| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.4 | Very low | 41.1 | Very low | 242 Ų | 242 | 169.4 Ų | 169.4 | 100% | 1.192 | 83% | 0.827 | S | S | * | * | 0 | -176 | 0 | -65.3 | 180 | 80 | 0 | 0 | 109.1 | |||||
| 2 | Q | 38.5 | Very low | 40.6 | Very low | 188 Ų | 188 | 162.2 Ų | 162.2 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | trans | -56.3 | 163.5 | 177.8 | -67.3 | 158 | 1.7 | 0 | 0 | 113.9 | ||||
| 3 | S | 37.4 | Very low | 40.7 | Very low | 104 Ų | 104 | 169 Ų | 169 | 73% | 0.727 | 84% | 0.838 | S | S | * | * | cis | -166.3 | 145.2 | -20.8 | -174.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 4 | Q | 40.4 | Very low | 41.7 | Very low | 137 Ų | 137 | 165.4 Ų | 165.4 | 64% | 0.64 | 83% | 0.833 | S | S | * | * | trans | 23 | 136.9 | 154.4 | -63.7 | -165.9 | 21.2 | 0 | 0 | 126.6 | ||||
| 5 | R | 39.3 | Very low | 41.3 | Very low | 207 Ų | 207 | 161.6 Ų | 161.6 | 78% | 0.781 | 83% | 0.828 | S | S | * | * | trans | 67.4 | 125.1 | 136.6 | -67.8 | 171.7 | 179.8 | 173.4 | -1.8 | 119.7 | ||||
| 6 | I | 43.4 | Very low | 41.2 | Very low | 158 Ų | 158 | 161.9 Ų | 161.9 | 81% | 0.81 | 83% | 0.831 | S | S | * | * | 62.9 | 112.6 | 56.1 | -55.7 | 171.4 | 0 | 0 | 0 | 111.8 | |||||
| 7 | P | 48.3 | Very low | 40.7 | Very low | 130 Ų | 130 | 163.2 Ų | 163.2 | 84% | 0.844 | 83% | 0.832 | S | S | * | * | -145.3 | -172.1 | 71 | 39 | -18.1 | 0 | 0 | 0 | 114.5 | |||||
| 8 | G | 38.8 | Very low | 40.4 | Very low | 77 Ų | 77 | 158.3 Ų | 158.3 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | cis | -170.5 | -176.4 | 7.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 9 | R | 40.4 | Very low | 40.4 | Very low | 227 Ų | 227 | 156.8 Ų | 156.8 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | -96.5 | 173.4 | -177.3 | -79.2 | 170.3 | 165.3 | 176.2 | -3.1 | 110.9 | ||||
| 10 | K | 43.4 | Very low | 40.8 | Very low | 154 Ų | 154 | 154.8 Ų | 154.8 | 67% | 0.67 | 81% | 0.811 | S | S | * | * | cis | -167.6 | 154.5 | 8.5 | -129.1 | 167.2 | -176.2 | -177.3 | 0 | 111.2 | ||||
| 11 | R | 42.8 | Very low | 40.7 | Very low | 239 Ų | 239 | 156.5 Ų | 156.5 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | trans | 30.7 | 134.1 | 146.1 | -68.2 | 178.3 | 179.7 | -174.8 | -1.9 | 122.9 | ||||
| 12 | G | 34.8 | Very low | 40.8 | Very low | 83 Ų | 83 | 154.5 Ų | 154.5 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | -161.4 | 158.1 | 154.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 13 | R | 41.7 | Very low | 41 | Very low | 251 Ų | 251 | 155.1 Ų | 155.1 | 95% | 0.947 | 81% | 0.807 | S | S | * | * | trans | -124.3 | 155.2 | 176.5 | -131.1 | -153.4 | 171.8 | -178.2 | -2.3 | 110.2 | ||||
| 14 | P | 54.9 | Low | 40.9 | Very low | 118 Ų | 118 | 154.6 Ų | 154.6 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | trans | -109.6 | 170.2 | -163.5 | 41.3 | -35.3 | 0 | 0 | 0 | 115.9 | ||||
| 15 | S | 35.8 | Very low | 40.6 | Very low | 109 Ų | 109 | 154.4 Ų | 154.4 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | trans | -160.8 | 113.6 | 165.3 | 58 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 16 | L | 39.4 | Very low | 40.6 | Very low | 167 Ų | 167 | 152.4 Ų | 152.4 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | 52.1 | 154.5 | 135.7 | -56.7 | 176 | 0 | 0 | 0 | 124.6 | ||||
| 17 | H | 33.9 | Very low | 40 | Very low | 183 Ų | 183 | 152.6 Ų | 152.6 | 85% | 0.847 | 82% | 0.819 | S | S | * | * | trans | 74.3 | 155.2 | 167.2 | -100.8 | -93.5 | 0 | 0 | 0 | 117.4 | ||||
| 18 | S | 34.1 | Very low | 39.4 | Very low | 75 Ų | 75 | 154.3 Ų | 154.3 | 52% | 0.524 | 82% | 0.821 | S | S | . | * | cis | -158.9 | 151 | 5.1 | -165.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 19 | T | 40.7 | Very low | 39.2 | Very low | 131 Ų | 131 | 161.3 Ų | 161.3 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | 66.3 | 160.1 | 147.6 | 35.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 20 | P | 48 | Very low | 38.9 | Very low | 115 Ų | 115 | 156.3 Ų | 156.3 | 75% | 0.747 | 82% | 0.824 | S | S | * | * | trans | -115 | 165.8 | -161.7 | 42.3 | -33.8 | 0 | 0 | 0 | 116.8 | ||||
| 21 | M | 39.7 | Very low | 38.6 | Very low | 191 Ų | 191 | 153.3 Ų | 153.3 | 94% | 0.941 | 83% | 0.828 | S | S | * | * | trans | -129.7 | 158.4 | 159.3 | -69.6 | -162.2 | 85.1 | 0 | 0 | 111.8 | ||||
| 22 | K | 41.6 | Very low | 38 | Very low | 201 Ų | 201 | 148 Ų | 148 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | trans | -104.5 | 133.7 | 176.1 | -67 | 175.7 | 177.7 | 175.9 | 0 | 111 | ||||
| 23 | M | 41.9 | Very low | 38.1 | Very low | 200 Ų | 200 | 149 Ų | 149 | 99% | 0.985 | 83% | 0.828 | S | S | * | * | trans | -140.7 | 161.4 | 142.2 | -74.5 | -159 | 175.3 | 0 | 0 | 108.8 | ||||
| 24 | A | 36 | Very low | 37.7 | Very low | 94 Ų | 94 | 140.7 Ų | 140.7 | 78% | 0.777 | 82% | 0.821 | S | S | * | * | trans | -142.8 | 157.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 25 | V | 34.5 | Very low | 36.7 | Very low | 133 Ų | 133 | 140.6 Ų | 140.6 | 81% | 0.806 | 82% | 0.822 | S | S | * | * | trans | -165.1 | 126.4 | 154.5 | 133.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 26 | H | 37.4 | Very low | 36.8 | Very low | 164 Ų | 164 | 143.2 Ų | 143.2 | 76% | 0.759 | 83% | 0.827 | S | S | * | * | trans | 50.9 | 112.3 | 153.7 | -68.6 | -115.3 | 0 | 0 | 0 | 121.8 | ||||
| 27 | N | 32.5 | Very low | 37.1 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | trans | -81.1 | 149.2 | 142 | -77.7 | -30.2 | 0 | 0 | 0 | 109.8 | ||||
| 28 | L | 34.9 | Very low | 37.2 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | trans | -97.2 | 141.9 | 164.6 | -71.2 | 168.4 | 0 | 0 | 0 | 110 | ||||
| 29 | Y | 34.8 | Very low | 37.4 | Very low | 224 Ų | 224 | 140 Ų | 140 | 88% | 0.878 | 84% | 0.835 | S | S | * | * | trans | -150.6 | 133.1 | 169.1 | -133.9 | -83.5 | 0 | 0 | 0 | 108.9 | ||||
| 30 | S | 33.5 | Very low | 37.2 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 85% | 0.853 | 84% | 0.839 | S | S | * | * | trans | -123.2 | 142.5 | 168.2 | -67.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 31 | A | 36.5 | Very low | 37.2 | Very low | 91 Ų | 91 | 145.2 Ų | 145.2 | 75% | 0.752 | 84% | 0.841 | S | S | * | * | trans | -136.3 | 151 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 32 | S | 30.6 | Very low | 37.3 | Very low | 126 Ų | 126 | 142 Ų | 142 | 88% | 0.881 | 83% | 0.834 | S | S | * | * | trans | -89.2 | 166.3 | 163.2 | 56 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 33 | A | 37.8 | Very low | 37.1 | Very low | 106 Ų | 106 | 142.1 Ų | 142.1 | 88% | 0.876 | 84% | 0.835 | S | S | * | * | trans | -131.1 | 160.2 | -149.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 34 | G | 33.4 | Very low | 37.1 | Very low | 76 Ų | 76 | 142.8 Ų | 142.8 | 78% | 0.784 | 83% | 0.832 | S | S | * | * | trans | 131.6 | 145.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 35 | S | 32.9 | Very low | 37.3 | Very low | 115 Ų | 115 | 150.1 Ų | 150.1 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | cis | -160.5 | 115.9 | -24.9 | -169.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 36 | L | 38.6 | Very low | 37.6 | Very low | 164 Ų | 164 | 147.5 Ų | 147.5 | 86% | 0.859 | 84% | 0.839 | S | S | * | * | trans | 20.2 | 162.4 | 153.6 | -59.3 | -178.7 | 0 | 0 | 0 | 123 | ||||
| 37 | P | 44.7 | Very low | 38.1 | Very low | 123 Ų | 123 | 151.7 Ų | 151.7 | 80% | 0.799 | 85% | 0.849 | S | S | * | * | cis | -123.6 | 171.1 | -0.8 | 40.3 | -26.6 | 0 | 0 | 0 | 114.8 | ||||
| 38 | A | 36 | Very low | 38.7 | Very low | 94 Ų | 94 | 153.5 Ų | 153.5 | 78% | 0.777 | 85% | 0.849 | S | S | * | * | trans | -130.4 | 154.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 39 | V | 39.4 | Very low | 38.9 | Very low | 140 Ų | 140 | 152 Ų | 152 | 85% | 0.848 | 85% | 0.849 | S | S | * | * | trans | -73.1 | 140.2 | -169.6 | 179.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 40 | K | 36.6 | Very low | 39 | Very low | 201 Ų | 201 | 144.4 Ų | 144.4 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | trans | -87.2 | 125 | 178.4 | -64 | 176.8 | -178.5 | 173.9 | 0 | 111.7 | ||||
| 41 | I | 48.3 | Very low | 39.5 | Very low | 155 Ų | 155 | 150.2 Ų | 150.2 | 80% | 0.795 | 84% | 0.844 | S | S | * | * | trans | -107.5 | 120.1 | 173.8 | -58.4 | 176.5 | 0 | 0 | 0 | 110 | ||||
| 42 | P | 41.3 | Very low | 39.7 | Very low | 123 Ų | 123 | 155.8 Ų | 155.8 | 80% | 0.799 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 130.6 | -178.1 | -18 | 32.3 | 0 | 0 | 0 | 114.3 | ||
| 43 | K | 37.9 | Very low | 40.4 | Very low | 204 Ų | 204 | 158.1 Ų | 158.1 | 89% | 0.887 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 119.9 | 167 | -70.5 | 179.6 | 176.9 | 176.8 | 0 | 110.4 | R45 | K43-R45 PolarHBondContact O-N 2.91Š|
| 44 | K | 41.2 | Very low | 40.5 | Very low | 214 Ų | 214 | 162.7 Ų | 162.7 | 93% | 0.93 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -70 | 122.4 | 171.5 | -76.5 | -174.5 | 174.9 | 178.6 | 0 | 110.7 | ||
| 45 | R | 41.3 | Very low | 40.8 | Very low | 249 Ų | 249 | 164.7 Ų | 164.7 | 94% | 0.94 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 160 | 168.9 | -89 | -178.2 | 166.2 | -179 | -4.8 | 111.1 | K43 | K43-R45 PolarHBondContact O-N 2.91Š|
| 46 | G | 39.7 | Very low | 41.2 | Very low | 77 Ų | 77 | 170.2 Ų | 170.2 | 79% | 0.794 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 173.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 47 | R | 48.7 | Very low | 41.2 | Very low | 253 Ų | 253 | 168 Ų | 168 | 96% | 0.955 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -71 | 146 | -179.4 | -63.8 | 178.8 | 176.7 | -178.3 | -2.1 | 111.6 | ||
| 48 | K | 44.8 | Very low | 41.1 | Very low | 200 Ų | 200 | 168.8 Ų | 168.8 | 87% | 0.87 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 148.5 | 171.6 | -70.7 | -176.3 | 176.3 | -177.5 | 0 | 111 | ||
| 49 | P | 39 | Very low | 41.2 | Very low | 134 Ų | 134 | 171.4 Ų | 171.4 | 87% | 0.87 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 160.4 | 171.4 | -9 | 26.7 | 0 | 0 | 0 | 112.7 | ||
| 50 | G | 37.8 | Very low | 41.2 | Very low | 66 Ų | 66 | 170.6 Ų | 170.6 | 68% | 0.68 | 84% | 0.841 | S | S | * | * | trans | 111.8 | 64.9 | 147.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 51 | Y | 42.2 | Very low | 41.7 | Very low | 243 Ų | 243 | 165.9 Ų | 165.9 | 95% | 0.953 | 83% | 0.831 | S | S | * | * | trans | -137.8 | 136.4 | 144.9 | -89.1 | -80.1 | 0 | 0 | 0 | 109.3 | ||||
| 52 | K | 41.3 | Very low | 41 | Very low | 209 Ų | 209 | 166.9 Ų | 166.9 | 91% | 0.909 | 84% | 0.837 | S | S | * | * | trans | -108.2 | 130.3 | 179.4 | -69.9 | -172.1 | 179.5 | -177.4 | 0 | 110.4 | ||||
| 53 | I | 45.3 | Very low | 41 | Very low | 174 Ų | 174 | 165.3 Ų | 165.3 | 89% | 0.892 | 83% | 0.834 | S | S | * | * | trans | -135.8 | 154 | 158.4 | -102.2 | 158.3 | 0 | 0 | 0 | 108.2 | ||||
| 54 | K | 41.2 | Very low | 40.9 | Very low | 202 Ų | 202 | 164 Ų | 164 | 88% | 0.878 | 84% | 0.836 | S | S | * | * | trans | -93.5 | 151.7 | -151.6 | -58.9 | 173.7 | -175.6 | 174.1 | 0 | 113.1 | ||||
| 55 | S | 38.1 | Very low | 40.9 | Very low | 119 Ų | 119 | 158.8 Ų | 158.8 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | trans | -76.3 | 146.2 | 169.5 | 176.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 56 | R | 42.7 | Very low | 41.2 | Very low | 231 Ų | 231 | 152.8 Ų | 152.8 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | trans | -150.3 | 103.4 | 153.1 | -172.2 | 172.8 | -72 | -139.4 | 2 | 111.8 | ||||
| 57 | V | 37.1 | Very low | 41.5 | Very low | 117 Ų | 117 | 155.3 Ų | 155.3 | 71% | 0.709 | 82% | 0.822 | S | S | * | * | trans | 42.4 | 104.3 | 136.5 | -171.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 58 | L | 42.5 | Very low | 41.2 | Very low | 140 Ų | 140 | 154.8 Ų | 154.8 | 73% | 0.733 | 82% | 0.82 | S | S | * | * | 32.5 | 120.2 | 123.3 | -171.2 | 78.9 | 0 | 0 | 0 | 119.2 | |||||
| 59 | M | 39 | Very low | 41 | Very low | 149 Ų | 149 | 151 Ų | 151 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | -167.9 | 153.4 | 127.3 | -107.3 | -65.2 | 112.1 | 0 | 0 | 112.9 | |||||
| 60 | T | 38.7 | Very low | 41.3 | Very low | 122 Ų | 122 | 150.9 Ų | 150.9 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | trans | -161.3 | 126.6 | 173.8 | -57.8 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 61 | P | 47 | Very low | 41.8 | Very low | 103 Ų | 103 | 153.8 Ų | 153.8 | 67% | 0.669 | 82% | 0.823 | S | S | * | * | -155.3 | -163.3 | 77.4 | 40.3 | -18.1 | 0 | 0 | 0 | 116.3 | |||||
| 62 | L | 34.7 | Very low | 42.1 | Very low | 175 Ų | 175 | 151.1 Ų | 151.1 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | trans | 91 | 149.9 | 164.6 | -67 | 162.6 | 0 | 0 | 0 | 117.5 | ||||
| 63 | A | 41.8 | Very low | 42.8 | Very low | 91 Ų | 91 | 146.4 Ų | 146.4 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | trans | -123.3 | 146.7 | -160.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 64 | L | 35.3 | Very low | 42.5 | Very low | 176 Ų | 176 | 144.5 Ų | 144.5 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -135.4 | 153.9 | 159.5 | -71.6 | 177.2 | 0 | 0 | 0 | 108.6 | ||||
| 65 | S | 40.4 | Very low | 42.8 | Very low | 105 Ų | 105 | 142.4 Ų | 142.4 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 156.9 | -170.8 | 38.7 | 0 | 0 | 0 | 0 | 113.7 | ||
| 66 | P | 48.6 | Very low | 43.4 | Very low | 123 Ų | 123 | 141 Ų | 141 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 137 | 170.5 | -19 | 32.1 | 0 | 0 | 0 | 111.5 | ||
| 67 | P | 46.2 | Very low | 43.9 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 134.1 | 177.5 | 29.4 | -34 | 0 | 0 | 0 | 111.9 | S69 | P67-S69 PolarHBondContact O-N 2.62Š|
| 68 | R | 42.8 | Very low | 44.5 | Very low | 242 Ų | 242 | 136.8 Ų | 136.8 | 91% | 0.913 | 79% | 0.787 | S | S | * | * | trans | -79.5 | 103.2 | 173 | 175.2 | -172.6 | -172.9 | 168.8 | 2.6 | 109.9 | ||||
| 69 | S | 38.7 | Very low | 44.6 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | -176.7 | 100.7 | 158.1 | -83.9 | 0 | 0 | 0 | 0 | 113.8 | P67 | P67-S69 PolarHBondContact O-N 2.62Š| ||
| 70 | T | 45.5 | Very low | 45.4 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | -144.8 | 129.4 | 151 | 48.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 71 | P | 48.4 | Very low | 46.1 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 151 | -178.9 | 30.6 | -34.9 | 0 | 0 | 0 | 111.8 | ||
| 72 | E | 49.1 | Very low | 46.1 | Very low | 186 Ų | 186 | 139.3 Ų | 139.3 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 143.7 | 173.2 | -63.4 | -176.4 | 119.9 | 0 | 0 | 110.9 | ||
| 73 | P | 56.1 | Low | 46.4 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 126 | 166.2 | 31.4 | -31.4 | 0 | 0 | 0 | 109.9 | L75 | P73-L75 PolarHBondContact O-N 3.5Š|
| 74 | D | 38.7 | Very low | 46.7 | Very low | 135 Ų | 135 | 137.1 Ų | 137.1 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 117 | -176.5 | -162.8 | -31.6 | 0 | 0 | 0 | 111.5 | S76 | D74-S76 VanDerWaalsContact C-N 3.35Å; D74-S76 VanDerWaalsContact CG-OG 3.27Å; D74-S76 PolarHBondContact O-N 3.45Å; D74-S76 WeakPolarHBondContact OD1-CB 3.42Å; D74-S76 PolarHBondContact OD1-N 3.08Å; D74-S76 PolarHBondContact OD1-OG 2.75Å |
| 75 | L | 47.9 | Very low | 47.3 | Very low | 157 Ų | 157 | 133.6 Ų | 133.6 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -96.1 | 42.5 | -176.5 | -68.2 | 179.7 | 0 | 0 | 0 | 112.8 | P73 | P73-L75 PolarHBondContact O-N 3.5Š| ||
| 76 | S | 51.2 | Low | 47.6 | Very low | 90 Ų | 90 | 133.7 Ų | 133.7 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | trans | -97.6 | 33.4 | -173.6 | 50.9 | 0 | 0 | 0 | 0 | 115.5 | D74 | D74-S76 VanDerWaalsContact C-N 3.35Å; D74-S76 VanDerWaalsContact CG-OG 3.27Å; D74-S76 PolarHBondContact O-N 3.45Å; D74-S76 WeakPolarHBondContact OD1-CB 3.42Å; D74-S76 PolarHBondContact OD1-N 3.08Å; D74-S76 PolarHBondContact OD1-OG 2.75Å | ||
| 77 | S | 52.1 | Low | 47.5 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -158.3 | 72.9 | 170.6 | 42.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 78 | I | 50.4 | Low | 47.5 | Very low | 150 Ų | 150 | 134.7 Ų | 134.7 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -128.4 | 123.4 | 159.4 | -57 | 179.4 | 0 | 0 | 0 | 108.1 | ||||
| 79 | P | 44.4 | Very low | 48 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | trans | -69.3 | 135.3 | 179.9 | 28.2 | -33.9 | 0 | 0 | 0 | 111.4 | D81 | P79-D81 PolarHBondContact O-N 3.29Å; P79-D81 VanDerWaalsContact O-N 3.13Å | ||
| 80 | Q | 54.7 | Low | 48.9 | Very low | 204 Ų | 204 | 124.9 Ų | 124.9 | 95% | 0.953 | 76% | 0.762 | S | S | * | * | trans | -83.4 | 78 | 177.1 | -68.4 | -174.1 | -8.1 | 0 | 0 | 111.6 | ||||
| 81 | D | 53.8 | Low | 49.4 | Very low | 151 Ų | 151 | 124.7 Ų | 124.7 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | trans | -151.5 | 164.4 | 162.3 | -150.3 | -14.2 | 0 | 0 | 0 | 112.2 | P79 A83 | P79-D81 PolarHBondContact O-N 3.29Å; P79-D81 VanDerWaalsContact O-N 3.13Å; D81-A83 PolarHBondContact O-N 3.18Å | ||
| 82 | A | 46.5 | Very low | 50 | Low | 96 Ų | 96 | 126.9 Ų | 126.9 | 79% | 0.793 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 62.7 | 35.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 83 | A | 41.2 | Very low | 51.2 | Low | 80 Ų | 80 | 120.8 Ų | 120.8 | 66% | 0.661 | 74% | 0.743 | S | S | * | * | trans | -142.2 | 59 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D81 V85 | D81-A83 PolarHBondContact O-N 3.18Å; A83-V85 PolarHBondContact O-N 2.89Å | ||
| 84 | T | 47.9 | Very low | 52.7 | Low | 141 Ų | 141 | 121.2 Ų | 121.2 | 87% | 0.865 | 74% | 0.739 | S | S | * | * | trans | -69.3 | 77.4 | 163.4 | -54.6 | 0 | 0 | 0 | 0 | 109.7 | P86 | T84-P86 VanDerWaalsContact O-CD 3.23Å; T84-P86 WeakPolarHBondContact O-CD 3.41Å | ||
| 85 | V | 49.6 | Very low | 55.3 | Low | 102 Ų | 102 | 119 Ų | 119 | 62% | 0.618 | 73% | 0.731 | S | S | * | * | trans | -66.9 | 113.6 | 165.2 | -178 | 0 | 0 | 0 | 0 | 106.5 | A83 S87 | A83-V85 PolarHBondContact O-N 2.89Å; V85-S87 PolarHBondContact O-N 2.79Å | ||
| 86 | P | 45 | Very low | 57.5 | Low | 107 Ų | 107 | 112.2 Ų | 112.2 | 70% | 0.695 | 70% | 0.696 | S | S | * | * | trans | -60.4 | 127.9 | 171.1 | -15.7 | 30.6 | 0 | 0 | 0 | 106.8 | T84 L88 | T84-P86 VanDerWaalsContact O-CD 3.23Å; T84-P86 WeakPolarHBondContact O-CD 3.41Å; P86-L88 PolarHBondContact O-N 3.43Å | ||
| 87 | S | 46.4 | Very low | 59.7 | Low | 116 Ų | 116 | 109.5 Ų | 109.5 | 81% | 0.811 | 68% | 0.676 | S | S | * | * | trans | -42.9 | 115.7 | -176.1 | -178.5 | 0 | 0 | 0 | 0 | 109.9 | V85 A89 | V85-S87 PolarHBondContact O-N 2.79Å; S87-A89 VanDerWaalsContact C-N 3.27Å; S87-A89 PolarHBondContact O-N 2.88Å | ||
| 88 | L | 47.4 | Very low | 61.8 | Low | 156 Ų | 156 | 104.3 Ų | 104.3 | 82% | 0.817 | 64% | 0.64 | S | S | * | * | trans | -63.6 | 92.8 | -175.4 | -100.4 | 164.3 | 0 | 0 | 0 | 107.7 | P86 A90 | P86-L88 PolarHBondContact O-N 3.43Å; L88-A90 PolarHBondContact O-N 3.07Å | ||
| 89 | A | 52.2 | Low | 64.1 | Low | 78 Ų | 78 | 100.3 Ų | 100.3 | 65% | 0.645 | 62% | 0.615 | S | S | * | * | trans | -55.8 | 107.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | S87 P91 | S87-A89 VanDerWaalsContact C-N 3.27Å; S87-A89 PolarHBondContact O-N 2.88Å; A89-P91 VanDerWaalsContact O-N 3.15Å | ||
| 90 | A | 57.3 | Low | 66.6 | Low | 79 Ų | 79 | 95 Ų | 95 | 65% | 0.653 | 58% | 0.581 | S | S | * | * | trans | -50.7 | 125.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | L88 Q92 | L88-A90 PolarHBondContact O-N 3.07Å; A90-Q92 PolarHBondContact O-N 2.67Å | ||
| 91 | P | 56.2 | Low | 68.5 | Low | 127 Ų | 127 | 86.9 Ų | 86.9 | 83% | 0.825 | 54% | 0.544 | S | S | * | . | trans | -56.4 | 111.6 | -163.9 | 19.8 | -32.6 | 0 | 0 | 0 | 109.1 | A89 A93 | A89-P91 VanDerWaalsContact O-N 3.15Å; P91-A93 PolarHBondContact O-N 2.63Å | ||
| 92 | Q | 61.9 | Low | 70.4 | Confident | 175 Ų | 175 | 82.1 Ų | 82.1 | 82% | 0.818 | 52% | 0.516 | S | S | * | . | trans | -64 | 97.8 | -169.5 | -67.2 | -178.5 | 7.4 | 0 | 0 | 108.3 | A90 L94 | A90-Q92 PolarHBondContact O-N 2.67Å; Q92-L94 PolarHBondContact O-N 2.65Å | ||
| 93 | A | 74.7 | Confident | 72.4 | Confident | 58 Ų | 58 | 85 Ų | 85 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | trans | -59.5 | 125.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | P91 T95 | P91-A93 PolarHBondContact O-N 2.63Å; A93-T95 PolarHBondContact O-N 3.22Å | ||
| 94 | L | 87.1 | Confident | 74.7 | Confident | 119 Ų | 119 | 81.6 Ų | 81.6 | 62% | 0.623 | 49% | 0.485 | S | S | * | . | trans | -51.5 | 114.1 | -177.8 | -65.3 | 174 | 0 | 0 | 0 | 109.6 | Q92 P127 | Q92-L94 PolarHBondContact O-N 2.65Å; L94-P127 WeakPolarHBondContact O-CD 3.49Å | ||
| 95 | T | 93.1 | Very high | 76.8 | Confident | 89 Ų | 89 | 79.7 Ų | 79.7 | 55% | 0.546 | 47% | 0.47 | S | S | . | . | trans | -101.2 | 158.8 | 173.5 | 49 | 0 | 0 | 0 | 0 | 110.5 | A93 E125 | A93-T95 PolarHBondContact O-N 3.22Å; T95-E125 CarbonylContact C-O 3.59Å; T95-E125 VanDerWaalsContact CA-O 3.26Å; T95-E125 WeakPolarHBondContact CA-O 3.1Å | ||
| 96 | V | 94.9 | Very high | 78.9 | Confident | 14 Ų | 14 | 75.1 Ų | 75.1 | 9% | 0.085 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 149.1 | 174.9 | 63.3 | 0 | 0 | 0 | 0 | 109.5 | P124 E125 P127 V130 V182 | V96-P124 WeakPolarHBondContact O-CA 3.38Å; V96-E125 PolarHBondContact N-O 3Å; V96-E125 PolarHBondContact O-N 2.89Å; V96-P127 HydrophobicContact CG1-CB 4.24Å; V96-P127 HydrophobicContact CG1-CG 4.01Å; V96-V130 HydrophobicContact CG1-CB 3.97Å; V96-V130 HydrophobicContact CG1-CG1 4.16Å; V96-V130 HydrophobicContact CG1-CG2 3.91Å; V96-V182 HydrophobicContact CB-CG2 3.85Å; V96-V182 HydrophobicContact CG2-CB 4.44Å; V96-V182 HydrophobicContact CG2-CG1 3.86Å; V96-V182 HydrophobicContact CG2-CG2 3.77Å |
| 97 | C | 96.5 | Very high | 81.2 | Confident | 32 Ų | 32 | 70.9 Ų | 70.9 | 22% | 0.216 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 141.6 | 164.7 | -61.4 | 0 | 0 | 0 | 0 | 109.5 | Y99 F122 | C97-Y99 HydrophobicContact CB-CE2 4.04Å; C97-F122 CarbonylContact C-O 3.57Å; C97-F122 VanDerWaalsContact CA-O 3.25Å; C97-F122 WeakPolarHBondContact CA-O 3.33Å |
| 98 | L | 97.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 118 | 164.4 | -73 | -176.2 | 0 | 0 | 0 | 109.7 | H121 F122 V130 A134 V185 L186 L189 S203 H204 | L98-H121 CarbonylContact O-C 3.57Å; L98-H121 WeakPolarHBondContact O-CA 3.18Å; L98-H121 VanDerWaalsContact O-CB 3.29Å; L98-H121 WeakPolarHBondContact O-CB 3.32Å; L98-F122 PolarHBondContact N-O 3.31Å; L98-F122 PolarHBondContact O-N 3.09Å; L98-V130 HydrophobicContact CB-CG1 3.91Å; L98-V130 HydrophobicContact CD1-CG1 3.62Å; L98-V130 HydrophobicContact CG-CG1 3.55Å; L98-A134 HydrophobicContact CD1-CB 4.3Å; L98-V185 HydrophobicContact CD1-CG1 3.96Å; L98-L186 HydrophobicContact CD2-CD2 3.9Å; L98-L189 HydrophobicContact CD1-CD1 3.25Å; L98-S203 CarbonylContact C-O 3.32Å; L98-S203 VanDerWaalsContact CA-O 3.32Å; L98-S203 WeakPolarHBondContact CA-O 3.37Å; L98-H204 HydrophobicContact CD2-CB 4.26Å |
| 99 | Y | 97.5 | Very high | 85.9 | Confident | 66 Ų | 66 | 65.6 Ų | 65.6 | 26% | 0.259 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 146.4 | 173.9 | -58.8 | -87.8 | 0 | 0 | 0 | 110.2 | C97 E120 H121 F202 S203 Q205 P206 | C97-Y99 HydrophobicContact CB-CE2 4.04Å; Y99-E120 WeakPolarHBondContact CA-O 3.19Å; Y99-H121 HydrophobicContact CD1-CB 3.78Å; Y99-H121 HydrophobicContact CE1-CB 4.14Å; Y99-H121 HydrophobicContact CG-CB 4.3Å; Y99-F202 WeakPolarHBondContact O-CA 3.48Å; Y99-S203 PolarHBondContact N-O 3.37Å; Y99-S203 PolarHBondContact O-N 3.31Å; Y99-Q205 WeakPolarHBondContact CD2-O 3.36Å; Y99-P206 HydrophobicContact CD1-CB 4.1Å; Y99-P206 HydrophobicContact CD2-CB 4.31Å; Y99-P206 HydrophobicContact CE1-CB 3.96Å; Y99-P206 HydrophobicContact CE2-CB 4.17Å; Y99-P206 HydrophobicContact CG-CB 4.28Å |
| 100 | I | 96.8 | Very high | 88 | Confident | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.9 | -177.2 | -61.6 | 167.2 | 0 | 0 | 0 | 109.5 | K102 L118 P119 E120 F122 L201 F202 | I100-K102 PolarHBondContact O-N 3.29Å; I100-L118 HydrophobicContact CD1-CB 4.09Å; I100-L118 HydrophobicContact CD1-CD1 4.37Å; I100-L118 HydrophobicContact CG2-CD1 4.24Å; I100-P119 HydrophobicContact CD1-CG 4.2Å; I100-P119 VanDerWaalsContact CD1-O 3.31Å; I100-P119 WeakPolarHBondContact CD1-O 3.45Å; I100-E120 PolarHBondContact N-O 3.18Å; I100-F122 HydrophobicContact CD1-CD2 4.01Å; I100-F122 HydrophobicContact CD1-CE1 4.38Å; I100-F122 HydrophobicContact CD1-CE2 3.58Å; I100-F122 HydrophobicContact CD1-CZ 3.77Å; I100-F122 HydrophobicContact CG1-CE2 4.37Å; I100-L201 WeakPolarHBondContact CA-O 3.47Å; I100-L201 HydrophobicContact CG2-CD1 4.17Å; I100-F202 HydrophobicContact CD1-CE1 4.4Å; I100-F202 HydrophobicContact CG1-CD1 3.95Å; I100-F202 HydrophobicContact CG1-CE1 3.91Å |
| 101 | N | 95 | Very high | 89.9 | Confident | 34 Ų | 34 | 60.8 Ų | 60.8 | 18% | 0.182 | 33% | 0.331 | C | S | . | . | trans | -84.8 | 92 | 175.7 | -175.2 | -0.4 | 0 | 0 | 0 | 110.3 | Q103 A104 D200 L201 F207 | N101-Q103 PolarHBondContact O-N 2.99Å; N101-Q103 VanDerWaalsContact O-N 3.1Å; N101-Q103 PolarHBondContact OD1-N 3.3Å; N101-Q103 VanDerWaalsContact OD1-N 3.12Å; N101-A104 HydrophobicContact CB-CB 3.93Å; N101-A104 WeakPolarHBondContact O-CB 3.36Å; N101-A104 PolarHBondContact O-N 2.83Å; N101-A104 PolarHBondContact OD1-N 3.25Å; N101-D200 WeakPolarHBondContact CB-O 3.34Å; N101-D200 PolarHBondContact ND2-O 3.29Å; N101-L201 PolarHBondContact N-O 3.03Å; N101-F207 HydrophobicContact CB-CD1 4.4Å; N101-F207 HydrophobicContact CB-CD2 4.13Å; N101-F207 HydrophobicContact CB-CE1 3.95Å; N101-F207 HydrophobicContact CB-CE2 3.66Å; N101-F207 HydrophobicContact CB-CG 4.49Å; N101-F207 HydrophobicContact CB-CZ 3.56Å | ||
| 102 | K | 93.1 | Very high | 91.8 | Very high | 51 Ų | 51 | 61.6 Ų | 61.6 | 22% | 0.222 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -16.4 | 176.9 | -67.5 | -175.5 | 170.1 | -173.2 | 0 | 114.4 | I100 Q116 L118 E120 | I100-K102 PolarHBondContact O-N 3.29Å; K102-Q116 WeakPolarHBondContact CE-O 3.38Å; K102-Q116 PolarHBondContact NZ-O 2.95Å; K102-L118 WeakPolarHBondContact CE-O 3.22Å; K102-L118 PolarHBondContact NZ-O 3.26Å; K102-E120 WeakPolarHBondContact CD-OE1 3.46Å; K102-E120 WeakPolarHBondContact CE-OE1 3.31Å; K102-E120 IonicContact NZ-OE1 2.67Å; K102-E120 PolarHBondContact NZ-OE1 3.34Å |
| 103 | Q | 89.6 | Confident | 93.4 | Very high | 156 Ų | 156 | 62 Ų | 62 | 73% | 0.729 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 0.8 | 177.1 | -52.9 | -66.8 | 50 | 0 | 0 | 113 | N101 | N101-Q103 PolarHBondContact O-N 2.99Å; N101-Q103 VanDerWaalsContact O-N 3.1Å; N101-Q103 PolarHBondContact OD1-N 3.3Å; N101-Q103 VanDerWaalsContact OD1-N 3.12Å |
| 104 | A | 88.9 | Confident | 94.5 | Very high | 9 Ų | 9 | 62.6 Ų | 62.6 | 7% | 0.074 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -61.4 | 161.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N101 A106 L201 | N101-A104 HydrophobicContact CB-CB 3.93Å; N101-A104 WeakPolarHBondContact O-CB 3.36Å; N101-A104 PolarHBondContact O-N 2.83Å; N101-A104 PolarHBondContact OD1-N 3.25Å; A104-A106 PolarHBondContact O-N 3.25Å; A104-L201 HydrophobicContact CB-CB 4.35Å; A104-L201 HydrophobicContact CB-CD1 4.28Å |
| 105 | N | 92.5 | Very high | 95 | Very high | 101 Ų | 101 | 57.1 Ų | 57.1 | 54% | 0.54 | 28% | 0.275 | S | S | . | . | trans | -68.5 | 119.3 | 164.5 | -173.2 | 8.5 | 0 | 0 | 0 | 108.8 | G107 C198 | N105-G107 PolarHBondContact O-N 2.98Å; N105-G107 PolarHBondContact OD1-N 3.43Å; N105-G107 VanDerWaalsContact OD1-N 3.08Å; N105-C198 WeakPolarHBondContact O-CA 3.32Å; N105-C198 WeakPolarHBondContact O-CB 3.37Å | ||
| 106 | A | 93.1 | Very high | 95.1 | Very high | 5 Ų | 5 | 57 Ų | 57 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | trans | -72.4 | -9.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A104 L110 R112 V115 C198 | A104-A106 PolarHBondContact O-N 3.25Å; A106-L110 HydrophobicContact CB-CB 4.23Å; A106-L110 WeakPolarHBondContact O-CB 3.41Å; A106-R112 HydrophobicContact CB-CB 4.21Å; A106-V115 HydrophobicContact CB-CG2 4.31Å; A106-C198 WeakPolarHBondContact O-CB 3.3Å | ||
| 107 | G | 93.2 | Very high | 95.2 | Very high | 19 Ų | 19 | 63.7 Ų | 63.7 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | -171 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N105 L197 | N105-G107 PolarHBondContact O-N 2.98Å; N105-G107 PolarHBondContact OD1-N 3.43Å; N105-G107 VanDerWaalsContact OD1-N 3.08Å; G107-L197 VanDerWaalsContact CA-O 3.29Å; G107-L197 WeakPolarHBondContact CA-O 3.43Å |
| 108 | P | 95.6 | Very high | 95.2 | Very high | 78 Ų | 78 | 63.3 Ų | 63.3 | 51% | 0.506 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -19.4 | 176.1 | 32.5 | -32.6 | 0 | 0 | 0 | 112.6 | H143 L197 | P108-H143 PolarHBondContact O-ND1 3.37Å; P108-L197 HydrophobicContact CG-CD1 4.2Å |
| 109 | Y | 96.4 | Very high | 95.2 | Very high | 82 Ų | 82 | 66.3 Ų | 66.3 | 32% | 0.322 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -26.2 | -172.2 | -61.3 | -75.9 | 0 | 0 | 0 | 114.1 | A142 H143 L147 L196 | Y109-A142 CarbonylContact O-C 3.58Å; Y109-A142 VanDerWaalsContact O-CA 3.32Å; Y109-A142 WeakPolarHBondContact O-CA 3.38Å; Y109-H143 PolarHBondContact O-N 3.1Å; Y109-L147 HydrophobicContact CE1-CD1 4.19Å; Y109-L196 HydrophobicContact CD2-CB 4.47Å; Y109-L196 HydrophobicContact CD2-CD2 4.26Å; Y109-L196 WeakPolarHBondContact CD2-O 3.36Å; Y109-L196 HydrophobicContact CG-CD2 4.15Å |
| 110 | L | 97.2 | Very high | 95.1 | Very high | 3 Ų | 3 | 68.5 Ų | 68.5 | 2% | 0.016 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -107.7 | 141.4 | -178.6 | -48.8 | -178 | 0 | 0 | 0 | 111.9 | A106 R112 V115 C138 C141 A142 H143 L196 C198 L201 | A106-L110 HydrophobicContact CB-CB 4.23Å; A106-L110 WeakPolarHBondContact O-CB 3.41Å; L110-R112 PolarHBondContact O-N 3.45Å; L110-V115 HydrophobicContact CB-CG2 4.03Å; L110-V115 HydrophobicContact CD1-CG2 4.38Å; L110-C138 WeakPolarHBondContact CD2-O 3.3Å; L110-C141 HydrophobicContact CB-CB 4.37Å; L110-C141 HydrophobicContact CD2-CB 4.31Å; L110-A142 HydrophobicContact CD2-CB 4.39Å; L110-H143 VanDerWaalsContact C-CE1 3.48Å; L110-H143 PolarHBondContact O-CE1 2.78Å; L110-L196 HydrophobicContact CD2-CD1 4.37Å; L110-C198 HydrophobicContact CD1-CB 4.24Å; L110-L201 HydrophobicContact CD1-CD2 3.88Å |
| 111 | E | 97.2 | Very high | 95.1 | Very high | 53 Ų | 53 | 72.1 Ų | 72.1 | 25% | 0.248 | 34% | 0.343 | C | S | . | . | trans | -81.4 | 111.5 | 177 | -171.2 | -178 | 161.9 | 0 | 0 | 110.4 | R113 K114 V115 C141 H143 | E111-R113 HydrophobicContact CG-CB 4.33Å; E111-R113 PolarHBondContact O-N 2.97Å; E111-K114 HydrophobicContact CB-CB 4.39Å; E111-K114 HydrophobicContact CB-CD 4.26Å; E111-K114 HydrophobicContact CB-CG 4.26Å; E111-K114 HydrophobicContact CG-CG 4.44Å; E111-K114 PolarHBondContact O-N 2.89Å; E111-K114 WeakPolarHBondContact OE2-CE 3.29Å; E111-K114 IonicContact OE2-NZ 2.72Å; E111-K114 PolarHBondContact OE2-NZ 3.24Å; E111-V115 PolarHBondContact O-N 3.27Å; E111-C141 WeakPolarHBondContact CB-O 3.36Å; E111-C141 PolarHBondContact N-O 3.03Å; E111-H143 WeakPolarHBondContact CA-NE2 3.41Å | ||
| 112 | R | 95.8 | Very high | 95.2 | Very high | 144 Ų | 144 | 71.7 Ų | 71.7 | 54% | 0.543 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -49.7 | -38 | -179.1 | 175.1 | 175.4 | -80.1 | 160.3 | -5.2 | 113.2 | A106 L110 K114 V115 Q116 | A106-R112 HydrophobicContact CB-CB 4.21Å; L110-R112 PolarHBondContact O-N 3.45Å; R112-K114 PolarHBondContact O-N 2.99Å; R112-V115 PolarHBondContact O-N 3.33Å; R112-Q116 HydrophobicContact CG-CG 4.4Å; R112-Q116 WeakPolarHBondContact O-CG 3.43Å; R112-Q116 PolarHBondContact O-N 3.49Å |
| 113 | R | 96.7 | Very high | 95.3 | Very high | 183 Ų | 183 | 70.1 Ų | 70.1 | 69% | 0.691 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.6 | -41.9 | 178.2 | -70 | -178.9 | 173 | -177.6 | -2.7 | 112.4 | E111 Q117 | E111-R113 HydrophobicContact CG-CB 4.33Å; E111-R113 PolarHBondContact O-N 2.97Å; R113-Q117 VanDerWaalsContact O-CG 3.27Å; R113-Q117 WeakPolarHBondContact O-CG 3.42Å; R113-Q117 PolarHBondContact O-N 2.85Å |
| 114 | K | 97.2 | Very high | 95.5 | Very high | 72 Ų | 72 | 66.9 Ų | 66.9 | 31% | 0.313 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70.9 | -40.6 | 175.8 | -66.1 | -178.3 | 178.7 | 129.8 | 0 | 111.6 | E111 R112 Q116 Q117 L118 D140 C141 | E111-K114 HydrophobicContact CB-CB 4.39Å; E111-K114 HydrophobicContact CB-CD 4.26Å; E111-K114 HydrophobicContact CB-CG 4.26Å; E111-K114 HydrophobicContact CG-CG 4.44Å; E111-K114 PolarHBondContact O-N 2.89Å; E111-K114 WeakPolarHBondContact OE2-CE 3.29Å; E111-K114 IonicContact OE2-NZ 2.72Å; E111-K114 PolarHBondContact OE2-NZ 3.24Å; R112-K114 PolarHBondContact O-N 2.99Å; K114-Q116 VanDerWaalsContact C-N 3.27Å; K114-Q116 PolarHBondContact O-N 2.94Å; K114-Q117 WeakPolarHBondContact O-CA 3.41Å; K114-Q117 WeakPolarHBondContact O-CB 3.17Å; K114-Q117 PolarHBondContact O-N 3.38Å; K114-L118 PolarHBondContact O-N 3.02Å; K114-D140 WeakPolarHBondContact CD-O 3.3Å; K114-C141 HydrophobicContact CB-CB 4.07Å |
| 115 | V | 96.7 | Very high | 95.9 | Very high | 4 Ų | 4 | 70.2 Ų | 70.2 | 2% | 0.024 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.8 | -38.5 | 175.8 | 175.6 | 0 | 0 | 0 | 0 | 111.7 | A106 L110 E111 R112 Q117 L118 C141 L201 | A106-V115 HydrophobicContact CB-CG2 4.31Å; L110-V115 HydrophobicContact CB-CG2 4.03Å; L110-V115 HydrophobicContact CD1-CG2 4.38Å; E111-V115 PolarHBondContact O-N 3.27Å; R112-V115 PolarHBondContact O-N 3.33Å; V115-Q117 VanDerWaalsContact C-N 3.31Å; V115-Q117 PolarHBondContact O-N 3.09Å; V115-L118 WeakPolarHBondContact O-CB 3.48Å; V115-L118 PolarHBondContact O-N 3.46Å; V115-C141 HydrophobicContact CG2-CB 4.04Å; V115-L201 HydrophobicContact CG1-CD1 3.69Å |
| 116 | Q | 96 | Very high | 96 | Very high | 85 Ų | 85 | 73.4 Ų | 73.4 | 40% | 0.397 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -70.4 | -24.6 | 175.7 | -72.1 | 171.9 | -34.2 | 0 | 0 | 113.6 | K102 R112 K114 | K102-Q116 WeakPolarHBondContact CE-O 3.38Å; K102-Q116 PolarHBondContact NZ-O 2.95Å; R112-Q116 HydrophobicContact CG-CG 4.4Å; R112-Q116 WeakPolarHBondContact O-CG 3.43Å; R112-Q116 PolarHBondContact O-N 3.49Å; K114-Q116 VanDerWaalsContact C-N 3.27Å; K114-Q116 PolarHBondContact O-N 2.94Å |
| 117 | Q | 96.9 | Very high | 96.2 | Very high | 155 Ų | 155 | 73.3 Ų | 73.3 | 72% | 0.724 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -84.4 | -8.4 | 177 | -69.2 | 165.3 | 9.4 | 0 | 0 | 113.9 | R113 K114 V115 | R113-Q117 VanDerWaalsContact O-CG 3.27Å; R113-Q117 WeakPolarHBondContact O-CG 3.42Å; R113-Q117 PolarHBondContact O-N 2.85Å; K114-Q117 WeakPolarHBondContact O-CA 3.41Å; K114-Q117 WeakPolarHBondContact O-CB 3.17Å; K114-Q117 PolarHBondContact O-N 3.38Å; V115-Q117 VanDerWaalsContact C-N 3.31Å; V115-Q117 PolarHBondContact O-N 3.09Å |
| 118 | L | 96.8 | Very high | 96.3 | Very high | 25 Ų | 25 | 73.1 Ų | 73.1 | 13% | 0.131 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -61.3 | 161 | 173.2 | -67.1 | 179.5 | 0 | 0 | 0 | 111.6 | I100 K102 K114 V115 A137 | I100-L118 HydrophobicContact CD1-CB 4.09Å; I100-L118 HydrophobicContact CD1-CD1 4.37Å; I100-L118 HydrophobicContact CG2-CD1 4.24Å; K102-L118 WeakPolarHBondContact CE-O 3.22Å; K102-L118 PolarHBondContact NZ-O 3.26Å; K114-L118 PolarHBondContact O-N 3.02Å; V115-L118 WeakPolarHBondContact O-CB 3.48Å; V115-L118 PolarHBondContact O-N 3.46Å; L118-A137 HydrophobicContact CD1-CB 4.28Å; L118-A137 HydrophobicContact CD2-CB 3.86Å |
| 119 | P | 96.6 | Very high | 96.3 | Very high | 63 Ų | 63 | 70.3 Ų | 70.3 | 41% | 0.409 | 33% | 0.327 | S | S | . | . | trans | -62 | 168.1 | 168.8 | 27.3 | -35.6 | 0 | 0 | 0 | 111.9 | I100 H121 F122 | I100-P119 HydrophobicContact CD1-CG 4.2Å; I100-P119 VanDerWaalsContact CD1-O 3.31Å; I100-P119 WeakPolarHBondContact CD1-O 3.45Å; P119-H121 VanDerWaalsContact C-N 3.28Å; P119-F122 HydrophobicContact CG-CD1 4.02Å; P119-F122 HydrophobicContact CG-CE1 3.55Å; P119-F122 HydrophobicContact CG-CZ 4.2Å | ||
| 120 | E | 95.3 | Very high | 96.4 | Very high | 111 Ų | 111 | 66.4 Ų | 66.4 | 52% | 0.519 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -70 | -27.1 | 173.6 | -60.7 | -56.6 | 128.1 | 0 | 0 | 112.3 | Y99 I100 K102 | Y99-E120 WeakPolarHBondContact CA-O 3.19Å; I100-E120 PolarHBondContact N-O 3.18Å; K102-E120 WeakPolarHBondContact CD-OE1 3.46Å; K102-E120 WeakPolarHBondContact CE-OE1 3.31Å; K102-E120 IonicContact NZ-OE1 2.67Å; K102-E120 PolarHBondContact NZ-OE1 3.34Å |
| 121 | H | 96.9 | Very high | 96.3 | Very high | 82 Ų | 82 | 66.3 Ų | 66.3 | 38% | 0.38 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 164.4 | 179.5 | 59.3 | -77.7 | 0 | 0 | 0 | 112.6 | L98 Y99 P119 G123 | L98-H121 CarbonylContact O-C 3.57Å; L98-H121 WeakPolarHBondContact O-CA 3.18Å; L98-H121 VanDerWaalsContact O-CB 3.29Å; L98-H121 WeakPolarHBondContact O-CB 3.32Å; Y99-H121 HydrophobicContact CD1-CB 3.78Å; Y99-H121 HydrophobicContact CE1-CB 4.14Å; Y99-H121 HydrophobicContact CG-CB 4.3Å; P119-H121 VanDerWaalsContact C-N 3.28Å; H121-G123 PolarHBondContact CD2-O 3.2Å |
| 122 | F | 97.6 | Very high | 96.4 | Very high | 24 Ų | 24 | 66.5 Ų | 66.5 | 11% | 0.105 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 145.1 | 165.9 | -65.2 | -50.3 | 0 | 0 | 0 | 109.9 | C97 L98 I100 P119 V130 Q133 A134 A137 F202 | C97-F122 CarbonylContact C-O 3.57Å; C97-F122 VanDerWaalsContact CA-O 3.25Å; C97-F122 WeakPolarHBondContact CA-O 3.33Å; L98-F122 PolarHBondContact N-O 3.31Å; L98-F122 PolarHBondContact O-N 3.09Å; I100-F122 HydrophobicContact CD1-CD2 4.01Å; I100-F122 HydrophobicContact CD1-CE1 4.38Å; I100-F122 HydrophobicContact CD1-CE2 3.58Å; I100-F122 HydrophobicContact CD1-CZ 3.77Å; I100-F122 HydrophobicContact CG1-CE2 4.37Å; P119-F122 HydrophobicContact CG-CD1 4.02Å; P119-F122 HydrophobicContact CG-CE1 3.55Å; P119-F122 HydrophobicContact CG-CZ 4.2Å; F122-V130 HydrophobicContact CB-CG1 4.05Å; F122-Q133 HydrophobicContact CB-CB 4.42Å; F122-Q133 HydrophobicContact CD1-CB 3.85Å; F122-Q133 HydrophobicContact CD1-CG 4.43Å; F122-Q133 HydrophobicContact CD2-CB 4.13Å; F122-Q133 HydrophobicContact CE1-CB 4.1Å; F122-Q133 HydrophobicContact CE2-CB 4.35Å; F122-Q133 HydrophobicContact CG-CB 3.88Å; F122-Q133 HydrophobicContact CZ-CB 4.36Å; F122-A134 HydrophobicContact CD2-CB 4.14Å; F122-A134 HydrophobicContact CE2-CB 4.17Å; F122-A137 HydrophobicContact CE2-CB 4.11Å; F122-A137 HydrophobicContact CZ-CB 3.74Å; F122-F202 HydrophobicContact CE2-CE1 4.12Å |
| 123 | G | 94.9 | Very high | 96.5 | Very high | 19 Ų | 19 | 62.3 Ų | 62.3 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 87.7 | -175.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | H121 E125 | H121-G123 PolarHBondContact CD2-O 3.2Å; G123-E125 VanDerWaalsContact CA-N 3.25Å |
| 124 | P | 94.9 | Very high | 96.5 | Very high | 87 Ų | 87 | 53.6 Ų | 53.6 | 57% | 0.565 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | cis | -71.7 | 111.3 | 9.8 | 27.4 | -34.7 | 0 | 0 | 0 | 113.3 | V96 | V96-P124 WeakPolarHBondContact O-CA 3.38Å |
| 125 | E | 95.9 | Very high | 96.6 | Very high | 80 Ų | 80 | 50.2 Ų | 50.2 | 37% | 0.374 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 173.2 | -177.6 | -87.2 | -170.9 | -112.1 | 0 | 0 | 111.2 | T95 V96 G123 A129 V130 Q133 | T95-E125 CarbonylContact C-O 3.59Å; T95-E125 VanDerWaalsContact CA-O 3.26Å; T95-E125 WeakPolarHBondContact CA-O 3.1Å; V96-E125 PolarHBondContact N-O 3Å; V96-E125 PolarHBondContact O-N 2.89Å; G123-E125 VanDerWaalsContact CA-N 3.25Å; E125-A129 HydrophobicContact CB-CB 4.43Å; E125-A129 VanDerWaalsContact OE2-CB 3.29Å; E125-A129 WeakPolarHBondContact OE2-CB 3.24Å; E125-V130 HydrophobicContact CB-CG2 3.54Å; E125-Q133 PolarHBondContact OE1-NE2 3.05Å |
| 126 | R | 95.8 | Very high | 96.6 | Very high | 168 Ų | 168 | 51.7 Ų | 51.7 | 63% | 0.634 | 26% | 0.258 | S | S | * | . | trans | -62.3 | 143.8 | 177 | -58.3 | -173.4 | -165.8 | 121.4 | 1.6 | 110.6 | S128 A129 V130 | R126-S128 PolarHBondContact O-N 3.06Å; R126-A129 PolarHBondContact O-N 3.32Å; R126-V130 PolarHBondContact O-N 2.95Å; R126-V130 VanDerWaalsContact O-N 3.09Å | ||
| 127 | P | 96.1 | Very high | 96.7 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.019 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -52.5 | -30.5 | 179.8 | -30 | 33.3 | 0 | 0 | 0 | 115.4 | L94 V96 L131 V182 V185 | L94-P127 WeakPolarHBondContact O-CD 3.49Å; V96-P127 HydrophobicContact CG1-CB 4.24Å; V96-P127 HydrophobicContact CG1-CG 4.01Å; P127-L131 WeakPolarHBondContact O-CB 3.4Å; P127-L131 PolarHBondContact O-N 3.49Å; P127-V182 HydrophobicContact CG-CG2 4.32Å; P127-V185 HydrophobicContact CB-CG2 3.74Å; P127-V185 WeakPolarHBondContact O-CG2 3.41Å |
| 128 | S | 95.3 | Very high | 96.8 | Very high | 14 Ų | 14 | 40.9 Ų | 40.9 | 10% | 0.098 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.3 | -45 | 173.1 | 50.5 | 0 | 0 | 0 | 0 | 113.7 | R126 Q132 V179 | R126-S128 PolarHBondContact O-N 3.06Å; S128-Q132 WeakPolarHBondContact O-CB 3.22Å; S128-Q132 PolarHBondContact O-N 3.07Å; S128-V179 PolarHBondContact N-O 3.11Å; S128-V179 VanDerWaalsContact N-O 3.15Å |
| 129 | A | 96.4 | Very high | 96.8 | Very high | 19 Ų | 19 | 39.7 Ų | 39.7 | 16% | 0.157 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71.7 | -43.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | E125 R126 L131 Q132 Q133 | E125-A129 HydrophobicContact CB-CB 4.43Å; E125-A129 VanDerWaalsContact OE2-CB 3.29Å; E125-A129 WeakPolarHBondContact OE2-CB 3.24Å; R126-A129 PolarHBondContact O-N 3.32Å; A129-L131 VanDerWaalsContact C-N 3.3Å; A129-L131 PolarHBondContact O-N 2.98Å; A129-Q132 WeakPolarHBondContact O-CB 3.34Å; A129-Q132 PolarHBondContact O-N 3.04Å; A129-Q132 VanDerWaalsContact O-N 3.09Å; A129-Q133 WeakPolarHBondContact O-CB 3.45Å; A129-Q133 VanDerWaalsContact O-CG 3.31Å; A129-Q133 WeakPolarHBondContact O-CG 3.08Å; A129-Q133 PolarHBondContact O-N 3.42Å |
| 130 | V | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.9 | -35.4 | 176.1 | 178.7 | 0 | 0 | 0 | 0 | 111.8 | V96 L98 F122 E125 R126 A134 | V96-V130 HydrophobicContact CG1-CB 3.97Å; V96-V130 HydrophobicContact CG1-CG1 4.16Å; V96-V130 HydrophobicContact CG1-CG2 3.91Å; L98-V130 HydrophobicContact CB-CG1 3.91Å; L98-V130 HydrophobicContact CD1-CG1 3.62Å; L98-V130 HydrophobicContact CG-CG1 3.55Å; F122-V130 HydrophobicContact CB-CG1 4.05Å; E125-V130 HydrophobicContact CB-CG2 3.54Å; R126-V130 PolarHBondContact O-N 2.95Å; R126-V130 VanDerWaalsContact O-N 3.09Å; V130-A134 WeakPolarHBondContact O-CB 3.25Å; V130-A134 PolarHBondContact O-N 3.23Å |
| 131 | L | 96.9 | Very high | 97 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.9 | -44.1 | 170.6 | 177.5 | 61.8 | 0 | 0 | 0 | 112.1 | P127 A129 A134 V135 V179 Y184 V185 F188 L189 | P127-L131 WeakPolarHBondContact O-CB 3.4Å; P127-L131 PolarHBondContact O-N 3.49Å; A129-L131 VanDerWaalsContact C-N 3.3Å; A129-L131 PolarHBondContact O-N 2.98Å; L131-A134 PolarHBondContact O-N 3.34Å; L131-V135 HydrophobicContact CD1-CG2 3.97Å; L131-V135 WeakPolarHBondContact O-CB 3.11Å; L131-V135 VanDerWaalsContact O-CG2 3.27Å; L131-V135 WeakPolarHBondContact O-CG2 3.49Å; L131-V135 PolarHBondContact O-N 2.9Å; L131-V179 HydrophobicContact CD2-CG2 3.92Å; L131-Y184 HydrophobicContact CD2-CD1 4.38Å; L131-Y184 HydrophobicContact CD2-CE1 4.06Å; L131-V185 HydrophobicContact CB-CG1 4.13Å; L131-V185 HydrophobicContact CB-CG2 4.09Å; L131-V185 HydrophobicContact CD1-CG1 4.22Å; L131-F188 HydrophobicContact CD1-CB 4.15Å; L131-F188 HydrophobicContact CD1-CD1 3.64Å; L131-F188 HydrophobicContact CD1-CE1 4.22Å; L131-F188 HydrophobicContact CD1-CG 3.94Å; L131-L189 HydrophobicContact CD1-CD2 4.08Å; L131-L189 HydrophobicContact CD1-CG 4.08Å |
| 132 | Q | 97.6 | Very high | 97 | Very high | 58 Ų | 58 | 31.5 Ų | 31.5 | 27% | 0.271 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -60.3 | -47.7 | 177.1 | -172.9 | -173.7 | 2.3 | 0 | 0 | 111.1 | S128 A129 V135 Q136 V161 S162 V163 | S128-Q132 WeakPolarHBondContact O-CB 3.22Å; S128-Q132 PolarHBondContact O-N 3.07Å; A129-Q132 WeakPolarHBondContact O-CB 3.34Å; A129-Q132 PolarHBondContact O-N 3.04Å; A129-Q132 VanDerWaalsContact O-N 3.09Å; Q132-V135 PolarHBondContact O-N 3.44Å; Q132-Q136 WeakPolarHBondContact O-CB 3.27Å; Q132-Q136 PolarHBondContact O-N 3.11Å; Q132-V161 HydrophobicContact CB-CG2 4.1Å; Q132-V161 HydrophobicContact CG-CB 4.42Å; Q132-V161 HydrophobicContact CG-CG2 4.26Å; Q132-S162 PolarHBondContact NE2-O 3.32Å; Q132-V163 HydrophobicContact CG-CG1 3.88Å |
| 133 | Q | 98.1 | Very high | 96.9 | Very high | 56 Ų | 56 | 35.4 Ų | 35.4 | 26% | 0.262 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -57.8 | -50 | 176.2 | -72.4 | 166 | -19.6 | 0 | 0 | 111.9 | F122 E125 A129 V135 Q136 A137 | F122-Q133 HydrophobicContact CB-CB 4.42Å; F122-Q133 HydrophobicContact CD1-CB 3.85Å; F122-Q133 HydrophobicContact CD1-CG 4.43Å; F122-Q133 HydrophobicContact CD2-CB 4.13Å; F122-Q133 HydrophobicContact CE1-CB 4.1Å; F122-Q133 HydrophobicContact CE2-CB 4.35Å; F122-Q133 HydrophobicContact CG-CB 3.88Å; F122-Q133 HydrophobicContact CZ-CB 4.36Å; E125-Q133 PolarHBondContact OE1-NE2 3.05Å; A129-Q133 WeakPolarHBondContact O-CB 3.45Å; A129-Q133 VanDerWaalsContact O-CG 3.31Å; A129-Q133 WeakPolarHBondContact O-CG 3.08Å; A129-Q133 PolarHBondContact O-N 3.42Å; Q133-V135 PolarHBondContact O-N 3.01Å; Q133-Q136 PolarHBondContact O-N 3.17Å; Q133-A137 WeakPolarHBondContact O-CB 3.42Å; Q133-A137 PolarHBondContact O-N 3.47Å |
| 134 | A | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.9 | -39.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L98 F122 V130 L131 C138 L189 F202 | L98-A134 HydrophobicContact CD1-CB 4.3Å; F122-A134 HydrophobicContact CD2-CB 4.14Å; F122-A134 HydrophobicContact CE2-CB 4.17Å; V130-A134 WeakPolarHBondContact O-CB 3.25Å; V130-A134 PolarHBondContact O-N 3.23Å; L131-A134 PolarHBondContact O-N 3.34Å; A134-C138 PolarHBondContact O-N 3.32Å; A134-C138 PolarHBondContact O-SG 3.01Å; A134-L189 HydrophobicContact CB-CD1 3.8Å; A134-L189 HydrophobicContact CB-CD2 3.79Å; A134-L189 HydrophobicContact CB-CG 4.47Å; A134-F202 HydrophobicContact CB-CD1 4.46Å; A134-F202 HydrophobicContact CB-CE1 3.99Å; A134-F202 HydrophobicContact CB-CE2 4.31Å; A134-F202 HydrophobicContact CB-CZ 3.91Å |
| 135 | V | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.1 | -40.2 | 176.7 | 175.5 | 0 | 0 | 0 | 0 | 111.6 | L131 Q132 Q133 C138 I139 V152 V163 L176 F188 L189 L192 | L131-V135 HydrophobicContact CD1-CG2 3.97Å; L131-V135 WeakPolarHBondContact O-CB 3.11Å; L131-V135 VanDerWaalsContact O-CG2 3.27Å; L131-V135 WeakPolarHBondContact O-CG2 3.49Å; L131-V135 PolarHBondContact O-N 2.9Å; Q132-V135 PolarHBondContact O-N 3.44Å; Q133-V135 PolarHBondContact O-N 3.01Å; V135-C138 PolarHBondContact O-N 3.31Å; V135-I139 HydrophobicContact CG1-CD1 4.15Å; V135-I139 WeakPolarHBondContact O-CG1 3.48Å; V135-I139 PolarHBondContact O-N 2.91Å; V135-I139 VanDerWaalsContact O-N 3.16Å; V135-V152 HydrophobicContact CG1-CG1 4Å; V135-V152 HydrophobicContact CG1-CG2 3.7Å; V135-V163 HydrophobicContact CB-CG1 4.26Å; V135-V163 HydrophobicContact CG1-CG1 4.12Å; V135-V163 HydrophobicContact CG1-CG2 4.11Å; V135-L176 HydrophobicContact CB-CD1 4.05Å; V135-L176 HydrophobicContact CG1-CD1 4.14Å; V135-L176 HydrophobicContact CG2-CD1 4.12Å; V135-F188 HydrophobicContact CG2-CD1 4.27Å; V135-F188 HydrophobicContact CG2-CE1 3.67Å; V135-L189 HydrophobicContact CG2-CD2 4.11Å; V135-L192 HydrophobicContact CB-CD2 4.5Å; V135-L192 HydrophobicContact CG1-CD2 4.34Å; V135-L192 HydrophobicContact CG2-CD2 3.97Å |
| 136 | Q | 98.2 | Very high | 97 | Very high | 36 Ų | 36 | 38.9 Ų | 38.9 | 17% | 0.168 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.3 | -46.2 | 176.2 | -171.6 | 58.1 | 55.7 | 0 | 0 | 110.9 | Q132 Q133 C138 I139 D140 V163 S164 | Q132-Q136 WeakPolarHBondContact O-CB 3.27Å; Q132-Q136 PolarHBondContact O-N 3.11Å; Q133-Q136 PolarHBondContact O-N 3.17Å; Q136-C138 VanDerWaalsContact C-N 3.3Å; Q136-C138 PolarHBondContact O-N 2.78Å; Q136-I139 WeakPolarHBondContact O-CA 2.92Å; Q136-I139 WeakPolarHBondContact O-CB 3.32Å; Q136-I139 PolarHBondContact O-N 3.02Å; Q136-D140 WeakPolarHBondContact CG-OD2 3.47Å; Q136-D140 PolarHBondContact NE2-OD1 2.7Å; Q136-D140 VanDerWaalsContact NE2-OD1 3.09Å; Q136-D140 PolarHBondContact NE2-OD2 2.94Å; Q136-D140 PolarHBondContact O-N 3.37Å; Q136-V163 HydrophobicContact CB-CG1 4.29Å; Q136-S164 PolarHBondContact NE2-O 3.21Å; Q136-S164 PolarHBondContact OE1-O 2.75Å |
| 137 | A | 98.1 | Very high | 97 | Very high | 10 Ų | 10 | 34.4 Ų | 34.4 | 8% | 0.083 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.9 | -37.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L118 F122 Q133 C141 | L118-A137 HydrophobicContact CD1-CB 4.28Å; L118-A137 HydrophobicContact CD2-CB 3.86Å; F122-A137 HydrophobicContact CE2-CB 4.11Å; F122-A137 HydrophobicContact CZ-CB 3.74Å; Q133-A137 WeakPolarHBondContact O-CB 3.42Å; Q133-A137 PolarHBondContact O-N 3.47Å; A137-C141 VanDerWaalsContact O-CB 3.24Å; A137-C141 WeakPolarHBondContact O-CB 3.28Å; A137-C141 PolarHBondContact O-N 3Å; A137-C141 PolarHBondContact O-SG 2.99Å |
| 138 | C | 97.8 | Very high | 97 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.2 | -35.9 | 172.3 | -67.7 | 0 | 0 | 0 | 0 | 113 | L110 A134 V135 Q136 A142 V148 L192 L196 | L110-C138 WeakPolarHBondContact CD2-O 3.3Å; A134-C138 PolarHBondContact O-N 3.32Å; A134-C138 PolarHBondContact O-SG 3.01Å; V135-C138 PolarHBondContact O-N 3.31Å; Q136-C138 VanDerWaalsContact C-N 3.3Å; Q136-C138 PolarHBondContact O-N 2.78Å; C138-A142 PolarHBondContact O-N 2.93Å; C138-V148 HydrophobicContact CB-CG1 4.48Å; C138-L192 HydrophobicContact CB-CD2 4.41Å; C138-L196 HydrophobicContact CB-CD1 4.13Å |
| 139 | I | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.9 | -45.7 | 176.5 | -65.8 | 158.3 | 0 | 0 | 0 | 110.1 | V135 Q136 C141 A142 Q145 V148 F149 V163 S164 A165 | V135-I139 HydrophobicContact CG1-CD1 4.15Å; V135-I139 WeakPolarHBondContact O-CG1 3.48Å; V135-I139 PolarHBondContact O-N 2.91Å; V135-I139 VanDerWaalsContact O-N 3.16Å; Q136-I139 WeakPolarHBondContact O-CA 2.92Å; Q136-I139 WeakPolarHBondContact O-CB 3.32Å; Q136-I139 PolarHBondContact O-N 3.02Å; I139-C141 PolarHBondContact O-N 3.2Å; I139-A142 WeakPolarHBondContact O-CB 3.32Å; I139-A142 PolarHBondContact O-N 2.82Å; I139-A142 VanDerWaalsContact O-N 3.09Å; I139-Q145 HydrophobicContact CG2-CB 4.24Å; I139-Q145 HydrophobicContact CG2-CG 4.36Å; I139-Q145 WeakPolarHBondContact O-CG 3.44Å; I139-Q145 PolarHBondContact O-NE2 3.35Å; I139-V148 HydrophobicContact CG1-CG1 4.1Å; I139-F149 HydrophobicContact CD1-CD2 4Å; I139-V163 HydrophobicContact CD1-CB 3.98Å; I139-V163 HydrophobicContact CD1-CG2 3.87Å; I139-S164 WeakPolarHBondContact CG2-O 3.11Å; I139-A165 HydrophobicContact CG2-CB 3.68Å |
| 140 | D | 97.4 | Very high | 97 | Very high | 75 Ų | 75 | 36.7 Ų | 36.7 | 40% | 0.401 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -69.9 | -34.4 | -176.9 | -63.3 | -32.8 | 0 | 0 | 0 | 112.5 | K114 Q136 A142 | K114-D140 WeakPolarHBondContact CD-O 3.3Å; Q136-D140 WeakPolarHBondContact CG-OD2 3.47Å; Q136-D140 PolarHBondContact NE2-OD1 2.7Å; Q136-D140 VanDerWaalsContact NE2-OD1 3.09Å; Q136-D140 PolarHBondContact NE2-OD2 2.94Å; Q136-D140 PolarHBondContact O-N 3.37Å; D140-A142 PolarHBondContact O-N 3.31Å |
| 141 | C | 97.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.027 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -8.8 | 171.4 | -67.1 | 0 | 0 | 0 | 0 | 114.1 | L110 E111 K114 V115 A137 I139 | L110-C141 HydrophobicContact CB-CB 4.37Å; L110-C141 HydrophobicContact CD2-CB 4.31Å; E111-C141 WeakPolarHBondContact CB-O 3.36Å; E111-C141 PolarHBondContact N-O 3.03Å; K114-C141 HydrophobicContact CB-CB 4.07Å; V115-C141 HydrophobicContact CG2-CB 4.04Å; A137-C141 VanDerWaalsContact O-CB 3.24Å; A137-C141 WeakPolarHBondContact O-CB 3.28Å; A137-C141 PolarHBondContact O-N 3Å; A137-C141 PolarHBondContact O-SG 2.99Å; I139-C141 PolarHBondContact O-N 3.2Å |
| 142 | A | 97.4 | Very high | 96.6 | Very high | 5 Ų | 5 | 40 Ų | 40 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -71.1 | 139.8 | -171 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y109 L110 C138 I139 D140 Q144 Q145 V148 | Y109-A142 CarbonylContact O-C 3.58Å; Y109-A142 VanDerWaalsContact O-CA 3.32Å; Y109-A142 WeakPolarHBondContact O-CA 3.38Å; L110-A142 HydrophobicContact CD2-CB 4.39Å; C138-A142 PolarHBondContact O-N 2.93Å; I139-A142 WeakPolarHBondContact O-CB 3.32Å; I139-A142 PolarHBondContact O-N 2.82Å; I139-A142 VanDerWaalsContact O-N 3.09Å; D140-A142 PolarHBondContact O-N 3.31Å; A142-Q144 PolarHBondContact O-N 3.16Å; A142-Q145 HydrophobicContact CB-CG 4.36Å; A142-V148 HydrophobicContact CB-CB 4.04Å; A142-V148 HydrophobicContact CB-CG2 3.49Å; A142-V148 VanDerWaalsContact CB-CG2 3.49Å |
| 143 | H | 96.1 | Very high | 95.9 | Very high | 107 Ų | 107 | 44.8 Ų | 44.8 | 50% | 0.495 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -63.2 | -32.4 | 164.7 | -64.4 | 126.8 | 0 | 0 | 0 | 111.7 | P108 Y109 L110 E111 | P108-H143 PolarHBondContact O-ND1 3.37Å; Y109-H143 PolarHBondContact O-N 3.1Å; L110-H143 VanDerWaalsContact C-CE1 3.48Å; L110-H143 PolarHBondContact O-CE1 2.78Å; E111-H143 WeakPolarHBondContact CA-NE2 3.41Å |
| 144 | Q | 95 | Very high | 95.2 | Very high | 120 Ų | 120 | 45.6 Ų | 45.6 | 56% | 0.561 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -139.3 | 85.8 | -179.8 | -67.3 | -175.3 | -11.1 | 0 | 0 | 109.7 | A142 K146 L147 V148 | A142-Q144 PolarHBondContact O-N 3.16Å; Q144-K146 PolarHBondContact O-N 3.3Å; Q144-K146 VanDerWaalsContact O-N 3.1Å; Q144-L147 HydrophobicContact CB-CB 4.48Å; Q144-L147 HydrophobicContact CB-CD1 4.43Å; Q144-L147 HydrophobicContact CB-CG 4.28Å; Q144-L147 PolarHBondContact O-N 3.07Å; Q144-V148 PolarHBondContact O-N 3.23Å |
| 145 | Q | 96.6 | Very high | 94.2 | Very high | 42 Ų | 42 | 46.3 Ų | 46.3 | 20% | 0.196 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -50.4 | -40.4 | -176.2 | -60.2 | -152.7 | -21.1 | 0 | 0 | 112.8 | I139 A142 L147 V148 F149 A165 S166 | I139-Q145 HydrophobicContact CG2-CB 4.24Å; I139-Q145 HydrophobicContact CG2-CG 4.36Å; I139-Q145 WeakPolarHBondContact O-CG 3.44Å; I139-Q145 PolarHBondContact O-NE2 3.35Å; A142-Q145 HydrophobicContact CB-CG 4.36Å; Q145-L147 VanDerWaalsContact C-N 3.29Å; Q145-L147 PolarHBondContact O-N 3.31Å; Q145-V148 PolarHBondContact O-N 3.29Å; Q145-F149 WeakPolarHBondContact O-CB 3.45Å; Q145-F149 PolarHBondContact O-N 2.87Å; Q145-A165 HydrophobicContact CB-CB 4.26Å; Q145-S166 PolarHBondContact OE1-O 2.94Å |
| 146 | K | 96.3 | Very high | 93.1 | Very high | 97 Ų | 97 | 56.2 Ų | 56.2 | 42% | 0.422 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -53.5 | -38.5 | 177.6 | -167.6 | 171.7 | -167.4 | 171.2 | 0 | 113.9 | Q144 S150 F167 D168 | Q144-K146 PolarHBondContact O-N 3.3Å; Q144-K146 VanDerWaalsContact O-N 3.1Å; K146-S150 WeakPolarHBondContact O-CB 3.37Å; K146-S150 PolarHBondContact O-N 3.05Å; K146-F167 HydrophobicContact CB-CB 4Å; K146-F167 HydrophobicContact CB-CD1 3.85Å; K146-F167 HydrophobicContact CB-CD2 4.05Å; K146-F167 HydrophobicContact CB-CE1 4.29Å; K146-F167 HydrophobicContact CB-CE2 4.47Å; K146-F167 HydrophobicContact CB-CG 3.71Å; K146-F167 HydrophobicContact CD-CB 4.46Å; K146-F167 HydrophobicContact CD-CD2 3.66Å; K146-F167 HydrophobicContact CD-CE2 4.06Å; K146-F167 HydrophobicContact CD-CG 4.14Å; K146-F167 HydrophobicContact CG-CB 4.49Å; K146-F167 HydrophobicContact CG-CD1 4.19Å; K146-F167 HydrophobicContact CG-CD2 3.66Å; K146-F167 HydrophobicContact CG-CE1 4.29Å; K146-F167 HydrophobicContact CG-CE2 3.77Å; K146-F167 HydrophobicContact CG-CG 3.88Å; K146-F167 HydrophobicContact CG-CZ 4.08Å; K146-D168 WeakPolarHBondContact CE-OD2 3.41Å; K146-D168 IonicContact NZ-OD1 2.75Å; K146-D168 PolarHBondContact NZ-OD1 3.35Å; K146-D168 IonicContact NZ-OD2 2.62Å; K146-D168 PolarHBondContact NZ-OD2 2.95Å |
| 147 | L | 94.9 | Very high | 91.9 | Very high | 73 Ų | 73 | 57.3 Ų | 57.3 | 38% | 0.382 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -73.5 | -52.4 | 176.6 | -68.2 | -170.1 | 0 | 0 | 0 | 111 | Y109 Q144 Q145 F149 S150 L151 | Y109-L147 HydrophobicContact CE1-CD1 4.19Å; Q144-L147 HydrophobicContact CB-CB 4.48Å; Q144-L147 HydrophobicContact CB-CD1 4.43Å; Q144-L147 HydrophobicContact CB-CG 4.28Å; Q144-L147 PolarHBondContact O-N 3.07Å; Q145-L147 VanDerWaalsContact C-N 3.29Å; Q145-L147 PolarHBondContact O-N 3.31Å; L147-F149 VanDerWaalsContact C-N 3.31Å; L147-F149 PolarHBondContact O-N 3.14Å; L147-S150 WeakPolarHBondContact O-CB 3.43Å; L147-S150 PolarHBondContact O-N 3.09Å; L147-S150 PolarHBondContact O-OG 3.12Å; L147-L151 PolarHBondContact O-N 2.88Å |
| 148 | V | 96.4 | Very high | 91 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.5 | -45 | -179.7 | 177 | 0 | 0 | 0 | 0 | 111.3 | C138 I139 A142 Q144 Q145 S150 L151 V152 L196 | C138-V148 HydrophobicContact CB-CG1 4.48Å; I139-V148 HydrophobicContact CG1-CG1 4.1Å; A142-V148 HydrophobicContact CB-CB 4.04Å; A142-V148 HydrophobicContact CB-CG2 3.49Å; A142-V148 VanDerWaalsContact CB-CG2 3.49Å; Q144-V148 PolarHBondContact O-N 3.23Å; Q145-V148 PolarHBondContact O-N 3.29Å; V148-S150 VanDerWaalsContact C-N 3.25Å; V148-S150 PolarHBondContact O-N 3.18Å; V148-L151 WeakPolarHBondContact O-CB 3.39Å; V148-L151 PolarHBondContact O-N 3.1Å; V148-L151 VanDerWaalsContact O-N 3.09Å; V148-V152 PolarHBondContact O-N 3.41Å; V148-L196 HydrophobicContact CB-CD2 4.25Å; V148-L196 HydrophobicContact CG1-CD1 4.31Å; V148-L196 HydrophobicContact CG1-CD2 4Å; V148-L196 HydrophobicContact CG2-CD2 3.66Å |
| 149 | F | 96.1 | Very high | 90.5 | Very high | 11 Ų | 11 | 67.3 Ų | 67.3 | 5% | 0.048 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.3 | -24.8 | 176.5 | -173.2 | -99 | 0 | 0 | 0 | 114 | I139 Q145 L147 A165 F167 H172 R174 | I139-F149 HydrophobicContact CD1-CD2 4Å; Q145-F149 WeakPolarHBondContact O-CB 3.45Å; Q145-F149 PolarHBondContact O-N 2.87Å; L147-F149 VanDerWaalsContact C-N 3.31Å; L147-F149 PolarHBondContact O-N 3.14Å; F149-A165 HydrophobicContact CB-CB 3.82Å; F149-A165 HydrophobicContact CD1-CB 4.29Å; F149-A165 HydrophobicContact CD2-CB 3.35Å; F149-A165 HydrophobicContact CE2-CB 3.85Å; F149-A165 HydrophobicContact CG-CB 3.58Å; F149-A165 HydrophobicContact CZ-CB 4.49Å; F149-F167 HydrophobicContact CB-CE1 4.34Å; F149-F167 AromaticContact CD1-CE1 3.67Å; F149-F167 HydrophobicContact CD1-CE1 3.67Å; F149-F167 HydrophobicContact CD1-CZ 4.02Å; F149-F167 HydrophobicContact CE1-CE1 4.16Å; F149-F167 HydrophobicContact CE1-CZ 4.3Å; F149-F167 HydrophobicContact CG-CE1 4.15Å; F149-H172 HydrophobicContact CD1-CB 4.45Å; F149-H172 HydrophobicContact CE1-CB 3.63Å; F149-H172 WeakPolarHBondContact CE2-O 3.13Å; F149-H172 VanDerWaalsContact CZ-C 3.43Å; F149-H172 HydrophobicContact CZ-CB 3.74Å; F149-H172 VanDerWaalsContact CZ-O 3.3Å; F149-H172 WeakPolarHBondContact CZ-O 3.41Å; F149-R174 HydrophobicContact CD1-CG 4.3Å; F149-R174 HydrophobicContact CD2-CG 4.26Å; F149-R174 HydrophobicContact CE1-CG 3.67Å; F149-R174 HydrophobicContact CE2-CB 3.71Å; F149-R174 HydrophobicContact CE2-CG 3.64Å; F149-R174 HydrophobicContact CZ-CB 3.76Å; F149-R174 HydrophobicContact CZ-CG 3.31Å |
| 150 | S | 94.4 | Very high | 90.2 | Very high | 74 Ų | 74 | 70.3 Ų | 70.3 | 52% | 0.517 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -78.8 | -26.8 | 173 | 77.7 | 0 | 0 | 0 | 0 | 113.4 | K146 L147 V148 V152 | K146-S150 WeakPolarHBondContact O-CB 3.37Å; K146-S150 PolarHBondContact O-N 3.05Å; L147-S150 WeakPolarHBondContact O-CB 3.43Å; L147-S150 PolarHBondContact O-N 3.09Å; L147-S150 PolarHBondContact O-OG 3.12Å; V148-S150 VanDerWaalsContact C-N 3.25Å; V148-S150 PolarHBondContact O-N 3.18Å; S150-V152 VanDerWaalsContact C-N 3.35Å |
| 151 | L | 92.4 | Very high | 90 | Very high | 68 Ų | 68 | 68.2 Ų | 68.2 | 36% | 0.356 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -73 | -30.1 | 172.2 | -62.4 | 171.9 | 0 | 0 | 0 | 111.4 | L147 V148 K153 L196 | L147-L151 PolarHBondContact O-N 2.88Å; V148-L151 WeakPolarHBondContact O-CB 3.39Å; V148-L151 PolarHBondContact O-N 3.1Å; V148-L151 VanDerWaalsContact O-N 3.09Å; L151-K153 PolarHBondContact O-N 3.47Å; L151-L196 HydrophobicContact CD1-CD2 3.69Å; L151-L196 HydrophobicContact CD1-CG 4.49Å |
| 152 | V | 93.1 | Very high | 89.8 | Confident | 2 Ų | 2 | 70.6 Ų | 70.6 | 1% | 0.012 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -67.8 | 99.6 | 172.6 | 179.4 | 0 | 0 | 0 | 0 | 110 | V135 V148 S150 V163 R174 L176 L192 | V135-V152 HydrophobicContact CG1-CG1 4Å; V135-V152 HydrophobicContact CG1-CG2 3.7Å; V148-V152 PolarHBondContact O-N 3.41Å; S150-V152 VanDerWaalsContact C-N 3.35Å; V152-V163 HydrophobicContact CG1-CG2 4.25Å; V152-R174 PolarHBondContact O-NE 2.78Å; V152-L176 HydrophobicContact CG1-CD2 3.75Å; V152-L192 HydrophobicContact CG2-CD1 4.27Å |
| 153 | K | 84.5 | Confident | 89.8 | Confident | 159 Ų | 159 | 70.4 Ų | 70.4 | 69% | 0.691 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -71.5 | 135.3 | 177.7 | -63.6 | -156.9 | 174.2 | -155.1 | 0 | 111 | L151 | L151-K153 PolarHBondContact O-N 3.47Š|
| 154 | Q | 82.7 | Confident | 89.8 | Confident | 73 Ų | 73 | 67 Ų | 67 | 34% | 0.341 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 137.4 | 175.5 | -167.9 | 161.2 | 4.9 | 0 | 0 | 111.2 | Y156 S175 | Q154-Y156 WeakPolarHBondContact O-CE2 3.46Å; Q154-S175 WeakPolarHBondContact CA-O 3.13Å; Q154-S175 PolarHBondContact NE2-OG 3.24Å |
| 155 | G | 76.8 | Confident | 90 | Very high | 14 Ų | 14 | 61.4 Ų | 61.4 | 14% | 0.144 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 155.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | M160 S175 | G155-M160 VanDerWaalsContact C-CE 3.47Å; G155-S175 PolarHBondContact N-O 3.07Å |
| 156 | Y | 74.9 | Confident | 90 | Very high | 208 Ų | 208 | 62.9 Ų | 62.9 | 82% | 0.816 | 36% | 0.356 | S | S | * | . | trans | -131.9 | 125.8 | 176.4 | -60.6 | -84.7 | 0 | 0 | 0 | 110 | Q154 | Q154-Y156 WeakPolarHBondContact O-CE2 3.46Š| ||
| 157 | G | 72.8 | Confident | 89.9 | Confident | 60 Ų | 60 | 59.9 Ų | 59.9 | 62% | 0.619 | 34% | 0.343 | S | S | * | . | S | Bend | trans | 80.3 | 148.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | M160 | G157-M160 WeakPolarHBondContact O-CE 3.42Š|
| 158 | G | 80.3 | Confident | 89.8 | Confident | 75 Ų | 75 | 61.6 Ų | 61.6 | 77% | 0.773 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 82.8 | -171.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 159 | E | 87.3 | Confident | 89.7 | Confident | 147 Ų | 147 | 65.4 Ų | 65.4 | 69% | 0.687 | 39% | 0.392 | S | S | * | . | trans | -68.8 | 145.9 | 171.2 | -168.2 | -168.7 | 158.1 | 0 | 0 | 110.2 | V178 | E159-V178 HydrophobicContact CB-CB 4.01Å; E159-V178 HydrophobicContact CB-CG2 3.97Å; E159-V178 HydrophobicContact CG-CB 4.3Å; E159-V178 HydrophobicContact CG-CG2 3.75Å; E159-V178 PolarHBondContact O-N 3Å | ||
| 160 | M | 91 | Very high | 89.7 | Confident | 62 Ų | 62 | 71.5 Ų | 71.5 | 31% | 0.305 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 137.7 | -172.4 | -66.9 | -75.2 | 171.4 | 0 | 0 | 111.3 | G155 G157 L176 P177 | G155-M160 VanDerWaalsContact C-CE 3.47Å; G157-M160 WeakPolarHBondContact O-CE 3.42Å; M160-L176 WeakPolarHBondContact CA-O 3.31Å; M160-L176 VanDerWaalsContact SD-O 3.41Å; M160-P177 HydrophobicContact SD-CB 4.48Å |
| 161 | V | 93 | Very high | 89.8 | Confident | 31 Ų | 31 | 75.5 Ų | 75.5 | 19% | 0.188 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 160.9 | 162.4 | -68.7 | 0 | 0 | 0 | 0 | 109.9 | Q132 S175 L176 V178 | Q132-V161 HydrophobicContact CB-CG2 4.1Å; Q132-V161 HydrophobicContact CG-CB 4.42Å; Q132-V161 HydrophobicContact CG-CG2 4.26Å; V161-S175 CarbonylContact O-C 3.49Å; V161-S175 WeakPolarHBondContact O-CA 3.39Å; V161-L176 HydrophobicContact CG2-CB 4.1Å; V161-L176 PolarHBondContact N-O 3.3Å; V161-L176 PolarHBondContact O-N 3.18Å; V161-V178 HydrophobicContact CG1-CG2 3.93Å |
| 162 | S | 94.4 | Very high | 90 | Very high | 55 Ų | 55 | 75.1 Ų | 75.1 | 39% | 0.385 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 136.9 | -174.1 | 47.9 | 0 | 0 | 0 | 0 | 112.8 | Q132 R174 | Q132-S162 PolarHBondContact NE2-O 3.32Å; S162-R174 WeakPolarHBondContact CA-O 2.99Å |
| 163 | V | 97.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 147.3 | 164.9 | -65 | 0 | 0 | 0 | 0 | 109.5 | Q132 V135 Q136 I139 V152 R174 L176 | Q132-V163 HydrophobicContact CG-CG1 3.88Å; V135-V163 HydrophobicContact CB-CG1 4.26Å; V135-V163 HydrophobicContact CG1-CG1 4.12Å; V135-V163 HydrophobicContact CG1-CG2 4.11Å; Q136-V163 HydrophobicContact CB-CG1 4.29Å; I139-V163 HydrophobicContact CD1-CB 3.98Å; I139-V163 HydrophobicContact CD1-CG2 3.87Å; V152-V163 HydrophobicContact CG1-CG2 4.25Å; V163-R174 HydrophobicContact CG2-CB 3.97Å; V163-R174 PolarHBondContact N-O 3.31Å; V163-R174 PolarHBondContact O-N 3.33Å; V163-L176 HydrophobicContact CG1-CD1 3.69Å; V163-L176 HydrophobicContact CG1-CG 4.43Å; V163-L176 HydrophobicContact CG2-CD1 4.29Å; V163-L176 HydrophobicContact CG2-CG 4.31Å |
| 164 | S | 96.8 | Very high | 90.5 | Very high | 37 Ų | 37 | 76.7 Ų | 76.7 | 26% | 0.259 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 152.8 | -176.5 | 64.6 | 0 | 0 | 0 | 0 | 112 | Q136 I139 H172 | Q136-S164 PolarHBondContact NE2-O 3.21Å; Q136-S164 PolarHBondContact OE1-O 2.75Å; I139-S164 WeakPolarHBondContact CG2-O 3.11Å; S164-H172 CarbonylContact C-O 3.52Å; S164-H172 VanDerWaalsContact CA-O 3.28Å; S164-H172 WeakPolarHBondContact CA-O 3.4Å |
| 165 | A | 97.4 | Very high | 91 | Very high | 2 Ų | 2 | 74.9 Ų | 74.9 | 2% | 0.017 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 147 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | I139 Q145 F149 F167 Q171 H172 | I139-A165 HydrophobicContact CG2-CB 3.68Å; Q145-A165 HydrophobicContact CB-CB 4.26Å; F149-A165 HydrophobicContact CB-CB 3.82Å; F149-A165 HydrophobicContact CD1-CB 4.29Å; F149-A165 HydrophobicContact CD2-CB 3.35Å; F149-A165 HydrophobicContact CE2-CB 3.85Å; F149-A165 HydrophobicContact CG-CB 3.58Å; F149-A165 HydrophobicContact CZ-CB 4.49Å; A165-F167 HydrophobicContact CB-CD1 3.9Å; A165-F167 HydrophobicContact CB-CE1 3.87Å; A165-Q171 CarbonylContact O-C 3.48Å; A165-Q171 WeakPolarHBondContact O-CA 3.4Å; A165-H172 PolarHBondContact N-O 3.25Å; A165-H172 PolarHBondContact O-N 2.99Å |
| 166 | S | 96.4 | Very high | 91.8 | Very high | 73 Ų | 73 | 74.2 Ų | 74.2 | 51% | 0.51 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 115.6 | 172.7 | -166.8 | 0 | 0 | 0 | 0 | 110 | Q145 K170 | Q145-S166 PolarHBondContact OE1-O 2.94Å; S166-K170 WeakPolarHBondContact CA-O 2.92Å |
| 167 | F | 95.6 | Very high | 92.6 | Very high | 33 Ų | 33 | 65.4 Ų | 65.4 | 15% | 0.145 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 162.1 | 172.9 | 56.5 | -98.5 | 0 | 0 | 0 | 110.8 | K146 F149 A165 G169 K170 H172 | K146-F167 HydrophobicContact CB-CB 4Å; K146-F167 HydrophobicContact CB-CD1 3.85Å; K146-F167 HydrophobicContact CB-CD2 4.05Å; K146-F167 HydrophobicContact CB-CE1 4.29Å; K146-F167 HydrophobicContact CB-CE2 4.47Å; K146-F167 HydrophobicContact CB-CG 3.71Å; K146-F167 HydrophobicContact CD-CB 4.46Å; K146-F167 HydrophobicContact CD-CD2 3.66Å; K146-F167 HydrophobicContact CD-CE2 4.06Å; K146-F167 HydrophobicContact CD-CG 4.14Å; K146-F167 HydrophobicContact CG-CB 4.49Å; K146-F167 HydrophobicContact CG-CD1 4.19Å; K146-F167 HydrophobicContact CG-CD2 3.66Å; K146-F167 HydrophobicContact CG-CE1 4.29Å; K146-F167 HydrophobicContact CG-CE2 3.77Å; K146-F167 HydrophobicContact CG-CG 3.88Å; K146-F167 HydrophobicContact CG-CZ 4.08Å; F149-F167 HydrophobicContact CB-CE1 4.34Å; F149-F167 AromaticContact CD1-CE1 3.67Å; F149-F167 HydrophobicContact CD1-CE1 3.67Å; F149-F167 HydrophobicContact CD1-CZ 4.02Å; F149-F167 HydrophobicContact CE1-CE1 4.16Å; F149-F167 HydrophobicContact CE1-CZ 4.3Å; F149-F167 HydrophobicContact CG-CE1 4.15Å; A165-F167 HydrophobicContact CB-CD1 3.9Å; A165-F167 HydrophobicContact CB-CE1 3.87Å; F167-G169 PolarHBondContact O-N 3.28Å; F167-K170 PolarHBondContact N-O 3.01Å; F167-K170 PolarHBondContact O-N 2.68Å; F167-H172 AromaticContact CD2-CD2 3.63Å; F167-H172 AromaticContact CD2-NE2 3.71Å; F167-H172 HydrophobicContact CE1-CB 3.81Å; F167-H172 AromaticContact CE1-CD2 3.76Å; F167-H172 AromaticContact CE1-CG 3.84Å; F167-H172 AromaticContact CE2-CD2 3.3Å; F167-H172 WeakPolarHBondContact CE2-CD2 3.44Å; F167-H172 AromaticContact CE2-CE1 3.77Å; F167-H172 AromaticContact CE2-CG 3.7Å; F167-H172 AromaticContact CE2-ND1 3.97Å; F167-H172 AromaticContact CE2-NE2 3.36Å; F167-H172 WeakPolarHBondContact CE2-NE2 3.49Å; F167-H172 HydrophobicContact CZ-CB 3.74Å; F167-H172 AromaticContact CZ-CD2 3.38Å; F167-H172 WeakPolarHBondContact CZ-CD2 3.48Å; F167-H172 AromaticContact CZ-CG 3.36Å; F167-H172 AromaticContact CZ-ND1 3.86Å; F167-H172 AromaticContact CZ-NE2 3.9Å |
| 168 | D | 93.3 | Very high | 93.5 | Very high | 109 Ų | 109 | 64.9 Ų | 64.9 | 58% | 0.583 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 27.9 | -175.4 | -50.7 | -12.4 | 0 | 0 | 0 | 113.8 | K146 K170 | K146-D168 WeakPolarHBondContact CE-OD2 3.41Å; K146-D168 IonicContact NZ-OD1 2.75Å; K146-D168 PolarHBondContact NZ-OD1 3.35Å; K146-D168 IonicContact NZ-OD2 2.62Å; K146-D168 PolarHBondContact NZ-OD2 2.95Å; D168-K170 VanDerWaalsContact C-N 3.33Å; D168-K170 PolarHBondContact O-N 2.86Å |
| 169 | G | 93.6 | Very high | 94.1 | Very high | 81 Ų | 81 | 62.2 Ų | 62.2 | 84% | 0.835 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 13.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | F167 | F167-G169 PolarHBondContact O-N 3.28Š|
| 170 | K | 95.5 | Very high | 94.4 | Very high | 139 Ų | 139 | 61.2 Ų | 61.2 | 60% | 0.604 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 150.3 | -173.9 | -65.1 | 176.2 | -175.2 | 174.6 | 0 | 111.6 | S166 F167 D168 H172 | S166-K170 WeakPolarHBondContact CA-O 2.92Å; F167-K170 PolarHBondContact N-O 3.01Å; F167-K170 PolarHBondContact O-N 2.68Å; D168-K170 VanDerWaalsContact C-N 3.33Å; D168-K170 PolarHBondContact O-N 2.86Å; K170-H172 PolarHBondContact O-CD2 2.95Å |
| 171 | Q | 96.6 | Very high | 94.5 | Very high | 157 Ų | 157 | 60.9 Ų | 60.9 | 73% | 0.734 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 134 | 164 | -72.9 | -165.3 | -4.7 | 0 | 0 | 110.6 | A165 | A165-Q171 CarbonylContact O-C 3.48Å; A165-Q171 WeakPolarHBondContact O-CA 3.4Å |
| 172 | H | 96.2 | Very high | 94.6 | Very high | 60 Ų | 60 | 61.8 Ų | 61.8 | 28% | 0.278 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 139.5 | 175 | -69 | -92.3 | 0 | 0 | 0 | 109 | F149 S164 A165 F167 K170 | F149-H172 HydrophobicContact CD1-CB 4.45Å; F149-H172 HydrophobicContact CE1-CB 3.63Å; F149-H172 WeakPolarHBondContact CE2-O 3.13Å; F149-H172 VanDerWaalsContact CZ-C 3.43Å; F149-H172 HydrophobicContact CZ-CB 3.74Å; F149-H172 VanDerWaalsContact CZ-O 3.3Å; F149-H172 WeakPolarHBondContact CZ-O 3.41Å; S164-H172 CarbonylContact C-O 3.52Å; S164-H172 VanDerWaalsContact CA-O 3.28Å; S164-H172 WeakPolarHBondContact CA-O 3.4Å; A165-H172 PolarHBondContact N-O 3.25Å; A165-H172 PolarHBondContact O-N 2.99Å; F167-H172 AromaticContact CD2-CD2 3.63Å; F167-H172 AromaticContact CD2-NE2 3.71Å; F167-H172 HydrophobicContact CE1-CB 3.81Å; F167-H172 AromaticContact CE1-CD2 3.76Å; F167-H172 AromaticContact CE1-CG 3.84Å; F167-H172 AromaticContact CE2-CD2 3.3Å; F167-H172 WeakPolarHBondContact CE2-CD2 3.44Å; F167-H172 AromaticContact CE2-CE1 3.77Å; F167-H172 AromaticContact CE2-CG 3.7Å; F167-H172 AromaticContact CE2-ND1 3.97Å; F167-H172 AromaticContact CE2-NE2 3.36Å; F167-H172 WeakPolarHBondContact CE2-NE2 3.49Å; F167-H172 HydrophobicContact CZ-CB 3.74Å; F167-H172 AromaticContact CZ-CD2 3.38Å; F167-H172 WeakPolarHBondContact CZ-CD2 3.48Å; F167-H172 AromaticContact CZ-CG 3.36Å; F167-H172 AromaticContact CZ-ND1 3.86Å; F167-H172 AromaticContact CZ-NE2 3.9Å; K170-H172 PolarHBondContact O-CD2 2.95Å |
| 173 | L | 95.8 | Very high | 94.6 | Very high | 118 Ų | 118 | 60.9 Ų | 60.9 | 62% | 0.618 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 136.2 | -173.3 | -155.5 | 73 | 0 | 0 | 0 | 111.7 | ||
| 174 | R | 93.5 | Very high | 94.5 | Very high | 76 Ų | 76 | 65.5 Ų | 65.5 | 29% | 0.287 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 129.3 | 178.5 | -92.7 | -75.8 | -167 | -122.1 | -10.8 | 110.9 | F149 V152 S162 V163 | F149-R174 HydrophobicContact CD1-CG 4.3Å; F149-R174 HydrophobicContact CD2-CG 4.26Å; F149-R174 HydrophobicContact CE1-CG 3.67Å; F149-R174 HydrophobicContact CE2-CB 3.71Å; F149-R174 HydrophobicContact CE2-CG 3.64Å; F149-R174 HydrophobicContact CZ-CB 3.76Å; F149-R174 HydrophobicContact CZ-CG 3.31Å; V152-R174 PolarHBondContact O-NE 2.78Å; S162-R174 WeakPolarHBondContact CA-O 2.99Å; V163-R174 HydrophobicContact CG2-CB 3.97Å; V163-R174 PolarHBondContact N-O 3.31Å; V163-R174 PolarHBondContact O-N 3.33Å |
| 175 | S | 93.3 | Very high | 94.4 | Very high | 36 Ų | 36 | 63.8 Ų | 63.8 | 25% | 0.252 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 126.8 | 174.9 | -35.7 | 0 | 0 | 0 | 0 | 111.1 | Q154 G155 V161 | Q154-S175 WeakPolarHBondContact CA-O 3.13Å; Q154-S175 PolarHBondContact NE2-OG 3.24Å; G155-S175 PolarHBondContact N-O 3.07Å; V161-S175 CarbonylContact O-C 3.49Å; V161-S175 WeakPolarHBondContact O-CA 3.39Å |
| 176 | L | 93.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 142.7 | 164.8 | -59.5 | 179.1 | 0 | 0 | 0 | 108.7 | V135 V152 M160 V161 V163 F188 | V135-L176 HydrophobicContact CB-CD1 4.05Å; V135-L176 HydrophobicContact CG1-CD1 4.14Å; V135-L176 HydrophobicContact CG2-CD1 4.12Å; V152-L176 HydrophobicContact CG1-CD2 3.75Å; M160-L176 WeakPolarHBondContact CA-O 3.31Å; M160-L176 VanDerWaalsContact SD-O 3.41Å; V161-L176 HydrophobicContact CG2-CB 4.1Å; V161-L176 PolarHBondContact N-O 3.3Å; V161-L176 PolarHBondContact O-N 3.18Å; V163-L176 HydrophobicContact CG1-CD1 3.69Å; V163-L176 HydrophobicContact CG1-CG 4.43Å; V163-L176 HydrophobicContact CG2-CD1 4.29Å; V163-L176 HydrophobicContact CG2-CG 4.31Å; L176-F188 HydrophobicContact CD2-CE2 4.44Å; L176-F188 HydrophobicContact CD2-CZ 3.93Å |
| 177 | P | 91.2 | Very high | 94.3 | Very high | 23 Ų | 23 | 69.5 Ų | 69.5 | 15% | 0.149 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 141.3 | 177.4 | 30 | -33.7 | 0 | 0 | 0 | 110.7 | M160 V179 | M160-P177 HydrophobicContact SD-CB 4.48Å; P177-V179 HydrophobicContact CB-CG1 4.46Å; P177-V179 HydrophobicContact CG-CG1 4.29Å; P177-V179 PolarHBondContact O-N 2.91Å |
| 178 | V | 92.2 | Very high | 94.3 | Very high | 48 Ų | 48 | 69.7 Ų | 69.7 | 29% | 0.291 | 37% | 0.373 | S | S | . | . | trans | -66.7 | 129.4 | 165.5 | 169.4 | 0 | 0 | 0 | 0 | 108.9 | E159 V161 | E159-V178 HydrophobicContact CB-CB 4.01Å; E159-V178 HydrophobicContact CB-CG2 3.97Å; E159-V178 HydrophobicContact CG-CB 4.3Å; E159-V178 HydrophobicContact CG-CG2 3.75Å; E159-V178 PolarHBondContact O-N 3Å; V161-V178 HydrophobicContact CG1-CG2 3.93Å | ||
| 179 | V | 92.6 | Very high | 94.4 | Very high | 19 Ų | 19 | 64.7 Ų | 64.7 | 12% | 0.115 | 35% | 0.347 | C | S | . | . | trans | -133 | 148.1 | -176.5 | -66.7 | 0 | 0 | 0 | 0 | 111.7 | S128 L131 P177 Y184 V185 | S128-V179 PolarHBondContact N-O 3.11Å; S128-V179 VanDerWaalsContact N-O 3.15Å; L131-V179 HydrophobicContact CD2-CG2 3.92Å; P177-V179 HydrophobicContact CB-CG1 4.46Å; P177-V179 HydrophobicContact CG-CG1 4.29Å; P177-V179 PolarHBondContact O-N 2.91Å; V179-Y184 HydrophobicContact CB-CD1 4.16Å; V179-Y184 HydrophobicContact CB-CG 4.5Å; V179-Y184 HydrophobicContact CG1-CD1 3.71Å; V179-Y184 HydrophobicContact CG1-CD2 4.42Å; V179-Y184 HydrophobicContact CG1-CE1 3.77Å; V179-Y184 HydrophobicContact CG1-CE2 4.45Å; V179-Y184 HydrophobicContact CG1-CG 4.07Å; V179-Y184 HydrophobicContact CG2-CD1 4.02Å; V179-Y184 HydrophobicContact CG2-CE1 4.46Å; V179-V185 HydrophobicContact CG2-CG2 4Å | ||
| 180 | N | 93.1 | Very high | 94.5 | Very high | 127 Ų | 127 | 63.9 Ų | 63.9 | 68% | 0.679 | 33% | 0.332 | S | S | * | . | trans | -115.8 | 7 | 179.7 | 62.2 | -8 | 0 | 0 | 0 | 112.9 | ||||
| 181 | S | 93.8 | Very high | 94.5 | Very high | 55 Ų | 55 | 63.6 Ų | 63.6 | 39% | 0.385 | 33% | 0.331 | S | S | . | . | trans | -114.6 | 116.9 | -174.5 | 177.6 | 0 | 0 | 0 | 0 | 111.8 | G183 Y184 V185 | S181-G183 PolarHBondContact O-N 3.38Å; S181-G183 PolarHBondContact OG-N 2.92Å; S181-Y184 WeakPolarHBondContact O-CB 3.21Å; S181-Y184 PolarHBondContact O-N 3.17Å; S181-Y184 PolarHBondContact OG-N 3.21Å; S181-V185 PolarHBondContact O-N 3.02Å; S181-V185 VanDerWaalsContact O-N 3.16Å | ||
| 182 | V | 94.7 | Very high | 94.4 | Very high | 49 Ų | 49 | 56.4 Ų | 56.4 | 30% | 0.297 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.7 | -38.8 | 172.4 | 178.5 | 0 | 0 | 0 | 0 | 111.4 | V96 P127 Y184 V185 L186 | V96-V182 HydrophobicContact CB-CG2 3.85Å; V96-V182 HydrophobicContact CG2-CB 4.44Å; V96-V182 HydrophobicContact CG2-CG1 3.86Å; V96-V182 HydrophobicContact CG2-CG2 3.77Å; P127-V182 HydrophobicContact CG-CG2 4.32Å; V182-Y184 VanDerWaalsContact C-N 3.3Å; V182-Y184 PolarHBondContact O-N 2.92Å; V182-V185 PolarHBondContact O-N 3.2Å; V182-L186 HydrophobicContact CG1-CD1 4Å; V182-L186 HydrophobicContact CG1-CG 4.39Å; V182-L186 WeakPolarHBondContact O-CG 3.13Å; V182-L186 PolarHBondContact O-N 2.63Å |
| 183 | G | 95.1 | Very high | 94.4 | Very high | 37 Ų | 37 | 53.8 Ų | 53.8 | 38% | 0.381 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.2 | -33.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S181 R187 | S181-G183 PolarHBondContact O-N 3.38Å; S181-G183 PolarHBondContact OG-N 2.92Å; G183-R187 WeakPolarHBondContact O-CB 3.26Å; G183-R187 WeakPolarHBondContact O-CG 3.36Å; G183-R187 PolarHBondContact O-N 2.84Å; G183-R187 VanDerWaalsContact O-N 3.14Å |
| 184 | Y | 94.4 | Very high | 94.4 | Very high | 96 Ų | 96 | 55.9 Ų | 55.9 | 38% | 0.376 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.4 | -49.5 | 170.7 | -178.3 | -77.8 | 0 | 0 | 0 | 111.1 | L131 V179 S181 V182 L186 R187 F188 | L131-Y184 HydrophobicContact CD2-CD1 4.38Å; L131-Y184 HydrophobicContact CD2-CE1 4.06Å; V179-Y184 HydrophobicContact CB-CD1 4.16Å; V179-Y184 HydrophobicContact CB-CG 4.5Å; V179-Y184 HydrophobicContact CG1-CD1 3.71Å; V179-Y184 HydrophobicContact CG1-CD2 4.42Å; V179-Y184 HydrophobicContact CG1-CE1 3.77Å; V179-Y184 HydrophobicContact CG1-CE2 4.45Å; V179-Y184 HydrophobicContact CG1-CG 4.07Å; V179-Y184 HydrophobicContact CG2-CD1 4.02Å; V179-Y184 HydrophobicContact CG2-CE1 4.46Å; S181-Y184 WeakPolarHBondContact O-CB 3.21Å; S181-Y184 PolarHBondContact O-N 3.17Å; S181-Y184 PolarHBondContact OG-N 3.21Å; V182-Y184 VanDerWaalsContact C-N 3.3Å; V182-Y184 PolarHBondContact O-N 2.92Å; Y184-L186 VanDerWaalsContact C-N 3.33Å; Y184-L186 PolarHBondContact O-N 3.47Å; Y184-R187 PolarHBondContact O-N 3.41Å; Y184-F188 HydrophobicContact CD1-CB 4.37Å; Y184-F188 HydrophobicContact CE1-CB 4.1Å; Y184-F188 AromaticContact CE1-CD2 3.86Å; Y184-F188 HydrophobicContact CE1-CD2 3.86Å; Y184-F188 HydrophobicContact CE1-CG 4.37Å; Y184-F188 WeakPolarHBondContact O-CB 3.35Å; Y184-F188 PolarHBondContact O-N 3.19Å |
| 185 | V | 95.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.4 | -48.2 | -177.9 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | L98 P127 L131 V179 S181 V182 F188 L189 | L98-V185 HydrophobicContact CD1-CG1 3.96Å; P127-V185 HydrophobicContact CB-CG2 3.74Å; P127-V185 WeakPolarHBondContact O-CG2 3.41Å; L131-V185 HydrophobicContact CB-CG1 4.13Å; L131-V185 HydrophobicContact CB-CG2 4.09Å; L131-V185 HydrophobicContact CD1-CG1 4.22Å; V179-V185 HydrophobicContact CG2-CG2 4Å; S181-V185 PolarHBondContact O-N 3.02Å; S181-V185 VanDerWaalsContact O-N 3.16Å; V182-V185 PolarHBondContact O-N 3.2Å; V185-F188 PolarHBondContact O-N 3.4Å; V185-L189 HydrophobicContact CG1-CD1 3.89Å; V185-L189 HydrophobicContact CG1-CG 4.48Å; V185-L189 WeakPolarHBondContact O-CG 3.33Å; V185-L189 PolarHBondContact O-N 3.07Å |
| 186 | L | 95.8 | Very high | 94.7 | Very high | 46 Ų | 46 | 53.1 Ų | 53.1 | 24% | 0.241 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 177.6 | -67.9 | 172 | 0 | 0 | 0 | 112.6 | L98 V182 Y184 F188 L189 A190 H204 | L98-L186 HydrophobicContact CD2-CD2 3.9Å; V182-L186 HydrophobicContact CG1-CD1 4Å; V182-L186 HydrophobicContact CG1-CG 4.39Å; V182-L186 WeakPolarHBondContact O-CG 3.13Å; V182-L186 PolarHBondContact O-N 2.63Å; Y184-L186 VanDerWaalsContact C-N 3.33Å; Y184-L186 PolarHBondContact O-N 3.47Å; L186-F188 VanDerWaalsContact C-N 3.31Å; L186-F188 PolarHBondContact O-N 3.11Å; L186-L189 PolarHBondContact O-N 2.81Å; L186-A190 VanDerWaalsContact O-CB 3.24Å; L186-A190 WeakPolarHBondContact O-CB 3.11Å; L186-A190 PolarHBondContact O-N 2.98Å; L186-H204 HydrophobicContact CD1-CB 4.08Å; L186-H204 WeakPolarHBondContact CD1-ND1 3.42Å; L186-H204 HydrophobicContact CD2-CB 4.14Å |
| 187 | R | 94.9 | Very high | 94.8 | Very high | 149 Ų | 149 | 57.6 Ų | 57.6 | 56% | 0.562 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -69 | -27 | 176.4 | -69.9 | 174.8 | 90.5 | 135.3 | 10.4 | 112.8 | G183 Y184 K191 D357 | G183-R187 WeakPolarHBondContact O-CB 3.26Å; G183-R187 WeakPolarHBondContact O-CG 3.36Å; G183-R187 PolarHBondContact O-N 2.84Å; G183-R187 VanDerWaalsContact O-N 3.14Å; Y184-R187 PolarHBondContact O-N 3.41Å; R187-K191 WeakPolarHBondContact O-CB 3.39Å; R187-D357 IonicContact CZ-OD2 2.71Å; R187-D357 VanDerWaalsContact CZ-OD2 3.24Å; R187-D357 PolarHBondContact NH1-O 2.96Å; R187-D357 IonicContact NH1-OD1 3.97Å; R187-D357 IonicContact NH1-OD2 2.66Å; R187-D357 PolarHBondContact NH1-OD2 2.78Å; R187-D357 IonicContact NH2-OD2 2.79Å; R187-D357 PolarHBondContact NH2-OD2 2.81Å |
| 188 | F | 95.3 | Very high | 94.9 | Very high | 38 Ų | 38 | 56.5 Ų | 56.5 | 17% | 0.167 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -72.7 | -52.8 | 172.2 | -171.3 | -73.1 | 0 | 0 | 0 | 110.6 | L131 V135 L176 Y184 V185 L186 K191 L192 | L131-F188 HydrophobicContact CD1-CB 4.15Å; L131-F188 HydrophobicContact CD1-CD1 3.64Å; L131-F188 HydrophobicContact CD1-CE1 4.22Å; L131-F188 HydrophobicContact CD1-CG 3.94Å; V135-F188 HydrophobicContact CG2-CD1 4.27Å; V135-F188 HydrophobicContact CG2-CE1 3.67Å; L176-F188 HydrophobicContact CD2-CE2 4.44Å; L176-F188 HydrophobicContact CD2-CZ 3.93Å; Y184-F188 HydrophobicContact CD1-CB 4.37Å; Y184-F188 HydrophobicContact CE1-CB 4.1Å; Y184-F188 AromaticContact CE1-CD2 3.86Å; Y184-F188 HydrophobicContact CE1-CD2 3.86Å; Y184-F188 HydrophobicContact CE1-CG 4.37Å; Y184-F188 WeakPolarHBondContact O-CB 3.35Å; Y184-F188 PolarHBondContact O-N 3.19Å; V185-F188 PolarHBondContact O-N 3.4Å; L186-F188 VanDerWaalsContact C-N 3.31Å; L186-F188 PolarHBondContact O-N 3.11Å; F188-K191 WeakPolarHBondContact O-CA 3.43Å; F188-K191 WeakPolarHBondContact O-CB 3.47Å; F188-K191 PolarHBondContact O-N 2.93Å; F188-K191 VanDerWaalsContact O-N 3.07Å; F188-L192 HydrophobicContact CE1-CD2 4.46Å; F188-L192 PolarHBondContact O-N 2.9Å |
| 189 | L | 96.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66 | -43.4 | -176.5 | -68.6 | 174.2 | 0 | 0 | 0 | 111.9 | L98 L131 A134 V135 V185 L186 K191 L192 C193 F202 | L98-L189 HydrophobicContact CD1-CD1 3.25Å; L131-L189 HydrophobicContact CD1-CD2 4.08Å; L131-L189 HydrophobicContact CD1-CG 4.08Å; A134-L189 HydrophobicContact CB-CD1 3.8Å; A134-L189 HydrophobicContact CB-CD2 3.79Å; A134-L189 HydrophobicContact CB-CG 4.47Å; V135-L189 HydrophobicContact CG2-CD2 4.11Å; V185-L189 HydrophobicContact CG1-CD1 3.89Å; V185-L189 HydrophobicContact CG1-CG 4.48Å; V185-L189 WeakPolarHBondContact O-CG 3.33Å; V185-L189 PolarHBondContact O-N 3.07Å; L186-L189 PolarHBondContact O-N 2.81Å; L189-K191 PolarHBondContact O-N 3.48Å; L189-K191 VanDerWaalsContact O-N 3.11Å; L189-L192 CarbonylContact O-C 3.43Å; L189-L192 PolarHBondContact O-N 2.99Å; L189-C193 WeakPolarHBondContact O-CB 3.37Å; L189-C193 PolarHBondContact O-N 3.46Å; L189-C193 PolarHBondContact O-SG 3.4Å; L189-C193 VanDerWaalsContact O-SG 3.37Å; L189-F202 HydrophobicContact CB-CD2 4.38Å; L189-F202 HydrophobicContact CD1-CB 4.47Å; L189-F202 HydrophobicContact CD1-CD2 4.27Å; L189-F202 HydrophobicContact CD1-CG 4.39Å; L189-F202 HydrophobicContact CD2-CD2 4.32Å; L189-F202 HydrophobicContact CD2-CE2 4.28Å |
| 190 | A | 95.4 | Very high | 94.9 | Very high | 64 Ų | 64 | 63 Ų | 63 | 53% | 0.529 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.1 | -26 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L186 R194 | L186-A190 VanDerWaalsContact O-CB 3.24Å; L186-A190 WeakPolarHBondContact O-CB 3.11Å; L186-A190 PolarHBondContact O-N 2.98Å; A190-R194 WeakPolarHBondContact O-CB 3.24Å; A190-R194 PolarHBondContact O-N 2.87Å |
| 191 | K | 95.3 | Very high | 95 | Very high | 133 Ų | 133 | 57.1 Ų | 57.1 | 58% | 0.578 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -80.7 | -36.4 | 173.1 | -176.2 | 176.4 | 178.6 | 177.2 | 0 | 112.6 | R187 F188 L189 S195 | R187-K191 WeakPolarHBondContact O-CB 3.39Å; F188-K191 WeakPolarHBondContact O-CA 3.43Å; F188-K191 WeakPolarHBondContact O-CB 3.47Å; F188-K191 PolarHBondContact O-N 2.93Å; F188-K191 VanDerWaalsContact O-N 3.07Å; L189-K191 PolarHBondContact O-N 3.48Å; L189-K191 VanDerWaalsContact O-N 3.11Å; K191-S195 PolarHBondContact O-N 3.37Å; K191-S195 PolarHBondContact O-OG 3.05Å |
| 192 | L | 95.4 | Very high | 95.1 | Very high | 6 Ų | 6 | 55.7 Ų | 55.7 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.5 | -52.6 | 174.2 | -178.3 | 58.6 | 0 | 0 | 0 | 110.9 | V135 C138 V152 F188 L189 R194 S195 L196 | V135-L192 HydrophobicContact CB-CD2 4.5Å; V135-L192 HydrophobicContact CG1-CD2 4.34Å; V135-L192 HydrophobicContact CG2-CD2 3.97Å; C138-L192 HydrophobicContact CB-CD2 4.41Å; V152-L192 HydrophobicContact CG2-CD1 4.27Å; F188-L192 HydrophobicContact CE1-CD2 4.46Å; F188-L192 PolarHBondContact O-N 2.9Å; L189-L192 CarbonylContact O-C 3.43Å; L189-L192 PolarHBondContact O-N 2.99Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 2.86Å; L192-S195 CarbonylContact O-C 3.57Å; L192-S195 WeakPolarHBondContact O-CA 3.45Å; L192-S195 VanDerWaalsContact O-CB 3.31Å; L192-S195 WeakPolarHBondContact O-CB 3.27Å; L192-S195 PolarHBondContact O-N 2.82Å; L192-L196 HydrophobicContact CD1-CD1 3.92Å; L192-L196 HydrophobicContact CD1-CG 4.19Å; L192-L196 HydrophobicContact CG-CD1 3.84Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CG 3.2Å; L192-L196 PolarHBondContact O-N 2.89Å |
| 193 | C | 96 | Very high | 95.1 | Very high | 5 Ų | 5 | 54.6 Ų | 54.6 | 3% | 0.034 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -50.8 | -48.8 | 176 | -71.4 | 0 | 0 | 0 | 0 | 112.4 | L189 S195 L196 L197 C198 | L189-C193 WeakPolarHBondContact O-CB 3.37Å; L189-C193 PolarHBondContact O-N 3.46Å; L189-C193 PolarHBondContact O-SG 3.4Å; L189-C193 VanDerWaalsContact O-SG 3.37Å; C193-S195 VanDerWaalsContact C-N 3.26Å; C193-S195 PolarHBondContact O-N 3.01Å; C193-L196 CarbonylContact O-C 3.6Å; C193-L196 WeakPolarHBondContact O-CA 3.47Å; C193-L196 PolarHBondContact O-N 2.91Å; C193-L197 PolarHBondContact O-N 2.85Å; C193-C198 VanDerWaalsContact CB-O 3.32Å; C193-C198 WeakPolarHBondContact CB-O 3.39Å; C193-C198 PolarHBondContact O-N 3.19Å |
| 194 | R | 95.8 | Very high | 95 | Very high | 161 Ų | 161 | 57 Ų | 57 | 61% | 0.608 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -69.9 | -19.1 | 176.8 | -167.8 | 165.9 | 61 | 106.3 | -0.7 | 114.3 | A190 L192 | A190-R194 WeakPolarHBondContact O-CB 3.24Å; A190-R194 PolarHBondContact O-N 2.87Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 2.86Å |
| 195 | S | 96.1 | Very high | 94.8 | Very high | 54 Ų | 54 | 57.6 Ų | 57.6 | 38% | 0.378 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -81.4 | -22.5 | 169.2 | -53.4 | 0 | 0 | 0 | 0 | 112.3 | K191 L192 C193 | K191-S195 PolarHBondContact O-N 3.37Å; K191-S195 PolarHBondContact O-OG 3.05Å; L192-S195 CarbonylContact O-C 3.57Å; L192-S195 WeakPolarHBondContact O-CA 3.45Å; L192-S195 VanDerWaalsContact O-CB 3.31Å; L192-S195 WeakPolarHBondContact O-CB 3.27Å; L192-S195 PolarHBondContact O-N 2.82Å; C193-S195 VanDerWaalsContact C-N 3.26Å; C193-S195 PolarHBondContact O-N 3.01Å |
| 196 | L | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -98.7 | -1 | 177.2 | -64.4 | 174.4 | 0 | 0 | 0 | 113.1 | Y109 L110 C138 V148 L151 L192 C193 C198 | Y109-L196 HydrophobicContact CD2-CB 4.47Å; Y109-L196 HydrophobicContact CD2-CD2 4.26Å; Y109-L196 WeakPolarHBondContact CD2-O 3.36Å; Y109-L196 HydrophobicContact CG-CD2 4.15Å; L110-L196 HydrophobicContact CD2-CD1 4.37Å; C138-L196 HydrophobicContact CB-CD1 4.13Å; V148-L196 HydrophobicContact CB-CD2 4.25Å; V148-L196 HydrophobicContact CG1-CD1 4.31Å; V148-L196 HydrophobicContact CG1-CD2 4Å; V148-L196 HydrophobicContact CG2-CD2 3.66Å; L151-L196 HydrophobicContact CD1-CD2 3.69Å; L151-L196 HydrophobicContact CD1-CG 4.49Å; L192-L196 HydrophobicContact CD1-CD1 3.92Å; L192-L196 HydrophobicContact CD1-CG 4.19Å; L192-L196 HydrophobicContact CG-CD1 3.84Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CG 3.2Å; L192-L196 PolarHBondContact O-N 2.89Å; C193-L196 CarbonylContact O-C 3.6Å; C193-L196 WeakPolarHBondContact O-CA 3.47Å; C193-L196 PolarHBondContact O-N 2.91Å; L196-C198 HydrophobicContact CB-CB 4.47Å; L196-C198 VanDerWaalsContact CB-SG 3.52Å; L196-C198 PolarHBondContact O-N 3.31Å |
| 197 | L | 95.8 | Very high | 93.8 | Very high | 95 Ų | 95 | 62.2 Ų | 62.2 | 50% | 0.497 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 34 | -173.7 | -50.3 | 175.3 | 0 | 0 | 0 | 112.9 | G107 P108 C193 | G107-L197 VanDerWaalsContact CA-O 3.29Å; G107-L197 WeakPolarHBondContact CA-O 3.43Å; P108-L197 HydrophobicContact CG-CD1 4.2Å; C193-L197 PolarHBondContact O-N 2.85Å |
| 198 | C | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.321 | C | S | . | . | trans | -120.6 | 58.2 | 179.8 | 71.2 | 0 | 0 | 0 | 0 | 111 | N105 A106 L110 C193 L196 L201 | N105-C198 WeakPolarHBondContact O-CA 3.32Å; N105-C198 WeakPolarHBondContact O-CB 3.37Å; A106-C198 WeakPolarHBondContact O-CB 3.3Å; L110-C198 HydrophobicContact CD1-CB 4.24Å; C193-C198 VanDerWaalsContact CB-O 3.32Å; C193-C198 WeakPolarHBondContact CB-O 3.39Å; C193-C198 PolarHBondContact O-N 3.19Å; L196-C198 HydrophobicContact CB-CB 4.47Å; L196-C198 VanDerWaalsContact CB-SG 3.52Å; L196-C198 PolarHBondContact O-N 3.31Å; C198-L201 WeakPolarHBondContact O-CB 3.31Å | ||
| 199 | D | 92.1 | Very high | 91.7 | Very high | 78 Ų | 78 | 70.8 Ų | 70.8 | 42% | 0.417 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 155 | 179 | -61.7 | -61.2 | 0 | 0 | 0 | 112 | L201 | D199-L201 PolarHBondContact O-N 3.08Å; D199-L201 VanDerWaalsContact O-N 3.07Å |
| 200 | D | 91.2 | Very high | 89.5 | Confident | 126 Ų | 126 | 73.7 Ų | 73.7 | 67% | 0.674 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 18.2 | -177.7 | -56 | -34.5 | 0 | 0 | 0 | 116.8 | N101 | N101-D200 WeakPolarHBondContact CB-O 3.34Å; N101-D200 PolarHBondContact ND2-O 3.29Å |
| 201 | L | 95.8 | Very high | 86.7 | Confident | 2 Ų | 2 | 76.5 Ų | 76.5 | 1% | 0.01 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -65.7 | -32 | 174 | 179 | 61.1 | 0 | 0 | 0 | 113.7 | I100 N101 A104 L110 V115 C198 D199 | I100-L201 WeakPolarHBondContact CA-O 3.47Å; I100-L201 HydrophobicContact CG2-CD1 4.17Å; N101-L201 PolarHBondContact N-O 3.03Å; A104-L201 HydrophobicContact CB-CB 4.35Å; A104-L201 HydrophobicContact CB-CD1 4.28Å; L110-L201 HydrophobicContact CD1-CD2 3.88Å; V115-L201 HydrophobicContact CG1-CD1 3.69Å; C198-L201 WeakPolarHBondContact O-CB 3.31Å; D199-L201 PolarHBondContact O-N 3.08Å; D199-L201 VanDerWaalsContact O-N 3.07Å |
| 202 | F | 96.8 | Very high | 84.2 | Confident | 25 Ų | 25 | 75.4 Ų | 75.4 | 11% | 0.11 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 140 | -178.2 | -59.4 | -68.9 | 0 | 0 | 0 | 112.1 | Y99 I100 F122 A134 L189 | Y99-F202 WeakPolarHBondContact O-CA 3.48Å; I100-F202 HydrophobicContact CD1-CE1 4.4Å; I100-F202 HydrophobicContact CG1-CD1 3.95Å; I100-F202 HydrophobicContact CG1-CE1 3.91Å; F122-F202 HydrophobicContact CE2-CE1 4.12Å; A134-F202 HydrophobicContact CB-CD1 4.46Å; A134-F202 HydrophobicContact CB-CE1 3.99Å; A134-F202 HydrophobicContact CB-CE2 4.31Å; A134-F202 HydrophobicContact CB-CZ 3.91Å; L189-F202 HydrophobicContact CB-CD2 4.38Å; L189-F202 HydrophobicContact CD1-CB 4.47Å; L189-F202 HydrophobicContact CD1-CD2 4.27Å; L189-F202 HydrophobicContact CD1-CG 4.39Å; L189-F202 HydrophobicContact CD2-CD2 4.32Å; L189-F202 HydrophobicContact CD2-CE2 4.28Å |
| 203 | S | 94.1 | Very high | 81.8 | Confident | 27 Ų | 27 | 79.6 Ų | 79.6 | 19% | 0.189 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 149.8 | 174.8 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | L98 Y99 Q205 | L98-S203 CarbonylContact C-O 3.32Å; L98-S203 VanDerWaalsContact CA-O 3.32Å; L98-S203 WeakPolarHBondContact CA-O 3.37Å; Y99-S203 PolarHBondContact N-O 3.37Å; Y99-S203 PolarHBondContact O-N 3.31Å; S203-Q205 VanDerWaalsContact C-N 3.31Å; S203-Q205 VanDerWaalsContact CB-O 3.3Å; S203-Q205 WeakPolarHBondContact CB-O 3.43Å; S203-Q205 PolarHBondContact OG-N 2.78Å; S203-Q205 PolarHBondContact OG-O 3.41Å |
| 204 | H | 92.8 | Very high | 79.4 | Confident | 86 Ų | 86 | 84.8 Ų | 84.8 | 40% | 0.398 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -85.1 | -7.5 | 168.5 | 69.8 | -74.3 | 0 | 0 | 0 | 113 | L98 L186 | L98-H204 HydrophobicContact CD2-CB 4.26Å; L186-H204 HydrophobicContact CD1-CB 4.08Å; L186-H204 WeakPolarHBondContact CD1-ND1 3.42Å; L186-H204 HydrophobicContact CD2-CB 4.14Å |
| 205 | Q | 90.9 | Very high | 76.7 | Confident | 110 Ų | 110 | 86.1 Ų | 86.1 | 51% | 0.514 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -107.9 | 143.3 | 173.1 | -60.7 | -61.1 | -25.1 | 0 | 0 | 109.4 | Y99 S203 F207 | Y99-Q205 WeakPolarHBondContact CD2-O 3.36Å; S203-Q205 VanDerWaalsContact C-N 3.31Å; S203-Q205 VanDerWaalsContact CB-O 3.3Å; S203-Q205 WeakPolarHBondContact CB-O 3.43Å; S203-Q205 PolarHBondContact OG-N 2.78Å; S203-Q205 PolarHBondContact OG-O 3.41Å; Q205-F207 PolarHBondContact O-N 3.05Å |
| 206 | P | 88.8 | Confident | 73.8 | Confident | 74 Ų | 74 | 93.2 Ų | 93.2 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 137.6 | 174.5 | 26.8 | -34.2 | 0 | 0 | 0 | 110.4 | Y99 | Y99-P206 HydrophobicContact CD1-CB 4.1Å; Y99-P206 HydrophobicContact CD2-CB 4.31Å; Y99-P206 HydrophobicContact CE1-CB 3.96Å; Y99-P206 HydrophobicContact CE2-CB 4.17Å; Y99-P206 HydrophobicContact CG-CB 4.28Å |
| 207 | F | 81.7 | Confident | 70.9 | Confident | 70 Ų | 70 | 99 Ų | 99 | 31% | 0.307 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -69.2 | 134 | 173 | -65.8 | -77.6 | 0 | 0 | 0 | 109.6 | N101 Q205 R209 | N101-F207 HydrophobicContact CB-CD1 4.4Å; N101-F207 HydrophobicContact CB-CD2 4.13Å; N101-F207 HydrophobicContact CB-CE1 3.95Å; N101-F207 HydrophobicContact CB-CE2 3.66Å; N101-F207 HydrophobicContact CB-CG 4.49Å; N101-F207 HydrophobicContact CB-CZ 3.56Å; Q205-F207 PolarHBondContact O-N 3.05Å; F207-R209 PolarHBondContact O-N 3.25Å |
| 208 | P | 75.8 | Confident | 67.8 | Low | 123 Ų | 123 | 102.7 Ų | 102.7 | 80% | 0.799 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 124.3 | 171.2 | -23 | 33.4 | 0 | 0 | 0 | 109.3 | G210 | P208-G210 VanDerWaalsContact C-N 3.34Å; P208-G210 PolarHBondContact O-N 3.25Å |
| 209 | R | 69.2 | Low | 64.9 | Low | 244 Ų | 244 | 111.5 Ų | 111.5 | 92% | 0.921 | 61% | 0.611 | S | S | * | * | trans | -66.1 | 94.2 | 174.8 | -76.2 | -173.5 | 176.4 | -179.3 | -1.6 | 109.2 | F207 C211 | F207-R209 PolarHBondContact O-N 3.25Å; R209-C211 PolarHBondContact O-N 2.96Å | ||
| 210 | G | 51 | Low | 62 | Low | 64 Ų | 64 | 116.9 Ų | 116.9 | 66% | 0.66 | 63% | 0.631 | S | S | * | * | trans | -56.1 | 126.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | P208 S212 | P208-G210 VanDerWaalsContact C-N 3.34Å; P208-G210 PolarHBondContact O-N 3.25Å; G210-S212 PolarHBondContact O-N 2.9Å | ||
| 211 | C | 36.8 | Very low | 59.2 | Low | 123 Ų | 123 | 119.7 Ų | 119.7 | 83% | 0.831 | 64% | 0.64 | S | S | * | * | trans | -71.9 | 89.6 | -170.7 | -169.9 | 0 | 0 | 0 | 0 | 111.4 | R209 A213 | R209-C211 PolarHBondContact O-N 2.96Å; C211-A213 VanDerWaalsContact C-N 3.32Å; C211-A213 PolarHBondContact O-N 3.19Å | ||
| 212 | S | 41.7 | Very low | 56.2 | Low | 110 Ų | 110 | 128 Ų | 128 | 77% | 0.769 | 68% | 0.679 | S | S | * | * | trans | -74.2 | 86.9 | 165 | 55.9 | 0 | 0 | 0 | 0 | 109.1 | G210 S214 | G210-S212 PolarHBondContact O-N 2.9Å; S212-S214 PolarHBondContact O-N 2.87Å | ||
| 213 | A | 45.9 | Very low | 53 | Low | 95 Ų | 95 | 130.7 Ų | 130.7 | 79% | 0.785 | 71% | 0.713 | S | S | * | * | trans | -66.2 | 100.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | C211 | C211-A213 VanDerWaalsContact C-N 3.32Å; C211-A213 PolarHBondContact O-N 3.19Å | ||
| 214 | S | 45.3 | Very low | 50 | Low | 114 Ų | 114 | 139.6 Ų | 139.6 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | -157.9 | 35 | 164.2 | -166.4 | 0 | 0 | 0 | 0 | 114.5 | S212 | S212-S214 PolarHBondContact O-N 2.87Š| ||
| 215 | E | 39.3 | Very low | 47 | Very low | 189 Ų | 189 | 144 Ų | 144 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | trans | -120.3 | 65.9 | 162 | -74.9 | -169.1 | 123.8 | 0 | 0 | 110.4 | ||||
| 216 | K | 34.2 | Very low | 44.1 | Very low | 202 Ų | 202 | 147.1 Ų | 147.1 | 88% | 0.878 | 78% | 0.78 | S | S | * | * | trans | -91.7 | 91.1 | 147.9 | -82.2 | -161.1 | 171.2 | -168.3 | 0 | 107.7 | Q218 | K216-Q218 VanDerWaalsContact C-N 3.3Å; K216-Q218 PolarHBondContact O-N 2.93Å | ||
| 217 | V | 34.4 | Very low | 41.3 | Very low | 123 Ų | 123 | 148.5 Ų | 148.5 | 75% | 0.745 | 79% | 0.791 | S | S | * | * | trans | -60.9 | 102.8 | 155.2 | 174.3 | 0 | 0 | 0 | 0 | 105.8 | E219 | V217-E219 PolarHBondContact O-N 3.5Š| ||
| 218 | Q | 32.6 | Very low | 38.9 | Very low | 172 Ų | 172 | 149.7 Ų | 149.7 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -85.9 | 90.9 | 175.1 | -172 | 168.8 | 7 | 0 | 0 | 107.3 | K216 K220 | K216-Q218 VanDerWaalsContact C-N 3.3Å; K216-Q218 PolarHBondContact O-N 2.93Å; Q218-K220 PolarHBondContact O-N 3.02Å | ||
| 219 | E | 33 | Very low | 36.8 | Very low | 185 Ų | 185 | 153.4 Ų | 153.4 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | trans | -54.8 | 107.6 | 162.4 | -72.8 | -176.2 | 115.5 | 0 | 0 | 107.5 | V217 | V217-E219 PolarHBondContact O-N 3.5Š| ||
| 220 | K | 30.8 | Very low | 35 | Very low | 191 Ų | 191 | 148.1 Ų | 148.1 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | trans | -100 | 103 | 177.6 | -174.3 | 179.3 | 176.8 | -176.4 | 0 | 108.1 | Q218 | Q218-K220 PolarHBondContact O-N 3.02Š| ||
| 221 | E | 33.3 | Very low | 33.9 | Very low | 184 Ų | 184 | 151 Ų | 151 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -50.2 | 139.4 | 172.4 | -166.1 | 174 | -175.5 | 0 | 0 | 111.7 | G223 | E221-G223 PolarHBondContact O-N 3.34Š| ||
| 222 | E | 31.3 | Very low | 33.5 | Very low | 178 Ų | 178 | 151.2 Ų | 151.2 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -81.9 | 85 | -171.3 | -167.4 | 179.6 | 165.4 | 0 | 0 | 112.1 | ||||
| 223 | G | 29.5 | Very low | 32.9 | Very low | 80 Ų | 80 | 151.1 Ų | 151.1 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -102.7 | 97.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E221 | E221-G223 PolarHBondContact O-N 3.34Š| ||
| 224 | R | 32 | Very low | 32.2 | Very low | 215 Ų | 215 | 154.9 Ų | 154.9 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | trans | -100 | 116 | -173.5 | 171.7 | -174.3 | 169.5 | 177.8 | -3.3 | 113.5 | ||||
| 225 | M | 30.4 | Very low | 31.4 | Very low | 178 Ų | 178 | 156.8 Ų | 156.8 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | -162.1 | 102.4 | 152.5 | -96.1 | 148.3 | -161.2 | 0 | 0 | 106.5 | ||||
| 226 | E | 28.8 | Very low | 30.9 | Very low | 176 Ų | 176 | 156.1 Ų | 156.1 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | 74 | 107.7 | 90.9 | -169.3 | -174.2 | 159.6 | 0 | 0 | 114.2 | |||||
| 227 | S | 29.9 | Very low | 30.8 | Very low | 102 Ų | 102 | 153 Ų | 153 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | 178.8 | 172.7 | 101.1 | -156.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 228 | A | 31.4 | Very low | 30.6 | Very low | 96 Ų | 96 | 153 Ų | 153 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | 57.3 | 126.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 229 | K | 32.6 | Very low | 30.6 | Very low | 201 Ų | 201 | 152 Ų | 152 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -122.6 | 133.8 | 160.7 | -70.4 | 176.5 | 177.5 | 176.5 | 0 | 109.8 | ||||
| 230 | T | 30.5 | Very low | 31.4 | Very low | 133 Ų | 133 | 148.3 Ų | 148.3 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | trans | -159.2 | 131 | 154.3 | 23.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 231 | V | 27.5 | Very low | 31.4 | Very low | 125 Ų | 125 | 145.9 Ų | 145.9 | 76% | 0.758 | 78% | 0.784 | S | S | * | * | cis | 87.1 | 139.6 | 35.7 | -179.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 232 | T | 29.8 | Very low | 31.3 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | trans | 71.9 | 140 | -165.2 | 69.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 233 | T | 29.4 | Very low | 31.3 | Very low | 108 Ų | 108 | 141 Ų | 141 | 66% | 0.663 | 78% | 0.781 | S | S | * | * | cis | 123 | 109.8 | -4.6 | -69 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 234 | E | 30.6 | Very low | 31.5 | Very low | 173 Ų | 173 | 144.3 Ų | 144.3 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | trans | 60.5 | 164.4 | 153.3 | -66.8 | 169.2 | -166.3 | 0 | 0 | 117.6 | ||||
| 235 | E | 28.7 | Very low | 31.7 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | cis | -153.6 | -175 | -22.3 | -126 | -156.4 | 147.3 | 0 | 0 | 110.3 | ||||
| 236 | Y | 27.8 | Very low | 31.9 | Very low | 176 Ų | 176 | 144 Ų | 144 | 69% | 0.69 | 77% | 0.769 | S | S | * | * | trans | 71.9 | 100.5 | 148.7 | -106 | -110.5 | 0 | 0 | 0 | 123.5 | ||||
| 237 | L | 33.4 | Very low | 32.2 | Very low | 137 Ų | 137 | 139 Ų | 139 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | 63.1 | 160.4 | 109.2 | -127.6 | 138.6 | 0 | 0 | 0 | 122.9 | |||||
| 238 | V | 28.4 | Very low | 32.3 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 75% | 0.745 | 78% | 0.777 | S | S | * | * | trans | 97.3 | 99.7 | 163.3 | -169 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 239 | N | 34.5 | Very low | 32.5 | Very low | 151 Ų | 151 | 145.5 Ų | 145.5 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | trans | -82.7 | 166.2 | 144.7 | -81.1 | -57 | 0 | 0 | 0 | 108.7 | ||||
| 240 | P | 47.8 | Very low | 33.7 | Very low | 106 Ų | 106 | 141 Ų | 141 | 69% | 0.688 | 77% | 0.766 | S | S | * | * | cis | -156.9 | -165.7 | 35.1 | 47.6 | -26.2 | 0 | 0 | 0 | 117.5 | ||||
| 241 | V | 31.6 | Very low | 34.1 | Very low | 141 Ų | 141 | 139.9 Ų | 139.9 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | trans | 58.4 | 139.9 | 157.4 | 178.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 242 | G | 31.3 | Very low | 34.4 | Very low | 65 Ų | 65 | 138.7 Ų | 138.7 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | cis | 126.4 | 125.9 | -0.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 243 | M | 32.2 | Very low | 34.6 | Very low | 195 Ų | 195 | 137.9 Ų | 137.9 | 96% | 0.961 | 77% | 0.767 | S | S | * | * | trans | -155.9 | 168.6 | 167.5 | -115.3 | 170.9 | 73.1 | 0 | 0 | 112.7 | ||||
| 244 | N | 33.3 | Very low | 34.7 | Very low | 149 Ų | 149 | 138.5 Ų | 138.5 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -148.1 | -172.3 | -148.9 | -159.3 | -1.7 | 0 | 0 | 0 | 113.3 | ||||
| 245 | R | 35.9 | Very low | 34.7 | Very low | 185 Ų | 185 | 139.1 Ų | 139.1 | 70% | 0.698 | 77% | 0.771 | S | S | * | * | trans | 91.9 | 142.2 | 168.9 | -47.7 | 176.8 | -158 | -172.6 | 4.6 | 115.5 | ||||
| 246 | Y | 35.1 | Very low | 35 | Very low | 200 Ų | 200 | 136.7 Ų | 136.7 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | cis | -139 | 168.2 | -0.8 | -56.7 | -94.2 | 0 | 0 | 0 | 109.2 | ||||
| 247 | G | 33.8 | Very low | 35.3 | Very low | 72 Ų | 72 | 136.6 Ų | 136.6 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | cis | 129.3 | 71.6 | -10.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 248 | M | 32.7 | Very low | 35.3 | Very low | 192 Ų | 192 | 142.2 Ų | 142.2 | 95% | 0.946 | 78% | 0.78 | S | S | * | * | trans | -157.4 | 145 | 168.2 | -158.2 | 69.5 | 159.8 | 0 | 0 | 112.4 | ||||
| 249 | D | 36.7 | Very low | 35.2 | Very low | 142 Ų | 142 | 139.4 Ų | 139.4 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | -156.5 | 158.6 | 178.9 | -161.9 | 15.7 | 0 | 0 | 0 | 106.8 | ||||
| 250 | P | 55.8 | Low | 34.9 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 69% | 0.688 | 78% | 0.781 | S | S | * | * | -157.4 | 176.1 | 78.1 | 42.2 | -21.3 | 0 | 0 | 0 | 118.6 | |||||
| 251 | S | 38.8 | Very low | 34.4 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | 79.3 | 132.9 | 152.2 | 78 | 0 | 0 | 0 | 0 | 118 | ||||
| 252 | A | 34.6 | Very low | 35.9 | Very low | 100 Ų | 100 | 139.8 Ų | 139.8 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | cis | -158.6 | -174.7 | -8.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 253 | S | 33.3 | Very low | 36.4 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | cis | -157.1 | -168.4 | 12.3 | 72.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 254 | T | 33.3 | Very low | 36.5 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | trans | -74.1 | 170.1 | 177.2 | 48.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 255 | F | 30.7 | Very low | 36.3 | Very low | 186 Ų | 186 | 137.3 Ų | 137.3 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | cis | -150.4 | -157.2 | 18.3 | -158.1 | -115 | 0 | 0 | 0 | 113.7 | ||||
| 256 | N | 34.8 | Very low | 36.1 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 56% | 0.556 | 78% | 0.784 | S | S | * | * | trans | -105.6 | 156.7 | -149.4 | -75 | -80.2 | 0 | 0 | 0 | 119.8 | ||||
| 257 | H | 32.7 | Very low | 35.9 | Very low | 174 Ų | 174 | 130.7 Ų | 130.7 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | trans | -4.8 | 145.2 | 155.4 | -54.9 | -75.1 | 0 | 0 | 0 | 123.7 | ||||
| 258 | R | 33.3 | Very low | 35.6 | Very low | 254 Ų | 254 | 134.9 Ų | 134.9 | 96% | 0.958 | 78% | 0.778 | S | S | * | * | 122.2 | 117.3 | 118.6 | -159.4 | -177.9 | -143.7 | -133.7 | 6.3 | 117.8 | |||||
| 259 | G | 27.7 | Very low | 35.5 | Very low | 65 Ų | 65 | 131.2 Ų | 131.2 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | trans | 129.3 | 139.6 | 139.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 260 | S | 27.7 | Very low | 34.9 | Very low | 129 Ų | 129 | 131.1 Ų | 131.1 | 90% | 0.902 | 76% | 0.762 | S | S | * | * | trans | 71.7 | 147 | 149.8 | -58.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 261 | L | 36.5 | Very low | 33.7 | Very low | 164 Ų | 164 | 135.3 Ų | 135.3 | 86% | 0.859 | 76% | 0.764 | S | S | * | * | trans | -100.7 | 179.7 | 163.3 | -59.9 | 161.1 | 0 | 0 | 0 | 108.8 | ||||
| 262 | P | 64.3 | Low | 33.3 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | cis | -112.4 | -161.5 | -49.8 | 34.8 | -18.1 | 0 | 0 | 0 | 109.5 | ||||
| 263 | P | 41 | Very low | 33.2 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | -151.2 | 175.3 | 100.1 | 39.7 | -22.8 | 0 | 0 | 0 | 115.7 | |||||
| 264 | S | 33.7 | Very low | 33.2 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | trans | -90.7 | 144.3 | 171.9 | -51.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 265 | S | 30.6 | Very low | 33.4 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | 165.4 | 142.9 | 117.4 | 51.8 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 266 | S | 30.7 | Very low | 33.4 | Very low | 102 Ų | 102 | 135.6 Ų | 135.6 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | trans | 29 | 129.1 | 142.5 | -156.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 267 | L | 31.6 | Very low | 33.5 | Very low | 145 Ų | 145 | 135.6 Ų | 135.6 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | 178.1 | 146.9 | 100.2 | -92.5 | 172.7 | 0 | 0 | 0 | 113.9 | |||||
| 268 | Y | 27.6 | Very low | 33.4 | Very low | 160 Ų | 160 | 135.4 Ų | 135.4 | 63% | 0.627 | 77% | 0.768 | S | S | * | * | trans | 63.7 | 153.3 | 165.7 | -87.8 | -120.2 | 0 | 0 | 0 | 117.3 | K270 | Y268-K270 HydrophobicContact CD1-CB 4.05Å; Y268-K270 HydrophobicContact CD1-CD 4.09Å; Y268-K270 HydrophobicContact CE1-CB 4.08Å; Y268-K270 HydrophobicContact CE1-CD 3.26Å; Y268-K270 HydrophobicContact CE1-CG 4.3Å; Y268-K270 PolarHBondContact OH-NZ 2.8Å | ||
| 269 | C | 29.6 | Very low | 33.6 | Very low | 115 Ų | 115 | 131 Ų | 131 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | cis | -113.2 | 164.5 | 4.7 | -74.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 270 | K | 25.6 | Very low | 33.7 | Very low | 140 Ų | 140 | 131.9 Ų | 131.9 | 61% | 0.609 | 77% | 0.771 | S | S | * | * | cis | 73.6 | 97.4 | 14.5 | -154.1 | -177.7 | -166 | 178.4 | 0 | 116 | Y268 | Y268-K270 HydrophobicContact CD1-CB 4.05Å; Y268-K270 HydrophobicContact CD1-CD 4.09Å; Y268-K270 HydrophobicContact CE1-CB 4.08Å; Y268-K270 HydrophobicContact CE1-CD 3.26Å; Y268-K270 HydrophobicContact CE1-CG 4.3Å; Y268-K270 PolarHBondContact OH-NZ 2.8Å | ||
| 271 | R | 28.6 | Very low | 33.7 | Very low | 193 Ų | 193 | 129.7 Ų | 129.7 | 73% | 0.728 | 77% | 0.769 | S | S | * | * | -170.5 | 136.1 | 88.4 | 167.7 | 178.3 | -75.5 | -106.7 | 15.2 | 112.3 | |||||
| 272 | Q | 32.2 | Very low | 33.4 | Very low | 137 Ų | 137 | 125.3 Ų | 125.3 | 64% | 0.64 | 76% | 0.764 | S | S | * | * | trans | 33.7 | 129.3 | 149.5 | -62.1 | 149.7 | 2 | 0 | 0 | 119.7 | ||||
| 273 | N | 32.2 | Very low | 32.8 | Very low | 145 Ų | 145 | 126 Ų | 126 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | cis | 72.2 | 105 | 48.3 | -173.4 | 93 | 0 | 0 | 0 | 114.8 | ||||
| 274 | S | 33.7 | Very low | 32.5 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | trans | -136.1 | 129 | 145 | -69.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 275 | G | 36.4 | Very low | 32.5 | Very low | 69 Ų | 69 | 124.1 Ų | 124.1 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | -130.1 | 158.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 276 | D | 30.3 | Very low | 32.6 | Very low | 154 Ų | 154 | 124.9 Ų | 124.9 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | trans | -140.8 | 160.5 | 167.6 | -152 | -17 | 0 | 0 | 0 | 109.3 | ||||
| 277 | S | 36.9 | Very low | 32.7 | Very low | 104 Ų | 104 | 125.1 Ų | 125.1 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -151.9 | 118.4 | -163.3 | -62.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 278 | H | 31.3 | Very low | 32.6 | Very low | 170 Ų | 170 | 122.4 Ų | 122.4 | 79% | 0.787 | 79% | 0.785 | S | S | * | * | trans | -143.1 | 106.1 | 170.9 | -109.2 | -84.1 | 0 | 0 | 0 | 114.9 | ||||
| 279 | L | 36.7 | Very low | 32.9 | Very low | 161 Ų | 161 | 118.2 Ų | 118.2 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | 32.3 | 127.9 | 137.8 | -50.8 | -179.7 | 0 | 0 | 0 | 121.4 | ||||
| 280 | G | 30.4 | Very low | 34.1 | Very low | 83 Ų | 83 | 118.2 Ų | 118.2 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | 127.5 | 134.7 | 117.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 281 | G | 28.2 | Very low | 34.6 | Very low | 83 Ų | 83 | 121.9 Ų | 121.9 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | 108.5 | 100.8 | 150.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 282 | G | 29.1 | Very low | 34.8 | Very low | 73 Ų | 73 | 118.5 Ų | 118.5 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -99.8 | -166.1 | 135.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 283 | P | 52.9 | Low | 35.1 | Very low | 128 Ų | 128 | 117.1 Ų | 117.1 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | cis | -143.5 | -154.3 | 15 | 43.5 | -23.1 | 0 | 0 | 0 | 114.4 | ||||
| 284 | A | 34.8 | Very low | 36.3 | Very low | 101 Ų | 101 | 115.4 Ų | 115.4 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | 87.2 | 157.7 | 156.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 285 | A | 32.6 | Very low | 36.4 | Very low | 97 Ų | 97 | 117.4 Ų | 117.4 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | -151.7 | 148.7 | -166.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 286 | T | 33.3 | Very low | 36.3 | Very low | 134 Ų | 134 | 118.6 Ų | 118.6 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -147.3 | 116.6 | 160.9 | 43.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 287 | A | 32.5 | Very low | 36.6 | Very low | 106 Ų | 106 | 116.5 Ų | 116.5 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | 76 | 123.9 | 70.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 288 | G | 30.2 | Very low | 36.4 | Very low | 88 Ų | 88 | 115.4 Ų | 115.4 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | trans | 126.6 | 101.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 289 | G | 33.8 | Very low | 36.5 | Very low | 73 Ų | 73 | 111.2 Ų | 111.2 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | -142.8 | -161.4 | 149.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 290 | P | 55.2 | Low | 37.5 | Very low | 115 Ų | 115 | 109.3 Ų | 109.3 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | cis | -113.5 | -175.2 | -32.8 | 39.2 | -27.5 | 0 | 0 | 0 | 110 | ||||
| 291 | R | 35 | Very low | 37.7 | Very low | 217 Ų | 217 | 111.4 Ų | 111.4 | 82% | 0.819 | 80% | 0.801 | S | S | * | * | trans | 169.1 | 130.7 | 133.1 | -94.8 | 160.4 | -165.6 | -77.6 | -0.5 | 116.5 | ||||
| 292 | T | 33.5 | Very low | 38.2 | Very low | 121 Ų | 121 | 111.8 Ų | 111.8 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | trans | 47.5 | 117.3 | 134.6 | 63.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 293 | S | 38.8 | Very low | 39.2 | Very low | 108 Ų | 108 | 114.5 Ų | 114.5 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | -69 | 179.7 | 137.2 | 58.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 294 | P | 56.1 | Low | 38.1 | Very low | 110 Ų | 110 | 111.5 Ų | 111.5 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | cis | -148.7 | -153.9 | 23.9 | 39.8 | -14.2 | 0 | 0 | 0 | 116.2 | ||||
| 295 | M | 36.6 | Very low | 38.1 | Very low | 171 Ų | 171 | 115.3 Ų | 115.3 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | trans | 83 | 153.3 | 169.2 | -42.1 | -161.7 | 80 | 0 | 0 | 115.6 | ||||
| 296 | S | 34.8 | Very low | 38.3 | Very low | 93 Ų | 93 | 122 Ų | 122 | 65% | 0.65 | 80% | 0.803 | S | S | * | * | cis | -147.6 | 165.7 | 12.9 | -167.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 297 | S | 35.9 | Very low | 39 | Very low | 111 Ų | 111 | 121.3 Ų | 121.3 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | 25.4 | 141.5 | 148.3 | 55.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 298 | G | 32.6 | Very low | 38.9 | Very low | 81 Ų | 81 | 120.9 Ų | 120.9 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | cis | 133.4 | 152.9 | 1.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 299 | G | 32.8 | Very low | 38.8 | Very low | 81 Ų | 81 | 121.2 Ų | 121.2 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | 122.6 | 149 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 300 | P | 57.4 | Low | 38.8 | Very low | 122 Ų | 122 | 123.2 Ų | 123.2 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | trans | -125.3 | 169.3 | -168.7 | 42.7 | -30.1 | 0 | 0 | 0 | 115.9 | ||||
| 301 | S | 36 | Very low | 38 | Very low | 127 Ų | 127 | 123.4 Ų | 123.4 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -171.2 | 158.9 | 140 | -85.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 302 | A | 39 | Very low | 38.5 | Very low | 90 Ų | 90 | 119.1 Ų | 119.1 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | trans | -139.7 | -171.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 303 | P | 48.3 | Very low | 38.7 | Very low | 131 Ų | 131 | 122.8 Ų | 122.8 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | cis | -141 | -170.5 | 5.1 | 44.3 | -25.2 | 0 | 0 | 0 | 115.9 | ||||
| 304 | G | 29.8 | Very low | 38.7 | Very low | 65 Ų | 65 | 128.5 Ų | 128.5 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | trans | 103.6 | 150.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 305 | L | 36.8 | Very low | 37.6 | Very low | 180 Ų | 180 | 130.4 Ų | 130.4 | 94% | 0.942 | 81% | 0.813 | S | S | * | * | cis | -142.4 | 172.3 | -5 | -75.5 | 173.1 | 0 | 0 | 0 | 110.3 | ||||
| 306 | R | 36.7 | Very low | 37.3 | Very low | 238 Ų | 238 | 126.6 Ų | 126.6 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | trans | -97.7 | -175.4 | 170 | -60.9 | -179 | 160.9 | -166.3 | -3.7 | 109.8 | ||||
| 307 | P | 47.8 | Very low | 37.2 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | cis | -140.6 | -172.6 | -0.5 | 40.7 | -20.3 | 0 | 0 | 0 | 117.1 | ||||
| 308 | A | 30.7 | Very low | 36.9 | Very low | 96 Ų | 96 | 128.3 Ų | 128.3 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | trans | 108.8 | 123.5 | 136.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 309 | A | 28.2 | Very low | 37.3 | Very low | 96 Ų | 96 | 131.6 Ų | 131.6 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | trans | 22.6 | 133 | 145.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 310 | S | 33.3 | Very low | 37.3 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | -177.5 | 166.1 | 69.5 | 46.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 311 | S | 37.7 | Very low | 36.2 | Very low | 120 Ų | 120 | 134.1 Ų | 134.1 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | trans | -113.6 | 151.2 | 171.4 | -48.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 312 | P | 46.8 | Very low | 36.4 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -129.2 | 139.9 | 144.8 | 34 | -22.6 | 0 | 0 | 0 | 113.7 | ||||
| 313 | K | 36.8 | Very low | 36.4 | Very low | 199 Ų | 199 | 141.9 Ų | 141.9 | 87% | 0.865 | 81% | 0.814 | S | S | * | * | trans | -79.1 | 147.2 | 161.2 | -82.2 | 173.8 | 167.3 | 175.6 | 0 | 109.8 | ||||
| 314 | R | 39.5 | Very low | 35.7 | Very low | 227 Ų | 227 | 141.1 Ų | 141.1 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | 175.1 | 119.6 | 116.9 | 54.8 | -160.5 | -68.5 | -165.9 | -4.1 | 116 | |||||
| 315 | N | 32.1 | Very low | 36.2 | Very low | 150 Ų | 150 | 142.5 Ų | 142.5 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | trans | 50 | 127.3 | 132 | -53.1 | 10.9 | 0 | 0 | 0 | 123.2 | ||||
| 316 | A | 29.9 | Very low | 36.1 | Very low | 92 Ų | 92 | 139.7 Ų | 139.7 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | trans | 68.1 | 149.9 | 139.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 317 | T | 33.2 | Very low | 36 | Very low | 135 Ų | 135 | 133.2 Ų | 133.2 | 83% | 0.828 | 80% | 0.803 | S | S | * | * | cis | -162.3 | 171.5 | 3.8 | -5.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 318 | S | 30.6 | Very low | 35.7 | Very low | 104 Ų | 104 | 134 Ų | 134 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | cis | -161.4 | -158.8 | 1.1 | -162.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 319 | L | 39.2 | Very low | 36.1 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | 70.9 | 85.7 | 157.4 | -66.2 | 170.8 | 0 | 0 | 0 | 119.7 | ||||
| 320 | E | 33.2 | Very low | 37 | Very low | 178 Ų | 178 | 136.7 Ų | 136.7 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | 44 | 124.6 | 112 | -164.9 | 164 | 177.6 | 0 | 0 | 121.4 | |||||
| 321 | G | 34.6 | Very low | 37.2 | Very low | 78 Ų | 78 | 139 Ų | 139 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -167.1 | 79.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 322 | N | 40.2 | Very low | 37.2 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | -75.4 | 127.6 | 179.8 | -88.4 | -27.5 | 0 | 0 | 0 | 113.3 | ||||
| 323 | R | 39.5 | Very low | 37.2 | Very low | 236 Ų | 236 | 139.8 Ų | 139.8 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | trans | -170.4 | 126.5 | 137.7 | -104.3 | 156.5 | -152.1 | -100.4 | 3.1 | 114.7 | ||||
| 324 | C | 33.3 | Very low | 37.7 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | trans | 53.9 | 114.5 | 144.8 | -60.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 325 | A | 40.5 | Very low | 38.2 | Very low | 94 Ų | 94 | 128.1 Ų | 128.1 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | 61.6 | 90.9 | 128.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 326 | S | 34.5 | Very low | 39.5 | Very low | 120 Ų | 120 | 129 Ų | 129 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | -166.4 | 104.1 | 123.3 | -83.9 | 0 | 0 | 0 | 0 | 110.6 | P328 | S326-P328 WeakPolarHBondContact O-CD 3.31Š| |||
| 327 | S | 33.6 | Very low | 41.4 | Very low | 103 Ų | 103 | 134.2 Ų | 134.2 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | trans | -77.1 | 117.3 | 170.6 | -59 | 0 | 0 | 0 | 0 | 109.5 | S329 | S327-S329 PolarHBondContact O-N 3.24Å; S327-S329 PolarHBondContact O-OG 3.12Å | ||
| 328 | P | 41.6 | Very low | 43.5 | Very low | 137 Ų | 137 | 129.1 Ų | 129.1 | 89% | 0.89 | 73% | 0.731 | S | S | * | * | trans | -64.2 | 104.4 | 175.1 | 27 | -33.4 | 0 | 0 | 0 | 108.7 | S326 | S326-P328 WeakPolarHBondContact O-CD 3.31Š| ||
| 329 | S | 40.1 | Very low | 45.2 | Very low | 92 Ų | 92 | 135 Ų | 135 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | trans | -106.3 | 123.2 | -164.5 | -65.9 | 0 | 0 | 0 | 0 | 110.7 | S327 | S327-S329 PolarHBondContact O-N 3.24Å; S327-S329 PolarHBondContact O-OG 3.12Å | ||
| 330 | Q | 46.3 | Very low | 46.9 | Very low | 156 Ų | 156 | 129.5 Ų | 129.5 | 73% | 0.729 | 71% | 0.711 | S | S | * | * | trans | 65.7 | 80.5 | 169.8 | -51.7 | -177.1 | 43 | 0 | 0 | 116.1 | ||||
| 331 | D | 37.3 | Very low | 49.2 | Very low | 163 Ų | 163 | 128 Ų | 128 | 87% | 0.872 | 70% | 0.698 | S | S | * | * | trans | -127.5 | 66.3 | 142.6 | -143.1 | -16.9 | 0 | 0 | 0 | 111.1 | ||||
| 332 | A | 39.1 | Very low | 51.8 | Low | 84 Ų | 84 | 127.7 Ų | 127.7 | 69% | 0.694 | 68% | 0.678 | S | S | * | * | trans | -131.5 | 56.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | D334 | A332-D334 PolarHBondContact O-N 3Š| ||
| 333 | Q | 46.5 | Very low | 54.3 | Low | 178 Ų | 178 | 120.9 Ų | 120.9 | 83% | 0.832 | 64% | 0.641 | S | S | * | * | trans | -89.8 | 76.8 | 174.6 | -69.1 | -154.3 | 12.8 | 0 | 0 | 112.4 | ||||
| 334 | D | 46.3 | Very low | 56.9 | Low | 109 Ų | 109 | 112.1 Ų | 112.1 | 58% | 0.583 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -136 | 156.5 | 147.5 | -156.2 | -11.8 | 0 | 0 | 0 | 109.4 | A332 R336 K356 | A332-D334 PolarHBondContact O-N 3Å; D334-R336 PolarHBondContact O-N 3.47Å; D334-K356 IonicContact OD1-NZ 3.79Å; D334-K356 PolarHBondContact OD1-NZ 2.77Å; D334-K356 IonicContact OD2-NZ 3.37Å; D334-K356 PolarHBondContact OD2-NZ 3.49Å |
| 335 | A | 49.7 | Very low | 59.7 | Low | 72 Ų | 72 | 109.4 Ų | 109.4 | 60% | 0.595 | 60% | 0.602 | S | S | * | * | trans | 61.5 | 20.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | R337 | A335-R337 PolarHBondContact O-N 3.14Š| ||
| 336 | R | 60.7 | Low | 62.4 | Low | 168 Ų | 168 | 106 Ų | 106 | 63% | 0.634 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 123.6 | 160.2 | -73.6 | -170.1 | -179.3 | 170.8 | 4.8 | 109.9 | D334 W353 | D334-R336 PolarHBondContact O-N 3.47Å; R336-W353 VanDerWaalsContact O-CD1 3.3Å |
| 337 | R | 70.1 | Confident | 65.3 | Low | 201 Ų | 201 | 104 Ų | 104 | 76% | 0.758 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 151.9 | 175.6 | -71.3 | -177.5 | 175.8 | 160.4 | 2.9 | 111.4 | A335 R339 W353 | A335-R337 PolarHBondContact O-N 3.14Å; R337-R339 PolarHBondContact O-N 3.41Å; R337-W353 HydrophobicContact CB-CZ2 4.49Å; R337-W353 HydrophobicContact CG-CH2 3.94Å; R337-W353 HydrophobicContact CG-CZ2 3.63Å |
| 338 | P | 75.8 | Confident | 68.4 | Low | 28 Ų | 28 | 100.5 Ų | 100.5 | 18% | 0.182 | 53% | 0.526 | C | S | . | . | P | Polyproline II helix | trans | -52.8 | 132.7 | 176.6 | -31.6 | 35.9 | 0 | 0 | 0 | 114 | D350 W353 | P338-D350 WeakPolarHBondContact CA-OD1 3.42Å; P338-D350 HydrophobicContact CB-CB 3.95Å; P338-D350 WeakPolarHBondContact CB-OD1 3.47Å; P338-D350 HydrophobicContact CG-CB 4.01Å; P338-W353 HydrophobicContact CG-CD2 4.33Å; P338-W353 HydrophobicContact CG-CE3 3.8Å |
| 339 | R | 67.1 | Low | 71 | Confident | 228 Ų | 228 | 98.2 Ų | 98.2 | 86% | 0.86 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -73.9 | -39 | -176.7 | -60.9 | -168.9 | -169 | -157 | 9.8 | 112.1 | R337 | R337-R339 PolarHBondContact O-N 3.41Š|
| 340 | S | 74.9 | Confident | 73.7 | Confident | 35 Ų | 35 | 95 Ų | 95 | 25% | 0.245 | 48% | 0.479 | C | S | . | . | trans | -82.4 | 134.4 | 173.2 | 176.3 | 0 | 0 | 0 | 0 | 110.2 | N342 W346 | S340-N342 PolarHBondContact OG-N 2.86Å; S340-N342 PolarHBondContact OG-O 3.04Å; S340-W346 PolarHBondContact O-NE1 2.87Å | ||
| 341 | R | 81.9 | Confident | 76.2 | Confident | 147 Ų | 147 | 87.5 Ų | 87.5 | 56% | 0.555 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -79 | -22 | 167.4 | -171.7 | 169.5 | 171.3 | -103.9 | -26.7 | 112.3 | K413 F414 | R341-K413 PolarHBondContact NH2-O 3.33Å; R341-F414 HydrophobicContact CG-CD1 4.22Å; R341-F414 PolarHBondContact NH1-OXT 2.59Å; R341-F414 WeakPolarHBondContact O-CD1 3.18Å; R341-F414 WeakPolarHBondContact O-CE1 3.3Å |
| 342 | N | 89.8 | Confident | 79 | Confident | 71 Ų | 71 | 80.1 Ų | 80.1 | 38% | 0.38 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -88.7 | 121.1 | 176.7 | 173.5 | 17.7 | 0 | 0 | 0 | 110.8 | S340 S344 A345 | S340-N342 PolarHBondContact OG-N 2.86Å; S340-N342 PolarHBondContact OG-O 3.04Å; N342-S344 VanDerWaalsContact C-N 3.31Å; N342-S344 PolarHBondContact ND2-OG 2.89Å; N342-S344 PolarHBondContact O-N 2.91Å; N342-S344 PolarHBondContact OD1-N 3.41Å; N342-S344 VanDerWaalsContact OD1-N 3.11Å; N342-S344 PolarHBondContact OD1-OG 3.25Å; N342-A345 PolarHBondContact O-N 2.81Å |
| 343 | P | 92.4 | Very high | 81.7 | Confident | 1 Ų | 1 | 78.6 Ų | 78.6 | 1% | 0.006 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -63.4 | -24.7 | 179.5 | -23.4 | 34.3 | 0 | 0 | 0 | 115.7 | A345 W346 G377 L381 L409 F414 | P343-A345 PolarHBondContact O-N 2.76Å; P343-W346 HydrophobicContact CB-CD2 4Å; P343-W346 HydrophobicContact CB-CE3 4.03Å; P343-W346 HydrophobicContact CB-CZ3 4.31Å; P343-W346 HydrophobicContact CG-CH2 4.3Å; P343-W346 HydrophobicContact CG-CZ2 4.17Å; P343-W346 WeakPolarHBondContact O-CB 3.42Å; P343-W346 PolarHBondContact O-N 2.95Å; P343-W346 VanDerWaalsContact O-N 3.11Å; P343-G377 CarbonylContact O-C 3.54Å; P343-G377 WeakPolarHBondContact O-CA 3.5Å; P343-L381 HydrophobicContact CB-CD1 4.26Å; P343-L381 HydrophobicContact CB-CD2 4.43Å; P343-L381 HydrophobicContact CB-CG 4.49Å; P343-L409 HydrophobicContact CB-CD2 3.93Å; P343-L409 HydrophobicContact CB-CG 4.47Å; P343-L409 HydrophobicContact CG-CD1 3.96Å; P343-L409 HydrophobicContact CG-CD2 3.74Å; P343-L409 HydrophobicContact CG-CG 3.75Å; P343-F414 HydrophobicContact CG-CD2 4.1Å; P343-F414 HydrophobicContact CG-CE1 4.04Å; P343-F414 HydrophobicContact CG-CE2 3.47Å; P343-F414 VanDerWaalsContact CG-CE2 3.47Å; P343-F414 HydrophobicContact CG-CZ 3.44Å; P343-F414 VanDerWaalsContact CG-CZ 3.44Å |
| 344 | S | 92.9 | Very high | 84.1 | Confident | 51 Ų | 51 | 71.2 Ų | 71.2 | 36% | 0.357 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -69.2 | -4.2 | 177.8 | 80.9 | 0 | 0 | 0 | 0 | 113.7 | N342 N378 | N342-S344 VanDerWaalsContact C-N 3.31Å; N342-S344 PolarHBondContact ND2-OG 2.89Å; N342-S344 PolarHBondContact O-N 2.91Å; N342-S344 PolarHBondContact OD1-N 3.41Å; N342-S344 VanDerWaalsContact OD1-N 3.11Å; N342-S344 PolarHBondContact OD1-OG 3.25Å; S344-N378 WeakPolarHBondContact CB-OD1 3.31Å; S344-N378 PolarHBondContact O-ND2 2.89Å; S344-N378 PolarHBondContact O-OD1 3.46Å |
| 345 | A | 93.5 | Very high | 86.5 | Confident | 60 Ų | 60 | 66 Ų | 66 | 50% | 0.496 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -122.6 | 28.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | N342 P343 | N342-A345 PolarHBondContact O-N 2.81Å; P343-A345 PolarHBondContact O-N 2.76Å |
| 346 | W | 95.9 | Very high | 88.6 | Confident | 22 Ų | 22 | 66.4 Ų | 66.4 | 8% | 0.083 | 31% | 0.307 | C | S | . | . | trans | -90 | 131.9 | 171.9 | -76.4 | -0.8 | 0 | 0 | 0 | 111.3 | S340 P343 D350 V351 F354 G377 L380 L409 | S340-W346 PolarHBondContact O-NE1 2.87Å; P343-W346 HydrophobicContact CB-CD2 4Å; P343-W346 HydrophobicContact CB-CE3 4.03Å; P343-W346 HydrophobicContact CB-CZ3 4.31Å; P343-W346 HydrophobicContact CG-CH2 4.3Å; P343-W346 HydrophobicContact CG-CZ2 4.17Å; P343-W346 WeakPolarHBondContact O-CB 3.42Å; P343-W346 PolarHBondContact O-N 2.95Å; P343-W346 VanDerWaalsContact O-N 3.11Å; W346-D350 HydrophobicContact CB-CB 3.67Å; W346-D350 HydrophobicContact CD2-CB 4.3Å; W346-D350 HydrophobicContact CG-CB 3.75Å; W346-V351 HydrophobicContact CB-CG2 4.2Å; W346-V351 HydrophobicContact CE3-CG2 4.26Å; W346-F354 HydrophobicContact CE3-CB 4.36Å; W346-F354 HydrophobicContact CH2-CB 3.97Å; W346-F354 AromaticContact CH2-CD2 3.73Å; W346-F354 HydrophobicContact CH2-CD2 3.73Å; W346-F354 HydrophobicContact CH2-CE2 4.39Å; W346-F354 AromaticContact CH2-CG 3.85Å; W346-F354 HydrophobicContact CH2-CG 3.85Å; W346-F354 HydrophobicContact CZ3-CB 3.6Å; W346-F354 AromaticContact CZ3-CD1 3.92Å; W346-F354 HydrophobicContact CZ3-CD1 3.92Å; W346-F354 AromaticContact CZ3-CD2 3.85Å; W346-F354 HydrophobicContact CZ3-CD2 3.85Å; W346-F354 AromaticContact CZ3-CG 3.5Å; W346-F354 HydrophobicContact CZ3-CG 3.5Å; W346-F354 VanDerWaalsContact CZ3-CG 3.5Å; W346-G377 PolarHBondContact O-N 2.71Å; W346-L380 HydrophobicContact CE3-CD2 4.15Å; W346-L380 HydrophobicContact CZ3-CD2 4.11Å; W346-L409 HydrophobicContact CE3-CD2 4.42Å; W346-L409 HydrophobicContact CH2-CD1 3.53Å; W346-L409 HydrophobicContact CH2-CD2 3.84Å; W346-L409 HydrophobicContact CH2-CG 4.33Å; W346-L409 HydrophobicContact CZ2-CD1 4.29Å; W346-L409 HydrophobicContact CZ3-CD1 4.15Å; W346-L409 HydrophobicContact CZ3-CD2 3.56Å | ||
| 347 | T | 96.9 | Very high | 90.2 | Very high | 78 Ų | 78 | 60.9 Ų | 60.9 | 48% | 0.479 | 29% | 0.29 | S | S | . | . | trans | -71.7 | 169.4 | 166.5 | 63.1 | 0 | 0 | 0 | 0 | 111.2 | E349 D350 V351 | T347-E349 PolarHBondContact O-N 2.94Å; T347-D350 WeakPolarHBondContact CB-OD2 3.46Å; T347-D350 PolarHBondContact N-OD2 3.25Å; T347-D350 WeakPolarHBondContact O-CB 3.47Å; T347-D350 PolarHBondContact O-N 3.14Å; T347-D350 VanDerWaalsContact O-N 3.12Å; T347-D350 VanDerWaalsContact OG1-CG 3.25Å; T347-D350 PolarHBondContact OG1-N 2.82Å; T347-D350 PolarHBondContact OG1-OD2 3.25Å; T347-V351 WeakPolarHBondContact O-CG2 3.49Å; T347-V351 PolarHBondContact O-N 3.17Å | ||
| 348 | V | 97.7 | Very high | 91.4 | Very high | 29 Ų | 29 | 52.1 Ų | 52.1 | 18% | 0.176 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.3 | -40 | 173 | -175.7 | 0 | 0 | 0 | 0 | 111.1 | V351 V352 F370 R371 | V348-V351 WeakPolarHBondContact O-CB 3.32Å; V348-V351 PolarHBondContact O-N 3.45Å; V348-V352 HydrophobicContact CG1-CG2 4.46Å; V348-V352 WeakPolarHBondContact O-CB 3.47Å; V348-V352 VanDerWaalsContact O-CG2 3.3Å; V348-V352 WeakPolarHBondContact O-CG2 3.44Å; V348-V352 PolarHBondContact O-N 3.38Å; V348-F370 WeakPolarHBondContact CG1-O 3.25Å; V348-R371 HydrophobicContact CG1-CG 4.31Å |
| 349 | E | 96.9 | Very high | 92.3 | Very high | 89 Ų | 89 | 52 Ų | 52 | 42% | 0.416 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64 | -39.4 | 174.4 | -90.7 | 34.8 | -112.2 | 0 | 0 | 113.5 | T347 V351 V352 W353 R371 | T347-E349 PolarHBondContact O-N 2.94Å; E349-V351 VanDerWaalsContact C-N 3.33Å; E349-V352 PolarHBondContact O-N 3.16Å; E349-W353 WeakPolarHBondContact O-CB 3.35Å; E349-W353 PolarHBondContact O-N 2.99Å; E349-R371 IonicContact OE1-CZ 3.25Å; E349-R371 IonicContact OE1-NE 3.5Å; E349-R371 PolarHBondContact OE1-NE 2.91Å; E349-R371 IonicContact OE1-NH2 2.81Å; E349-R371 PolarHBondContact OE1-NH2 3.45Å; E349-R371 VanDerWaalsContact OE1-NH2 3.07Å |
| 350 | D | 96.6 | Very high | 93.6 | Very high | 24 Ų | 24 | 45.4 Ų | 45.4 | 13% | 0.128 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.6 | -39.3 | 173.7 | -63.5 | -63.4 | 0 | 0 | 0 | 110.9 | P338 W346 T347 F354 | P338-D350 WeakPolarHBondContact CA-OD1 3.42Å; P338-D350 HydrophobicContact CB-CB 3.95Å; P338-D350 WeakPolarHBondContact CB-OD1 3.47Å; P338-D350 HydrophobicContact CG-CB 4.01Å; W346-D350 HydrophobicContact CB-CB 3.67Å; W346-D350 HydrophobicContact CD2-CB 4.3Å; W346-D350 HydrophobicContact CG-CB 3.75Å; T347-D350 WeakPolarHBondContact CB-OD2 3.46Å; T347-D350 PolarHBondContact N-OD2 3.25Å; T347-D350 WeakPolarHBondContact O-CB 3.47Å; T347-D350 PolarHBondContact O-N 3.14Å; T347-D350 VanDerWaalsContact O-N 3.12Å; T347-D350 VanDerWaalsContact OG1-CG 3.25Å; T347-D350 PolarHBondContact OG1-N 2.82Å; T347-D350 PolarHBondContact OG1-OD2 3.25Å; D350-F354 WeakPolarHBondContact O-CB 3.34Å; D350-F354 PolarHBondContact O-N 3.06Å |
| 351 | V | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.4 | -47 | 174.9 | 169.9 | 0 | 0 | 0 | 0 | 111.4 | W346 T347 V348 E349 W353 F354 V355 F370 I375 L380 | W346-V351 HydrophobicContact CB-CG2 4.2Å; W346-V351 HydrophobicContact CE3-CG2 4.26Å; T347-V351 WeakPolarHBondContact O-CG2 3.49Å; T347-V351 PolarHBondContact O-N 3.17Å; V348-V351 WeakPolarHBondContact O-CB 3.32Å; V348-V351 PolarHBondContact O-N 3.45Å; E349-V351 VanDerWaalsContact C-N 3.33Å; V351-W353 VanDerWaalsContact C-N 3.3Å; V351-W353 PolarHBondContact O-N 2.81Å; V351-F354 WeakPolarHBondContact O-CB 3.46Å; V351-F354 PolarHBondContact O-N 3.37Å; V351-F354 VanDerWaalsContact O-N 3.14Å; V351-V355 HydrophobicContact CG1-CG2 4.32Å; V351-V355 VanDerWaalsContact O-CG2 3.32Å; V351-V355 WeakPolarHBondContact O-CG2 3.19Å; V351-V355 PolarHBondContact O-N 2.98Å; V351-F370 HydrophobicContact CG1-CD1 3.77Å; V351-F370 HydrophobicContact CG1-CE1 4.5Å; V351-F370 HydrophobicContact CG1-CG 4.48Å; V351-I375 WeakPolarHBondContact CB-O 3.47Å; V351-I375 HydrophobicContact CG1-CG2 4.46Å; V351-I375 WeakPolarHBondContact CG1-O 3.44Å; V351-I375 WeakPolarHBondContact CG2-O 3.32Å; V351-L380 HydrophobicContact CG1-CB 4.35Å; V351-L380 HydrophobicContact CG1-CD1 4.01Å; V351-L380 HydrophobicContact CG1-CD2 4.06Å; V351-L380 HydrophobicContact CG1-CG 4.36Å; V351-L380 HydrophobicContact CG2-CB 4.19Å; V351-L380 HydrophobicContact CG2-CD2 3.95Å |
| 352 | V | 97.4 | Very high | 95 | Very high | 8 Ų | 8 | 46 Ų | 46 | 5% | 0.048 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.7 | -45 | 174.9 | 160.4 | 0 | 0 | 0 | 0 | 110.7 | V348 E349 V355 K356 V367 F370 R371 | V348-V352 HydrophobicContact CG1-CG2 4.46Å; V348-V352 WeakPolarHBondContact O-CB 3.47Å; V348-V352 VanDerWaalsContact O-CG2 3.3Å; V348-V352 WeakPolarHBondContact O-CG2 3.44Å; V348-V352 PolarHBondContact O-N 3.38Å; E349-V352 PolarHBondContact O-N 3.16Å; V352-V355 PolarHBondContact O-N 2.92Å; V352-K356 VanDerWaalsContact O-CB 3.31Å; V352-K356 WeakPolarHBondContact O-CB 3.47Å; V352-K356 PolarHBondContact O-N 3.17Å; V352-V367 HydrophobicContact CG1-CB 4.11Å; V352-V367 HydrophobicContact CG1-CG2 4.33Å; V352-F370 HydrophobicContact CG2-CB 4.02Å; V352-R371 HydrophobicContact CG2-CG 3.74Å |
| 353 | W | 95.4 | Very high | 95.3 | Very high | 52 Ų | 52 | 42.6 Ų | 42.6 | 20% | 0.197 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.7 | -46.2 | 175.1 | -172 | 97.3 | 0 | 0 | 0 | 111.6 | R336 R337 P338 E349 V351 V355 K356 D357 | R336-W353 VanDerWaalsContact O-CD1 3.3Å; R337-W353 HydrophobicContact CB-CZ2 4.49Å; R337-W353 HydrophobicContact CG-CH2 3.94Å; R337-W353 HydrophobicContact CG-CZ2 3.63Å; P338-W353 HydrophobicContact CG-CD2 4.33Å; P338-W353 HydrophobicContact CG-CE3 3.8Å; E349-W353 WeakPolarHBondContact O-CB 3.35Å; E349-W353 PolarHBondContact O-N 2.99Å; V351-W353 VanDerWaalsContact C-N 3.3Å; V351-W353 PolarHBondContact O-N 2.81Å; W353-V355 PolarHBondContact O-N 2.84Å; W353-K356 PolarHBondContact O-N 3.09Å; W353-D357 HydrophobicContact CE3-CB 4.06Å; W353-D357 HydrophobicContact CH2-CB 3.54Å; W353-D357 VanDerWaalsContact CH2-CG 3.48Å; W353-D357 WeakPolarHBondContact CH2-OD1 3.45Å; W353-D357 HydrophobicContact CZ2-CB 4.05Å; W353-D357 HydrophobicContact CZ3-CB 3.57Å; W353-D357 PolarHBondContact O-N 3.46Å |
| 354 | F | 96.1 | Very high | 95.5 | Very high | 23 Ų | 23 | 43.4 Ų | 43.4 | 10% | 0.101 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.3 | -44.5 | 177.5 | 164.7 | -103.5 | 0 | 0 | 0 | 112.3 | W346 D350 V351 K356 D357 A358 L380 H405 L409 | W346-F354 HydrophobicContact CE3-CB 4.36Å; W346-F354 HydrophobicContact CH2-CB 3.97Å; W346-F354 AromaticContact CH2-CD2 3.73Å; W346-F354 HydrophobicContact CH2-CD2 3.73Å; W346-F354 HydrophobicContact CH2-CE2 4.39Å; W346-F354 AromaticContact CH2-CG 3.85Å; W346-F354 HydrophobicContact CH2-CG 3.85Å; W346-F354 HydrophobicContact CZ3-CB 3.6Å; W346-F354 AromaticContact CZ3-CD1 3.92Å; W346-F354 HydrophobicContact CZ3-CD1 3.92Å; W346-F354 AromaticContact CZ3-CD2 3.85Å; W346-F354 HydrophobicContact CZ3-CD2 3.85Å; W346-F354 AromaticContact CZ3-CG 3.5Å; W346-F354 HydrophobicContact CZ3-CG 3.5Å; W346-F354 VanDerWaalsContact CZ3-CG 3.5Å; D350-F354 WeakPolarHBondContact O-CB 3.34Å; D350-F354 PolarHBondContact O-N 3.06Å; V351-F354 WeakPolarHBondContact O-CB 3.46Å; V351-F354 PolarHBondContact O-N 3.37Å; V351-F354 VanDerWaalsContact O-N 3.14Å; F354-K356 VanDerWaalsContact C-N 3.35Å; F354-D357 PolarHBondContact O-N 3.38Å; F354-A358 WeakPolarHBondContact O-CB 3.44Å; F354-A358 PolarHBondContact O-N 2.78Å; F354-L380 HydrophobicContact CD1-CD2 3.82Å; F354-L380 HydrophobicContact CE1-CD2 3.96Å; F354-H405 HydrophobicContact CZ-CB 4.07Å; F354-L409 HydrophobicContact CD2-CD1 4.4Å; F354-L409 HydrophobicContact CE1-CD2 4.19Å; F354-L409 HydrophobicContact CE2-CB 4.42Å; F354-L409 HydrophobicContact CE2-CD1 3.89Å; F354-L409 HydrophobicContact CE2-CD2 4.27Å; F354-L409 HydrophobicContact CE2-CG 4.43Å; F354-L409 HydrophobicContact CZ-CB 4.1Å; F354-L409 HydrophobicContact CZ-CD1 4.31Å; F354-L409 HydrophobicContact CZ-CD2 3.96Å; F354-L409 HydrophobicContact CZ-CG 4.36Å |
| 355 | V | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.5 | -37.4 | 178.4 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | V351 V352 W353 L363 V367 F370 L402 | V351-V355 HydrophobicContact CG1-CG2 4.32Å; V351-V355 VanDerWaalsContact O-CG2 3.32Å; V351-V355 WeakPolarHBondContact O-CG2 3.19Å; V351-V355 PolarHBondContact O-N 2.98Å; V352-V355 PolarHBondContact O-N 2.92Å; W353-V355 PolarHBondContact O-N 2.84Å; V355-L363 HydrophobicContact CG1-CB 3.71Å; V355-L363 HydrophobicContact CG1-CD1 4.39Å; V355-V367 HydrophobicContact CB-CG1 4.23Å; V355-V367 HydrophobicContact CG1-CG1 3.9Å; V355-F370 HydrophobicContact CG1-CD2 4.38Å; V355-F370 HydrophobicContact CG1-CE2 3.85Å; V355-F370 HydrophobicContact CG1-CZ 4.03Å; V355-F370 HydrophobicContact CG2-CD1 4.07Å; V355-F370 HydrophobicContact CG2-CE1 3.74Å; V355-F370 HydrophobicContact CG2-CE2 4.27Å; V355-F370 HydrophobicContact CG2-CG 4.49Å; V355-F370 HydrophobicContact CG2-CZ 3.84Å; V355-L402 HydrophobicContact CG1-CD1 4.46Å; V355-L402 HydrophobicContact CG2-CD1 4.03Å |
| 356 | K | 95.1 | Very high | 95.8 | Very high | 79 Ų | 79 | 45.5 Ų | 45.5 | 34% | 0.343 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.9 | -42.3 | 174.6 | -163.5 | 178.6 | 177.6 | -178.4 | 0 | 112.3 | D334 V352 W353 F354 P360 V367 | D334-K356 IonicContact OD1-NZ 3.79Å; D334-K356 PolarHBondContact OD1-NZ 2.77Å; D334-K356 IonicContact OD2-NZ 3.37Å; D334-K356 PolarHBondContact OD2-NZ 3.49Å; V352-K356 VanDerWaalsContact O-CB 3.31Å; V352-K356 WeakPolarHBondContact O-CB 3.47Å; V352-K356 PolarHBondContact O-N 3.17Å; W353-K356 PolarHBondContact O-N 3.09Å; F354-K356 VanDerWaalsContact C-N 3.35Å; K356-P360 WeakPolarHBondContact O-CA 3.48Å; K356-P360 WeakPolarHBondContact O-CD 3.38Å; K356-P360 VanDerWaalsContact O-CG 3.26Å; K356-P360 WeakPolarHBondContact O-CG 3.17Å; K356-V367 HydrophobicContact CB-CG1 4.18Å |
| 357 | D | 94.5 | Very high | 95.9 | Very high | 52 Ų | 52 | 45.4 Ų | 45.4 | 28% | 0.278 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -74.4 | -31.8 | 177 | 176.9 | 88 | 0 | 0 | 0 | 113.6 | R187 W353 F354 | R187-D357 IonicContact CZ-OD2 2.71Å; R187-D357 VanDerWaalsContact CZ-OD2 3.24Å; R187-D357 PolarHBondContact NH1-O 2.96Å; R187-D357 IonicContact NH1-OD1 3.97Å; R187-D357 IonicContact NH1-OD2 2.66Å; R187-D357 PolarHBondContact NH1-OD2 2.78Å; R187-D357 IonicContact NH2-OD2 2.79Å; R187-D357 PolarHBondContact NH2-OD2 2.81Å; W353-D357 HydrophobicContact CE3-CB 4.06Å; W353-D357 HydrophobicContact CH2-CB 3.54Å; W353-D357 VanDerWaalsContact CH2-CG 3.48Å; W353-D357 WeakPolarHBondContact CH2-OD1 3.45Å; W353-D357 HydrophobicContact CZ2-CB 4.05Å; W353-D357 HydrophobicContact CZ3-CB 3.57Å; W353-D357 PolarHBondContact O-N 3.46Å; F354-D357 PolarHBondContact O-N 3.38Å |
| 358 | A | 94.7 | Very high | 95.9 | Very high | 18 Ų | 18 | 46.9 Ų | 46.9 | 15% | 0.149 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.5 | -52 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F354 L363 H405 | F354-A358 WeakPolarHBondContact O-CB 3.44Å; F354-A358 PolarHBondContact O-N 2.78Å; A358-L363 HydrophobicContact CB-CD1 4.47Å; A358-H405 HydrophobicContact CB-CB 4.14Å; A358-H405 PolarHBondContact O-CE1 3.46Å; A358-H405 PolarHBondContact O-NE2 3.27Å |
| 359 | D | 94.6 | Very high | 95.9 | Very high | 26 Ų | 26 | 47.8 Ų | 47.8 | 14% | 0.139 | 25% | 0.254 | C | S | . | . | trans | -150.5 | 89.1 | 173.3 | -170.9 | -35.7 | 0 | 0 | 0 | 109.8 | Q361 A362 L363 G364 K401 | D359-Q361 PolarHBondContact O-N 2.9Å; D359-Q361 VanDerWaalsContact O-N 3.15Å; D359-Q361 PolarHBondContact OD1-N 2.74Å; D359-A362 PolarHBondContact O-N 3.14Å; D359-A362 PolarHBondContact OD1-N 2.94Å; D359-L363 HydrophobicContact CB-CB 4.4Å; D359-L363 HydrophobicContact CB-CD1 4.03Å; D359-L363 HydrophobicContact CB-CG 4.05Å; D359-L363 WeakPolarHBondContact O-CA 3.31Å; D359-L363 WeakPolarHBondContact O-CB 3.49Å; D359-L363 PolarHBondContact O-N 3.19Å; D359-G364 PolarHBondContact O-N 2.94Å; D359-K401 IonicContact OD1-NZ 2.78Å; D359-K401 WeakPolarHBondContact OD2-CD 3.44Å; D359-K401 WeakPolarHBondContact OD2-CE 3.46Å; D359-K401 IonicContact OD2-NZ 3.07Å; D359-K401 PolarHBondContact OD2-NZ 3.21Å | ||
| 360 | P | 94.1 | Very high | 95.9 | Very high | 88 Ų | 88 | 43.5 Ų | 43.5 | 57% | 0.571 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -30 | -178.3 | -21.7 | 27.7 | 0 | 0 | 0 | 113.7 | K356 G364 | K356-P360 WeakPolarHBondContact O-CA 3.48Å; K356-P360 WeakPolarHBondContact O-CD 3.38Å; K356-P360 VanDerWaalsContact O-CG 3.26Å; K356-P360 WeakPolarHBondContact O-CG 3.17Å; P360-G364 WeakPolarHBondContact O-CA 3.39Å; P360-G364 PolarHBondContact O-N 2.9Å |
| 361 | Q | 93 | Very high | 96 | Very high | 173 Ų | 173 | 47 Ų | 47 | 81% | 0.808 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -40.7 | -173.8 | -164.6 | 81.1 | 10.2 | 0 | 0 | 112.1 | D359 | D359-Q361 PolarHBondContact O-N 2.9Å; D359-Q361 VanDerWaalsContact O-N 3.15Å; D359-Q361 PolarHBondContact OD1-N 2.74Å |
| 362 | A | 93.6 | Very high | 95.9 | Very high | 21 Ų | 21 | 54.9 Ų | 54.9 | 17% | 0.174 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -13.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | D359 H366 K401 | D359-A362 PolarHBondContact O-N 3.14Å; D359-A362 PolarHBondContact OD1-N 2.94Å; A362-H366 PolarHBondContact O-CD2 3.33Å; A362-K401 HydrophobicContact CB-CD 3.67Å; A362-K401 VanDerWaalsContact CB-NZ 3.3Å |
| 363 | L | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -26.7 | 174.7 | -59.9 | 177.1 | 0 | 0 | 0 | 112.5 | V355 A358 D359 H366 V367 L394 P398 L402 | V355-L363 HydrophobicContact CG1-CB 3.71Å; V355-L363 HydrophobicContact CG1-CD1 4.39Å; A358-L363 HydrophobicContact CB-CD1 4.47Å; D359-L363 HydrophobicContact CB-CB 4.4Å; D359-L363 HydrophobicContact CB-CD1 4.03Å; D359-L363 HydrophobicContact CB-CG 4.05Å; D359-L363 WeakPolarHBondContact O-CA 3.31Å; D359-L363 WeakPolarHBondContact O-CB 3.49Å; D359-L363 PolarHBondContact O-N 3.19Å; L363-H366 WeakPolarHBondContact O-CA 3.45Å; L363-H366 WeakPolarHBondContact O-CB 3.32Å; L363-H366 PolarHBondContact O-N 3.16Å; L363-V367 PolarHBondContact O-N 3.15Å; L363-L394 HydrophobicContact CD2-CD2 4.41Å; L363-P398 HydrophobicContact CD2-CB 4.27Å; L363-P398 WeakPolarHBondContact CD2-O 3.46Å; L363-L402 HydrophobicContact CD1-CB 4.42Å; L363-L402 HydrophobicContact CD1-CD1 4.26Å; L363-L402 HydrophobicContact CD2-CB 4.03Å |
| 364 | G | 95.4 | Very high | 96.1 | Very high | 19 Ų | 19 | 63.8 Ų | 63.8 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -48.5 | -47.3 | 174 | 0 | 0 | 0 | 0 | 0 | 114.8 | D359 P360 H366 V367 | D359-G364 PolarHBondContact O-N 2.94Å; P360-G364 WeakPolarHBondContact O-CA 3.39Å; P360-G364 PolarHBondContact O-N 2.9Å; G364-H366 PolarHBondContact O-N 3.2Å; G364-V367 WeakPolarHBondContact O-CG2 3.1Å; G364-V367 PolarHBondContact O-N 3.05Å |
| 365 | P | 97.1 | Very high | 96.2 | Very high | 100 Ų | 100 | 63 Ų | 63 | 65% | 0.649 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -65.6 | -5 | 176 | -23.5 | 35.2 | 0 | 0 | 0 | 115.6 | ||
| 366 | H | 96.5 | Very high | 96.2 | Very high | 55 Ų | 55 | 65.4 Ų | 65.4 | 26% | 0.255 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -115.2 | -2 | -175.3 | -64.3 | -43.7 | 0 | 0 | 0 | 113.5 | A362 L363 G364 E368 L369 F370 L394 | A362-H366 PolarHBondContact O-CD2 3.33Å; L363-H366 WeakPolarHBondContact O-CA 3.45Å; L363-H366 WeakPolarHBondContact O-CB 3.32Å; L363-H366 PolarHBondContact O-N 3.16Å; G364-H366 PolarHBondContact O-N 3.2Å; H366-E368 VanDerWaalsContact C-N 3.25Å; H366-E368 PolarHBondContact O-N 3.45Å; H366-L369 HydrophobicContact CB-CD1 4.13Å; H366-L369 VanDerWaalsContact O-CB 3.32Å; H366-L369 WeakPolarHBondContact O-CB 3.49Å; H366-L369 PolarHBondContact O-N 3.16Å; H366-L369 VanDerWaalsContact O-N 3.1Å; H366-F370 WeakPolarHBondContact O-CD2 3.05Å; H366-L394 HydrophobicContact CB-CD1 4.29Å |
| 367 | V | 96.7 | Very high | 96.3 | Very high | 19 Ų | 19 | 61.6 Ų | 61.6 | 12% | 0.115 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.9 | -30.3 | -173.9 | -60.4 | 0 | 0 | 0 | 0 | 113.8 | V352 V355 K356 L363 G364 L369 F370 | V352-V367 HydrophobicContact CG1-CB 4.11Å; V352-V367 HydrophobicContact CG1-CG2 4.33Å; V355-V367 HydrophobicContact CB-CG1 4.23Å; V355-V367 HydrophobicContact CG1-CG1 3.9Å; K356-V367 HydrophobicContact CB-CG1 4.18Å; L363-V367 PolarHBondContact O-N 3.15Å; G364-V367 WeakPolarHBondContact O-CG2 3.1Å; G364-V367 PolarHBondContact O-N 3.05Å; V367-L369 PolarHBondContact O-N 3.01Å; V367-F370 WeakPolarHBondContact O-CB 3.29Å; V367-F370 PolarHBondContact O-N 3.37Å |
| 368 | E | 97.4 | Very high | 96.4 | Very high | 110 Ų | 110 | 62.6 Ų | 62.6 | 51% | 0.514 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.5 | -19.1 | -179.9 | -156.6 | 54.7 | -144.1 | 0 | 0 | 112.9 | H366 F370 R371 K372 | H366-E368 VanDerWaalsContact C-N 3.25Å; H366-E368 PolarHBondContact O-N 3.45Å; E368-F370 VanDerWaalsContact C-N 3.32Å; E368-R371 PolarHBondContact O-N 3.05Å; E368-R371 VanDerWaalsContact OE1-CD 3.32Å; E368-R371 WeakPolarHBondContact OE1-CD 3.46Å; E368-R371 IonicContact OE2-CZ 3.24Å; E368-R371 IonicContact OE2-NH1 2.76Å; E368-R371 PolarHBondContact OE2-NH1 3.12Å; E368-K372 WeakPolarHBondContact O-CB 3.29Å; E368-K372 PolarHBondContact O-N 3.45Å |
| 369 | L | 97.4 | Very high | 96.5 | Very high | 47 Ų | 47 | 63.5 Ų | 63.5 | 25% | 0.246 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.6 | -32.7 | 170.2 | -61.3 | 164 | 0 | 0 | 0 | 111.2 | H366 V367 R371 K372 H373 L392 L394 | H366-L369 HydrophobicContact CB-CD1 4.13Å; H366-L369 VanDerWaalsContact O-CB 3.32Å; H366-L369 WeakPolarHBondContact O-CB 3.49Å; H366-L369 PolarHBondContact O-N 3.16Å; H366-L369 VanDerWaalsContact O-N 3.1Å; V367-L369 PolarHBondContact O-N 3.01Å; L369-R371 VanDerWaalsContact C-N 3.33Å; L369-K372 PolarHBondContact O-N 3.42Å; L369-H373 WeakPolarHBondContact O-CB 3.34Å; L369-H373 PolarHBondContact O-CD2 3.07Å; L369-H373 PolarHBondContact O-N 3.48Å; L369-L392 WeakPolarHBondContact CD1-O 3.14Å; L369-L394 HydrophobicContact CD1-CD1 3.65Å |
| 370 | F | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -70.1 | -33.5 | 177.9 | -65 | -105.3 | 0 | 0 | 0 | 111.1 | V348 V351 V352 V355 H366 V367 E368 E374 I375 L380 L383 L402 | V348-F370 WeakPolarHBondContact CG1-O 3.25Å; V351-F370 HydrophobicContact CG1-CD1 3.77Å; V351-F370 HydrophobicContact CG1-CE1 4.5Å; V351-F370 HydrophobicContact CG1-CG 4.48Å; V352-F370 HydrophobicContact CG2-CB 4.02Å; V355-F370 HydrophobicContact CG1-CD2 4.38Å; V355-F370 HydrophobicContact CG1-CE2 3.85Å; V355-F370 HydrophobicContact CG1-CZ 4.03Å; V355-F370 HydrophobicContact CG2-CD1 4.07Å; V355-F370 HydrophobicContact CG2-CE1 3.74Å; V355-F370 HydrophobicContact CG2-CE2 4.27Å; V355-F370 HydrophobicContact CG2-CG 4.49Å; V355-F370 HydrophobicContact CG2-CZ 3.84Å; H366-F370 WeakPolarHBondContact O-CD2 3.05Å; V367-F370 WeakPolarHBondContact O-CB 3.29Å; V367-F370 PolarHBondContact O-N 3.37Å; E368-F370 VanDerWaalsContact C-N 3.32Å; F370-E374 PolarHBondContact O-N 2.78Å; F370-I375 HydrophobicContact CB-CB 4.3Å; F370-I375 HydrophobicContact CB-CD1 4.42Å; F370-I375 HydrophobicContact CD1-CB 4.05Å; F370-I375 HydrophobicContact CD1-CD1 3.76Å; F370-I375 HydrophobicContact CD1-CG1 4.4Å; F370-I375 HydrophobicContact CD1-CG2 4.09Å; F370-I375 HydrophobicContact CE1-CD1 4.25Å; F370-I375 HydrophobicContact CG-CD1 4.19Å; F370-I375 PolarHBondContact O-N 2.72Å; F370-L380 HydrophobicContact CE1-CD1 4.21Å; F370-L383 HydrophobicContact CE1-CD1 4.4Å; F370-L402 HydrophobicContact CE1-CD1 4.1Å; F370-L402 HydrophobicContact CE1-CD2 4.11Å; F370-L402 HydrophobicContact CZ-CD1 3.71Å; F370-L402 HydrophobicContact CZ-CD2 3.63Å; F370-L402 HydrophobicContact CZ-CG 4.33Å |
| 371 | R | 97.7 | Very high | 96.7 | Very high | 97 Ų | 97 | 60.1 Ų | 60.1 | 37% | 0.366 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.7 | -54.9 | 168 | -65.8 | -168.7 | 173.7 | 120.9 | -5 | 112.2 | V348 E349 V352 E368 L369 H373 E374 | V348-R371 HydrophobicContact CG1-CG 4.31Å; E349-R371 IonicContact OE1-CZ 3.25Å; E349-R371 IonicContact OE1-NE 3.5Å; E349-R371 PolarHBondContact OE1-NE 2.91Å; E349-R371 IonicContact OE1-NH2 2.81Å; E349-R371 PolarHBondContact OE1-NH2 3.45Å; E349-R371 VanDerWaalsContact OE1-NH2 3.07Å; V352-R371 HydrophobicContact CG2-CG 3.74Å; E368-R371 PolarHBondContact O-N 3.05Å; E368-R371 VanDerWaalsContact OE1-CD 3.32Å; E368-R371 WeakPolarHBondContact OE1-CD 3.46Å; E368-R371 IonicContact OE2-CZ 3.24Å; E368-R371 IonicContact OE2-NH1 2.76Å; E368-R371 PolarHBondContact OE2-NH1 3.12Å; L369-R371 VanDerWaalsContact C-N 3.33Å; R371-H373 PolarHBondContact O-N 3.44Å; R371-H373 VanDerWaalsContact O-N 3.16Å; R371-E374 PolarHBondContact O-N 3.4Å |
| 372 | K | 97.2 | Very high | 96.9 | Very high | 165 Ų | 165 | 57.8 Ų | 57.8 | 72% | 0.717 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -59 | -28.9 | -177.3 | -176.8 | 177 | 177.5 | -177.2 | 0 | 113.8 | E368 L369 | E368-K372 WeakPolarHBondContact O-CB 3.29Å; E368-K372 PolarHBondContact O-N 3.45Å; L369-K372 PolarHBondContact O-N 3.42Å |
| 373 | H | 97.7 | Very high | 97 | Very high | 84 Ų | 84 | 57.8 Ų | 57.8 | 39% | 0.389 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 14 | 177 | -68.2 | -85.3 | 0 | 0 | 0 | 113.2 | L369 R371 I375 Y391 L392 | L369-H373 WeakPolarHBondContact O-CB 3.34Å; L369-H373 PolarHBondContact O-CD2 3.07Å; L369-H373 PolarHBondContact O-N 3.48Å; R371-H373 PolarHBondContact O-N 3.44Å; R371-H373 VanDerWaalsContact O-N 3.16Å; H373-I375 HydrophobicContact CB-CD1 4.04Å; H373-I375 HydrophobicContact CB-CG1 3.82Å; H373-I375 WeakPolarHBondContact O-CG1 3.44Å; H373-I375 PolarHBondContact O-N 3.07Å; H373-I375 VanDerWaalsContact O-N 3.14Å; H373-Y391 PolarHBondContact CE1-O 3.19Å; H373-L392 HydrophobicContact CB-CD2 3.87Å |
| 374 | E | 97.7 | Very high | 96.8 | Very high | 163 Ų | 163 | 63.4 Ų | 63.4 | 76% | 0.762 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 42.4 | 175 | -58.7 | -174.2 | 123.2 | 0 | 0 | 113.9 | F370 R371 D376 | F370-E374 PolarHBondContact O-N 2.78Å; R371-E374 PolarHBondContact O-N 3.4Å; E374-D376 PolarHBondContact O-N 2.96Å |
| 375 | I | 98.1 | Very high | 96.8 | Very high | 7 Ų | 7 | 65.1 Ų | 65.1 | 4% | 0.036 | 33% | 0.328 | C | S | . | . | trans | -78.8 | 90.8 | -171.5 | -50.7 | -173.8 | 0 | 0 | 0 | 109.9 | V351 F370 H373 A379 L380 L383 L392 | V351-I375 WeakPolarHBondContact CB-O 3.47Å; V351-I375 HydrophobicContact CG1-CG2 4.46Å; V351-I375 WeakPolarHBondContact CG1-O 3.44Å; V351-I375 WeakPolarHBondContact CG2-O 3.32Å; F370-I375 HydrophobicContact CB-CB 4.3Å; F370-I375 HydrophobicContact CB-CD1 4.42Å; F370-I375 HydrophobicContact CD1-CB 4.05Å; F370-I375 HydrophobicContact CD1-CD1 3.76Å; F370-I375 HydrophobicContact CD1-CG1 4.4Å; F370-I375 HydrophobicContact CD1-CG2 4.09Å; F370-I375 HydrophobicContact CE1-CD1 4.25Å; F370-I375 HydrophobicContact CG-CD1 4.19Å; F370-I375 PolarHBondContact O-N 2.72Å; H373-I375 HydrophobicContact CB-CD1 4.04Å; H373-I375 HydrophobicContact CB-CG1 3.82Å; H373-I375 WeakPolarHBondContact O-CG1 3.44Å; H373-I375 PolarHBondContact O-N 3.07Å; H373-I375 VanDerWaalsContact O-N 3.14Å; I375-A379 HydrophobicContact CG2-CB 3.92Å; I375-L380 HydrophobicContact CG2-CB 4.22Å; I375-L383 HydrophobicContact CD1-CD1 4.35Å; I375-L383 HydrophobicContact CG2-CD1 4.22Å; I375-L392 HydrophobicContact CD1-CD1 3.74Å; I375-L392 HydrophobicContact CD1-CD2 3.74Å; I375-L392 HydrophobicContact CD1-CG 4.4Å | ||
| 376 | D | 97.4 | Very high | 96.7 | Very high | 50 Ų | 50 | 64.8 Ų | 64.8 | 27% | 0.267 | 32% | 0.321 | S | S | . | . | trans | -69.9 | 175.7 | 169.8 | 95.5 | -51.9 | 0 | 0 | 0 | 112.3 | E374 N378 A379 L380 | E374-D376 PolarHBondContact O-N 2.96Å; D376-N378 VanDerWaalsContact C-N 3.27Å; D376-N378 VanDerWaalsContact CG-N 3.3Å; D376-N378 PolarHBondContact O-N 2.79Å; D376-N378 PolarHBondContact OD1-N 3.43Å; D376-N378 WeakPolarHBondContact OD2-CB 3.11Å; D376-N378 PolarHBondContact OD2-N 2.92Å; D376-N378 VanDerWaalsContact OD2-N 3.07Å; D376-N378 PolarHBondContact OD2-ND2 3.06Å; D376-A379 PolarHBondContact O-N 3.45Å; D376-A379 WeakPolarHBondContact OD1-CB 3.42Å; D376-A379 PolarHBondContact OD1-N 3.35Å; D376-L380 WeakPolarHBondContact O-CB 3.48Å; D376-L380 PolarHBondContact O-N 3.09Å | ||
| 377 | G | 96.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.3 | -32.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | P343 W346 L381 | P343-G377 CarbonylContact O-C 3.54Å; P343-G377 WeakPolarHBondContact O-CA 3.5Å; W346-G377 PolarHBondContact O-N 2.71Å; G377-L381 VanDerWaalsContact O-CG 3.31Å; G377-L381 WeakPolarHBondContact O-CG 3.37Å; G377-L381 PolarHBondContact O-N 2.86Å |
| 378 | N | 96.5 | Very high | 96.7 | Very high | 72 Ų | 72 | 64.2 Ų | 64.2 | 39% | 0.385 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -75.2 | -44.3 | 178.8 | -62.2 | -75.2 | 0 | 0 | 0 | 111.3 | S344 D376 L381 L382 | S344-N378 WeakPolarHBondContact CB-OD1 3.31Å; S344-N378 PolarHBondContact O-ND2 2.89Å; S344-N378 PolarHBondContact O-OD1 3.46Å; D376-N378 VanDerWaalsContact C-N 3.27Å; D376-N378 VanDerWaalsContact CG-N 3.3Å; D376-N378 PolarHBondContact O-N 2.79Å; D376-N378 PolarHBondContact OD1-N 3.43Å; D376-N378 WeakPolarHBondContact OD2-CB 3.11Å; D376-N378 PolarHBondContact OD2-N 2.92Å; D376-N378 VanDerWaalsContact OD2-N 3.07Å; D376-N378 PolarHBondContact OD2-ND2 3.06Å; N378-L381 PolarHBondContact O-N 3.32Å; N378-L382 WeakPolarHBondContact O-CG 3.26Å; N378-L382 PolarHBondContact O-N 3.38Å |
| 379 | A | 97.7 | Very high | 96.7 | Very high | 37 Ų | 37 | 62.7 Ų | 62.7 | 31% | 0.306 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I375 D376 L381 L382 L383 | I375-A379 HydrophobicContact CG2-CB 3.92Å; D376-A379 PolarHBondContact O-N 3.45Å; D376-A379 WeakPolarHBondContact OD1-CB 3.42Å; D376-A379 PolarHBondContact OD1-N 3.35Å; A379-L381 VanDerWaalsContact C-N 3.3Å; A379-L381 PolarHBondContact O-N 3.15Å; A379-L382 PolarHBondContact O-N 2.95Å; A379-L383 PolarHBondContact O-N 3.03Å; A379-L383 VanDerWaalsContact O-N 3.08Å |
| 380 | L | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -54.6 | -43.1 | 176.7 | -180 | 71.6 | 0 | 0 | 0 | 112.2 | W346 V351 F354 F370 I375 D376 L382 L383 I406 L409 | W346-L380 HydrophobicContact CE3-CD2 4.15Å; W346-L380 HydrophobicContact CZ3-CD2 4.11Å; V351-L380 HydrophobicContact CG1-CB 4.35Å; V351-L380 HydrophobicContact CG1-CD1 4.01Å; V351-L380 HydrophobicContact CG1-CD2 4.06Å; V351-L380 HydrophobicContact CG1-CG 4.36Å; V351-L380 HydrophobicContact CG2-CB 4.19Å; V351-L380 HydrophobicContact CG2-CD2 3.95Å; F354-L380 HydrophobicContact CD1-CD2 3.82Å; F354-L380 HydrophobicContact CE1-CD2 3.96Å; F370-L380 HydrophobicContact CE1-CD1 4.21Å; I375-L380 HydrophobicContact CG2-CB 4.22Å; D376-L380 WeakPolarHBondContact O-CB 3.48Å; D376-L380 PolarHBondContact O-N 3.09Å; L380-L382 VanDerWaalsContact C-N 3.28Å; L380-L382 PolarHBondContact O-N 3.42Å; L380-L383 HydrophobicContact CD1-CD1 4.31Å; L380-I406 HydrophobicContact CD1-CD1 3.72Å; L380-I406 HydrophobicContact CD1-CG1 3.83Å; L380-I406 HydrophobicContact CG-CD1 4.35Å; L380-I406 HydrophobicContact CG-CG1 4.16Å; L380-L409 HydrophobicContact CD2-CD2 4.14Å |
| 381 | L | 95.5 | Very high | 96.5 | Very high | 44 Ų | 44 | 73.7 Ų | 73.7 | 23% | 0.23 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.5 | -26.1 | 179.2 | -70.8 | 171.2 | 0 | 0 | 0 | 113.1 | P343 G377 N378 A379 K410 | P343-L381 HydrophobicContact CB-CD1 4.26Å; P343-L381 HydrophobicContact CB-CD2 4.43Å; P343-L381 HydrophobicContact CB-CG 4.49Å; G377-L381 VanDerWaalsContact O-CG 3.31Å; G377-L381 WeakPolarHBondContact O-CG 3.37Å; G377-L381 PolarHBondContact O-N 2.86Å; N378-L381 PolarHBondContact O-N 3.32Å; A379-L381 VanDerWaalsContact C-N 3.3Å; A379-L381 PolarHBondContact O-N 3.15Å; L381-K410 HydrophobicContact CD2-CG 3.72Å; L381-K410 WeakPolarHBondContact O-CE 3.43Å; L381-K410 PolarHBondContact O-NZ 3.18Å |
| 382 | L | 95.8 | Very high | 96.4 | Very high | 123 Ų | 123 | 69.6 Ų | 69.6 | 64% | 0.644 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -91.1 | -15.1 | -178.3 | -66.1 | 173.8 | 0 | 0 | 0 | 114.3 | N378 A379 L380 K384 | N378-L382 WeakPolarHBondContact O-CG 3.26Å; N378-L382 PolarHBondContact O-N 3.38Å; A379-L382 PolarHBondContact O-N 2.95Å; L380-L382 VanDerWaalsContact C-N 3.28Å; L380-L382 PolarHBondContact O-N 3.42Å; L382-K384 PolarHBondContact O-NZ 3.12Å |
| 383 | L | 95.9 | Very high | 96.3 | Very high | 22 Ų | 22 | 64.6 Ų | 64.6 | 12% | 0.115 | 34% | 0.336 | C | S | . | . | trans | -55.5 | 139.6 | 176.9 | -76.3 | 179.5 | 0 | 0 | 0 | 112.2 | F370 I375 A379 L380 M387 V388 L392 L402 I406 | F370-L383 HydrophobicContact CE1-CD1 4.4Å; I375-L383 HydrophobicContact CD1-CD1 4.35Å; I375-L383 HydrophobicContact CG2-CD1 4.22Å; A379-L383 PolarHBondContact O-N 3.03Å; A379-L383 VanDerWaalsContact O-N 3.08Å; L380-L383 HydrophobicContact CD1-CD1 4.31Å; L383-M387 HydrophobicContact CD2-CB 4.48Å; L383-V388 HydrophobicContact CB-CG2 4.1Å; L383-V388 HydrophobicContact CD1-CG2 4.12Å; L383-V388 HydrophobicContact CD2-CG2 4.2Å; L383-V388 HydrophobicContact CG-CG2 4.38Å; L383-L392 HydrophobicContact CD1-CD1 4.41Å; L383-L402 HydrophobicContact CD1-CD2 4.46Å; L383-I406 HydrophobicContact CB-CD1 4.22Å; L383-I406 HydrophobicContact CD1-CD1 4.38Å | ||
| 384 | K | 94 | Very high | 96.2 | Very high | 117 Ų | 117 | 60.9 Ų | 60.9 | 51% | 0.509 | 32% | 0.319 | S | S | . | . | trans | -125.7 | 161 | 174.6 | -63.1 | 176.8 | -159.4 | 63.9 | 0 | 109.6 | L382 D386 M387 V388 | L382-K384 PolarHBondContact O-NZ 3.12Å; K384-D386 VanDerWaalsContact C-N 3.31Å; K384-D386 WeakPolarHBondContact CB-OD1 3.26Å; K384-D386 PolarHBondContact O-N 2.87Å; K384-M387 HydrophobicContact CB-CG 4.29Å; K384-M387 HydrophobicContact CB-SD 4.28Å; K384-M387 HydrophobicContact CG-SD 4.42Å; K384-M387 PolarHBondContact O-N 3.33Å; K384-M387 VanDerWaalsContact O-N 3.12Å; K384-V388 VanDerWaalsContact O-CG2 3.29Å; K384-V388 WeakPolarHBondContact O-CG2 3.29Å; K384-V388 PolarHBondContact O-N 2.91Å | ||
| 385 | S | 94 | Very high | 96.2 | Very high | 56 Ų | 56 | 61.3 Ų | 61.3 | 39% | 0.392 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.9 | -38.5 | -175.9 | 47.6 | 0 | 0 | 0 | 0 | 113.4 | M389 | S385-M389 WeakPolarHBondContact O-CB 3.15Å; S385-M389 VanDerWaalsContact O-CG 3.26Å; S385-M389 WeakPolarHBondContact O-CG 3.38Å; S385-M389 PolarHBondContact O-N 3.38Å |
| 386 | D | 94.9 | Very high | 96.1 | Very high | 93 Ų | 93 | 65.7 Ų | 65.7 | 50% | 0.497 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 174.6 | 67.4 | -52.6 | 0 | 0 | 0 | 111.9 | K384 M389 K390 | K384-D386 VanDerWaalsContact C-N 3.31Å; K384-D386 WeakPolarHBondContact CB-OD1 3.26Å; K384-D386 PolarHBondContact O-N 2.87Å; D386-M389 PolarHBondContact O-N 3.43Å; D386-K390 WeakPolarHBondContact O-CB 3.34Å; D386-K390 PolarHBondContact O-N 3.32Å |
| 387 | M | 96.6 | Very high | 96 | Very high | 62 Ų | 62 | 65.4 Ų | 65.4 | 31% | 0.305 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 177.9 | -59.5 | 177.3 | 69.8 | 0 | 0 | 111.3 | L383 K384 Y391 | L383-M387 HydrophobicContact CD2-CB 4.48Å; K384-M387 HydrophobicContact CB-CG 4.29Å; K384-M387 HydrophobicContact CB-SD 4.28Å; K384-M387 HydrophobicContact CG-SD 4.42Å; K384-M387 PolarHBondContact O-N 3.33Å; K384-M387 VanDerWaalsContact O-N 3.12Å; M387-Y391 HydrophobicContact CB-CD2 4.16Å; M387-Y391 WeakPolarHBondContact O-CB 3.48Å; M387-Y391 PolarHBondContact O-N 3.48Å |
| 388 | V | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64 | -42.5 | 178.5 | 170 | 0 | 0 | 0 | 0 | 111.4 | L383 K384 L392 G393 L394 A399 L402 | L383-V388 HydrophobicContact CB-CG2 4.1Å; L383-V388 HydrophobicContact CD1-CG2 4.12Å; L383-V388 HydrophobicContact CD2-CG2 4.2Å; L383-V388 HydrophobicContact CG-CG2 4.38Å; K384-V388 VanDerWaalsContact O-CG2 3.29Å; K384-V388 WeakPolarHBondContact O-CG2 3.29Å; K384-V388 PolarHBondContact O-N 2.91Å; V388-L392 HydrophobicContact CG2-CD1 4.34Å; V388-L392 WeakPolarHBondContact O-CB 3.46Å; V388-L392 PolarHBondContact O-N 2.94Å; V388-G393 PolarHBondContact O-N 3.45Å; V388-L394 HydrophobicContact CG1-CB 3.84Å; V388-L394 HydrophobicContact CG1-CD2 3.85Å; V388-L394 HydrophobicContact CG1-CG 4.34Å; V388-L394 PolarHBondContact O-N 2.98Å; V388-A399 HydrophobicContact CB-CB 4.42Å; V388-A399 HydrophobicContact CG1-CB 3.66Å; V388-L402 HydrophobicContact CB-CD2 4.48Å; V388-L402 HydrophobicContact CG1-CD2 3.79Å; V388-L402 HydrophobicContact CG2-CD2 3.78Å |
| 389 | M | 97.4 | Very high | 96.1 | Very high | 78 Ų | 78 | 63.3 Ų | 63.3 | 38% | 0.384 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -72.4 | -41.8 | 177.5 | -69.6 | 174.7 | 61.1 | 0 | 0 | 112.5 | S385 D386 G393 L394 L396 A399 | S385-M389 WeakPolarHBondContact O-CB 3.15Å; S385-M389 VanDerWaalsContact O-CG 3.26Å; S385-M389 WeakPolarHBondContact O-CG 3.38Å; S385-M389 PolarHBondContact O-N 3.38Å; D386-M389 PolarHBondContact O-N 3.43Å; M389-G393 WeakPolarHBondContact O-CA 3.37Å; M389-G393 PolarHBondContact O-N 3.42Å; M389-L394 WeakPolarHBondContact CA-O 3.26Å; M389-L394 WeakPolarHBondContact CG-O 3.44Å; M389-L396 HydrophobicContact CE-CB 4.07Å; M389-L396 HydrophobicContact CE-CD1 4.09Å; M389-L396 HydrophobicContact SD-CB 4.34Å; M389-L396 HydrophobicContact SD-CD1 3.63Å; M389-A399 HydrophobicContact CG-CB 3.53Å; M389-A399 HydrophobicContact SD-CB 4.26Å |
| 390 | K | 96.4 | Very high | 96.1 | Very high | 147 Ų | 147 | 66.1 Ų | 66.1 | 64% | 0.639 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -79.6 | -43.3 | -173 | -173.8 | -178.1 | 173.8 | -163.4 | 0 | 113.8 | D386 | D386-K390 WeakPolarHBondContact O-CB 3.34Å; D386-K390 PolarHBondContact O-N 3.32Å |
| 391 | Y | 95.4 | Very high | 96 | Very high | 130 Ų | 130 | 70.2 Ų | 70.2 | 51% | 0.51 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -103.3 | -28.6 | -170.3 | -56.7 | -61.8 | 0 | 0 | 0 | 113.6 | H373 M387 | H373-Y391 PolarHBondContact CE1-O 3.19Å; M387-Y391 HydrophobicContact CB-CD2 4.16Å; M387-Y391 WeakPolarHBondContact O-CB 3.48Å; M387-Y391 PolarHBondContact O-N 3.48Å |
| 392 | L | 95.8 | Very high | 96.1 | Very high | 12 Ų | 12 | 68.2 Ų | 68.2 | 6% | 0.063 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -95.6 | -8.2 | 173.3 | -46.1 | -179.6 | 0 | 0 | 0 | 112.4 | L369 H373 I375 L383 V388 L394 | L369-L392 WeakPolarHBondContact CD1-O 3.14Å; H373-L392 HydrophobicContact CB-CD2 3.87Å; I375-L392 HydrophobicContact CD1-CD1 3.74Å; I375-L392 HydrophobicContact CD1-CD2 3.74Å; I375-L392 HydrophobicContact CD1-CG 4.4Å; L383-L392 HydrophobicContact CD1-CD1 4.41Å; V388-L392 HydrophobicContact CG2-CD1 4.34Å; V388-L392 WeakPolarHBondContact O-CB 3.46Å; V388-L392 PolarHBondContact O-N 2.94Å; L392-L394 HydrophobicContact CB-CD1 3.79Å; L392-L394 PolarHBondContact O-N 2.97Å |
| 393 | G | 94.8 | Very high | 96.2 | Very high | 60 Ų | 60 | 63.3 Ų | 63.3 | 62% | 0.619 | 33% | 0.333 | S | S | * | . | trans | 69.4 | 13.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | V388 M389 K395 | V388-G393 PolarHBondContact O-N 3.45Å; M389-G393 WeakPolarHBondContact O-CA 3.37Å; M389-G393 PolarHBondContact O-N 3.42Å; G393-K395 PolarHBondContact O-N 2.93Å | ||
| 394 | L | 96.3 | Very high | 96.2 | Very high | 5 Ų | 5 | 68.6 Ų | 68.6 | 3% | 0.026 | 35% | 0.353 | C | S | . | . | trans | -67.6 | 134.1 | 179.1 | -93.4 | 71.5 | 0 | 0 | 0 | 110.6 | L363 H366 L369 V388 M389 L392 P398 A399 L402 | L363-L394 HydrophobicContact CD2-CD2 4.41Å; H366-L394 HydrophobicContact CB-CD1 4.29Å; L369-L394 HydrophobicContact CD1-CD1 3.65Å; V388-L394 HydrophobicContact CG1-CB 3.84Å; V388-L394 HydrophobicContact CG1-CD2 3.85Å; V388-L394 HydrophobicContact CG1-CG 4.34Å; V388-L394 PolarHBondContact O-N 2.98Å; M389-L394 WeakPolarHBondContact CA-O 3.26Å; M389-L394 WeakPolarHBondContact CG-O 3.44Å; L392-L394 HydrophobicContact CB-CD1 3.79Å; L392-L394 PolarHBondContact O-N 2.97Å; L394-P398 HydrophobicContact CB-CB 4.47Å; L394-P398 HydrophobicContact CD2-CB 3.91Å; L394-P398 HydrophobicContact CG-CB 4.19Å; L394-A399 HydrophobicContact CB-CB 4.27Å; L394-L402 HydrophobicContact CD2-CD2 4.41Å | ||
| 395 | K | 96.4 | Very high | 96.3 | Very high | 172 Ų | 172 | 64.5 Ų | 64.5 | 75% | 0.748 | 34% | 0.335 | S | S | * | . | trans | -64.8 | 155.8 | 170.3 | -65.8 | 179 | -179.1 | 176.5 | 0 | 110.1 | G393 G397 P398 A399 | G393-K395 PolarHBondContact O-N 2.93Å; K395-G397 VanDerWaalsContact C-N 3.25Å; K395-G397 PolarHBondContact O-N 3.33Å; K395-G397 VanDerWaalsContact O-N 3.09Å; K395-P398 VanDerWaalsContact O-CD 3.26Å; K395-P398 WeakPolarHBondContact O-CD 3.28Å; K395-A399 WeakPolarHBondContact O-CB 3.37Å; K395-A399 PolarHBondContact O-N 3.07Å | ||
| 396 | L | 95.9 | Very high | 96.4 | Very high | 99 Ų | 99 | 61.9 Ų | 61.9 | 52% | 0.518 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -49.5 | -41 | -175.1 | -179.4 | 63.9 | 0 | 0 | 0 | 113.8 | M389 A399 L400 | M389-L396 HydrophobicContact CE-CB 4.07Å; M389-L396 HydrophobicContact CE-CD1 4.09Å; M389-L396 HydrophobicContact SD-CB 4.34Å; M389-L396 HydrophobicContact SD-CD1 3.63Å; L396-A399 PolarHBondContact O-N 3.33Å; L396-L400 HydrophobicContact CD1-CD1 3.84Å; L396-L400 HydrophobicContact CD1-CD2 4.43Å; L396-L400 HydrophobicContact CD1-CG 3.9Å; L396-L400 HydrophobicContact CG-CD1 3.88Å; L396-L400 HydrophobicContact CG-CG 4.33Å; L396-L400 WeakPolarHBondContact O-CB 3.32Å; L396-L400 VanDerWaalsContact O-CG 3.28Å; L396-L400 WeakPolarHBondContact O-CG 3.45Å; L396-L400 PolarHBondContact O-N 3.34Å |
| 397 | G | 96.4 | Very high | 96.4 | Very high | 45 Ų | 45 | 61 Ų | 61 | 46% | 0.464 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.5 | -63.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | K395 A399 L400 K401 | K395-G397 VanDerWaalsContact C-N 3.25Å; K395-G397 PolarHBondContact O-N 3.33Å; K395-G397 VanDerWaalsContact O-N 3.09Å; G397-A399 VanDerWaalsContact C-N 3.28Å; G397-A399 PolarHBondContact O-N 2.92Å; G397-L400 PolarHBondContact O-N 3.42Å; G397-K401 PolarHBondContact O-N 2.96Å; G397-K401 VanDerWaalsContact O-N 3.07Å |
| 398 | P | 96.9 | Very high | 96.3 | Very high | 27 Ų | 27 | 63.3 Ų | 63.3 | 18% | 0.175 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -51.9 | -40.9 | 170.9 | -31.1 | 36.6 | 0 | 0 | 0 | 114.1 | L363 L394 K395 K401 L402 | L363-P398 HydrophobicContact CD2-CB 4.27Å; L363-P398 WeakPolarHBondContact CD2-O 3.46Å; L394-P398 HydrophobicContact CB-CB 4.47Å; L394-P398 HydrophobicContact CD2-CB 3.91Å; L394-P398 HydrophobicContact CG-CB 4.19Å; K395-P398 VanDerWaalsContact O-CD 3.26Å; K395-P398 WeakPolarHBondContact O-CD 3.28Å; P398-K401 PolarHBondContact O-N 3.2Å; P398-L402 WeakPolarHBondContact O-CB 3.39Å; P398-L402 PolarHBondContact O-N 3.39Å |
| 399 | A | 97.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.008 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V388 M389 L394 K395 L396 G397 L402 C403 | V388-A399 HydrophobicContact CB-CB 4.42Å; V388-A399 HydrophobicContact CG1-CB 3.66Å; M389-A399 HydrophobicContact CG-CB 3.53Å; M389-A399 HydrophobicContact SD-CB 4.26Å; L394-A399 HydrophobicContact CB-CB 4.27Å; K395-A399 WeakPolarHBondContact O-CB 3.37Å; K395-A399 PolarHBondContact O-N 3.07Å; L396-A399 PolarHBondContact O-N 3.33Å; G397-A399 VanDerWaalsContact C-N 3.28Å; G397-A399 PolarHBondContact O-N 2.92Å; A399-L402 PolarHBondContact O-N 3.42Å; A399-C403 PolarHBondContact O-N 2.91Å; A399-C403 PolarHBondContact O-SG 3.41Å |
| 400 | L | 97.1 | Very high | 95.8 | Very high | 96 Ų | 96 | 64.9 Ų | 64.9 | 50% | 0.503 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.8 | -38.7 | 176.2 | -71.6 | 173 | 0 | 0 | 0 | 112.1 | L396 G397 C403 Y404 | L396-L400 HydrophobicContact CD1-CD1 3.84Å; L396-L400 HydrophobicContact CD1-CD2 4.43Å; L396-L400 HydrophobicContact CD1-CG 3.9Å; L396-L400 HydrophobicContact CG-CD1 3.88Å; L396-L400 HydrophobicContact CG-CG 4.33Å; L396-L400 WeakPolarHBondContact O-CB 3.32Å; L396-L400 VanDerWaalsContact O-CG 3.28Å; L396-L400 WeakPolarHBondContact O-CG 3.45Å; L396-L400 PolarHBondContact O-N 3.34Å; G397-L400 PolarHBondContact O-N 3.42Å; L400-C403 PolarHBondContact O-N 2.88Å; L400-Y404 PolarHBondContact O-N 3.24Å |
| 401 | K | 97.1 | Very high | 95.3 | Very high | 86 Ų | 86 | 65.3 Ų | 65.3 | 37% | 0.374 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.4 | -51.4 | 172.9 | -76.4 | -177 | 163.3 | -159 | 0 | 111.1 | D359 A362 G397 P398 C403 Y404 H405 | D359-K401 IonicContact OD1-NZ 2.78Å; D359-K401 WeakPolarHBondContact OD2-CD 3.44Å; D359-K401 WeakPolarHBondContact OD2-CE 3.46Å; D359-K401 IonicContact OD2-NZ 3.07Å; D359-K401 PolarHBondContact OD2-NZ 3.21Å; A362-K401 HydrophobicContact CB-CD 3.67Å; A362-K401 VanDerWaalsContact CB-NZ 3.3Å; G397-K401 PolarHBondContact O-N 2.96Å; G397-K401 VanDerWaalsContact O-N 3.07Å; P398-K401 PolarHBondContact O-N 3.2Å; K401-C403 VanDerWaalsContact C-N 3.32Å; K401-C403 PolarHBondContact O-N 2.66Å; K401-Y404 WeakPolarHBondContact O-CB 3.42Å; K401-Y404 PolarHBondContact O-N 2.87Å; K401-Y404 VanDerWaalsContact O-N 3.16Å; K401-H405 PolarHBondContact O-CD2 3.1Å; K401-H405 PolarHBondContact O-N 3.19Å |
| 402 | L | 97.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.3 | -47.5 | 178.3 | -178 | 68.5 | 0 | 0 | 0 | 111.6 | V355 L363 F370 L383 V388 L394 P398 A399 Y404 H405 I406 | V355-L402 HydrophobicContact CG1-CD1 4.46Å; V355-L402 HydrophobicContact CG2-CD1 4.03Å; L363-L402 HydrophobicContact CD1-CB 4.42Å; L363-L402 HydrophobicContact CD1-CD1 4.26Å; L363-L402 HydrophobicContact CD2-CB 4.03Å; F370-L402 HydrophobicContact CE1-CD1 4.1Å; F370-L402 HydrophobicContact CE1-CD2 4.11Å; F370-L402 HydrophobicContact CZ-CD1 3.71Å; F370-L402 HydrophobicContact CZ-CD2 3.63Å; F370-L402 HydrophobicContact CZ-CG 4.33Å; L383-L402 HydrophobicContact CD1-CD2 4.46Å; V388-L402 HydrophobicContact CB-CD2 4.48Å; V388-L402 HydrophobicContact CG1-CD2 3.79Å; V388-L402 HydrophobicContact CG2-CD2 3.78Å; L394-L402 HydrophobicContact CD2-CD2 4.41Å; P398-L402 WeakPolarHBondContact O-CB 3.39Å; P398-L402 PolarHBondContact O-N 3.39Å; A399-L402 PolarHBondContact O-N 3.42Å; L402-Y404 PolarHBondContact O-N 3.42Å; L402-H405 PolarHBondContact O-N 3.15Å; L402-H405 VanDerWaalsContact O-N 3.15Å; L402-I406 HydrophobicContact CD1-CD1 4.19Å; L402-I406 HydrophobicContact CD2-CD1 4.33Å; L402-I406 HydrophobicContact CG-CD1 3.78Å; L402-I406 HydrophobicContact CG-CG1 4.49Å; L402-I406 WeakPolarHBondContact O-CG1 3.36Å; L402-I406 PolarHBondContact O-N 3.49Å |
| 403 | C | 96.6 | Very high | 92.7 | Very high | 21 Ų | 21 | 69.8 Ų | 69.8 | 14% | 0.142 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.6 | -44.8 | 177.4 | -63.9 | 0 | 0 | 0 | 0 | 112.1 | A399 L400 K401 H405 I406 D407 | A399-C403 PolarHBondContact O-N 2.91Å; A399-C403 PolarHBondContact O-SG 3.41Å; L400-C403 PolarHBondContact O-N 2.88Å; K401-C403 VanDerWaalsContact C-N 3.32Å; K401-C403 PolarHBondContact O-N 2.66Å; C403-H405 VanDerWaalsContact C-N 3.29Å; C403-H405 PolarHBondContact O-N 2.97Å; C403-I406 PolarHBondContact O-N 3.09Å; C403-D407 PolarHBondContact O-N 3.05Å |
| 404 | Y | 96.8 | Very high | 90.8 | Very high | 133 Ų | 133 | 72.1 Ų | 72.1 | 52% | 0.522 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -56.5 | -41.7 | 174.5 | 166.2 | -94.1 | 0 | 0 | 0 | 112.5 | L400 K401 L402 K408 | L400-Y404 PolarHBondContact O-N 3.24Å; K401-Y404 WeakPolarHBondContact O-CB 3.42Å; K401-Y404 PolarHBondContact O-N 2.87Å; K401-Y404 VanDerWaalsContact O-N 3.16Å; L402-Y404 PolarHBondContact O-N 3.42Å; Y404-K408 HydrophobicContact CE1-CD 3.95Å; Y404-K408 WeakPolarHBondContact O-CB 3.46Å; Y404-K408 PolarHBondContact O-N 3.48Å; Y404-K408 PolarHBondContact OH-NZ 2.79Å |
| 405 | H | 96.5 | Very high | 90.5 | Very high | 31 Ų | 31 | 75.5 Ų | 75.5 | 14% | 0.144 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -70.2 | -38.7 | 177.5 | -73.8 | -80.5 | 0 | 0 | 0 | 112.5 | F354 A358 K401 L402 C403 K408 L409 | F354-H405 HydrophobicContact CZ-CB 4.07Å; A358-H405 HydrophobicContact CB-CB 4.14Å; A358-H405 PolarHBondContact O-CE1 3.46Å; A358-H405 PolarHBondContact O-NE2 3.27Å; K401-H405 PolarHBondContact O-CD2 3.1Å; K401-H405 PolarHBondContact O-N 3.19Å; L402-H405 PolarHBondContact O-N 3.15Å; L402-H405 VanDerWaalsContact O-N 3.15Å; C403-H405 VanDerWaalsContact C-N 3.29Å; C403-H405 PolarHBondContact O-N 2.97Å; H405-K408 PolarHBondContact O-N 3.21Å; H405-L409 WeakPolarHBondContact O-CB 3.48Å; H405-L409 PolarHBondContact O-N 3.41Å |
| 406 | I | 95.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 175.1 | -68.2 | 166.6 | 0 | 0 | 0 | 111.4 | L380 L383 L402 C403 L409 K410 | L380-I406 HydrophobicContact CD1-CD1 3.72Å; L380-I406 HydrophobicContact CD1-CG1 3.83Å; L380-I406 HydrophobicContact CG-CD1 4.35Å; L380-I406 HydrophobicContact CG-CG1 4.16Å; L383-I406 HydrophobicContact CB-CD1 4.22Å; L383-I406 HydrophobicContact CD1-CD1 4.38Å; L402-I406 HydrophobicContact CD1-CD1 4.19Å; L402-I406 HydrophobicContact CD2-CD1 4.33Å; L402-I406 HydrophobicContact CG-CD1 3.78Å; L402-I406 HydrophobicContact CG-CG1 4.49Å; L402-I406 WeakPolarHBondContact O-CG1 3.36Å; L402-I406 PolarHBondContact O-N 3.49Å; C403-I406 PolarHBondContact O-N 3.09Å; I406-L409 VanDerWaalsContact O-CB 3.31Å; I406-L409 WeakPolarHBondContact O-CB 3.36Å; I406-L409 PolarHBondContact O-N 2.89Å; I406-K410 HydrophobicContact CG2-CD 4.27Å; I406-K410 VanDerWaalsContact CG2-CE 3.48Å; I406-K410 WeakPolarHBondContact O-CG 3.41Å; I406-K410 PolarHBondContact O-N 2.97Å |
| 407 | D | 95.1 | Very high | 89.9 | Confident | 74 Ų | 74 | 68.8 Ų | 68.8 | 40% | 0.396 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -72.6 | -34.5 | 179.4 | -68.7 | -22.9 | 0 | 0 | 0 | 112.1 | C403 L409 K410 Q411 | C403-D407 PolarHBondContact O-N 3.05Å; D407-L409 VanDerWaalsContact C-N 3.28Å; D407-L409 PolarHBondContact O-N 2.87Å; D407-K410 PolarHBondContact O-N 3.22Å; D407-K410 IonicContact OD1-NZ 2.68Å; D407-K410 PolarHBondContact OD1-NZ 3.4Å; D407-Q411 VanDerWaalsContact O-CG 3.26Å; D407-Q411 WeakPolarHBondContact O-CG 3.43Å; D407-Q411 PolarHBondContact O-N 2.8Å |
| 408 | K | 93.8 | Very high | 89.5 | Confident | 111 Ų | 111 | 70.2 Ų | 70.2 | 48% | 0.483 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.8 | -31.8 | 169.4 | -174.2 | 177.7 | -170.9 | 168.5 | 0 | 112.5 | Y404 H405 A412 | Y404-K408 HydrophobicContact CE1-CD 3.95Å; Y404-K408 WeakPolarHBondContact O-CB 3.46Å; Y404-K408 PolarHBondContact O-N 3.48Å; Y404-K408 PolarHBondContact OH-NZ 2.79Å; H405-K408 PolarHBondContact O-N 3.21Å; K408-A412 PolarHBondContact O-N 3.13Å |
| 409 | L | 92.7 | Very high | 89.1 | Confident | 16 Ų | 16 | 72.9 Ų | 72.9 | 8% | 0.084 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68 | -52.4 | 172 | -171.4 | 71.9 | 0 | 0 | 0 | 110.1 | P343 W346 F354 L380 H405 I406 D407 Q411 A412 F414 | P343-L409 HydrophobicContact CB-CD2 3.93Å; P343-L409 HydrophobicContact CB-CG 4.47Å; P343-L409 HydrophobicContact CG-CD1 3.96Å; P343-L409 HydrophobicContact CG-CD2 3.74Å; P343-L409 HydrophobicContact CG-CG 3.75Å; W346-L409 HydrophobicContact CE3-CD2 4.42Å; W346-L409 HydrophobicContact CH2-CD1 3.53Å; W346-L409 HydrophobicContact CH2-CD2 3.84Å; W346-L409 HydrophobicContact CH2-CG 4.33Å; W346-L409 HydrophobicContact CZ2-CD1 4.29Å; W346-L409 HydrophobicContact CZ3-CD1 4.15Å; W346-L409 HydrophobicContact CZ3-CD2 3.56Å; F354-L409 HydrophobicContact CD2-CD1 4.4Å; F354-L409 HydrophobicContact CE1-CD2 4.19Å; F354-L409 HydrophobicContact CE2-CB 4.42Å; F354-L409 HydrophobicContact CE2-CD1 3.89Å; F354-L409 HydrophobicContact CE2-CD2 4.27Å; F354-L409 HydrophobicContact CE2-CG 4.43Å; F354-L409 HydrophobicContact CZ-CB 4.1Å; F354-L409 HydrophobicContact CZ-CD1 4.31Å; F354-L409 HydrophobicContact CZ-CD2 3.96Å; F354-L409 HydrophobicContact CZ-CG 4.36Å; L380-L409 HydrophobicContact CD2-CD2 4.14Å; H405-L409 WeakPolarHBondContact O-CB 3.48Å; H405-L409 PolarHBondContact O-N 3.41Å; I406-L409 VanDerWaalsContact O-CB 3.31Å; I406-L409 WeakPolarHBondContact O-CB 3.36Å; I406-L409 PolarHBondContact O-N 2.89Å; D407-L409 VanDerWaalsContact C-N 3.28Å; D407-L409 PolarHBondContact O-N 2.87Å; L409-Q411 PolarHBondContact O-N 2.74Å; L409-A412 WeakPolarHBondContact O-CB 3.38Å; L409-A412 PolarHBondContact O-N 3.38Å; L409-F414 HydrophobicContact CD1-CE1 4.21Å; L409-F414 HydrophobicContact CD1-CZ 3.66Å; L409-F414 HydrophobicContact CG-CZ 3.89Å; L409-F414 VanDerWaalsContact O-CE2 3.25Å; L409-F414 WeakPolarHBondContact O-CE2 3.23Å; L409-F414 WeakPolarHBondContact O-CZ 3.12Å |
| 410 | K | 90.6 | Very high | 88.5 | Confident | 94 Ų | 94 | 77.7 Ų | 77.7 | 41% | 0.409 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -54.8 | -34 | 176.1 | -69.9 | 165.6 | -174.1 | 163.8 | 0 | 113.8 | L381 I406 D407 | L381-K410 HydrophobicContact CD2-CG 3.72Å; L381-K410 WeakPolarHBondContact O-CE 3.43Å; L381-K410 PolarHBondContact O-NZ 3.18Å; I406-K410 HydrophobicContact CG2-CD 4.27Å; I406-K410 VanDerWaalsContact CG2-CE 3.48Å; I406-K410 WeakPolarHBondContact O-CG 3.41Å; I406-K410 PolarHBondContact O-N 2.97Å; D407-K410 PolarHBondContact O-N 3.22Å; D407-K410 IonicContact OD1-NZ 2.68Å; D407-K410 PolarHBondContact OD1-NZ 3.4Å |
| 411 | Q | 86.9 | Confident | 87.9 | Confident | 157 Ų | 157 | 76.4 Ų | 76.4 | 73% | 0.734 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -17.1 | 178.3 | -72.6 | 171.5 | 36.3 | 0 | 0 | 114.2 | D407 L409 K413 | D407-Q411 VanDerWaalsContact O-CG 3.26Å; D407-Q411 WeakPolarHBondContact O-CG 3.43Å; D407-Q411 PolarHBondContact O-N 2.8Å; L409-Q411 PolarHBondContact O-N 2.74Å; Q411-K413 PolarHBondContact O-N 3.48Å |
| 412 | A | 78.1 | Confident | 87.2 | Confident | 40 Ų | 40 | 75.6 Ų | 75.6 | 33% | 0.331 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -76.5 | 112.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | K408 L409 F414 | K408-A412 PolarHBondContact O-N 3.13Å; L409-A412 WeakPolarHBondContact O-CB 3.38Å; L409-A412 PolarHBondContact O-N 3.38Å; A412-F414 HydrophobicContact CB-CE1 3.94Å; A412-F414 HydrophobicContact CB-CE2 4.46Å; A412-F414 HydrophobicContact CB-CZ 3.83Å; A412-F414 WeakPolarHBondContact O-CD2 3.26Å; A412-F414 WeakPolarHBondContact O-CE2 3.17Å; A412-F414 WeakPolarHBondContact O-CZ 3.4Å; A412-F414 PolarHBondContact O-N 3.39Å |
| 413 | K | 57.5 | Low | 86.3 | Confident | 195 Ų | 195 | 81.8 Ų | 81.8 | 85% | 0.848 | 38% | 0.381 | S | S | * | . | trans | -63.8 | 118.7 | 169.3 | -65.7 | -172.5 | 177.2 | -172 | 0 | 108.8 | R341 Q411 | R341-K413 PolarHBondContact NH2-O 3.33Å; Q411-K413 PolarHBondContact O-N 3.48Å | ||
| 414 | F | 55.5 | Low | 85.4 | Confident | 109 Ų | 109 | 87.4 Ų | 87.4 | 48% | 0.478 | 40% | 0.403 | S | S | . | . | trans | -87 | 0 | -177.8 | -63.2 | -64.8 | 0 | 0 | 0 | 110.8 | R341 P343 L409 A412 | R341-F414 HydrophobicContact CG-CD1 4.22Å; R341-F414 PolarHBondContact NH1-OXT 2.59Å; R341-F414 WeakPolarHBondContact O-CD1 3.18Å; R341-F414 WeakPolarHBondContact O-CE1 3.3Å; P343-F414 HydrophobicContact CG-CD2 4.1Å; P343-F414 HydrophobicContact CG-CE1 4.04Å; P343-F414 HydrophobicContact CG-CE2 3.47Å; P343-F414 VanDerWaalsContact CG-CE2 3.47Å; P343-F414 HydrophobicContact CG-CZ 3.44Å; P343-F414 VanDerWaalsContact CG-CZ 3.44Å; L409-F414 HydrophobicContact CD1-CE1 4.21Å; L409-F414 HydrophobicContact CD1-CZ 3.66Å; L409-F414 HydrophobicContact CG-CZ 3.89Å; L409-F414 VanDerWaalsContact O-CE2 3.25Å; L409-F414 WeakPolarHBondContact O-CE2 3.23Å; L409-F414 WeakPolarHBondContact O-CZ 3.12Å; A412-F414 HydrophobicContact CB-CE1 3.94Å; A412-F414 HydrophobicContact CB-CE2 4.46Å; A412-F414 HydrophobicContact CB-CZ 3.83Å; A412-F414 WeakPolarHBondContact O-CD2 3.26Å; A412-F414 WeakPolarHBondContact O-CE2 3.17Å; A412-F414 WeakPolarHBondContact O-CZ 3.4Å; A412-F414 PolarHBondContact O-N 3.39Å |
Retrieved 414 of 414 residues in 84.3 ms
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