.4 | -178.6 | 0 | 0 | 0 | 0 | 107.3 | S288 V289 V291 V303 F307 V313 V316 F335 | S288-V333 CarbonylContact C-O 3.58Å; S288-V333 WeakPolarHBondContact CA-O 3.42Å; V289-V333 PolarHBondContact N-O 3.11Å; V289-V333 PolarHBondContact O-N 3.1Å; V291-V333 HydrophobicContact CG2-CG2 3.93Å; V303-V333 HydrophobicContact CG1-CG2 3.99Å; F307-V333 HydrophobicContact CD2-CG2 4.04Å; F307-V333 HydrophobicContact CE2-CG2 4.32Å; V313-V333 HydrophobicContact CB-CG1 4.48Å; V313-V333 HydrophobicContact CG1-CG1 3.81Å; V313-V333 HydrophobicContact CG2-CG1 3.9Å; V316-V333 HydrophobicContact CG2-CG2 4.45Å; V333-F335 HydrophobicContact CB-CE2 4.17Å; V333-F335 HydrophobicContact CG1-CD2 4.19Å; V333-F335 HydrophobicContact CG1-CE1 4.33Å; V333-F335 HydrophobicContact CG1-CE2 3.7Å; V333-F335 HydrophobicContact CG1-CZ 3.8Å |
| 334 | L | 92.1 | Very high | 91.6 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 117.1 | 172.9 | 174.2 | 63.2 | 0 | 0 | 0 | 108.4 | D285 R287 M314 A315 | D285-L334 HydrophobicContact CB-CD1 3.64Å; D285-L334 VanDerWaalsContact CG-CD1 3.5Å; R287-L334 HydrophobicContact CB-CD1 3.93Å; M314-L334 HydrophobicContact CB-CD2 4.34Å; M314-L334 HydrophobicContact CB-CG 4.3Å; M314-L334 PolarHBondContact N-O 3.26Å; A315-L334 HydrophobicContact CB-CB 4.45Å; A315-L334 PolarHBondContact N-O 2.58Å; A315-L334 PolarHBondContact O-N 3.18Å |
| 335 | F | 93.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 157.9 | 171.4 | -66.9 | -86.2 | 0 | 0 | 0 | 111.4 | R287 V289 F307 C310 S312 V313 V333 S340 V341 A344 | R287-F335 WeakPolarHBondContact CB-O 3.45Å; R287-F335 PolarHBondContact O-N 3.15Å; V289-F335 HydrophobicContact CB-CE2 4.07Å; V289-F335 HydrophobicContact CG2-CD2 3.81Å; V289-F335 HydrophobicContact CG2-CE2 3.57Å; F307-F335 HydrophobicContact CB-CE1 4.1Å; F307-F335 HydrophobicContact CB-CZ 3.86Å; F307-F335 HydrophobicContact CD1-CZ 4.07Å; F307-F335 HydrophobicContact CG-CZ 4.11Å; C310-F335 HydrophobicContact CB-CE1 4.19Å; C310-F335 HydrophobicContact CB-CZ 4.46Å; S312-F335 WeakPolarHBondContact O-CA 3.41Å; V313-F335 HydrophobicContact CG2-CD1 4.02Å; V313-F335 HydrophobicContact CG2-CE1 3.69Å; V313-F335 HydrophobicContact CG2-CZ 4.39Å; V333-F335 HydrophobicContact CB-CE2 4.17Å; V333-F335 HydrophobicContact CG1-CD2 4.19Å; V333-F335 HydrophobicContact CG1-CE1 4.33Å; V333-F335 HydrophobicContact CG1-CE2 3.7Å; V333-F335 HydrophobicContact CG1-CZ 3.8Å; F335-S340 VanDerWaalsContact CD1-CB 3.48Å; F335-V341 HydrophobicContact CD2-CG2 4.26Å; F335-A344 HydrophobicContact CE2-CB 3.83Å; F335-A344 HydrophobicContact CZ-CB 3.76Å |
| 336 | E | 91.9 | Very high | 92.9 | Very high | 89 Ų | 89 | 49 Ų | 49 | 42% | 0.416 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -70.1 | -42 | 173.4 | -172 | 165 | -166.7 | 0 | 0 | 111.4 | R287 S312 M314 | R287-E336 WeakPolarHBondContact CD-O 3.25Å; R287-E336 PolarHBondContact NH1-O 3.36Å; S312-E336 WeakPolarHBondContact CB-OE2 3.38Å; S312-E336 PolarHBondContact O-N 3.1Å; S312-E336 PolarHBondContact OG-OE2 2.84Å; M314-E336 HydrophobicContact CG-CB 3.84Å; M314-E336 HydrophobicContact CG-CG 4.42Å; M314-E336 HydrophobicContact SD-CB 4.32Å; M314-E336 HydrophobicContact SD-CG 4.39Å |
| 337 | N | 93.2 | Very high | 93.1 | Very high | 90 Ų | 90 | 48.2 Ų | 48.2 | 48% | 0.481 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -108.5 | 155.9 | -177.1 | -67.9 | -25 | 0 | 0 | 0 | 113 | D339 | N337-D339 VanDerWaalsContact C-N 3.3Š|
| 338 | T | 92.3 | Very high | 93.3 | Very high | 61 Ų | 61 | 50.8 Ų | 50.8 | 37% | 0.374 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -74.5 | -18 | 174.1 | 38.4 | 0 | 0 | 0 | 0 | 113.9 | R287 V341 H342 | R287-T338 HydrophobicContact CG-CG2 3.86Å; T338-V341 WeakPolarHBondContact O-CB 3.24Å; T338-V341 PolarHBondContact O-N 2.64Å; T338-H342 PolarHBondContact O-ND1 3.06Å |
| 339 | D | 93.7 | Very high | 93.4 | Very high | 101 Ų | 101 | 50.8 Ų | 50.8 | 54% | 0.54 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -88.7 | -32.6 | -171.9 | -45.5 | -59.7 | 0 | 0 | 0 | 110.5 | N337 V341 H342 L343 | N337-D339 VanDerWaalsContact C-N 3.3Å; D339-V341 PolarHBondContact O-N 3.47Å; D339-H342 WeakPolarHBondContact O-CA 3.32Å; D339-H342 WeakPolarHBondContact O-CB 3.41Å; D339-H342 PolarHBondContact O-N 3.17Å; D339-L343 PolarHBondContact O-N 3.15Å |
| 340 | S | 94.7 | Very high | 93.4 | Very high | 9 Ų | 9 | 51.6 Ų | 51.6 | 6% | 0.063 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -55.1 | -29.7 | 164 | -60.5 | 0 | 0 | 0 | 0 | 113.4 | C310 F335 L343 A344 | C310-S340 VanDerWaalsContact O-CA 3.25Å; C310-S340 WeakPolarHBondContact O-CA 3.28Å; C310-S340 WeakPolarHBondContact O-CB 3.17Å; C310-S340 PolarHBondContact O-OG 2.89Å; F335-S340 VanDerWaalsContact CD1-CB 3.48Å; S340-L343 PolarHBondContact O-N 3.45Å; S340-A344 VanDerWaalsContact O-CB 3.24Å; S340-A344 WeakPolarHBondContact O-CB 3.49Å; S340-A344 PolarHBondContact O-N 3.16Å |
| 341 | V | 94 | Very high | 93.3 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 170.3 | 172 | 0 | 0 | 0 | 0 | 111.4 | R287 V289 F335 T338 D339 A344 L345 R361 | R287-V341 WeakPolarHBondContact O-CG2 3.32Å; V289-V341 HydrophobicContact CG2-CB 4.11Å; V289-V341 HydrophobicContact CG2-CG1 3.87Å; V289-V341 HydrophobicContact CG2-CG2 3.89Å; F335-V341 HydrophobicContact CD2-CG2 4.26Å; T338-V341 WeakPolarHBondContact O-CB 3.24Å; T338-V341 PolarHBondContact O-N 2.64Å; D339-V341 PolarHBondContact O-N 3.47Å; V341-A344 PolarHBondContact O-N 3.44Å; V341-L345 HydrophobicContact CG1-CD1 4.33Å; V341-L345 VanDerWaalsContact O-CG 3.26Å; V341-L345 WeakPolarHBondContact O-CG 3.45Å; V341-L345 PolarHBondContact O-N 3.1Å; V341-R361 HydrophobicContact CG1-CG 4.21Å |
| 342 | H | 93.6 | Very high | 93.1 | Very high | 87 Ų | 87 | 55 Ų | 55 | 40% | 0.403 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -73.1 | -31.1 | 179.9 | -62.4 | 91.5 | 0 | 0 | 0 | 111.8 | T338 D339 | T338-H342 PolarHBondContact O-ND1 3.06Å; D339-H342 WeakPolarHBondContact O-CA 3.32Å; D339-H342 WeakPolarHBondContact O-CB 3.41Å; D339-H342 PolarHBondContact O-N 3.17Å |
| 343 | L | 94.8 | Very high | 92.9 | Very high | 74 Ų | 74 | 60 Ų | 60 | 39% | 0.387 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.3 | -46.6 | 169.4 | -62.2 | -179.6 | 0 | 0 | 0 | 111.8 | C310 D339 S340 L345 K346 L347 | C310-L343 HydrophobicContact CB-CB 3.95Å; C310-L343 VanDerWaalsContact SG-C 3.57Å; D339-L343 PolarHBondContact O-N 3.15Å; S340-L343 PolarHBondContact O-N 3.45Å; L343-L345 PolarHBondContact O-N 3.18Å; L343-K346 HydrophobicContact CD2-CD 4.4Å; L343-K346 WeakPolarHBondContact O-CA 3Å; L343-K346 VanDerWaalsContact O-CB 3.29Å; L343-K346 WeakPolarHBondContact O-CB 3.32Å; L343-K346 PolarHBondContact O-N 2.78Å; L343-L347 PolarHBondContact O-N 2.92Å |
| 344 | A | 94.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.9 | -32.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V289 F307 C310 F335 S340 V341 K346 L347 V359 | V289-A344 HydrophobicContact CG2-CB 4.3Å; F307-A344 HydrophobicContact CD1-CB 4.04Å; F307-A344 HydrophobicContact CE1-CB 4.1Å; C310-A344 HydrophobicContact CB-CB 4.34Å; C310-A344 VanDerWaalsContact SG-CA 3.57Å; C310-A344 PolarHBondContact SG-N 3.14Å; F335-A344 HydrophobicContact CE2-CB 3.83Å; F335-A344 HydrophobicContact CZ-CB 3.76Å; S340-A344 VanDerWaalsContact O-CB 3.24Å; S340-A344 WeakPolarHBondContact O-CB 3.49Å; S340-A344 PolarHBondContact O-N 3.16Å; V341-A344 PolarHBondContact O-N 3.44Å; A344-K346 VanDerWaalsContact C-N 3.27Å; A344-K346 PolarHBondContact O-N 3.39Å; A344-L347 PolarHBondContact O-N 3.09Å; A344-L347 VanDerWaalsContact O-N 3.14Å; A344-V359 VanDerWaalsContact O-CG1 3.32Å; A344-V359 WeakPolarHBondContact O-CG1 3.46Å |
| 345 | L | 94.2 | Very high | 92.8 | Very high | 57 Ų | 57 | 67 Ų | 67 | 30% | 0.298 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64 | -27.1 | 172.3 | -75.1 | 169.7 | 0 | 0 | 0 | 113.6 | V341 L343 N348 R361 | V341-L345 HydrophobicContact CG1-CD1 4.33Å; V341-L345 VanDerWaalsContact O-CG 3.26Å; V341-L345 WeakPolarHBondContact O-CG 3.45Å; V341-L345 PolarHBondContact O-N 3.1Å; L343-L345 PolarHBondContact O-N 3.18Å; L345-N348 WeakPolarHBondContact O-CB 3.46Å; L345-N348 PolarHBondContact O-N 3.13Å; L345-R361 HydrophobicContact CD1-CB 4.49Å |
| 346 | K | 94.3 | Very high | 92.8 | Very high | 166 Ų | 166 | 72.7 Ų | 72.7 | 72% | 0.722 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -72.5 | -29.3 | 172.5 | -60 | 176.9 | -178 | -179.6 | 0 | 111.9 | L343 A344 N348 | L343-K346 HydrophobicContact CD2-CD 4.4Å; L343-K346 WeakPolarHBondContact O-CA 3Å; L343-K346 VanDerWaalsContact O-CB 3.29Å; L343-K346 WeakPolarHBondContact O-CB 3.32Å; L343-K346 PolarHBondContact O-N 2.78Å; A344-K346 VanDerWaalsContact C-N 3.27Å; A344-K346 PolarHBondContact O-N 3.39Å; K346-N348 PolarHBondContact O-N 2.85Å; K346-N348 VanDerWaalsContact O-N 3.16Å |
| 347 | L | 90.6 | Very high | 93 | Very high | 56 Ų | 56 | 68.4 Ų | 68.4 | 29% | 0.293 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 15.7 | 173 | -61.1 | -169.6 | 0 | 0 | 0 | 113.9 | F307 C310 L343 A344 S350 | F307-L347 HydrophobicContact CD1-CD1 4.43Å; C310-L347 WeakPolarHBondContact SG-CD1 3.35Å; L343-L347 PolarHBondContact O-N 2.92Å; A344-L347 PolarHBondContact O-N 3.09Å; A344-L347 VanDerWaalsContact O-N 3.14Å; L347-S350 VanDerWaalsContact O-CB 3.25Å; L347-S350 WeakPolarHBondContact O-CB 3.37Å; L347-S350 PolarHBondContact O-N 2.92Å; L347-S350 PolarHBondContact O-OG 3.01Å |
| 348 | N | 92.9 | Very high | 93.1 | Very high | 61 Ų | 61 | 70.9 Ų | 70.9 | 33% | 0.326 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 137.3 | 170.7 | -174.1 | 41.1 | 0 | 0 | 0 | 110.9 | L345 K346 S350 R358 V359 | L345-N348 WeakPolarHBondContact O-CB 3.46Å; L345-N348 PolarHBondContact O-N 3.13Å; K346-N348 PolarHBondContact O-N 2.85Å; K346-N348 VanDerWaalsContact O-N 3.16Å; N348-S350 VanDerWaalsContact C-N 3.26Å; N348-S350 PolarHBondContact O-N 3.48Å; N348-R358 WeakPolarHBondContact OD1-CA 3.46Å; N348-V359 HydrophobicContact CB-CB 4.18Å; N348-V359 PolarHBondContact OD1-N 3Å; N348-V359 PolarHBondContact OD1-O 3.46Å |
| 349 | N | 92.6 | Very high | 93.2 | Very high | 101 Ų | 101 | 68.1 Ų | 68.1 | 54% | 0.54 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 5.7 | -170.1 | -44.8 | -63.8 | 0 | 0 | 0 | 116.4 | L357 | N349-L357 WeakPolarHBondContact CA-O 3.44Å; N349-L357 PolarHBondContact N-O 3.5Å |
| 350 | S | 92.9 | Very high | 93.2 | Very high | 27 Ų | 27 | 67.5 Ų | 67.5 | 19% | 0.189 | 34% | 0.337 | C | S | . | . | trans | -59.6 | 147.9 | 170.2 | 58 | 0 | 0 | 0 | 0 | 111.9 | H306 L347 N348 K356 L357 | H306-S350 PolarHBondContact NE2-OG 3.19Å; L347-S350 VanDerWaalsContact O-CB 3.25Å; L347-S350 WeakPolarHBondContact O-CB 3.37Å; L347-S350 PolarHBondContact O-N 2.92Å; L347-S350 PolarHBondContact O-OG 3.01Å; N348-S350 VanDerWaalsContact C-N 3.26Å; N348-S350 PolarHBondContact O-N 3.48Å; S350-K356 CarbonylContact O-C 3.58Å; S350-K356 WeakPolarHBondContact O-CA 3.05Å; S350-L357 WeakPolarHBondContact O-CB 3.49Å; S350-L357 PolarHBondContact O-N 3.24Å | ||
| 351 | E | 92.8 | Very high | 93.1 | Very high | 119 Ų | 119 | 72.7 Ų | 72.7 | 56% | 0.556 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 131.4 | -174.4 | -71.3 | -172 | -165.1 | 0 | 0 | 113 | H306 R355 K356 | H306-E351 PolarHBondContact CE1-O 2.79Å; E351-R355 WeakPolarHBondContact CA-O 3.05Å; E351-K356 HydrophobicContact CG-CG 3.58Å; E351-K356 WeakPolarHBondContact OE1-CE 3.25Å; E351-K356 IonicContact OE1-NZ 3.62Å |
| 352 | L | 90.7 | Very high | 92.8 | Very high | 18 Ų | 18 | 73.5 Ų | 73.5 | 9% | 0.094 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 116.7 | 174.2 | -176.6 | 69.8 | 0 | 0 | 0 | 109.3 | L294 V298 V303 H306 G354 R355 L357 | L294-L352 HydrophobicContact CD2-CD2 3.93Å; V298-L352 HydrophobicContact CG2-CD2 4.06Å; V303-L352 HydrophobicContact CG2-CD2 4.25Å; H306-L352 HydrophobicContact CB-CD1 4.2Å; L352-G354 VanDerWaalsContact C-N 3.31Å; L352-G354 PolarHBondContact O-N 3.28Å; L352-R355 PolarHBondContact N-O 3.33Å; L352-R355 PolarHBondContact O-N 3.38Å; L352-R355 VanDerWaalsContact O-N 3.13Å; L352-L357 HydrophobicContact CB-CD1 3.9Å; L352-L357 HydrophobicContact CB-CD2 3.91Å; L352-L357 HydrophobicContact CB-CG 3.9Å; L352-L357 HydrophobicContact CD2-CD1 4.14Å; L352-L357 HydrophobicContact CD2-CD2 4.2Å |
| 353 | M | 88.1 | Confident | 92.2 | Very high | 137 Ų | 137 | 73 Ų | 73 | 68% | 0.675 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 45.5 | -176.7 | -49.6 | 178.2 | 73.8 | 0 | 0 | 113.2 | P295 V298 R355 | P295-M353 HydrophobicContact CB-SD 4.33Å; P295-M353 HydrophobicContact CG-CB 3.86Å; P295-M353 HydrophobicContact CG-CG 4.27Å; P295-M353 HydrophobicContact CG-SD 4.07Å; V298-M353 HydrophobicContact CB-SD 4.45Å; V298-M353 HydrophobicContact CG2-SD 4Å; M353-R355 VanDerWaalsContact C-N 3.33Å; M353-R355 PolarHBondContact O-N 3.33Å |
| 354 | G | 89.6 | Confident | 91 | Very high | 68 Ų | 68 | 71 Ų | 71 | 70% | 0.701 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 19.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | L352 | L352-G354 VanDerWaalsContact C-N 3.31Å; L352-G354 PolarHBondContact O-N 3.28Å |
| 355 | R | 93.4 | Very high | 89.6 | Confident | 85 Ų | 85 | 77.9 Ų | 77.9 | 32% | 0.321 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 127.9 | 173.9 | -65.9 | -172.6 | 176.1 | -165.5 | -5.5 | 111.5 | E351 L352 M353 L357 | E351-R355 WeakPolarHBondContact CA-O 3.05Å; L352-R355 PolarHBondContact N-O 3.33Å; L352-R355 PolarHBondContact O-N 3.38Å; L352-R355 VanDerWaalsContact O-N 3.13Å; M353-R355 VanDerWaalsContact C-N 3.33Å; M353-R355 PolarHBondContact O-N 3.33Å; R355-L357 PolarHBondContact O-N 2.95Å |
| 356 | K | 94.9 | Very high | 88.1 | Confident | 120 Ų | 120 | 80.7 Ų | 80.7 | 52% | 0.522 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 116 | 173.2 | -68.7 | -179 | 178.9 | -178.2 | 0 | 110.3 | N293 S350 E351 | N293-K356 WeakPolarHBondContact CB-O 3.29Å; N293-K356 PolarHBondContact ND2-O 3.19Å; S350-K356 CarbonylContact O-C 3.58Å; S350-K356 WeakPolarHBondContact O-CA 3.05Å; E351-K356 HydrophobicContact CG-CG 3.58Å; E351-K356 WeakPolarHBondContact OE1-CE 3.25Å; E351-K356 IonicContact OE1-NZ 3.62Å |
| 357 | L | 95.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 39% | 0.388 | C | S | . | . | trans | -73.7 | 138.3 | -179.6 | -63 | -173.5 | 0 | 0 | 0 | 111.4 | V291 L294 F307 N349 S350 L352 R355 V359 | V291-L357 HydrophobicContact CG1-CB 4.4Å; V291-L357 HydrophobicContact CG1-CD1 4.16Å; V291-L357 HydrophobicContact CG1-CD2 4.32Å; L294-L357 HydrophobicContact CD2-CD2 3.66Å; L294-L357 HydrophobicContact CG-CD2 4.32Å; F307-L357 HydrophobicContact CE2-CD1 4.41Å; F307-L357 HydrophobicContact CZ-CD1 4.3Å; N349-L357 WeakPolarHBondContact CA-O 3.44Å; N349-L357 PolarHBondContact N-O 3.5Å; S350-L357 WeakPolarHBondContact O-CB 3.49Å; S350-L357 PolarHBondContact O-N 3.24Å; L352-L357 HydrophobicContact CB-CD1 3.9Å; L352-L357 HydrophobicContact CB-CD2 3.91Å; L352-L357 HydrophobicContact CB-CG 3.9Å; L352-L357 HydrophobicContact CD2-CD1 4.14Å; L352-L357 HydrophobicContact CD2-CD2 4.2Å; R355-L357 PolarHBondContact O-N 2.95Å; L357-V359 HydrophobicContact CB-CG2 4.34Å | ||
| 358 | R | 95 | Very high | 84.7 | Confident | 142 Ų | 142 | 79.8 Ų | 79.8 | 54% | 0.536 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 104.3 | 172.3 | 175.6 | 178.1 | 158.2 | -172.4 | -2.5 | 109.6 | G292 N348 M360 | G292-R358 PolarHBondContact N-O 3.48Å; G292-R358 PolarHBondContact O-N 3.07Å; N348-R358 WeakPolarHBondContact OD1-CA 3.46Å; R358-M360 HydrophobicContact CG-CG 4.34Å; R358-M360 HydrophobicContact CG-SD 4.48Å; R358-M360 PolarHBondContact NE-SD 3.4Å; R358-M360 PolarHBondContact NH2-SD 3.41Å |
| 359 | V | 95.4 | Very high | 83.1 | Confident | 3 Ų | 3 | 84.7 Ų | 84.7 | 2% | 0.018 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 128.2 | -177.5 | -167.3 | 0 | 0 | 0 | 0 | 110.2 | V289 F290 F307 A344 N348 L357 | V289-V359 HydrophobicContact CG1-CG1 3.31Å; F290-V359 WeakPolarHBondContact O-CA 3.42Å; F307-V359 HydrophobicContact CE1-CG2 4.27Å; F307-V359 HydrophobicContact CZ-CG2 3.97Å; A344-V359 VanDerWaalsContact O-CG1 3.32Å; A344-V359 WeakPolarHBondContact O-CG1 3.46Å; N348-V359 HydrophobicContact CB-CB 4.18Å; N348-V359 PolarHBondContact OD1-N 3Å; N348-V359 PolarHBondContact OD1-O 3.46Å; L357-V359 HydrophobicContact CB-CG2 4.34Å |
| 360 | M | 93.6 | Very high | 81.4 | Confident | 87 Ų | 87 | 86 Ų | 86 | 43% | 0.429 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 154.8 | 179.8 | -58.8 | -175.5 | 73.6 | 0 | 0 | 111.1 | V289 F290 R358 S362 | V289-M360 WeakPolarHBondContact CG1-O 3.27Å; F290-M360 HydrophobicContact CD1-CB 4.13Å; F290-M360 HydrophobicContact CD1-CG 4.39Å; F290-M360 PolarHBondContact N-O 2.9Å; F290-M360 PolarHBondContact O-N 3.17Å; R358-M360 HydrophobicContact CG-CG 4.34Å; R358-M360 HydrophobicContact CG-SD 4.48Å; R358-M360 PolarHBondContact NE-SD 3.4Å; R358-M360 PolarHBondContact NH2-SD 3.41Å; M360-S362 PolarHBondContact O-N 3.13Å |
| 361 | R | 91.8 | Very high | 79.7 | Confident | 119 Ų | 119 | 91.3 Ų | 91.3 | 45% | 0.449 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 136.8 | 175.4 | -161 | 172.1 | -169.5 | 158.6 | 6.6 | 109.5 | V341 L345 V363 | V341-R361 HydrophobicContact CG1-CG 4.21Å; L345-R361 HydrophobicContact CD1-CB 4.49Å; R361-V363 PolarHBondContact O-N 2.92Å |
| 362 | S | 87.4 | Confident | 78 | Confident | 16 Ų | 16 | 90.9 Ų | 90.9 | 11% | 0.112 | 44% | 0.436 | C | S | . | . | trans | -69.3 | 105.8 | -177.4 | -171.2 | 0 | 0 | 0 | 0 | 110.8 | S288 M360 | S288-S362 VanDerWaalsContact C-CB 3.47Å; S288-S362 WeakPolarHBondContact O-CB 3.28Å; S288-S362 PolarHBondContact O-N 3.02Å; S288-S362 VanDerWaalsContact O-N 3.1Å; M360-S362 PolarHBondContact O-N 3.13Å | ||
| 363 | V | 81.4 | Confident | 76.4 | Confident | 78 Ų | 78 | 94 Ų | 94 | 47% | 0.473 | 46% | 0.459 | S | S | . | . | trans | -82.6 | 136.4 | 172.8 | -65.7 | 0 | 0 | 0 | 0 | 110.7 | R284 R361 K365 L368 | R284-V363 PolarHBondContact NH1-O 3.28Å; R361-V363 PolarHBondContact O-N 2.92Å; V363-K365 PolarHBondContact O-N 3.44Å; V363-L368 HydrophobicContact CB-CD1 3.82Å; V363-L368 HydrophobicContact CG1-CD1 4.4Å; V363-L368 HydrophobicContact CG2-CD1 3.99Å | ||
| 364 | N | 70.4 | Confident | 74.8 | Confident | 32 Ų | 32 | 93.3 Ų | 93.3 | 17% | 0.171 | 46% | 0.459 | C | S | . | . | trans | -88.6 | 100.1 | 176.7 | -143.7 | 11.2 | 0 | 0 | 0 | 109.3 | R284 E366 K367 L368 | R284-N364 HydrophobicContact CB-CB 4.5Å; R284-N364 VanDerWaalsContact CD-OD1 3.26Å; R284-N364 WeakPolarHBondContact CD-OD1 2.97Å; R284-N364 VanDerWaalsContact CG-OD1 3.31Å; R284-N364 WeakPolarHBondContact CG-OD1 3.28Å; N364-E366 VanDerWaalsContact C-N 3.26Å; N364-E366 PolarHBondContact O-N 2.76Å; N364-K367 PolarHBondContact O-N 2.89Å; N364-L368 PolarHBondContact O-N 3.14Å | ||
| 365 | K | 64 | Low | 73.1 | Confident | 143 Ų | 143 | 95.3 Ų | 95.3 | 62% | 0.622 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -65.2 | -23.8 | -167.9 | -77.6 | -167.1 | 174.3 | -171.9 | 0 | 114 | V363 L368 K369 | V363-K365 PolarHBondContact O-N 3.44Å; K365-L368 PolarHBondContact O-N 3.48Å; K365-K369 PolarHBondContact O-N 2.96Å |
| 366 | E | 62.7 | Low | 71 | Confident | 116 Ų | 116 | 102.4 Ų | 102.4 | 54% | 0.542 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 172.9 | -70.4 | 108.8 | -132.3 | 0 | 0 | 111.9 | N364 L368 K369 Q370 | N364-E366 VanDerWaalsContact C-N 3.26Å; N364-E366 PolarHBondContact O-N 2.76Å; E366-L368 VanDerWaalsContact C-N 3.32Å; E366-L368 PolarHBondContact O-N 3.5Å; E366-K369 WeakPolarHBondContact O-CB 3.35Å; E366-K369 PolarHBondContact O-N 2.88Å; E366-Q370 PolarHBondContact O-N 2.85Å |
| 367 | K | 56 | Low | 69 | Low | 133 Ų | 133 | 104.1 Ų | 104.1 | 58% | 0.578 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.1 | -37.4 | 177.2 | -60.3 | -163.7 | 176.1 | -167 | 0 | 111.8 | N364 K369 Q370 Q371 | N364-K367 PolarHBondContact O-N 2.89Å; K367-K369 PolarHBondContact O-N 3.21Å; K367-Q370 PolarHBondContact O-N 2.88Å; K367-Q371 WeakPolarHBondContact O-CG 3.26Å; K367-Q371 PolarHBondContact O-N 3.22Å |
| 368 | L | 57.9 | Low | 66.8 | Low | 70 Ų | 70 | 112.1 Ų | 112.1 | 37% | 0.366 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.8 | -33 | 172.2 | -77.6 | 169.7 | 0 | 0 | 0 | 113.3 | V363 N364 K365 E366 N372 | V363-L368 HydrophobicContact CB-CD1 3.82Å; V363-L368 HydrophobicContact CG1-CD1 4.4Å; V363-L368 HydrophobicContact CG2-CD1 3.99Å; N364-L368 PolarHBondContact O-N 3.14Å; K365-L368 PolarHBondContact O-N 3.48Å; E366-L368 VanDerWaalsContact C-N 3.32Å; E366-L368 PolarHBondContact O-N 3.5Å; L368-N372 WeakPolarHBondContact O-CB 3.41Å; L368-N372 PolarHBondContact O-N 2.97Å; L368-N372 VanDerWaalsContact O-N 3.15Å; L368-N372 PolarHBondContact O-ND2 3.36Å |
| 369 | K | 58.4 | Low | 64.5 | Low | 165 Ų | 165 | 113.2 Ų | 113.2 | 72% | 0.717 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.7 | -47.5 | 172.1 | -81.7 | -173.6 | 170.8 | -169.6 | 0 | 110.9 | K365 E366 K367 Q371 N372 S373 | K365-K369 PolarHBondContact O-N 2.96Å; E366-K369 WeakPolarHBondContact O-CB 3.35Å; E366-K369 PolarHBondContact O-N 2.88Å; K367-K369 PolarHBondContact O-N 3.21Å; K369-Q371 VanDerWaalsContact C-N 3.33Å; K369-Q371 PolarHBondContact O-N 3.46Å; K369-N372 CarbonylContact O-C 3.55Å; K369-N372 PolarHBondContact O-N 2.89Å; K369-N372 VanDerWaalsContact O-N 3.13Å; K369-S373 WeakPolarHBondContact O-CB 3.4Å; K369-S373 PolarHBondContact O-N 3.06Å; K369-S373 PolarHBondContact O-OG 2.79Å |
| 370 | Q | 57.6 | Low | 62.3 | Low | 129 Ų | 129 | 120.4 Ų | 120.4 | 60% | 0.603 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -59.5 | -40.4 | 178.6 | -70.4 | 167.9 | -24.8 | 0 | 0 | 112.6 | E366 K367 S373 | E366-Q370 PolarHBondContact O-N 2.85Å; K367-Q370 PolarHBondContact O-N 2.88Å; Q370-S373 WeakPolarHBondContact CA-OG 3.24Å; Q370-S373 PolarHBondContact O-OG 3.15Å |
| 371 | Q | 55.9 | Low | 60 | Low | 138 Ų | 138 | 119.3 Ų | 119.3 | 65% | 0.645 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.2 | -36 | 174.9 | -73.4 | 176.4 | -31.2 | 0 | 0 | 112.9 | K367 K369 | K367-Q371 WeakPolarHBondContact O-CG 3.26Å; K367-Q371 PolarHBondContact O-N 3.22Å; K369-Q371 VanDerWaalsContact C-N 3.33Å; K369-Q371 PolarHBondContact O-N 3.46Å |
| 372 | N | 57 | Low | 57.6 | Low | 109 Ų | 109 | 123 Ų | 123 | 58% | 0.583 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -84 | -8.7 | 179 | -77.8 | -71.9 | 0 | 0 | 0 | 114.3 | L368 K369 | L368-N372 WeakPolarHBondContact O-CB 3.41Å; L368-N372 PolarHBondContact O-N 2.97Å; L368-N372 VanDerWaalsContact O-N 3.15Å; L368-N372 PolarHBondContact O-ND2 3.36Å; K369-N372 CarbonylContact O-C 3.55Å; K369-N372 PolarHBondContact O-N 2.89Å; K369-N372 VanDerWaalsContact O-N 3.13Å |
| 373 | S | 58.3 | Low | 55.3 | Low | 83 Ų | 83 | 127.5 Ų | 127.5 | 58% | 0.58 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -1 | 176.8 | 52.7 | 0 | 0 | 0 | 0 | 114.4 | K369 Q370 P375 | K369-S373 WeakPolarHBondContact O-CB 3.4Å; K369-S373 PolarHBondContact O-N 3.06Å; K369-S373 PolarHBondContact O-OG 2.79Å; Q370-S373 WeakPolarHBondContact CA-OG 3.24Å; Q370-S373 PolarHBondContact O-OG 3.15Å; S373-P375 VanDerWaalsContact O-CD 3.24Å; S373-P375 WeakPolarHBondContact O-CD 3.38Å |
| 374 | N | 54.1 | Low | 53.5 | Low | 124 Ų | 124 | 133.7 Ų | 133.7 | 66% | 0.663 | 67% | 0.667 | S | S | * | * | trans | -75 | 111.2 | 170.3 | -77.4 | -12 | 0 | 0 | 0 | 110.1 | R376 | N374-R376 VanDerWaalsContact C-N 3.34Å; N374-R376 PolarHBondContact O-N 3.43Å | ||
| 375 | P | 52.9 | Low | 52 | Low | 109 Ų | 109 | 140.3 Ų | 140.3 | 71% | 0.708 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -81.6 | -11.8 | -172.9 | 33.2 | -35.1 | 0 | 0 | 0 | 113.7 | S373 L377 | S373-P375 VanDerWaalsContact O-CD 3.24Å; S373-P375 WeakPolarHBondContact O-CD 3.38Å; P375-L377 VanDerWaalsContact C-N 3.33Å; P375-L377 PolarHBondContact O-N 3.22Å |
| 376 | R | 49.8 | Very low | 50.7 | Low | 235 Ų | 235 | 136.6 Ų | 136.6 | 89% | 0.887 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -76.7 | -0.3 | -165.4 | -73.5 | -167.8 | 172.5 | -145.9 | -1.1 | 117 | N374 | N374-R376 VanDerWaalsContact C-N 3.34Å; N374-R376 PolarHBondContact O-N 3.43Å |
| 377 | L | 52.5 | Low | 49.4 | Very low | 156 Ų | 156 | 138.5 Ų | 138.5 | 82% | 0.817 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -130 | 29.1 | 178.8 | -71.5 | 174.4 | 0 | 0 | 0 | 114.4 | P375 | P375-L377 VanDerWaalsContact C-N 3.33Å; P375-L377 PolarHBondContact O-N 3.22Å |
| 378 | K | 50.6 | Low | 48.3 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 73% | 0.726 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -111.3 | 42 | 168.3 | -76.3 | -173.9 | 177.4 | 172.2 | 0 | 113 | ||
| 379 | N | 47 | Very low | 47.2 | Very low | 165 Ų | 165 | 145.6 Ų | 145.6 | 88% | 0.882 | 75% | 0.748 | S | S | * | * | trans | -143.6 | 54.1 | 169.4 | -96.4 | -19.7 | 0 | 0 | 0 | 111.4 | ||||
| 380 | I | 49.4 | Very low | 45.9 | Very low | 154 Ų | 154 | 144.4 Ų | 144.4 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | trans | -104 | 111.9 | 153.4 | -62.9 | 177.4 | 0 | 0 | 0 | 105.4 | ||||
| 381 | G | 43.7 | Very low | 44.9 | Very low | 64 Ų | 64 | 143.6 Ų | 143.6 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 134.6 | -176 | 0 | 0 | 0 | 0 | 0 | 111.3 | P383 | G381-P383 WeakPolarHBondContact O-CD 3.34Š|
| 382 | K | 43.5 | Very low | 43.9 | Very low | 198 Ų | 198 | 146.5 Ų | 146.5 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 121.1 | 164.4 | -66.6 | -177.8 | 178.8 | -176.3 | 0 | 107.8 | K384 | K382-K384 PolarHBondContact O-N 3.49Š|
| 383 | P | 37.9 | Very low | 42.8 | Very low | 110 Ų | 110 | 145.7 Ų | 145.7 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 125.9 | 167.3 | 26.1 | -31.9 | 0 | 0 | 0 | 108.4 | G381 Q385 | G381-P383 WeakPolarHBondContact O-CD 3.34Å; P383-Q385 PolarHBondContact O-N 3.24Å |
| 384 | K | 43.5 | Very low | 41.6 | Very low | 207 Ų | 207 | 146.5 Ų | 146.5 | 90% | 0.9 | 79% | 0.794 | S | S | * | * | trans | -76.6 | 71.3 | 176.1 | -72.1 | -176.3 | 178.2 | 178 | 0 | 110.3 | K382 G386 | K382-K384 PolarHBondContact O-N 3.49Å; K384-G386 PolarHBondContact O-N 3.18Å | ||
| 385 | Q | 39.2 | Very low | 40.6 | Very low | 171 Ų | 171 | 150.1 Ų | 150.1 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | trans | -75.4 | 100.5 | 163.1 | -75.9 | -175 | -19.9 | 0 | 0 | 108.6 | P383 L387 | P383-Q385 PolarHBondContact O-N 3.24Å; Q385-L387 PolarHBondContact O-N 3.19Å | ||
| 386 | G | 36.9 | Very low | 39.7 | Very low | 66 Ų | 66 | 148.4 Ų | 148.4 | 68% | 0.68 | 81% | 0.809 | S | S | * | * | trans | -75.7 | 95.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | K384 N388 | K384-G386 PolarHBondContact O-N 3.18Å; G386-N388 PolarHBondContact O-N 2.91Å | ||
| 387 | L | 36.1 | Very low | 38.9 | Very low | 155 Ų | 155 | 146 Ų | 146 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | -80.8 | 94.5 | 168.3 | -90.9 | 160.2 | 0 | 0 | 0 | 109.3 | Q385 F389 | Q385-L387 PolarHBondContact O-N 3.19Å; L387-F389 PolarHBondContact O-N 3.26Å | ||
| 388 | N | 32.7 | Very low | 38.3 | Very low | 151 Ų | 151 | 143.8 Ų | 143.8 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | trans | -71.2 | 124.1 | 174.4 | -66 | -24.5 | 0 | 0 | 0 | 110 | G386 | G386-N388 PolarHBondContact O-N 2.91Š| ||
| 389 | F | 34 | Very low | 37.9 | Very low | 201 Ų | 201 | 145.5 Ų | 145.5 | 88% | 0.882 | 81% | 0.813 | S | S | * | * | trans | -91.7 | 115.9 | 162.4 | -93.1 | -93.6 | 0 | 0 | 0 | 109.5 | L387 | L387-F389 PolarHBondContact O-N 3.26Š| ||
| 390 | T | 31.3 | Very low | 37.4 | Very low | 141 Ų | 141 | 143 Ų | 143 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | trans | -155.7 | 160.6 | 147.3 | 16.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 391 | S | 37.3 | Very low | 36.7 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | -87 | 174.1 | -170.2 | 51 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 392 | K | 34.9 | Very low | 36.2 | Very low | 199 Ų | 199 | 149.6 Ų | 149.6 | 87% | 0.865 | 82% | 0.82 | S | S | * | * | trans | -34.1 | 146.8 | 158.9 | -53 | 175.5 | 176.4 | -178.4 | 0 | 111.3 | ||||
| 393 | A | 32.6 | Very low | 35.7 | Very low | 92 Ų | 92 | 148.2 Ų | 148.2 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | cis | -173.5 | 172.6 | 49.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 394 | A | 34.8 | Very low | 35.5 | Very low | 100 Ų | 100 | 145.8 Ų | 145.8 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | 67.7 | 163.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 395 | E | 32.5 | Very low | 35.3 | Very low | 200 Ų | 200 | 143.2 Ų | 143.2 | 94% | 0.935 | 81% | 0.807 | S | S | * | * | trans | -99 | 179 | -173.7 | -59.1 | 148.4 | 109.1 | 0 | 0 | 111.8 | ||||
| 396 | G | 33.3 | Very low | 35.3 | Very low | 73 Ų | 73 | 142.8 Ų | 142.8 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | 117.9 | 69.8 | 147.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 397 | H | 33.5 | Very low | 35.1 | Very low | 186 Ų | 186 | 144.6 Ų | 144.6 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | 70 | 146.6 | 127.2 | -139.8 | 74.8 | 0 | 0 | 0 | 123.2 | |||||
| 398 | S | 38.8 | Very low | 35.1 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | 77.5 | 171.6 | 160.6 | 82.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 399 | K | 42.3 | Very low | 35.5 | Very low | 202 Ų | 202 | 144.3 Ų | 144.3 | 88% | 0.878 | 81% | 0.814 | S | S | * | * | trans | -135.4 | 139.9 | -162.3 | -50.9 | 164.6 | -177.4 | 169.3 | 0 | 110.8 | ||||
| 400 | S | 36.9 | Very low | 35.5 | Very low | 114 Ų | 114 | 144.8 Ų | 144.8 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | -171.7 | 139.3 | 149.6 | 36.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 401 | L | 34.5 | Very low | 35.6 | Very low | 162 Ų | 162 | 144.8 Ų | 144.8 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | 46.5 | 96.6 | 136.5 | -54.8 | 174.2 | 0 | 0 | 0 | 121.9 | ||||
| 402 | F | 34.4 | Very low | 35.5 | Very low | 193 Ų | 193 | 149.8 Ų | 149.8 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | 34.6 | 127.5 | 106.6 | -143.7 | -88.4 | 0 | 0 | 0 | 120.9 | |||||
| 403 | I | 31.5 | Very low | 35.5 | Very low | 169 Ų | 169 | 149.9 Ų | 149.9 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | trans | -164.6 | 153.8 | 139.4 | -99.5 | 151.7 | 0 | 0 | 0 | 108.9 | ||||
| 404 | G | 34.9 | Very low | 35.5 | Very low | 60 Ų | 60 | 155.5 Ų | 155.5 | 62% | 0.619 | 83% | 0.832 | S | S | * | * | trans | -93.4 | -150.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 405 | E | 38.4 | Very low | 35.4 | Very low | 152 Ų | 152 | 154.3 Ų | 154.3 | 71% | 0.71 | 83% | 0.828 | S | S | * | * | cis | -159.7 | 158 | 0.1 | -130.3 | -161.3 | 176.5 | 0 | 0 | 112.9 | ||||
| 406 | K | 39.9 | Very low | 35.6 | Very low | 163 Ų | 163 | 154 Ų | 154 | 71% | 0.709 | 83% | 0.827 | S | S | * | * | trans | 37.2 | 127.9 | 154 | -66.6 | 167.3 | -172 | 141.3 | 0 | 121.7 | ||||
| 407 | A | 32.7 | Very low | 35.8 | Very low | 103 Ų | 103 | 160.2 Ų | 160.2 | 85% | 0.851 | 83% | 0.834 | S | S | * | * | trans | -137.7 | 136.6 | 147.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 408 | V | 36.2 | Very low | 35.8 | Very low | 137 Ų | 137 | 160.9 Ų | 160.9 | 83% | 0.83 | 83% | 0.834 | S | S | * | * | trans | -131.7 | 142.7 | -174.5 | 176.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 409 | L | 41.4 | Very low | 35.5 | Very low | 164 Ų | 164 | 161.4 Ų | 161.4 | 86% | 0.859 | 84% | 0.837 | S | S | * | * | trans | -65.9 | 139.8 | -179.4 | -68 | 154.7 | 0 | 0 | 0 | 113.7 | ||||
| 410 | K | 33.1 | Very low | 35 | Very low | 210 Ų | 210 | 155.4 Ų | 155.4 | 91% | 0.913 | 83% | 0.833 | S | S | * | * | trans | -141.5 | 158.6 | 150.1 | -77.2 | -159.9 | 175.9 | 178.3 | 0 | 112.3 | ||||
| 411 | T | 34.6 | Very low | 34.8 | Very low | 142 Ų | 142 | 155.4 Ų | 155.4 | 87% | 0.871 | 83% | 0.832 | S | S | * | * | trans | -94.1 | 169.5 | -166.6 | 50.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 412 | K | 34.2 | Very low | 35.3 | Very low | 216 Ų | 216 | 153.6 Ų | 153.6 | 94% | 0.939 | 83% | 0.83 | S | S | * | * | trans | -122.4 | 146.6 | 173.5 | -81.7 | -172 | 173.5 | -179.2 | 0 | 112.3 | ||||
| 413 | K | 34.8 | Very low | 35.7 | Very low | 201 Ų | 201 | 153.7 Ų | 153.7 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | trans | -148.1 | 133.7 | -179.9 | -162.1 | 176.2 | -174.5 | 179.1 | 0 | 110.8 | ||||
| 414 | K | 33.2 | Very low | 36.1 | Very low | 210 Ų | 210 | 154.5 Ų | 154.5 | 91% | 0.913 | 83% | 0.827 | S | S | * | * | trans | 30.1 | 137.6 | 164.9 | -76.9 | -170.8 | 172.9 | -176.3 | 0 | 122.3 | ||||
| 415 | G | 32.8 | Very low | 36.6 | Very low | 74 Ų | 74 | 160.2 Ų | 160.2 | 76% | 0.763 | 84% | 0.838 | S | S | * | * | trans | 110.6 | 147.8 | 154.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 416 | Q | 36 | Very low | 36.6 | Very low | 194 Ų | 194 | 164.9 Ų | 164.9 | 91% | 0.907 | 85% | 0.849 | S | S | * | * | cis | -147.4 | 165 | -14.6 | -86.7 | -171.9 | -9.8 | 0 | 0 | 108.8 | ||||
| 417 | K | 38.1 | Very low | 37 | Very low | 204 Ų | 204 | 166.3 Ų | 166.3 | 89% | 0.887 | 86% | 0.855 | S | S | * | * | trans | -91.5 | 138.8 | 171.2 | -72.1 | -178.2 | 176.7 | 179.9 | 0 | 111.4 | ||||
| 418 | K | 33.5 | Very low | 37.8 | Very low | 199 Ų | 199 | 170 Ų | 170 | 87% | 0.865 | 86% | 0.855 | S | S | * | * | trans | -147.1 | 170 | 147.9 | -80.5 | -155.5 | 177.6 | -179.6 | 0 | 111.8 | ||||
| 419 | S | 31.6 | Very low | 38.4 | Very low | 120 Ų | 120 | 176.3 Ų | 176.3 | 84% | 0.839 | 87% | 0.871 | S | S | * | * | trans | -44.3 | 162.3 | 178.2 | 44.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 420 | G | 31.6 | Very low | 38.3 | Very low | 77 Ų | 77 | 177 Ų | 177 | 79% | 0.794 | 87% | 0.872 | S | S | * | * | cis | 178.4 | -171.9 | 4.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 421 | C | 33.3 | Very low | 38.6 | Very low | 113 Ų | 113 | 175.2 Ų | 175.2 | 76% | 0.764 | 87% | 0.87 | S | S | * | * | trans | -105.8 | 151.7 | -177.3 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 422 | P | 45.7 | Very low | 38.8 | Very low | 125 Ų | 125 | 177.1 Ų | 177.1 | 81% | 0.812 | 87% | 0.87 | S | S | * | * | -137.8 | 169.9 | 123.4 | 38 | -27.3 | 0 | 0 | 0 | 114.9 | |||||
| 423 | K | 42.7 | Very low | 39.1 | Very low | 194 Ų | 194 | 174.8 Ų | 174.8 | 84% | 0.843 | 87% | 0.865 | S | S | * | * | trans | -98.2 | 148.1 | -178.9 | -54.1 | 169 | -177.9 | 172.5 | 0 | 112.2 | ||||
| 424 | K | 40.1 | Very low | 39.3 | Very low | 187 Ų | 187 | 173.1 Ų | 173.1 | 81% | 0.813 | 87% | 0.865 | S | S | * | * | trans | -173.4 | 119.5 | 138.2 | -101.6 | 163 | -179.6 | 180 | 0 | 107.9 | ||||
| 425 | Q | 43.5 | Very low | 39.7 | Very low | 179 Ų | 179 | 170.7 Ų | 170.7 | 84% | 0.836 | 86% | 0.862 | S | S | * | * | 60 | 111.6 | 83.1 | -72.3 | -173.9 | -20.7 | 0 | 0 | 115.2 | |||||
| 426 | R | 39.2 | Very low | 40.2 | Very low | 250 Ų | 250 | 177.6 Ų | 177.6 | 94% | 0.943 | 87% | 0.869 | S | S | * | * | -158.4 | 154.5 | 118.5 | -121.7 | 174.3 | 172.6 | 167.4 | -4.3 | 112.1 | |||||
| 427 | K | 48.3 | Very low | 40.5 | Very low | 194 Ų | 194 | 176.3 Ų | 176.3 | 84% | 0.843 | 87% | 0.866 | S | S | * | * | trans | -90.7 | 172.5 | 167 | -78.3 | -174.4 | 174.6 | -175.9 | 0 | 109.7 | ||||
| 428 | Q | 49.5 | Very low | 40.7 | Very low | 181 Ų | 181 | 174 Ų | 174 | 85% | 0.846 | 86% | 0.864 | S | S | * | * | trans | 118.1 | 138.8 | 160.2 | -66.4 | 176.9 | 8.6 | 0 | 0 | 112 | ||||
| 429 | K | 49.9 | Very low | 41.4 | Very low | 269 Ų | 269 | 171.7 Ų | 171.7 | 100% | 1.17 | 86% | 0.864 | S | S | * | * | cis | -134.8 | 0 | 0.7 | -150 | 177 | -176.7 | -177.3 | 0 | 110.8 |
Retrieved 429 of 429 residues in 860.4 ms
(Link to these results)