| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 32.4 | Very low | 33 | Very low | 250 Ų | 250 | 146 Ų | 146 | 100% | 1.232 | 86% | 0.859 | S | S | * | * | 0 | 124.7 | 0 | -64.8 | -169.4 | -99.6 | 0 | 0 | 106.5 | |||||
| 2 | A | 33.9 | Very low | 32.5 | Very low | 103 Ų | 103 | 148.2 Ų | 148.2 | 85% | 0.851 | 86% | 0.858 | S | S | * | * | cis | -145.1 | 150.9 | 2.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 3 | V | 37.4 | Very low | 32 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 76% | 0.764 | 85% | 0.846 | S | S | * | * | trans | -91.9 | 139.8 | 175.8 | 168.8 | 0 | 0 | 0 | 0 | 107.8 | R5 | V3-R5 HydrophobicContact CG1-CG 3.92Š| ||
| 4 | S | 32.6 | Very low | 31.6 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 86% | 0.86 | 84% | 0.842 | S | S | * | * | trans | -131.8 | 100.3 | 158.3 | 62.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 5 | R | 39.6 | Very low | 31.4 | Very low | 233 Ų | 233 | 140.3 Ų | 140.3 | 88% | 0.879 | 84% | 0.843 | S | S | * | * | trans | -85.9 | 120.6 | 165.2 | -74.1 | 175.9 | 162.7 | 179.8 | -5.2 | 107.6 | V3 G7 | V3-R5 HydrophobicContact CG1-CG 3.92Å; R5-G7 PolarHBondContact O-N 3.29Å | ||
| 6 | G | 33.5 | Very low | 31.4 | Very low | 86 Ų | 86 | 138.6 Ų | 138.6 | 89% | 0.887 | 84% | 0.838 | S | S | * | * | trans | -83 | 102.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 7 | G | 32.8 | Very low | 31.2 | Very low | 75 Ų | 75 | 136.6 Ų | 136.6 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | trans | -98 | 129.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | R5 | R5-G7 PolarHBondContact O-N 3.29Š| ||
| 8 | V | 33.8 | Very low | 31.4 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 86% | 0.855 | 84% | 0.836 | S | S | * | * | trans | -91.3 | 114.8 | 167.8 | 177.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 9 | A | 31.2 | Very low | 31.5 | Very low | 77 Ų | 77 | 138.1 Ų | 138.1 | 64% | 0.636 | 83% | 0.831 | S | S | * | * | trans | -97.9 | 120.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 10 | L | 27.2 | Very low | 31.7 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 81% | 0.812 | 84% | 0.836 | S | S | * | * | trans | -94.8 | 104.5 | 173.3 | -130 | 133.3 | 0 | 0 | 0 | 107.7 | ||||
| 11 | W | 28.2 | Very low | 31.9 | Very low | 237 Ų | 237 | 148.7 Ų | 148.7 | 90% | 0.898 | 84% | 0.842 | S | S | * | * | trans | -80.7 | 112.5 | 172.7 | -80.6 | 72.6 | 0 | 0 | 0 | 108.7 | ||||
| 12 | M | 27.6 | Very low | 32 | Very low | 172 Ų | 172 | 148 Ų | 148 | 85% | 0.847 | 83% | 0.825 | S | S | * | * | trans | -98.1 | 99.2 | 167.6 | -164.1 | 163.3 | -102 | 0 | 0 | 107.4 | C14 | M12-C14 PolarHBondContact O-N 2.98Š| ||
| 13 | G | 25.4 | Very low | 32.1 | Very low | 69 Ų | 69 | 149.1 Ų | 149.1 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | trans | -77.9 | 112.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V15 | G13-V15 PolarHBondContact O-N 3.1Š| ||
| 14 | C | 27.2 | Very low | 31.9 | Very low | 116 Ų | 116 | 150.7 Ų | 150.7 | 78% | 0.784 | 83% | 0.827 | S | S | * | * | trans | -77.8 | 111.7 | 163.2 | -80 | 0 | 0 | 0 | 0 | 109.1 | M12 C16 | M12-C14 PolarHBondContact O-N 2.98Å; C14-C16 PolarHBondContact O-N 2.66Å | ||
| 15 | V | 28.8 | Very low | 32.1 | Very low | 142 Ų | 142 | 153.7 Ų | 153.7 | 86% | 0.861 | 83% | 0.827 | S | S | * | * | trans | -83.4 | 98.2 | 164.3 | 178.7 | 0 | 0 | 0 | 0 | 107.5 | G13 S17 | G13-V15 PolarHBondContact O-N 3.1Å; V15-S17 PolarHBondContact O-N 2.68Å | ||
| 16 | C | 30.8 | Very low | 31.6 | Very low | 112 Ų | 112 | 153.8 Ų | 153.8 | 76% | 0.757 | 83% | 0.827 | S | S | * | * | trans | -81.4 | 104.1 | 168.6 | -66.3 | 0 | 0 | 0 | 0 | 109 | C14 Q18 | C14-C16 PolarHBondContact O-N 2.66Å; C16-Q18 PolarHBondContact O-N 3.41Å | ||
| 17 | S | 27.8 | Very low | 31.3 | Very low | 105 Ų | 105 | 161.1 Ų | 161.1 | 73% | 0.734 | 83% | 0.828 | S | S | * | * | trans | -77.4 | 115.4 | 165.1 | 60.2 | 0 | 0 | 0 | 0 | 109.1 | V15 S19 | V15-S17 PolarHBondContact O-N 2.68Å; S17-S19 PolarHBondContact O-N 3.23Å | ||
| 18 | Q | 36 | Very low | 31.1 | Very low | 195 Ų | 195 | 163 Ų | 163 | 91% | 0.911 | 83% | 0.83 | S | S | * | * | trans | -80.2 | 105.1 | 169.8 | -76.5 | -178.4 | 4.7 | 0 | 0 | 109.2 | C16 | C16-Q18 PolarHBondContact O-N 3.41Š| ||
| 19 | S | 31.6 | Very low | 30.8 | Very low | 106 Ų | 106 | 167.1 Ų | 167.1 | 74% | 0.741 | 83% | 0.83 | S | S | * | * | trans | -119.5 | 99.9 | 163.6 | 38.3 | 0 | 0 | 0 | 0 | 110 | S17 R21 | S17-S19 PolarHBondContact O-N 3.23Å; S19-R21 PolarHBondContact O-N 3.28Å | ||
| 20 | R | 35.7 | Very low | 30.6 | Very low | 247 Ų | 247 | 169.3 Ų | 169.3 | 93% | 0.932 | 84% | 0.841 | S | S | * | * | trans | -60.2 | 119.1 | 164.4 | -77 | 178.7 | 174.5 | -167.9 | -1.7 | 109.8 | ||||
| 21 | R | 36.8 | Very low | 30.6 | Very low | 252 Ų | 252 | 169.6 Ų | 169.6 | 95% | 0.951 | 84% | 0.842 | S | S | * | * | trans | -147.3 | 147.2 | 145.5 | -71.1 | -160.9 | -163.5 | -162.4 | 6.1 | 111.4 | S19 | S19-R21 PolarHBondContact O-N 3.28Š| ||
| 22 | R | 34.8 | Very low | 30.7 | Very low | 235 Ų | 235 | 163 Ų | 163 | 89% | 0.887 | 83% | 0.832 | S | S | * | * | trans | -73.1 | 163.6 | -164.2 | -74.2 | -179.9 | 177.4 | -173.4 | -0.9 | 114.7 | ||||
| 23 | P | 35.5 | Very low | 30.8 | Very low | 127 Ų | 127 | 163.9 Ų | 163.9 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | trans | -78.5 | 134.5 | 178.8 | 33.2 | -32.7 | 0 | 0 | 0 | 110.7 | ||||
| 24 | I | 32.8 | Very low | 30.9 | Very low | 160 Ų | 160 | 167 Ų | 167 | 82% | 0.821 | 84% | 0.84 | S | S | * | * | trans | -114 | 106.4 | 165.5 | -65.3 | 176.6 | 0 | 0 | 0 | 107.7 | ||||
| 25 | Q | 37.6 | Very low | 30.9 | Very low | 186 Ų | 186 | 171.2 Ų | 171.2 | 87% | 0.869 | 85% | 0.845 | S | S | * | * | trans | -69 | 119.9 | 165.3 | -173.3 | -177.4 | 9.2 | 0 | 0 | 108.2 | ||||
| 26 | R | 28.1 | Very low | 30.6 | Very low | 235 Ų | 235 | 172.1 Ų | 172.1 | 89% | 0.887 | 84% | 0.839 | S | S | * | * | trans | -158.2 | 117.1 | 152.6 | -109.3 | 170 | -154.5 | -171.8 | 5 | 110.4 | ||||
| 27 | W | 27.6 | Very low | 30.3 | Very low | 239 Ų | 239 | 176.1 Ų | 176.1 | 91% | 0.905 | 84% | 0.839 | S | S | * | * | trans | -89.6 | 123.3 | 172.5 | -156.3 | 37.7 | 0 | 0 | 0 | 106.6 | ||||
| 28 | S | 27.9 | Very low | 30.3 | Very low | 115 Ų | 115 | 179.7 Ų | 179.7 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | trans | -150.4 | 119.8 | 163.5 | 58.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 29 | R | 27.9 | Very low | 29.8 | Very low | 227 Ų | 227 | 180 Ų | 180 | 86% | 0.857 | 84% | 0.837 | S | S | * | * | trans | -81.8 | 131.8 | 167.6 | -71.2 | 178.6 | 169.6 | 179.3 | -3.7 | 108.8 | ||||
| 30 | S | 27.1 | Very low | 29.6 | Very low | 124 Ų | 124 | 184 Ų | 184 | 87% | 0.867 | 85% | 0.846 | S | S | * | * | trans | -149.2 | 137.8 | 144.8 | 69.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 31 | L | 28.1 | Very low | 29.2 | Very low | 161 Ų | 161 | 177 Ų | 177 | 84% | 0.843 | 83% | 0.834 | S | S | * | * | trans | -74.4 | 151.4 | -176.1 | -99.9 | 125 | 0 | 0 | 0 | 113 | ||||
| 32 | S | 30.2 | Very low | 28.6 | Very low | 98 Ų | 98 | 176.9 Ų | 176.9 | 69% | 0.685 | 83% | 0.834 | S | S | * | * | trans | 71.7 | 115.4 | 147.2 | -49.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 33 | Q | 29.3 | Very low | 28.5 | Very low | 191 Ų | 191 | 170 Ų | 170 | 89% | 0.893 | 83% | 0.827 | S | S | * | * | -173.6 | 151.7 | 110.7 | -102.1 | 173.3 | 1.5 | 0 | 0 | 113.3 | |||||
| 34 | V | 27.5 | Very low | 28.1 | Very low | 135 Ų | 135 | 170 Ų | 170 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -72.4 | 144.4 | -173.5 | 171.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 35 | F | 26.3 | Very low | 27.9 | Very low | 203 Ų | 203 | 168.3 Ų | 168.3 | 89% | 0.89 | 83% | 0.828 | S | S | * | * | trans | -132.2 | 134.1 | 167.9 | -100 | -88.4 | 0 | 0 | 0 | 112 | ||||
| 36 | H | 23.1 | Very low | 27.6 | Very low | 161 Ų | 161 | 168.1 Ų | 168.1 | 75% | 0.745 | 83% | 0.832 | S | S | * | * | trans | -114.9 | 132.1 | -176.5 | -166.2 | -65.1 | 0 | 0 | 0 | 107 | ||||
| 37 | W | 25.3 | Very low | 27.4 | Very low | 197 Ų | 197 | 162.7 Ų | 162.7 | 75% | 0.746 | 83% | 0.83 | S | S | * | * | trans | -116.1 | 131.2 | -177.3 | -158.8 | -81 | 0 | 0 | 0 | 110.3 | W39 | W37-W39 AromaticContact NE1-CD1 3.68Š| ||
| 38 | Q | 26.9 | Very low | 27.6 | Very low | 179 Ų | 179 | 156.6 Ų | 156.6 | 84% | 0.836 | 82% | 0.824 | S | S | * | * | trans | -130 | 128.7 | 179.7 | -130 | 173.7 | -0.1 | 0 | 0 | 108.1 | ||||
| 39 | W | 26.2 | Very low | 27.6 | Very low | 202 Ų | 202 | 155.6 Ų | 155.6 | 77% | 0.765 | 82% | 0.822 | S | S | * | * | trans | -107.8 | 140.4 | -170.9 | -127.7 | 31 | 0 | 0 | 0 | 110.4 | W37 | W37-W39 AromaticContact NE1-CD1 3.68Š| ||
| 40 | M | 26.4 | Very low | 27.7 | Very low | 189 Ų | 189 | 149.2 Ų | 149.2 | 93% | 0.931 | 82% | 0.818 | S | S | * | * | trans | -140.2 | 113.9 | 168.8 | -85.1 | -83.1 | -77.6 | 0 | 0 | 109.3 | ||||
| 41 | C | 27.7 | Very low | 28 | Very low | 102 Ų | 102 | 155.6 Ų | 155.6 | 69% | 0.689 | 82% | 0.823 | S | S | * | * | trans | -91.6 | 146.8 | 171.4 | -61.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 42 | R | 24.5 | Very low | 28.1 | Very low | 249 Ų | 249 | 152.4 Ų | 152.4 | 94% | 0.94 | 82% | 0.821 | S | S | * | * | trans | -152.5 | 116.4 | 150.8 | -121.3 | 180 | -175.3 | -163 | 1.1 | 113.7 | ||||
| 43 | A | 32.2 | Very low | 28.4 | Very low | 91 Ų | 91 | 156.5 Ų | 156.5 | 75% | 0.752 | 83% | 0.834 | S | S | * | * | trans | 12 | 136.2 | 152.5 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 44 | C | 27.4 | Very low | 28.5 | Very low | 125 Ų | 125 | 151.9 Ų | 151.9 | 85% | 0.845 | 83% | 0.828 | S | S | * | * | 170.1 | 169 | 117.7 | -81.6 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 45 | P | 27.8 | Very low | 28.9 | Very low | 126 Ų | 126 | 151.2 Ų | 151.2 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | -120.7 | 169.8 | -68.1 | 32.8 | -14.2 | 0 | 0 | 0 | 113.2 | |||||
| 46 | L | 31.4 | Very low | 29.6 | Very low | 181 Ų | 181 | 146.7 Ų | 146.7 | 95% | 0.948 | 82% | 0.818 | S | S | * | * | trans | -73.3 | 141.2 | -174.8 | -70 | 149.6 | 0 | 0 | 0 | 114.2 | ||||
| 47 | S | 25.4 | Very low | 30.1 | Very low | 122 Ų | 122 | 146.7 Ų | 146.7 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | trans | -141.4 | 106 | 152.5 | -169.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 48 | S | 30.2 | Very low | 30.4 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 78% | 0.776 | 83% | 0.828 | S | S | * | * | trans | -11.7 | 121.9 | 161.3 | 163 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 49 | A | 29.2 | Very low | 30.8 | Very low | 93 Ų | 93 | 142.5 Ų | 142.5 | 77% | 0.769 | 83% | 0.83 | S | S | * | * | trans | -129.8 | 105.4 | 149.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 50 | A | 29.6 | Very low | 31.1 | Very low | 93 Ų | 93 | 145 Ų | 145 | 77% | 0.769 | 84% | 0.839 | S | S | * | * | trans | -78.8 | 131.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 51 | W | 32.5 | Very low | 31.3 | Very low | 258 Ų | 258 | 145.9 Ų | 145.9 | 98% | 0.977 | 83% | 0.833 | S | S | * | * | trans | -86.5 | 114.3 | 170.1 | -73.1 | 79.2 | 0 | 0 | 0 | 109.1 | ||||
| 52 | A | 31 | Very low | 31.5 | Very low | 95 Ų | 95 | 147.9 Ų | 147.9 | 79% | 0.785 | 83% | 0.833 | S | S | * | * | trans | -130.3 | 115.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 53 | L | 35.5 | Very low | 31.7 | Very low | 183 Ų | 183 | 144.3 Ų | 144.3 | 96% | 0.958 | 82% | 0.824 | S | S | * | * | trans | -66.2 | 132.1 | 168.8 | -71.4 | 157.7 | 0 | 0 | 0 | 109.1 | ||||
| 54 | A | 32.3 | Very low | 32 | Very low | 94 Ų | 94 | 145.8 Ų | 145.8 | 78% | 0.777 | 83% | 0.826 | S | S | * | * | trans | -124 | 136.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 55 | P | 35.2 | Very low | 32 | Very low | 121 Ų | 121 | 152 Ų | 152 | 79% | 0.786 | 83% | 0.832 | S | S | * | * | trans | -84.4 | 168.2 | -173.2 | 34.9 | -35.2 | 0 | 0 | 0 | 113.3 | ||||
| 56 | P | 42.1 | Very low | 32.2 | Very low | 109 Ų | 109 | 154.8 Ų | 154.8 | 71% | 0.708 | 83% | 0.834 | S | S | * | * | trans | -87.5 | 157.9 | -168.3 | 35.2 | -32.4 | 0 | 0 | 0 | 113 | ||||
| 57 | N | 32.9 | Very low | 32.8 | Very low | 160 Ų | 160 | 151.1 Ų | 151.1 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | trans | 107.6 | 101.6 | 166.9 | -58.6 | -33.3 | 0 | 0 | 0 | 115.6 | ||||
| 58 | S | 33.2 | Very low | 32.9 | Very low | 122 Ų | 122 | 153.2 Ų | 153.2 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | -174.6 | 129.9 | 114.4 | 62.7 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 59 | L | 35.3 | Very low | 32.8 | Very low | 167 Ų | 167 | 154.9 Ų | 154.9 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -57.1 | 139 | 173.1 | -67.9 | 149.8 | 0 | 0 | 0 | 112.1 | ||||
| 60 | R | 32.1 | Very low | 32.7 | Very low | 254 Ų | 254 | 158.8 Ų | 158.8 | 96% | 0.958 | 82% | 0.823 | S | S | * | * | trans | -161.5 | 145.5 | 139.2 | -110.6 | 172.2 | -160.4 | -156.6 | 6 | 113 | ||||
| 61 | Y | 29.5 | Very low | 32.6 | Very low | 207 Ų | 207 | 162.3 Ų | 162.3 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | trans | -79.7 | 159.9 | -161 | -102.4 | -87.4 | 0 | 0 | 0 | 116.4 | ||||
| 62 | Q | 32.6 | Very low | 33 | Very low | 144 Ų | 144 | 154.9 Ų | 154.9 | 67% | 0.673 | 81% | 0.808 | S | S | * | * | trans | 73.5 | 140.2 | 149 | -72.3 | 178.4 | 37.8 | 0 | 0 | 117.3 | ||||
| 63 | K | 29.4 | Very low | 32.9 | Very low | 175 Ų | 175 | 156.6 Ų | 156.6 | 76% | 0.761 | 80% | 0.804 | S | S | * | * | cis | -165 | 155.7 | 18.2 | -124 | 164.2 | -177.1 | 167.1 | 0 | 108.3 | ||||
| 64 | P | 38.7 | Very low | 32.5 | Very low | 122 Ų | 122 | 156.6 Ų | 156.6 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | -94.2 | 147.4 | -176.9 | 36 | -30.1 | 0 | 0 | 0 | 112.6 | ||||
| 65 | R | 27.5 | Very low | 32.2 | Very low | 255 Ų | 255 | 160.8 Ų | 160.8 | 96% | 0.962 | 80% | 0.801 | S | S | * | * | trans | -147.7 | 112.3 | 156.6 | -107.3 | -177.6 | -179.1 | 169.2 | -0.2 | 110.1 | ||||
| 66 | Q | 31.9 | Very low | 32.6 | Very low | 185 Ų | 185 | 159.4 Ų | 159.4 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -104.4 | 178.5 | 152.8 | -86.6 | -174 | -8.7 | 0 | 0 | 107.3 | ||||
| 67 | P | 43.3 | Very low | 31.9 | Very low | 104 Ų | 104 | 160.7 Ų | 160.7 | 68% | 0.675 | 79% | 0.792 | S | S | * | * | cis | -128.7 | -173.5 | -41.3 | 32.6 | -15 | 0 | 0 | 0 | 109.1 | ||||
| 68 | L | 26.4 | Very low | 31.6 | Very low | 165 Ų | 165 | 159.7 Ų | 159.7 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | -162.8 | 127.1 | 144.1 | -105.2 | 152.9 | 0 | 0 | 0 | 111.9 | ||||
| 69 | L | 29.8 | Very low | 31.3 | Very low | 147 Ų | 147 | 161.9 Ų | 161.9 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | -60.8 | 153.6 | 172 | -74.4 | 135.3 | 0 | 0 | 0 | 111.7 | ||||
| 70 | H | 27 | Very low | 30.8 | Very low | 175 Ų | 175 | 158.1 Ų | 158.1 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | 175.5 | 119.4 | 117.5 | -90.3 | -71.5 | 0 | 0 | 0 | 111.2 | |||||
| 71 | H | 26.7 | Very low | 30.6 | Very low | 167 Ų | 167 | 150.9 Ų | 150.9 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | -88.6 | 166.5 | 146 | -130.4 | 67.9 | 0 | 0 | 0 | 106.3 | ||||
| 72 | P | 40.8 | Very low | 30.6 | Very low | 101 Ų | 101 | 149 Ų | 149 | 66% | 0.656 | 76% | 0.759 | S | S | * | * | cis | -157.2 | 173.5 | 40.1 | 41.3 | -17.4 | 0 | 0 | 0 | 120.3 | ||||
| 73 | L | 28.1 | Very low | 30.2 | Very low | 132 Ų | 132 | 149.1 Ų | 149.1 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | trans | 68.6 | 123.7 | 143.1 | -71 | 156 | 0 | 0 | 0 | 122.2 | ||||
| 74 | H | 28 | Very low | 30 | Very low | 183 Ų | 183 | 150.5 Ų | 150.5 | 85% | 0.847 | 76% | 0.76 | S | S | * | * | 176.9 | 134.3 | 101.8 | -89.9 | -76.6 | 0 | 0 | 0 | 112.6 | |||||
| 75 | H | 26.6 | Very low | 29.3 | Very low | 181 Ų | 181 | 151.5 Ų | 151.5 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | trans | -86.2 | -171.8 | 170.6 | -119.2 | -48.5 | 0 | 0 | 0 | 110 | ||||
| 76 | P | 42.5 | Very low | 29.3 | Very low | 93 Ų | 93 | 142.9 Ų | 142.9 | 60% | 0.604 | 75% | 0.749 | S | S | * | * | cis | -139.1 | 179.4 | -19.3 | 27.3 | -2.8 | 0 | 0 | 0 | 113.9 | ||||
| 77 | L | 26.8 | Very low | 29 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 71% | 0.707 | 75% | 0.751 | S | S | * | * | 153 | 128.6 | 122.9 | -78.3 | 163 | 0 | 0 | 0 | 115.7 | |||||
| 78 | H | 27.2 | Very low | 28.2 | Very low | 140 Ų | 140 | 144 Ų | 144 | 65% | 0.648 | 76% | 0.756 | S | S | * | * | trans | 77.1 | 115.6 | 139.4 | -69.1 | -53.4 | 0 | 0 | 0 | 124.8 | ||||
| 79 | H | 26.6 | Very low | 28.6 | Very low | 167 Ų | 167 | 145 Ų | 145 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | trans | 63.5 | 121.7 | 130.7 | -64.2 | -55.2 | 0 | 0 | 0 | 122.4 | ||||
| 80 | A | 26.2 | Very low | 28.6 | Very low | 88 Ų | 88 | 146.9 Ų | 146.9 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | 149.8 | 112.2 | 119 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 81 | S | 27.3 | Very low | 28.7 | Very low | 103 Ų | 103 | 146.3 Ų | 146.3 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | 105.1 | 127.2 | 90.4 | 68 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 82 | Q | 28.3 | Very low | 28.9 | Very low | 168 Ų | 168 | 149.6 Ų | 149.6 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | 75.8 | 106.7 | 148.6 | -73.1 | -179.8 | -9.4 | 0 | 0 | 120.6 | ||||
| 83 | Q | 25.2 | Very low | 28.3 | Very low | 145 Ų | 145 | 153.4 Ų | 153.4 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | 89.3 | 113.2 | 106.2 | -162.3 | 167.5 | -29.7 | 0 | 0 | 119.8 | |||||
| 84 | R | 24.8 | Very low | 28.5 | Very low | 205 Ų | 205 | 155.3 Ų | 155.3 | 77% | 0.774 | 78% | 0.784 | S | S | * | * | trans | 61.9 | 148.3 | 149.6 | -78.3 | -174.7 | -158.6 | -165.4 | 3.1 | 117.5 | ||||
| 85 | D | 24.2 | Very low | 28.6 | Very low | 142 Ų | 142 | 152.6 Ų | 152.6 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | cis | -160.5 | 153.8 | 21.1 | -114.6 | -28.4 | 0 | 0 | 0 | 110 | ||||
| 86 | G | 27.7 | Very low | 28.6 | Very low | 74 Ų | 74 | 152.2 Ų | 152.2 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | 66 | 119.1 | 144.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 87 | C | 25.3 | Very low | 27.8 | Very low | 135 Ų | 135 | 153.2 Ų | 153.2 | 91% | 0.912 | 79% | 0.793 | S | S | * | * | trans | -157.2 | 132 | 137.3 | -158.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 88 | F | 26.7 | Very low | 27.7 | Very low | 177 Ų | 177 | 155 Ų | 155 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -77.6 | 154.4 | -179.7 | -93.1 | -102.1 | 0 | 0 | 0 | 112.3 | ||||
| 89 | E | 33.8 | Very low | 27.7 | Very low | 186 Ų | 186 | 154 Ų | 154 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | trans | -68.6 | 138.4 | 155.7 | -72.5 | -109.1 | 138.9 | 0 | 0 | 110.4 | ||||
| 90 | E | 30.4 | Very low | 27.7 | Very low | 188 Ų | 188 | 151.3 Ų | 151.3 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -107.1 | 122.4 | 169.1 | -89.9 | 177 | 159.6 | 0 | 0 | 109.7 | ||||
| 91 | D | 28.9 | Very low | 27.8 | Very low | 162 Ų | 162 | 155.4 Ų | 155.4 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | trans | -106 | 149.2 | 171.1 | -146.5 | -0.6 | 0 | 0 | 0 | 108.6 | ||||
| 92 | W | 30.9 | Very low | 28 | Very low | 236 Ų | 236 | 156.1 Ų | 156.1 | 89% | 0.894 | 81% | 0.811 | S | S | * | * | trans | -86.2 | 140.8 | -166.5 | -63.8 | 80.5 | 0 | 0 | 0 | 113.1 | ||||
| 93 | E | 29.5 | Very low | 28 | Very low | 182 Ų | 182 | 153 Ų | 153 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | trans | -129.7 | 124.2 | 163.5 | -92.4 | -174.2 | 162.4 | 0 | 0 | 112.6 | ||||
| 94 | E | 32.3 | Very low | 28.2 | Very low | 172 Ų | 172 | 154.7 Ų | 154.7 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -84 | 131.9 | 178.8 | -74.8 | 173.3 | 135 | 0 | 0 | 111.8 | ||
| 95 | S | 29.3 | Very low | 28.6 | Very low | 126 Ų | 126 | 154 Ų | 154 | 88% | 0.881 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 120.4 | 171 | -63.8 | 0 | 0 | 0 | 0 | 111 | ||
| 96 | H | 26.2 | Very low | 29.1 | Very low | 173 Ų | 173 | 158.8 Ų | 158.8 | 80% | 0.801 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 125.4 | 174.8 | -70.6 | -105.2 | 0 | 0 | 0 | 111.1 | ||
| 97 | S | 26.1 | Very low | 29.3 | Very low | 113 Ų | 113 | 162.8 Ų | 162.8 | 79% | 0.79 | 84% | 0.838 | S | S | * | * | trans | -113.3 | 135.7 | 167 | 59.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 98 | M | 24.7 | Very low | 29.8 | Very low | 173 Ų | 173 | 163.4 Ų | 163.4 | 85% | 0.852 | 83% | 0.832 | S | S | * | * | trans | -110.3 | 118.9 | -178.7 | -169.3 | 171 | 109.8 | 0 | 0 | 109.6 | V100 | M98-V100 HydrophobicContact CE-CG2 3.93Š| ||
| 99 | C | 28.2 | Very low | 30.2 | Very low | 118 Ų | 118 | 160.7 Ų | 160.7 | 80% | 0.797 | 84% | 0.835 | S | S | * | * | trans | -99.1 | 132.4 | 173.6 | -61.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 100 | V | 26.8 | Very low | 30.2 | Very low | 112 Ų | 112 | 158.5 Ų | 158.5 | 68% | 0.679 | 83% | 0.829 | S | S | * | * | trans | -113.3 | 116.4 | 173.4 | -179.4 | 0 | 0 | 0 | 0 | 108.5 | M98 V102 | M98-V100 HydrophobicContact CE-CG2 3.93Å; V100-V102 HydrophobicContact CG1-CG2 4.46Å | ||
| 101 | L | 27.2 | Very low | 30.4 | Very low | 173 Ų | 173 | 158.6 Ų | 158.6 | 91% | 0.906 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 118.9 | 170.5 | -97.1 | 142.1 | 0 | 0 | 0 | 108.6 | ||
| 102 | V | 31.1 | Very low | 30.6 | Very low | 118 Ų | 118 | 156.7 Ų | 156.7 | 72% | 0.715 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 124.1 | 171.6 | -178.4 | 0 | 0 | 0 | 0 | 108 | V100 | V100-V102 HydrophobicContact CG1-CG2 4.46Š|
| 103 | A | 28.7 | Very low | 30.6 | Very low | 103 Ų | 103 | 152.9 Ų | 152.9 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 123.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 104 | Q | 30.3 | Very low | 30.8 | Very low | 181 Ų | 181 | 150.5 Ų | 150.5 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -122.2 | 125 | 171 | -168.7 | 119.9 | -11.5 | 0 | 0 | 109.7 | ||||
| 105 | E | 32.8 | Very low | 30.5 | Very low | 190 Ų | 190 | 151.6 Ų | 151.6 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | trans | -74.5 | 134 | -178.8 | -72.3 | -179.5 | 143.5 | 0 | 0 | 112.6 | ||||
| 106 | R | 34.6 | Very low | 30.6 | Very low | 243 Ų | 243 | 152.2 Ų | 152.2 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | S | Bend | trans | 43.2 | 86.3 | 155.5 | -84.9 | -173.3 | 166.4 | -173.2 | -2.9 | 118.5 | ||
| 107 | L | 32.4 | Very low | 30.8 | Very low | 157 Ų | 157 | 149.2 Ų | 149.2 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | S | Bend | 177.3 | 130.6 | 106.1 | -113.6 | 125.5 | 0 | 0 | 0 | 108.6 | |||
| 108 | N | 34.4 | Very low | 31.1 | Very low | 149 Ų | 149 | 148.6 Ų | 148.6 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | 68.9 | 130 | 175.8 | -60.4 | -9.9 | 0 | 0 | 0 | 117.7 | L110 | N108-L110 PolarHBondContact O-N 3.49Š| ||
| 109 | S | 36.1 | Very low | 31.4 | Very low | 119 Ų | 119 | 150.5 Ų | 150.5 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -83.7 | 86.3 | -167.5 | 51.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 110 | L | 34.1 | Very low | 31.5 | Very low | 140 Ų | 140 | 150.1 Ų | 150.1 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | trans | -125.1 | 121.4 | 165.1 | -80.9 | 160.6 | 0 | 0 | 0 | 109.1 | N108 | N108-L110 PolarHBondContact O-N 3.49Š| ||
| 111 | H | 33.5 | Very low | 31.7 | Very low | 190 Ų | 190 | 152.2 Ų | 152.2 | 88% | 0.88 | 81% | 0.809 | S | S | * | * | trans | -94 | 105.8 | 172.3 | -70.6 | -62.1 | 0 | 0 | 0 | 109.1 | ||||
| 112 | T | 34.3 | Very low | 32 | Very low | 123 Ų | 123 | 151.4 Ų | 151.4 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | -86.3 | 111.8 | 173.3 | -43.6 | 0 | 0 | 0 | 0 | 109.4 | L114 | T112-L114 HydrophobicContact CG2-CD1 4.24Š| ||
| 113 | L | 30.5 | Very low | 31.8 | Very low | 155 Ų | 155 | 152 Ų | 152 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -93.6 | 100.4 | 173.1 | -168 | 137.9 | 0 | 0 | 0 | 108.9 | K115 | L113-K115 HydrophobicContact CD2-CB 4.47Š| ||
| 114 | L | 32.3 | Very low | 32.3 | Very low | 133 Ų | 133 | 152.1 Ų | 152.1 | 70% | 0.696 | 79% | 0.791 | S | S | * | * | trans | -90.2 | 109.2 | 176.6 | -136.7 | 89 | 0 | 0 | 0 | 109.5 | T112 L116 | T112-L114 HydrophobicContact CG2-CD1 4.24Å; L114-L116 HydrophobicContact CD2-CD1 4.34Å; L114-L116 HydrophobicContact CD2-CD2 4.11Å; L114-L116 HydrophobicContact CD2-CG 4.11Å | ||
| 115 | K | 27.7 | Very low | 32.4 | Very low | 194 Ų | 194 | 150.3 Ų | 150.3 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -95.3 | 100.6 | 173.8 | -155.4 | 177.2 | -174.3 | 179.9 | 0 | 108.3 | L113 | L113-K115 HydrophobicContact CD2-CB 4.47Š| ||
| 116 | L | 31.2 | Very low | 32.3 | Very low | 140 Ų | 140 | 149.4 Ų | 149.4 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 132.4 | 177.1 | -71.4 | 163.9 | 0 | 0 | 0 | 110.1 | L114 | L114-L116 HydrophobicContact CD2-CD1 4.34Å; L114-L116 HydrophobicContact CD2-CD2 4.11Å; L114-L116 HydrophobicContact CD2-CG 4.11Å |
| 117 | P | 29.2 | Very low | 32.6 | Very low | 110 Ų | 110 | 144 Ų | 144 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 138.2 | 168.7 | 27.5 | -29.8 | 0 | 0 | 0 | 110.1 | F119 | P117-F119 PolarHBondContact O-N 3.35Š|
| 118 | A | 32.9 | Very low | 33 | Very low | 99 Ų | 99 | 143.6 Ų | 143.6 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 127.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | S120 | A118-S120 PolarHBondContact O-N 3.2Å; A118-S120 VanDerWaalsContact O-N 3.08Å |
| 119 | F | 30.8 | Very low | 32.8 | Very low | 214 Ų | 214 | 143.2 Ų | 143.2 | 94% | 0.939 | 78% | 0.777 | S | S | * | * | trans | -61.9 | 108.5 | 169 | -77.6 | -90.9 | 0 | 0 | 0 | 109 | P117 | P117-F119 PolarHBondContact O-N 3.35Š| ||
| 120 | S | 30.4 | Very low | 32.5 | Very low | 109 Ų | 109 | 145 Ų | 145 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | -82.7 | 114.8 | 165.3 | 57.7 | 0 | 0 | 0 | 0 | 109.4 | A118 | A118-S120 PolarHBondContact O-N 3.2Å; A118-S120 VanDerWaalsContact O-N 3.08Å | ||
| 121 | H | 32.2 | Very low | 32.2 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | 16.1 | 108.3 | 146.3 | -145.2 | -73.8 | 0 | 0 | 0 | 117.2 | ||||
| 122 | I | 31.8 | Very low | 32.1 | Very low | 156 Ų | 156 | 144.7 Ų | 144.7 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | -78.4 | 121.4 | 162.7 | -60.4 | 171.6 | 0 | 0 | 0 | 107.2 | ||||
| 123 | Q | 28.6 | Very low | 32.2 | Very low | 132 Ų | 132 | 144 Ų | 144 | 62% | 0.617 | 78% | 0.775 | S | S | * | * | trans | -94.2 | 135.2 | 161.1 | -75.5 | -83.2 | 39.4 | 0 | 0 | 108 | E125 | Q123-E125 PolarHBondContact O-N 3.47Š| ||
| 124 | P | 38.8 | Very low | 32.4 | Very low | 105 Ų | 105 | 148 Ų | 148 | 68% | 0.682 | 78% | 0.779 | S | S | * | * | trans | -95.2 | 77.7 | -175 | 37.2 | -30.1 | 0 | 0 | 0 | 110.7 | ||||
| 125 | E | 32.8 | Very low | 32.4 | Very low | 142 Ų | 142 | 153.3 Ų | 153.3 | 66% | 0.664 | 79% | 0.79 | S | S | * | * | trans | -155.3 | 89.9 | 168.4 | 23.6 | -120.4 | 152.3 | 0 | 0 | 110.5 | Q123 | Q123-E125 PolarHBondContact O-N 3.47Š| ||
| 126 | D | 30.2 | Very low | 32.5 | Very low | 172 Ų | 172 | 151.2 Ų | 151.2 | 92% | 0.92 | 79% | 0.788 | S | S | * | * | trans | -174.4 | 63.7 | 146.5 | -88.4 | -22.9 | 0 | 0 | 0 | 107 | ||||
| 127 | V | 40.6 | Very low | 32.5 | Very low | 130 Ų | 130 | 148.2 Ų | 148.2 | 79% | 0.788 | 78% | 0.784 | S | S | * | * | trans | -98 | 122.1 | 164.1 | 171.2 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 128 | I | 40.6 | Very low | 32.6 | Very low | 148 Ų | 148 | 147 Ų | 147 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | 97 | 81.7 | 173.7 | -47.2 | 145.5 | 0 | 0 | 0 | 114.6 | ||||
| 129 | T | 31.1 | Very low | 32.5 | Very low | 140 Ų | 140 | 148.9 Ų | 148.9 | 86% | 0.859 | 76% | 0.764 | S | S | * | * | -166.4 | 135.9 | 112 | 3.8 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 130 | L | 28.4 | Very low | 32.4 | Very low | 156 Ų | 156 | 142.8 Ų | 142.8 | 82% | 0.817 | 75% | 0.748 | S | S | * | * | trans | 88.9 | 81 | 162.6 | -145.2 | 69.9 | 0 | 0 | 0 | 119.6 | N132 | L130-N132 PolarHBondContact O-N 3.29Š| ||
| 131 | E | 28.3 | Very low | 32.5 | Very low | 172 Ų | 172 | 144.2 Ų | 144.2 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | 28 | 85.1 | 119.3 | -155.4 | 177.7 | -170.8 | 0 | 0 | 119.2 | |||||
| 132 | N | 31.5 | Very low | 32.3 | Very low | 152 Ų | 152 | 144.3 Ų | 144.3 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | trans | 169.8 | 137 | 130.6 | -109.8 | -52.7 | 0 | 0 | 0 | 112.2 | L130 | L130-N132 PolarHBondContact O-N 3.29Š| ||
| 133 | P | 36.9 | Very low | 32.6 | Very low | 110 Ų | 110 | 141.6 Ų | 141.6 | 71% | 0.714 | 73% | 0.728 | S | S | * | * | trans | -98.9 | 108 | 175.4 | 34.7 | -23.5 | 0 | 0 | 0 | 110.5 | ||||
| 134 | R | 34.9 | Very low | 33.1 | Very low | 237 Ų | 237 | 139.5 Ų | 139.5 | 89% | 0.894 | 72% | 0.724 | S | S | * | * | trans | 175.5 | 96.5 | 154 | -101.9 | 168.4 | -168.5 | -151.7 | 3.7 | 110.1 | ||||
| 135 | R | 30.5 | Very low | 33.4 | Very low | 245 Ų | 245 | 137.8 Ų | 137.8 | 93% | 0.925 | 71% | 0.712 | S | S | * | * | trans | -145.5 | 111.7 | 150.8 | -73 | -166.7 | -167.1 | 172.1 | 6 | 108.2 | A137 | R135-A137 PolarHBondContact O-N 3.03Š| ||
| 136 | D | 31.4 | Very low | 33.8 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 81% | 0.807 | 71% | 0.708 | S | S | * | * | trans | -67.1 | 114 | 171 | -60.1 | -52.6 | 0 | 0 | 0 | 108.7 | V138 | D136-V138 PolarHBondContact O-N 3.47Å; D136-V138 VanDerWaalsContact O-N 3.11Å | ||
| 137 | A | 30.5 | Very low | 34.8 | Very low | 77 Ų | 77 | 133.6 Ų | 133.6 | 64% | 0.636 | 70% | 0.697 | S | S | * | * | trans | -75.4 | 96.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | R135 F139 | R135-A137 PolarHBondContact O-N 3.03Å; A137-F139 HydrophobicContact CB-CE2 4.01Å; A137-F139 PolarHBondContact O-N 3.31Å | ||
| 138 | V | 30.6 | Very low | 35.1 | Very low | 85 Ų | 85 | 130.4 Ų | 130.4 | 52% | 0.515 | 69% | 0.691 | S | S | . | * | trans | -76.7 | 112.7 | 172.3 | 178.6 | 0 | 0 | 0 | 0 | 108.3 | D136 | D136-V138 PolarHBondContact O-N 3.47Å; D136-V138 VanDerWaalsContact O-N 3.11Å | ||
| 139 | F | 31.7 | Very low | 35.4 | Very low | 137 Ų | 137 | 127.1 Ų | 127.1 | 60% | 0.601 | 68% | 0.681 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.2 | 122.5 | 170.2 | -69.8 | -84.2 | 0 | 0 | 0 | 109.3 | A137 F141 | A137-F139 HydrophobicContact CB-CE2 4.01Å; A137-F139 PolarHBondContact O-N 3.31Å; F139-F141 HydrophobicContact CB-CE2 3.88Å; F139-F141 HydrophobicContact CB-CZ 4.08Å |
| 140 | S | 29.3 | Very low | 36.3 | Very low | 87 Ų | 87 | 129.4 Ų | 129.4 | 61% | 0.608 | 67% | 0.674 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.3 | 126.7 | 172.1 | 34.2 | 0 | 0 | 0 | 0 | 109.1 | ||
| 141 | F | 31.6 | Very low | 37.1 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 61% | 0.61 | 68% | 0.679 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112.7 | 137.9 | 173.6 | -57.3 | -81.7 | 0 | 0 | 0 | 109.1 | F139 | F139-F141 HydrophobicContact CB-CE2 3.88Å; F139-F141 HydrophobicContact CB-CZ 4.08Å |
| 142 | Q | 28.2 | Very low | 38 | Very low | 158 Ų | 158 | 130.2 Ų | 130.2 | 74% | 0.738 | 68% | 0.678 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.4 | 113.4 | 169.8 | -72.1 | -179.1 | -2.7 | 0 | 0 | 108.1 | ||
| 143 | L | 38.3 | Very low | 38.5 | Very low | 98 Ų | 98 | 126.2 Ų | 126.2 | 51% | 0.513 | 66% | 0.657 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.6 | 119.4 | 173.8 | -171.1 | 67.6 | 0 | 0 | 0 | 108.3 | T145 D157 | L143-T145 HydrophobicContact CD2-CG2 4.25Å; L143-T145 HydrophobicContact CG-CG2 4.22Å; L143-D157 PolarHBondContact N-O 3.46Å; L143-D157 PolarHBondContact O-N 3.3Å |
| 144 | T | 37.7 | Very low | 38.8 | Very low | 89 Ų | 89 | 126.7 Ų | 126.7 | 55% | 0.546 | 65% | 0.652 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.3 | 117.4 | 171.6 | 43.2 | 0 | 0 | 0 | 0 | 107.7 | I156 | T144-I156 HydrophobicContact CG2-CG1 4.08Å |
| 145 | T | 45.4 | Very low | 39.3 | Very low | 68 Ų | 68 | 118.1 Ų | 118.1 | 42% | 0.417 | 63% | 0.629 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.7 | 131.7 | 173.9 | 48 | 0 | 0 | 0 | 0 | 108.7 | L143 S155 | L143-T145 HydrophobicContact CD2-CG2 4.25Å; L143-T145 HydrophobicContact CG-CG2 4.22Å; T145-S155 PolarHBondContact N-O 3.46Å; T145-S155 PolarHBondContact OG1-OG 3.38Å; T145-S155 VanDerWaalsContact OG1-OG 3.07Å |
| 146 | V | 42.3 | Very low | 39.7 | Very low | 97 Ų | 97 | 111.3 Ų | 111.3 | 59% | 0.588 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -118.3 | 106.5 | 177 | 178 | 0 | 0 | 0 | 0 | 106.9 | G148 I154 | V146-G148 VanDerWaalsContact C-N 3.31Å; V146-I154 HydrophobicContact CG2-CG1 4.46Å |
| 147 | D | 50.4 | Low | 40 | Very low | 129 Ų | 129 | 109 Ų | 109 | 69% | 0.69 | 60% | 0.598 | S | S | * | * | trans | -84.9 | -5.7 | -177.5 | -163.5 | 15.2 | 0 | 0 | 0 | 112.4 | S149 | D147-S149 PolarHBondContact O-N 3.39Š| ||
| 148 | G | 46.7 | Very low | 40.2 | Very low | 63 Ų | 63 | 110.8 Ų | 110.8 | 65% | 0.649 | 60% | 0.596 | S | S | * | * | trans | 61.8 | 8.1 | 169 | 0 | 0 | 0 | 0 | 0 | 115.7 | V146 | V146-G148 VanDerWaalsContact C-N 3.31Š| ||
| 149 | S | 48.4 | Very low | 40.8 | Very low | 80 Ų | 80 | 110.3 Ų | 110.3 | 56% | 0.559 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -78 | -22.1 | -179.1 | 50.5 | 0 | 0 | 0 | 0 | 113.4 | D147 | D147-S149 PolarHBondContact O-N 3.39Š|
| 150 | R | 48.7 | Very low | 41.1 | Very low | 187 Ų | 187 | 111.1 Ų | 111.1 | 71% | 0.706 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -148.8 | 160.1 | 179.3 | -56.8 | 179.4 | 72.1 | -156.4 | -0.1 | 111.3 | D152 D153 | R150-D152 PolarHBondContact O-N 3.19Å; R150-D152 VanDerWaalsContact O-N 3.14Å; R150-D153 WeakPolarHBondContact CB-OD2 3.45Å |
| 151 | E | 45.6 | Very low | 41.5 | Very low | 196 Ų | 196 | 111.7 Ų | 111.7 | 92% | 0.916 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -18.5 | -172 | -59.2 | 158.8 | -131.4 | 0 | 0 | 114.1 | ||
| 152 | D | 47.4 | Very low | 41.4 | Very low | 149 Ų | 149 | 108.8 Ų | 108.8 | 80% | 0.797 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.3 | 15.4 | -171.6 | -60.5 | -47.1 | 0 | 0 | 0 | 115.3 | R150 I154 | R150-D152 PolarHBondContact O-N 3.19Å; R150-D152 VanDerWaalsContact O-N 3.14Å; D152-I154 PolarHBondContact O-N 3.19Å; D152-I154 VanDerWaalsContact O-N 3.16Å |
| 153 | D | 40.7 | Very low | 42 | Very low | 68 Ų | 68 | 104.5 Ų | 104.5 | 36% | 0.364 | 60% | 0.598 | S | S | . | * | trans | -89.2 | 83.4 | -176.8 | -71.6 | -21.1 | 0 | 0 | 0 | 111.9 | R150 | R150-D153 WeakPolarHBondContact CB-OD2 3.45Š| ||
| 154 | I | 44.8 | Very low | 42 | Very low | 120 Ų | 120 | 106.5 Ų | 106.5 | 62% | 0.615 | 62% | 0.615 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.8 | 105.5 | 164.1 | -56.7 | 173.6 | 0 | 0 | 0 | 108 | V146 D152 I156 | V146-I154 HydrophobicContact CG2-CG1 4.46Å; D152-I154 PolarHBondContact O-N 3.19Å; D152-I154 VanDerWaalsContact O-N 3.16Å; I154-I156 HydrophobicContact CG2-CG1 4.37Å |
| 155 | S | 44.1 | Very low | 41.5 | Very low | 58 Ų | 58 | 109.6 Ų | 109.6 | 41% | 0.406 | 63% | 0.628 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93 | 133.5 | 168.4 | 61.2 | 0 | 0 | 0 | 0 | 110.2 | T145 | T145-S155 PolarHBondContact N-O 3.46Å; T145-S155 PolarHBondContact OG1-OG 3.38Å; T145-S155 VanDerWaalsContact OG1-OG 3.07Å |
| 156 | I | 39.9 | Very low | 40.9 | Very low | 101 Ų | 101 | 112.6 Ų | 112.6 | 52% | 0.518 | 65% | 0.646 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.8 | 107.4 | 175 | -52.1 | -174.6 | 0 | 0 | 0 | 107.1 | T144 I154 | T144-I156 HydrophobicContact CG2-CG1 4.08Å; I154-I156 HydrophobicContact CG2-CG1 4.37Å |
| 157 | D | 38.4 | Very low | 40.2 | Very low | 104 Ų | 104 | 114.9 Ų | 114.9 | 56% | 0.556 | 65% | 0.653 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.2 | 132.1 | 175 | -82.9 | -24.2 | 0 | 0 | 0 | 110.8 | L143 | L143-D157 PolarHBondContact N-O 3.46Å; L143-D157 PolarHBondContact O-N 3.3Å |
| 158 | N | 34.5 | Very low | 39.1 | Very low | 114 Ų | 114 | 116 Ų | 116 | 61% | 0.61 | 66% | 0.655 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.9 | 111.8 | 175.9 | -72.4 | -33.5 | 0 | 0 | 0 | 109.1 | ||
| 159 | V | 42.2 | Very low | 38.2 | Very low | 75 Ų | 75 | 123 Ų | 123 | 46% | 0.455 | 66% | 0.661 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.7 | 119.2 | 174.7 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | V161 | V159-V161 HydrophobicContact CG1-CG2 4.32Å |
| 160 | Q | 37.5 | Very low | 37 | Very low | 153 Ų | 153 | 125.1 Ų | 125.1 | 72% | 0.715 | 67% | 0.667 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98 | 128.8 | 171.1 | -68.7 | -179.3 | 11.9 | 0 | 0 | 109 | ||
| 161 | V | 37.7 | Very low | 35.9 | Very low | 99 Ų | 99 | 126 Ų | 126 | 60% | 0.6 | 68% | 0.676 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.8 | 105.1 | 171.7 | 179 | 0 | 0 | 0 | 0 | 107.4 | V159 | V159-V161 HydrophobicContact CG1-CG2 4.32Å |
| 162 | A | 31.1 | Very low | 34.8 | Very low | 79 Ų | 79 | 121.5 Ų | 121.5 | 65% | 0.653 | 67% | 0.666 | S | S | * | * | trans | -84.7 | 132.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 163 | G | 39 | Very low | 33.7 | Very low | 67 Ų | 67 | 119.7 Ų | 119.7 | 69% | 0.691 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -60.7 | 139.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 164 | T | 38.5 | Very low | 33 | Very low | 140 Ų | 140 | 126.9 Ų | 126.9 | 86% | 0.859 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 64.6 | 83 | -179.2 | 40.5 | 0 | 0 | 0 | 0 | 115.8 | ||
| 165 | D | 28.7 | Very low | 32 | Very low | 154 Ų | 154 | 127.2 Ų | 127.2 | 82% | 0.824 | 70% | 0.7 | S | S | * | * | -172.9 | 155.5 | 123 | -100.7 | -25.3 | 0 | 0 | 0 | 113.8 | |||||
| 166 | V | 31.9 | Very low | 31.1 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 79% | 0.794 | 72% | 0.717 | S | S | * | * | trans | -49 | 124.8 | 179 | 171.5 | 0 | 0 | 0 | 0 | 112.6 | Q168 | V166-Q168 PolarHBondContact O-N 3.4Å; V166-Q168 VanDerWaalsContact O-N 3.16Å | ||
| 167 | I | 27.3 | Very low | 30.5 | Very low | 145 Ų | 145 | 134.5 Ų | 134.5 | 74% | 0.744 | 73% | 0.734 | S | S | * | * | trans | -80 | 96.7 | 165.3 | -60.5 | 179.6 | 0 | 0 | 0 | 108.3 | R169 | I167-R169 HydrophobicContact CG2-CB 4.39Å; I167-R169 HydrophobicContact CG2-CG 4.35Å | ||
| 168 | Q | 28 | Very low | 30.1 | Very low | 154 Ų | 154 | 138 Ų | 138 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | trans | -76.8 | 117.2 | 151.2 | -178.6 | 176.7 | -7 | 0 | 0 | 107.5 | V166 | V166-Q168 PolarHBondContact O-N 3.4Å; V166-Q168 VanDerWaalsContact O-N 3.16Å | ||
| 169 | R | 26.5 | Very low | 29.8 | Very low | 209 Ų | 209 | 140.6 Ų | 140.6 | 79% | 0.789 | 76% | 0.761 | S | S | * | * | trans | -135.1 | 116.7 | 157.8 | -95.4 | -172.3 | -177.2 | 136.5 | 1.2 | 109.1 | I167 | I167-R169 HydrophobicContact CG2-CB 4.39Å; I167-R169 HydrophobicContact CG2-CG 4.35Å | ||
| 170 | D | 23.7 | Very low | 29.1 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 67% | 0.668 | 78% | 0.778 | S | S | * | * | trans | -60.5 | 130.3 | 174.1 | -63.2 | -40.6 | 0 | 0 | 0 | 110.7 | ||||
| 171 | F | 25.4 | Very low | 28.7 | Very low | 205 Ų | 205 | 149.3 Ų | 149.3 | 90% | 0.899 | 79% | 0.787 | S | S | * | * | trans | -115.1 | 97.3 | 156.7 | -82.7 | -78.7 | 0 | 0 | 0 | 108.5 | ||||
| 172 | S | 22.7 | Very low | 28.2 | Very low | 101 Ų | 101 | 151.1 Ų | 151.1 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -81.5 | 133.7 | 167.1 | -55.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 173 | C | 25.8 | Very low | 27.9 | Very low | 112 Ų | 112 | 159 Ų | 159 | 76% | 0.757 | 81% | 0.806 | S | S | * | * | trans | 71.4 | 109.7 | 162.5 | -61.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 174 | F | 24.1 | Very low | 27.3 | Very low | 219 Ų | 219 | 164.4 Ų | 164.4 | 96% | 0.961 | 81% | 0.814 | S | S | * | * | -159 | 93.2 | 108.3 | -94.6 | -73.5 | 0 | 0 | 0 | 108.9 | |||||
| 175 | T | 25.7 | Very low | 27 | Very low | 126 Ų | 126 | 162.4 Ų | 162.4 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | -108.9 | 123.5 | 158.8 | -54.3 | 0 | 0 | 0 | 0 | 106 | ||||
| 176 | N | 24.9 | Very low | 26.9 | Very low | 145 Ų | 145 | 165.3 Ų | 165.3 | 78% | 0.775 | 81% | 0.809 | S | S | * | * | trans | 147.4 | 98.5 | 148.4 | -76.8 | -23.6 | 0 | 0 | 0 | 109.6 | ||||
| 177 | L | 27.7 | Very low | 26.9 | Very low | 167 Ų | 167 | 167.3 Ų | 167.3 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | 171.9 | 96.6 | 133 | -95.7 | 155.6 | 0 | 0 | 0 | 108.4 | ||||
| 178 | L | 28.1 | Very low | 26.9 | Very low | 179 Ų | 179 | 171.7 Ų | 171.7 | 94% | 0.937 | 82% | 0.82 | S | S | * | * | trans | -174.9 | 86.7 | 138.8 | -100 | 147.4 | 0 | 0 | 0 | 107.5 | ||||
| 179 | E | 28.7 | Very low | 26.9 | Very low | 168 Ų | 168 | 167.1 Ų | 167.1 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | -78.8 | 139.8 | 156.2 | -74.4 | -169.4 | 146.5 | 0 | 0 | 109 | ||||
| 180 | R | 28.1 | Very low | 27 | Very low | 215 Ų | 215 | 162.2 Ų | 162.2 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | 54.4 | 117.8 | 145.6 | -83 | 177.1 | 156.4 | 152.4 | -5.5 | 118.9 | ||||
| 181 | E | 28.6 | Very low | 27.3 | Very low | 196 Ų | 196 | 164.5 Ų | 164.5 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | -160 | 123.9 | 114.2 | -108 | 169.6 | 163.1 | 0 | 0 | 110 | |||||
| 182 | D | 27 | Very low | 27.5 | Very low | 136 Ų | 136 | 164.7 Ų | 164.7 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | trans | -78.2 | 144 | 168.7 | -67.5 | -57.7 | 0 | 0 | 0 | 109.6 | ||||
| 183 | W | 25.9 | Very low | 27.8 | Very low | 244 Ų | 244 | 170.5 Ų | 170.5 | 92% | 0.924 | 83% | 0.828 | S | S | * | * | 171.4 | 115.9 | 129.6 | -84.1 | -4.3 | 0 | 0 | 0 | 114.1 | |||||
| 184 | E | 25.4 | Very low | 27.8 | Very low | 182 Ų | 182 | 171 Ų | 171 | 85% | 0.85 | 83% | 0.831 | S | S | * | * | trans | 69 | 148.3 | 133 | -68.2 | -88.2 | 140.4 | 0 | 0 | 122.9 | ||||
| 185 | P | 32.7 | Very low | 27.9 | Very low | 98 Ų | 98 | 169.9 Ų | 169.9 | 64% | 0.636 | 83% | 0.826 | S | S | * | * | trans | -106.2 | 154 | -155.6 | 38.8 | -27.8 | 0 | 0 | 0 | 113.9 | ||||
| 186 | F | 27.5 | Very low | 27.8 | Very low | 214 Ų | 214 | 175.4 Ų | 175.4 | 94% | 0.939 | 83% | 0.833 | S | S | * | * | trans | -129.9 | 114 | 161.2 | -123 | -93 | 0 | 0 | 0 | 110.2 | ||||
| 187 | M | 30.2 | Very low | 27.9 | Very low | 173 Ų | 173 | 174.1 Ų | 174.1 | 85% | 0.852 | 83% | 0.834 | S | S | * | * | trans | -83.6 | 127.4 | 173.8 | -77.5 | -83 | -85.2 | 0 | 0 | 110.2 | ||||
| 188 | Y | 27.6 | Very low | 28 | Very low | 237 Ų | 237 | 172 Ų | 172 | 93% | 0.929 | 83% | 0.83 | S | S | * | * | trans | -159.4 | 120.1 | 144.5 | -149 | -100.2 | 0 | 0 | 0 | 112 | ||||
| 189 | G | 28.9 | Very low | 27.9 | Very low | 59 Ų | 59 | 168.3 Ų | 168.3 | 61% | 0.608 | 82% | 0.82 | S | S | * | * | trans | 90.8 | 86.7 | 142.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 190 | S | 28.8 | Very low | 28 | Very low | 105 Ų | 105 | 166.2 Ų | 166.2 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | trans | 66.9 | 112.1 | 134.4 | 54.5 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 191 | Q | 30.2 | Very low | 28 | Very low | 174 Ų | 174 | 164 Ų | 164 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | trans | 65.9 | 98.7 | 131.6 | -67.3 | 179.2 | -3.9 | 0 | 0 | 120.7 | ||||
| 192 | F | 28.1 | Very low | 28 | Very low | 208 Ų | 208 | 162.4 Ų | 162.4 | 91% | 0.912 | 81% | 0.814 | S | S | * | * | trans | -138.3 | 133.5 | 144.2 | -73.8 | -78.4 | 0 | 0 | 0 | 110.8 | C194 | F192-C194 PolarHBondContact O-N 2.84Š| ||
| 193 | Y | 29.1 | Very low | 28 | Very low | 224 Ų | 224 | 158.9 Ų | 158.9 | 88% | 0.878 | 81% | 0.81 | S | S | * | * | trans | -67.2 | 122.9 | 175.9 | -77.5 | -96.4 | 0 | 0 | 0 | 110.2 | ||||
| 194 | C | 25.9 | Very low | 28 | Very low | 121 Ų | 121 | 154.6 Ų | 154.6 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -103.4 | 116.4 | 170.5 | -163.8 | 0 | 0 | 0 | 0 | 108.8 | F192 R196 | F192-C194 PolarHBondContact O-N 2.84Å; C194-R196 PolarHBondContact O-N 3.3Å | ||
| 195 | F | 26.3 | Very low | 28 | Very low | 196 Ų | 196 | 149.7 Ų | 149.7 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -70.3 | 113.2 | 171.4 | -83.8 | -91.9 | 0 | 0 | 0 | 109.1 | C197 | F195-C197 PolarHBondContact O-N 2.92Š| ||
| 196 | R | 24.6 | Very low | 27.8 | Very low | 243 Ų | 243 | 148.7 Ų | 148.7 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | trans | -71.4 | 118.6 | 165.3 | -89.5 | -176.4 | 177.8 | 152 | -0.9 | 109.3 | C194 | C194-R196 PolarHBondContact O-N 3.3Š| ||
| 197 | C | 25.8 | Very low | 27.7 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | trans | -77.6 | 132.1 | 152 | -80.2 | 0 | 0 | 0 | 0 | 109 | F195 S199 | F195-C197 PolarHBondContact O-N 2.92Å; C197-S199 PolarHBondContact O-N 2.86Å | ||
| 198 | P | 30.1 | Very low | 27.7 | Very low | 122 Ų | 122 | 146.1 Ų | 146.1 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | trans | -83.8 | 108.6 | 167.6 | 25.4 | -17.7 | 0 | 0 | 0 | 109.9 | ||||
| 199 | S | 25.8 | Very low | 27.7 | Very low | 103 Ų | 103 | 144.4 Ų | 144.4 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | trans | -83.8 | 108 | 163.3 | 28.4 | 0 | 0 | 0 | 0 | 109.2 | C197 H201 | C197-S199 PolarHBondContact O-N 2.86Å; S199-H201 PolarHBondContact O-N 3.18Å | ||
| 200 | T | 32.3 | Very low | 27.5 | Very low | 123 Ų | 123 | 146.4 Ų | 146.4 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | -79.6 | 111.8 | 173.1 | -45.1 | 0 | 0 | 0 | 0 | 109.3 | L202 | T200-L202 HydrophobicContact CG2-CD1 4.1Š| ||
| 201 | H | 27.3 | Very low | 27.4 | Very low | 170 Ų | 170 | 146.7 Ų | 146.7 | 79% | 0.787 | 81% | 0.813 | S | S | * | * | trans | -67.2 | 133.8 | 162.1 | -72.7 | -106.5 | 0 | 0 | 0 | 109.6 | S199 | S199-H201 PolarHBondContact O-N 3.18Š| ||
| 202 | L | 29.2 | Very low | 27.2 | Very low | 162 Ų | 162 | 146.3 Ų | 146.3 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | trans | -142 | 108.9 | 155.2 | -107.4 | 123.8 | 0 | 0 | 0 | 109.8 | T200 | T200-L202 HydrophobicContact CG2-CD1 4.1Š| ||
| 203 | G | 25.7 | Very low | 27.2 | Very low | 62 Ų | 62 | 142.4 Ų | 142.4 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | trans | -80.2 | 137.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 204 | V | 25.9 | Very low | 27.2 | Very low | 154 Ų | 154 | 141 Ų | 141 | 93% | 0.933 | 80% | 0.801 | S | S | * | * | trans | 37.6 | 115.9 | 133.8 | -171.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 205 | G | 27 | Very low | 27.3 | Very low | 79 Ų | 79 | 138.7 Ų | 138.7 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | 115.6 | 115.4 | 127.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 206 | G | 27.3 | Very low | 27.5 | Very low | 76 Ų | 76 | 137.3 Ų | 137.3 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | trans | 149 | 87 | 155.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 207 | L | 26.5 | Very low | 27.8 | Very low | 168 Ų | 168 | 131.9 Ų | 131.9 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | trans | 74.8 | 119.4 | 130 | -157.2 | 65.1 | 0 | 0 | 0 | 121.6 | ||||
| 208 | M | 28.8 | Very low | 28 | Very low | 165 Ų | 165 | 137.5 Ų | 137.5 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -19.6 | 141 | 162.7 | -65.5 | -178.6 | 82.8 | 0 | 0 | 120.9 | ||||
| 209 | K | 27.8 | Very low | 28.2 | Very low | 202 Ų | 202 | 138 Ų | 138 | 88% | 0.878 | 80% | 0.798 | S | S | * | * | 155.4 | 153.7 | 126.5 | -87.6 | 166.9 | -179.6 | 177.8 | 0 | 106.3 | |||||
| 210 | S | 24.6 | Very low | 28.4 | Very low | 100 Ų | 100 | 141.6 Ų | 141.6 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | cis | 172.6 | 153.1 | -12.1 | 172.5 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 211 | C | 27 | Very low | 28.4 | Very low | 111 Ų | 111 | 144.2 Ų | 144.2 | 75% | 0.75 | 81% | 0.808 | S | S | * | * | trans | 79.3 | 100.4 | 160.5 | -67.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 212 | Q | 26.7 | Very low | 28.6 | Very low | 166 Ų | 166 | 144.1 Ų | 144.1 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | 45.7 | 125.7 | 115.8 | -79.4 | -179.1 | 10 | 0 | 0 | 121.9 | |||||
| 213 | N | 27.9 | Very low | 28.7 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 67% | 0.674 | 81% | 0.81 | S | S | * | * | trans | 61.9 | 115.2 | 133.9 | -55.9 | -18.5 | 0 | 0 | 0 | 119.1 | ||||
| 214 | H | 29.4 | Very low | 28.9 | Very low | 194 Ų | 194 | 148.4 Ų | 148.4 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | -171.5 | 134.5 | 109 | -96.6 | -71.9 | 0 | 0 | 0 | 109.4 | |||||
| 215 | G | 26.6 | Very low | 29.3 | Very low | 73 Ų | 73 | 146.6 Ų | 146.6 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | -77.1 | 151 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 216 | L | 31.6 | Very low | 29.5 | Very low | 168 Ų | 168 | 150.9 Ų | 150.9 | 88% | 0.88 | 81% | 0.814 | S | S | * | * | trans | -162.4 | 133.3 | 137 | -158.5 | 66.3 | 0 | 0 | 0 | 109.4 | ||||
| 217 | T | 31.3 | Very low | 29.7 | Very low | 128 Ų | 128 | 152.7 Ų | 152.7 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | -48.7 | 128.9 | 170.8 | 47.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 218 | R | 30.4 | Very low | 29.9 | Very low | 235 Ų | 235 | 149.5 Ų | 149.5 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | -162.8 | 130.4 | 146.1 | -147.3 | 167.5 | -173.2 | 155.5 | 0.4 | 112.7 | E220 | R218-E220 PolarHBondContact O-N 3.29Š| ||
| 219 | T | 34.2 | Very low | 30.2 | Very low | 132 Ų | 132 | 147 Ų | 147 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -49.3 | 119.2 | 167.7 | -42.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 220 | E | 28.9 | Very low | 30.2 | Very low | 179 Ų | 179 | 143.6 Ų | 143.6 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | -92 | 111.1 | 171.8 | -68.8 | -152.9 | 148.1 | 0 | 0 | 110.8 | R218 | R218-E220 PolarHBondContact O-N 3.29Š| ||
| 221 | Q | 32.7 | Very low | 31 | Very low | 179 Ų | 179 | 146.2 Ų | 146.2 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | -71.9 | 122.2 | 157.7 | -74.7 | 166.9 | -27.4 | 0 | 0 | 108.2 | L223 | Q221-L223 PolarHBondContact O-N 2.98Š| ||
| 222 | L | 31.4 | Very low | 31.1 | Very low | 167 Ų | 167 | 147.1 Ų | 147.1 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -84.7 | 104.2 | 168.7 | -85.6 | 162.9 | 0 | 0 | 0 | 109.7 | ||||
| 223 | L | 31.1 | Very low | 31.5 | Very low | 153 Ų | 153 | 145 Ų | 145 | 80% | 0.801 | 82% | 0.815 | S | S | * | * | trans | -68.6 | 138.3 | 159 | -80.2 | 153.8 | 0 | 0 | 0 | 110.2 | Q221 | Q221-L223 PolarHBondContact O-N 2.98Š| ||
| 224 | L | 29.8 | Very low | 32.4 | Very low | 161 Ų | 161 | 145 Ų | 145 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | -126.6 | 152.4 | 155.6 | -83.7 | 177.5 | 0 | 0 | 0 | 108.4 | ||||
| 225 | P | 34.8 | Very low | 33.2 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | -101.7 | 150.9 | -127.3 | 20.3 | -5.7 | 0 | 0 | 0 | 114.5 | |||||
| 226 | L | 31.8 | Very low | 33.6 | Very low | 170 Ų | 170 | 144 Ų | 144 | 89% | 0.89 | 82% | 0.82 | S | S | * | * | trans | -55.3 | 137 | 167.8 | -94.1 | 85 | 0 | 0 | 0 | 112.2 | ||||
| 227 | S | 31.5 | Very low | 34.7 | Very low | 113 Ų | 113 | 142.4 Ų | 142.4 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | trans | -104.4 | 111.7 | 151.4 | 80.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 228 | S | 30.6 | Very low | 35.5 | Very low | 102 Ų | 102 | 140.3 Ų | 140.3 | 71% | 0.713 | 82% | 0.824 | S | S | * | * | trans | 50.1 | 100.9 | 135.4 | -162.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 229 | V | 34.5 | Very low | 36.1 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 67% | 0.673 | 81% | 0.814 | S | S | * | * | 51.4 | 109.8 | 129.8 | -167.3 | 0 | 0 | 0 | 0 | 119.1 | L231 | V229-L231 HydrophobicContact CG1-CD1 3.94Š| |||
| 230 | C | 26.9 | Very low | 36.9 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 89% | 0.892 | 82% | 0.82 | S | S | * | * | -137.3 | 107.1 | 127.4 | -98.1 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 231 | L | 41.5 | Very low | 38.1 | Very low | 154 Ų | 154 | 132.2 Ų | 132.2 | 81% | 0.806 | 82% | 0.819 | S | S | * | * | trans | -65.3 | 128.1 | 162.4 | -90.5 | 86.2 | 0 | 0 | 0 | 108.5 | V229 | V229-L231 HydrophobicContact CG1-CD1 3.94Š| ||
| 232 | C | 28.8 | Very low | 39.2 | Very low | 130 Ų | 130 | 126.4 Ų | 126.4 | 88% | 0.878 | 81% | 0.807 | S | S | * | * | trans | -170.9 | 106.2 | 138.1 | -92.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 233 | S | 36.6 | Very low | 40.6 | Very low | 121 Ų | 121 | 124.3 Ų | 124.3 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -96.2 | 146.5 | 156.4 | -57.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 234 | P | 47.2 | Very low | 42.3 | Very low | 127 Ų | 127 | 119 Ų | 119 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -113.5 | 124.4 | 136 | 24 | -9.7 | 0 | 0 | 0 | 109.5 | G236 | P234-G236 PolarHBondContact O-N 3.4Š| ||
| 235 | L | 45.2 | Very low | 44.5 | Very low | 183 Ų | 183 | 116.1 Ų | 116.1 | 96% | 0.958 | 77% | 0.765 | S | S | * | * | trans | -60.9 | 113.4 | 170.9 | -171.2 | 72.3 | 0 | 0 | 0 | 109.4 | ||||
| 236 | G | 34.7 | Very low | 46.8 | Very low | 62 Ų | 62 | 113.3 Ų | 113.3 | 64% | 0.639 | 75% | 0.748 | S | S | * | * | trans | -121 | 135.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | P234 | P234-G236 PolarHBondContact O-N 3.4Š| ||
| 237 | P | 54.4 | Low | 49.4 | Very low | 135 Ų | 135 | 109.5 Ų | 109.5 | 88% | 0.877 | 73% | 0.726 | S | S | * | * | trans | -84.1 | 131.1 | -177.6 | 32.3 | -30.4 | 0 | 0 | 0 | 111.1 | ||||
| 238 | G | 48.5 | Very low | 52 | Low | 85 Ų | 85 | 106.9 Ų | 106.9 | 88% | 0.876 | 70% | 0.701 | S | S | * | * | trans | 86.2 | 92.4 | 157 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 239 | G | 42.7 | Very low | 54.8 | Low | 65 Ų | 65 | 106.4 Ų | 106.4 | 67% | 0.67 | 69% | 0.687 | S | S | * | * | trans | -167 | 97 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110 | L241 | G239-L241 PolarHBondContact O-N 3.48Š| ||
| 240 | V | 50.6 | Low | 57.5 | Low | 154 Ų | 154 | 107.2 Ų | 107.2 | 93% | 0.933 | 68% | 0.684 | S | S | * | * | trans | -78.7 | 67.7 | 167.3 | -176.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 241 | L | 55.4 | Low | 60.6 | Low | 157 Ų | 157 | 104.6 Ų | 104.6 | 82% | 0.822 | 66% | 0.657 | S | S | * | * | trans | -147.6 | 115.6 | 170.8 | -104.2 | 105.8 | 0 | 0 | 0 | 105.8 | G239 | G239-L241 PolarHBondContact O-N 3.48Š| ||
| 242 | G | 54.8 | Low | 63.1 | Low | 57 Ų | 57 | 97.7 Ų | 97.7 | 59% | 0.588 | 62% | 0.621 | S | S | * | * | trans | 148 | 18.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 243 | D | 61.9 | Low | 66.1 | Low | 122 Ų | 122 | 92.5 Ų | 92.5 | 65% | 0.652 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -96.5 | -47.3 | 167.3 | -157.3 | 30.4 | 0 | 0 | 0 | 110.4 | D245 S246 E247 | D243-D245 PolarHBondContact O-N 2.99Å; D243-S246 PolarHBondContact O-N 3.45Å; D243-E247 PolarHBondContact O-N 3.45Å |
| 244 | G | 66.7 | Low | 68.8 | Low | 43 Ų | 43 | 92.2 Ų | 92.2 | 44% | 0.443 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.7 | -35 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | S246 E247 E248 | G244-S246 VanDerWaalsContact C-N 3.32Å; G244-S246 PolarHBondContact O-N 3.38Å; G244-E247 PolarHBondContact O-N 3.38Å; G244-E248 WeakPolarHBondContact O-CG 3.39Å; G244-E248 PolarHBondContact O-N 2.86Å |
| 245 | D | 75.7 | Confident | 71 | Confident | 99 Ų | 99 | 86.5 Ų | 86.5 | 53% | 0.529 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -71.9 | -27.6 | -179.2 | -69.1 | 0.7 | 0 | 0 | 0 | 112.1 | D243 E248 E249 | D243-D245 PolarHBondContact O-N 2.99Å; D245-E248 WeakPolarHBondContact O-CG 3.45Å; D245-E249 PolarHBondContact O-N 2.81Å |
| 246 | S | 82.3 | Confident | 73.3 | Confident | 58 Ų | 58 | 80 Ų | 80 | 41% | 0.406 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -75.3 | -44.2 | 175 | -168.8 | 0 | 0 | 0 | 0 | 110.9 | D243 G244 E248 E249 E250 | D243-S246 PolarHBondContact O-N 3.45Å; G244-S246 VanDerWaalsContact C-N 3.32Å; G244-S246 PolarHBondContact O-N 3.38Å; S246-E248 VanDerWaalsContact C-N 3.32Å; S246-E248 PolarHBondContact O-N 2.84Å; S246-E249 PolarHBondContact O-N 3.12Å; S246-E250 WeakPolarHBondContact O-CG 3.37Å; S246-E250 PolarHBondContact O-N 3.44Å |
| 247 | E | 86.9 | Confident | 76.2 | Confident | 90 Ų | 90 | 81.6 Ų | 81.6 | 42% | 0.421 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.1 | -37.6 | 179 | -68.1 | -172.6 | 176.5 | 0 | 0 | 112.9 | D243 G244 E250 K251 | D243-E247 PolarHBondContact O-N 3.45Å; G244-E247 PolarHBondContact O-N 3.38Å; E247-E250 PolarHBondContact O-N 3.01Å; E247-K251 WeakPolarHBondContact O-CD 3.17Å; E247-K251 VanDerWaalsContact O-CG 3.23Å; E247-K251 WeakPolarHBondContact O-CG 3.33Å; E247-K251 PolarHBondContact O-N 3.49Å; E247-K251 IonicContact OE2-NZ 2.68Å |
| 248 | E | 86.8 | Confident | 78 | Confident | 57 Ų | 57 | 81 Ų | 81 | 27% | 0.266 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.2 | -32.9 | 177.6 | 62.8 | -175.1 | -146.4 | 0 | 0 | 112.9 | G244 D245 S246 K251 L252 R329 | G244-E248 WeakPolarHBondContact O-CG 3.39Å; G244-E248 PolarHBondContact O-N 2.86Å; D245-E248 WeakPolarHBondContact O-CG 3.45Å; S246-E248 VanDerWaalsContact C-N 3.32Å; S246-E248 PolarHBondContact O-N 2.84Å; E248-K251 PolarHBondContact O-N 2.85Å; E248-L252 WeakPolarHBondContact O-CB 3.23Å; E248-L252 PolarHBondContact O-N 3.42Å; E248-R329 IonicContact OE1-CZ 2.76Å; E248-R329 IonicContact OE1-NH2 3.1Å; E248-R329 PolarHBondContact OE1-NH2 3.18Å; E248-R329 VanDerWaalsContact OE1-NH2 3.1Å; E248-R329 IonicContact OE2-CZ 3.58Å; E248-R329 IonicContact OE2-NH1 3.55Å; E248-R329 PolarHBondContact OE2-NH1 2.9Å; E248-R329 IonicContact OE2-NH2 2.66Å; E248-R329 PolarHBondContact OE2-NH2 2.65Å |
| 249 | E | 89.1 | Confident | 80.2 | Confident | 93 Ų | 93 | 77 Ų | 77 | 44% | 0.435 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 171.8 | 167.3 | 152.6 | -147.3 | 0 | 0 | 111.3 | D245 S246 L252 G253 K324 M326 | D245-E249 PolarHBondContact O-N 2.81Å; S246-E249 PolarHBondContact O-N 3.12Å; E249-L252 PolarHBondContact O-N 3.05Å; E249-G253 PolarHBondContact O-N 3.23Å; E249-K324 IonicContact OE1-NZ 3Å; E249-M326 HydrophobicContact CB-CE 3.4Å; E249-M326 HydrophobicContact CG-CE 3.34Å |
| 250 | E | 91.5 | Very high | 82.5 | Confident | 127 Ų | 127 | 80.7 Ų | 80.7 | 59% | 0.593 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -60.7 | -46.4 | 175.5 | -71.6 | -179.4 | -174.1 | 0 | 0 | 111.5 | S246 E247 L252 G253 L254 | S246-E250 WeakPolarHBondContact O-CG 3.37Å; S246-E250 PolarHBondContact O-N 3.44Å; E247-E250 PolarHBondContact O-N 3.01Å; E250-L252 VanDerWaalsContact C-N 3.33Å; E250-L252 PolarHBondContact O-N 2.97Å; E250-G253 PolarHBondContact O-N 3.42Å; E250-L254 WeakPolarHBondContact O-CG 3.43Å; E250-L254 PolarHBondContact O-N 3.21Å |
| 251 | K | 91.6 | Very high | 84.5 | Confident | 78 Ų | 78 | 78.6 Ų | 78.6 | 34% | 0.339 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59 | -42.8 | 176.1 | -72.6 | 165.6 | -172.1 | 163.7 | 0 | 111.9 | E247 E248 L254 M255 | E247-K251 WeakPolarHBondContact O-CD 3.17Å; E247-K251 VanDerWaalsContact O-CG 3.23Å; E247-K251 WeakPolarHBondContact O-CG 3.33Å; E247-K251 PolarHBondContact O-N 3.49Å; E247-K251 IonicContact OE2-NZ 2.68Å; E248-K251 PolarHBondContact O-N 2.85Å; K251-L254 PolarHBondContact O-N 2.93Å; K251-M255 PolarHBondContact O-N 2.94Å |
| 252 | L | 93.3 | Very high | 86.2 | Confident | 8 Ų | 8 | 73 Ų | 73 | 4% | 0.042 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.1 | -39.8 | 177.1 | -175.5 | 59.9 | 0 | 0 | 0 | 111.8 | E248 E249 E250 M255 Y256 M326 I331 I369 | E248-L252 WeakPolarHBondContact O-CB 3.23Å; E248-L252 PolarHBondContact O-N 3.42Å; E249-L252 PolarHBondContact O-N 3.05Å; E250-L252 VanDerWaalsContact C-N 3.33Å; E250-L252 PolarHBondContact O-N 2.97Å; L252-M255 PolarHBondContact O-N 3.5Å; L252-Y256 WeakPolarHBondContact O-CB 3.49Å; L252-Y256 PolarHBondContact O-N 3.25Å; L252-M326 HydrophobicContact CB-CE 4.49Å; L252-M326 HydrophobicContact CD2-CE 3.73Å; L252-M326 HydrophobicContact CD2-SD 3.45Å; L252-M326 WeakPolarHBondContact CD2-SD 3.36Å; L252-M326 HydrophobicContact CG-SD 4.35Å; L252-I331 HydrophobicContact CD1-CD1 3.85Å; L252-I331 HydrophobicContact CD1-CG1 3.64Å; L252-I369 HydrophobicContact CD1-CD1 3.26Å; L252-I369 HydrophobicContact CD1-CG1 4.46Å |
| 253 | G | 92.3 | Very high | 88 | Confident | 22 Ų | 22 | 70.9 Ų | 70.9 | 23% | 0.227 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E249 E250 M255 Y256 E257 | E249-G253 PolarHBondContact O-N 3.23Å; E250-G253 PolarHBondContact O-N 3.42Å; G253-M255 VanDerWaalsContact C-N 3.33Å; G253-M255 PolarHBondContact O-N 3.45Å; G253-Y256 WeakPolarHBondContact O-CB 3.38Å; G253-Y256 PolarHBondContact O-N 3.39Å; G253-E257 PolarHBondContact O-N 2.98Å; G253-E257 VanDerWaalsContact O-N 3.09Å |
| 254 | L | 92.9 | Very high | 89.3 | Confident | 114 Ų | 114 | 67.6 Ų | 67.6 | 60% | 0.597 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.3 | -43.6 | 175.5 | -71.9 | 171.5 | 0 | 0 | 0 | 111.6 | E250 K251 Y256 E257 R258 | E250-L254 WeakPolarHBondContact O-CG 3.43Å; E250-L254 PolarHBondContact O-N 3.21Å; K251-L254 PolarHBondContact O-N 2.93Å; L254-Y256 VanDerWaalsContact C-N 3.33Å; L254-Y256 PolarHBondContact O-N 3.09Å; L254-E257 PolarHBondContact O-N 3.23Å; L254-R258 WeakPolarHBondContact O-CG 3.49Å; L254-R258 PolarHBondContact O-N 3.06Å; L254-R258 VanDerWaalsContact O-N 3.07Å |
| 255 | M | 94 | Very high | 90.3 | Very high | 7 Ų | 7 | 68.8 Ų | 68.8 | 3% | 0.034 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.1 | -35.9 | 178.1 | -166.3 | 59.2 | 72.7 | 0 | 0 | 112.2 | K251 L252 G253 R258 L259 M275 I331 I369 G373 I375 | K251-M255 PolarHBondContact O-N 2.94Å; L252-M255 PolarHBondContact O-N 3.5Å; G253-M255 VanDerWaalsContact C-N 3.33Å; G253-M255 PolarHBondContact O-N 3.45Å; M255-R258 PolarHBondContact O-N 3.45Å; M255-L259 HydrophobicContact CG-CD1 4.2Å; M255-L259 HydrophobicContact CG-CG 4.49Å; M255-L259 WeakPolarHBondContact O-CB 3.44Å; M255-L259 WeakPolarHBondContact O-CG 3.38Å; M255-L259 PolarHBondContact O-N 2.86Å; M255-M275 HydrophobicContact CE-CB 3.95Å; M255-M275 HydrophobicContact SD-CB 3.78Å; M255-M275 HydrophobicContact SD-SD 4.26Å; M255-I331 HydrophobicContact CB-CD1 4.09Å; M255-I331 HydrophobicContact CG-CD1 4.14Å; M255-I369 HydrophobicContact CB-CD1 3.88Å; M255-I369 HydrophobicContact CG-CD1 3.69Å; M255-I369 HydrophobicContact CG-CG1 4.27Å; M255-G373 WeakPolarHBondContact CE-O 3.48Å; M255-I375 HydrophobicContact CE-CG1 4.29Å; M255-I375 HydrophobicContact CG-CD1 4.35Å; M255-I375 HydrophobicContact CG-CG1 4.25Å; M255-I375 HydrophobicContact SD-CD1 3.97Å; M255-I375 HydrophobicContact SD-CG1 4.11Å |
| 256 | Y | 94.1 | Very high | 90.9 | Very high | 48 Ų | 48 | 65.2 Ų | 65.2 | 19% | 0.188 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.3 | -46 | 174.5 | 174.4 | -87 | 0 | 0 | 0 | 112 | L252 G253 L254 L259 R260 L322 K324 I331 | L252-Y256 WeakPolarHBondContact O-CB 3.49Å; L252-Y256 PolarHBondContact O-N 3.25Å; G253-Y256 WeakPolarHBondContact O-CB 3.38Å; G253-Y256 PolarHBondContact O-N 3.39Å; L254-Y256 VanDerWaalsContact C-N 3.33Å; L254-Y256 PolarHBondContact O-N 3.09Å; Y256-L259 PolarHBondContact O-N 3.44Å; Y256-R260 WeakPolarHBondContact O-CB 3.23Å; Y256-R260 PolarHBondContact O-N 3.07Å; Y256-L322 HydrophobicContact CD2-CD2 3.69Å; Y256-L322 HydrophobicContact CD2-CG 3.79Å; Y256-L322 HydrophobicContact CE1-CD2 4.34Å; Y256-L322 HydrophobicContact CE2-CB 3.88Å; Y256-L322 HydrophobicContact CE2-CD2 3.46Å; Y256-L322 VanDerWaalsContact CE2-CD2 3.46Å; Y256-L322 HydrophobicContact CE2-CG 3.38Å; Y256-L322 HydrophobicContact CG-CD2 4.24Å; Y256-K324 HydrophobicContact CD2-CB 4.08Å; Y256-I331 HydrophobicContact CD2-CG2 4.34Å |
| 257 | E | 94.3 | Very high | 91.1 | Very high | 94 Ų | 94 | 62.9 Ų | 62.9 | 44% | 0.439 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.8 | -39.1 | 177.9 | -68.5 | -55.1 | 139.3 | 0 | 0 | 112.1 | G253 L254 R260 L261 | G253-E257 PolarHBondContact O-N 2.98Å; G253-E257 VanDerWaalsContact O-N 3.09Å; L254-E257 PolarHBondContact O-N 3.23Å; E257-R260 WeakPolarHBondContact O-CB 3.48Å; E257-R260 PolarHBondContact O-N 2.8Å; E257-L261 WeakPolarHBondContact O-CG 3.41Å; E257-L261 PolarHBondContact O-N 2.78Å |
| 258 | R | 93.2 | Very high | 91 | Very high | 123 Ų | 123 | 64.5 Ų | 64.5 | 46% | 0.464 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.6 | -49.9 | 173.6 | -73.1 | -177.3 | -177.6 | -171.3 | 1.9 | 111.9 | L254 M255 R260 L261 E262 | L254-R258 WeakPolarHBondContact O-CG 3.49Å; L254-R258 PolarHBondContact O-N 3.06Å; L254-R258 VanDerWaalsContact O-N 3.07Å; M255-R258 PolarHBondContact O-N 3.45Å; R258-R260 VanDerWaalsContact C-N 3.27Å; R258-R260 PolarHBondContact O-N 2.74Å; R258-L261 PolarHBondContact O-N 2.75Å; R258-L261 VanDerWaalsContact O-N 3.14Å; R258-E262 WeakPolarHBondContact O-CB 3.45Å; R258-E262 WeakPolarHBondContact O-CG 3.49Å; R258-E262 PolarHBondContact O-N 2.61Å |
| 259 | L | 93.4 | Very high | 91 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.5 | -33.9 | 179.2 | -73.5 | 172 | 0 | 0 | 0 | 112.4 | M255 Y256 L261 L263 M275 I331 F367 I375 | M255-L259 HydrophobicContact CG-CD1 4.2Å; M255-L259 HydrophobicContact CG-CG 4.49Å; M255-L259 WeakPolarHBondContact O-CB 3.44Å; M255-L259 WeakPolarHBondContact O-CG 3.38Å; M255-L259 PolarHBondContact O-N 2.86Å; Y256-L259 PolarHBondContact O-N 3.44Å; L259-L261 VanDerWaalsContact C-N 3.27Å; L259-L261 PolarHBondContact O-N 3Å; L259-L263 HydrophobicContact CB-CD1 4.39Å; L259-L263 VanDerWaalsContact O-CB 3.29Å; L259-L263 WeakPolarHBondContact O-CB 3.46Å; L259-L263 WeakPolarHBondContact O-CD1 2.89Å; L259-L263 WeakPolarHBondContact O-CG 3.45Å; L259-L263 PolarHBondContact O-N 3.15Å; L259-M275 HydrophobicContact CD2-CE 4.16Å; L259-M275 HydrophobicContact CD2-SD 3.95Å; L259-I331 HydrophobicContact CD1-CB 4.22Å; L259-I331 HydrophobicContact CD1-CD1 3.87Å; L259-I331 HydrophobicContact CD1-CG2 4Å; L259-F367 HydrophobicContact CD1-CB 4.39Å; L259-F367 HydrophobicContact CD1-CD2 3.78Å; L259-F367 HydrophobicContact CD1-CE2 4.19Å; L259-F367 HydrophobicContact CD1-CG 4.01Å; L259-F367 HydrophobicContact CD2-CE1 4.27Å; L259-F367 HydrophobicContact CD2-CE2 4.31Å; L259-F367 HydrophobicContact CD2-CZ 4.16Å; L259-I375 HydrophobicContact CD1-CD1 4.41Å; L259-I375 HydrophobicContact CD2-CD1 4.19Å |
| 260 | R | 92.6 | Very high | 90.9 | Very high | 143 Ų | 143 | 67.2 Ų | 67.2 | 54% | 0.54 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61 | -36.4 | 175.5 | 178.8 | -174.8 | 160.4 | 119 | 0.1 | 112.2 | Y256 E257 R258 P264 L322 | Y256-R260 WeakPolarHBondContact O-CB 3.23Å; Y256-R260 PolarHBondContact O-N 3.07Å; E257-R260 WeakPolarHBondContact O-CB 3.48Å; E257-R260 PolarHBondContact O-N 2.8Å; R258-R260 VanDerWaalsContact C-N 3.27Å; R258-R260 PolarHBondContact O-N 2.74Å; R260-P264 WeakPolarHBondContact O-CD 3.34Å; R260-P264 WeakPolarHBondContact O-CG 3.33Å; R260-L322 HydrophobicContact CB-CD2 3.87Å |
| 261 | L | 92.2 | Very high | 90.7 | Very high | 110 Ų | 110 | 62 Ų | 62 | 58% | 0.576 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -85.2 | -39.5 | 179.6 | -64.1 | 174.8 | 0 | 0 | 0 | 112.7 | E257 R258 L259 N265 | E257-L261 WeakPolarHBondContact O-CG 3.41Å; E257-L261 PolarHBondContact O-N 2.78Å; R258-L261 PolarHBondContact O-N 2.75Å; R258-L261 VanDerWaalsContact O-N 3.14Å; L259-L261 VanDerWaalsContact C-N 3.27Å; L259-L261 PolarHBondContact O-N 3Å; L261-N265 PolarHBondContact O-ND2 2.97Å |
| 262 | E | 91.7 | Very high | 90.6 | Very high | 40 Ų | 40 | 61 Ų | 61 | 19% | 0.187 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -73.5 | -43 | -176.2 | -73.9 | -65.5 | 118.8 | 0 | 0 | 112.5 | R258 N265 F266 D272 M275 | R258-E262 WeakPolarHBondContact O-CB 3.45Å; R258-E262 WeakPolarHBondContact O-CG 3.49Å; R258-E262 PolarHBondContact O-N 2.61Å; E262-N265 CarbonylContact O-C 3.6Å; E262-N265 PolarHBondContact O-N 2.82Å; E262-N265 VanDerWaalsContact O-N 3.11Å; E262-F266 PolarHBondContact O-N 2.75Å; E262-D272 PolarHBondContact OE2-N 2.83Å; E262-D272 VanDerWaalsContact OE2-N 3.1Å; E262-M275 HydrophobicContact CB-CE 4.18Å; E262-M275 HydrophobicContact CG-CE 4.09Å |
| 263 | L | 91.1 | Very high | 90.4 | Very high | 12 Ų | 12 | 62.8 Ų | 62.8 | 6% | 0.063 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.9 | -49.9 | -173.5 | -73.1 | 171.6 | 0 | 0 | 0 | 113.2 | L259 N265 F266 L317 V319 L322 A333 F367 | L259-L263 HydrophobicContact CB-CD1 4.39Å; L259-L263 VanDerWaalsContact O-CB 3.29Å; L259-L263 WeakPolarHBondContact O-CB 3.46Å; L259-L263 WeakPolarHBondContact O-CD1 2.89Å; L259-L263 WeakPolarHBondContact O-CG 3.45Å; L259-L263 PolarHBondContact O-N 3.15Å; L263-N265 PolarHBondContact O-N 3.39Å; L263-F266 WeakPolarHBondContact O-CB 2.96Å; L263-F266 PolarHBondContact O-N 3.28Å; L263-L317 HydrophobicContact CB-CD2 4.37Å; L263-L317 WeakPolarHBondContact O-CD2 3.19Å; L263-V319 HydrophobicContact CB-CG2 3.58Å; L263-V319 HydrophobicContact CD1-CG2 4.29Å; L263-L322 HydrophobicContact CD1-CD1 4.37Å; L263-A333 HydrophobicContact CD1-CB 3.63Å; L263-F367 HydrophobicContact CD1-CE2 4.44Å; L263-F367 HydrophobicContact CD2-CZ 4.24Å |
| 264 | P | 89.4 | Confident | 90.4 | Very high | 53 Ų | 53 | 66.5 Ų | 66.5 | 34% | 0.344 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.7 | -31.5 | 178 | -20.5 | 32.6 | 0 | 0 | 0 | 113.2 | R260 F266 L317 V319 | R260-P264 WeakPolarHBondContact O-CD 3.34Å; R260-P264 WeakPolarHBondContact O-CG 3.33Å; P264-F266 VanDerWaalsContact C-N 3.32Å; P264-L317 WeakPolarHBondContact CA-O 3.44Å; P264-V319 HydrophobicContact CG-CG2 3.88Å |
| 265 | N | 88.7 | Confident | 90.4 | Very high | 69 Ų | 69 | 61.1 Ų | 61.1 | 37% | 0.369 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -89.6 | 4.1 | -177.6 | -66.1 | -45.7 | 0 | 0 | 0 | 113.3 | L261 E262 L263 F267 M268 T269 | L261-N265 PolarHBondContact O-ND2 2.97Å; E262-N265 CarbonylContact O-C 3.6Å; E262-N265 PolarHBondContact O-N 2.82Å; E262-N265 VanDerWaalsContact O-N 3.11Å; L263-N265 PolarHBondContact O-N 3.39Å; N265-F267 PolarHBondContact O-N 2.85Å; N265-M268 PolarHBondContact O-N 3.38Å; N265-T269 HydrophobicContact CB-CG2 4.06Å; N265-T269 VanDerWaalsContact CB-OG1 3.31Å; N265-T269 WeakPolarHBondContact CB-OG1 3.45Å; N265-T269 PolarHBondContact O-N 3.41Å; N265-T269 PolarHBondContact O-OG1 2.95Å |
| 266 | F | 88.4 | Confident | 90.4 | Very high | 24 Ų | 24 | 61.2 Ų | 61.2 | 11% | 0.105 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -28 | -175.1 | 178.6 | -98.8 | 0 | 0 | 0 | 115.2 | E262 L263 P264 H271 L301 R305 L317 | E262-F266 PolarHBondContact O-N 2.75Å; L263-F266 WeakPolarHBondContact O-CB 2.96Å; L263-F266 PolarHBondContact O-N 3.28Å; P264-F266 VanDerWaalsContact C-N 3.32Å; F266-H271 AromaticContact CD2-ND1 3.71Å; F266-L301 HydrophobicContact CE2-CD1 4.33Å; F266-L301 HydrophobicContact CE2-CD2 4.19Å; F266-L301 HydrophobicContact CZ-CB 4.48Å; F266-L301 HydrophobicContact CZ-CD2 4.12Å; F266-R305 HydrophobicContact CE1-CB 4.33Å; F266-R305 HydrophobicContact CZ-CB 4.46Å; F266-R305 PolarHBondContact O-NH1 3.39Å; F266-L317 HydrophobicContact CB-CD1 4.19Å; F266-L317 HydrophobicContact CD1-CD1 4.27Å; F266-L317 HydrophobicContact CG-CD1 4.41Å |
| 267 | F | 85.9 | Confident | 90.4 | Very high | 9 Ų | 9 | 59.6 Ų | 59.6 | 4% | 0.039 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -15.8 | 176.6 | -66.5 | -65.3 | 0 | 0 | 0 | 114.4 | N265 R305 S308 A315 L317 I337 | N265-F267 PolarHBondContact O-N 2.85Å; F267-R305 VanDerWaalsContact C-CZ 3.42Å; F267-R305 HydrophobicContact CD1-CG 4.2Å; F267-R305 PolarHBondContact O-NH1 2.9Å; F267-R305 PolarHBondContact O-NH2 3.36Å; F267-S308 VanDerWaalsContact CE1-CB 3.48Å; F267-A315 HydrophobicContact CD1-CB 4.31Å; F267-A315 HydrophobicContact CD2-CB 4.15Å; F267-A315 HydrophobicContact CE1-CB 4.45Å; F267-A315 HydrophobicContact CE2-CB 4.25Å; F267-A315 HydrophobicContact CG-CB 4.18Å; F267-A315 HydrophobicContact CZ-CB 4.42Å; F267-L317 HydrophobicContact CD2-CB 3.97Å; F267-L317 HydrophobicContact CE2-CB 3.81Å; F267-L317 HydrophobicContact CE2-CD1 4.32Å; F267-I337 HydrophobicContact CE2-CD1 4.4Å; F267-I337 HydrophobicContact CE2-CG1 4.19Å; F267-I337 HydrophobicContact CE2-CG2 4.3Å; F267-I337 HydrophobicContact CZ-CD1 4.07Å; F267-I337 HydrophobicContact CZ-CG1 4.36Å; F267-I337 HydrophobicContact CZ-CG2 4.45Å |
| 268 | M | 85.6 | Confident | 90.4 | Very high | 123 Ų | 123 | 61 Ų | 61 | 61% | 0.606 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -51.7 | -173.8 | -61.1 | -59.5 | 177.3 | 0 | 0 | 111 | N265 R305 | N265-M268 PolarHBondContact O-N 3.38Å; M268-R305 PolarHBondContact O-NH2 3.3Å |
| 269 | T | 86.4 | Confident | 90.4 | Very high | 58 Ų | 58 | 59.8 Ų | 59.8 | 36% | 0.356 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -95.3 | 160.4 | -177.2 | 58.7 | 0 | 0 | 0 | 0 | 111.6 | N265 H271 R305 | N265-T269 HydrophobicContact CB-CG2 4.06Å; N265-T269 VanDerWaalsContact CB-OG1 3.31Å; N265-T269 WeakPolarHBondContact CB-OG1 3.45Å; N265-T269 PolarHBondContact O-N 3.41Å; N265-T269 PolarHBondContact O-OG1 2.95Å; T269-H271 PolarHBondContact O-N 3.49Å; T269-R305 PolarHBondContact O-NH1 3.03Å |
| 270 | N | 85.9 | Confident | 90.5 | Very high | 149 Ų | 149 | 59.8 Ų | 59.8 | 80% | 0.797 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 130.7 | 167.6 | -72 | -57.5 | 0 | 0 | 0 | 108.7 | ||
| 271 | H | 87.8 | Confident | 90.6 | Very high | 17 Ų | 17 | 57.3 Ų | 57.3 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 130.4 | -179.2 | -172.5 | 81.8 | 0 | 0 | 0 | 110.6 | F266 T269 Y273 M275 Y276 | F266-H271 AromaticContact CD2-ND1 3.71Å; T269-H271 PolarHBondContact O-N 3.49Å; H271-Y273 HydrophobicContact CB-CE2 4.21Å; H271-Y273 AromaticContact CD2-CD1 3.95Å; H271-Y273 AromaticContact CD2-CE1 3.74Å; H271-Y273 AromaticContact CD2-CZ 3.98Å; H271-Y273 WeakPolarHBondContact O-CD2 3.47Å; H271-Y273 VanDerWaalsContact O-CE2 3.25Å; H271-Y273 WeakPolarHBondContact O-CE2 3.4Å; H271-Y273 PolarHBondContact O-N 3.34Å; H271-M275 WeakPolarHBondContact CE1-CE 3.49Å; H271-M275 WeakPolarHBondContact NE2-CE 3.13Å; H271-Y276 AromaticContact NE2-CE2 3.27Å; H271-Y276 VanDerWaalsContact NE2-CE2 3.27Å; H271-Y276 WeakPolarHBondContact NE2-CE2 3.45Å; H271-Y276 AromaticContact NE2-CZ 3.64Å; H271-Y276 PolarHBondContact NE2-OH 3.14Å |
| 272 | D | 88.8 | Confident | 90.8 | Very high | 57 Ų | 57 | 52.4 Ų | 52.4 | 31% | 0.305 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 116.1 | 174.8 | -173.1 | 4.1 | 0 | 0 | 0 | 110.8 | E262 T274 M275 | E262-D272 PolarHBondContact OE2-N 2.83Å; E262-D272 VanDerWaalsContact OE2-N 3.1Å; D272-T274 VanDerWaalsContact OD1-CB 3.31Å; D272-T274 WeakPolarHBondContact OD1-CB 3.3Å; D272-T274 VanDerWaalsContact OD1-CG2 3.32Å; D272-T274 WeakPolarHBondContact OD1-CG2 3.42Å; D272-T274 PolarHBondContact OD1-N 3.41Å; D272-T274 PolarHBondContact OD1-OG1 2.92Å; D272-T274 PolarHBondContact OD2-OG1 3.34Å; D272-M275 WeakPolarHBondContact O-CE 3.37Å; D272-M275 WeakPolarHBondContact O-CG 3.24Å |
| 273 | Y | 90.6 | Very high | 90.8 | Very high | 47 Ų | 47 | 52.3 Ų | 52.3 | 18% | 0.184 | 28% | 0.277 | C | S | . | . | trans | -91.2 | -8 | 177.9 | -65.3 | -80.2 | 0 | 0 | 0 | 113.1 | H271 M275 Y276 Y297 R298 L301 | H271-Y273 HydrophobicContact CB-CE2 4.21Å; H271-Y273 AromaticContact CD2-CD1 3.95Å; H271-Y273 AromaticContact CD2-CE1 3.74Å; H271-Y273 AromaticContact CD2-CZ 3.98Å; H271-Y273 WeakPolarHBondContact O-CD2 3.47Å; H271-Y273 VanDerWaalsContact O-CE2 3.25Å; H271-Y273 WeakPolarHBondContact O-CE2 3.4Å; H271-Y273 PolarHBondContact O-N 3.34Å; Y273-M275 PolarHBondContact O-N 3.05Å; Y273-Y276 PolarHBondContact O-N 3.39Å; Y273-Y297 HydrophobicContact CD1-CD1 4.38Å; Y273-Y297 HydrophobicContact CD1-CE1 4.47Å; Y273-Y297 HydrophobicContact CE1-CD1 4.48Å; Y273-R298 HydrophobicContact CD1-CB 4.19Å; Y273-R298 HydrophobicContact CD1-CG 4.36Å; Y273-R298 HydrophobicContact CD2-CG 4.43Å; Y273-R298 HydrophobicContact CE1-CB 3.86Å; Y273-R298 HydrophobicContact CE1-CG 3.88Å; Y273-R298 HydrophobicContact CE2-CG 3.97Å; Y273-L301 HydrophobicContact CE1-CD1 4.04Å | ||
| 274 | T | 91.1 | Very high | 90.8 | Very high | 99 Ų | 99 | 52 Ų | 52 | 61% | 0.607 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -18.6 | -179 | 68.3 | 0 | 0 | 0 | 0 | 112.9 | D272 Y276 | D272-T274 VanDerWaalsContact OD1-CB 3.31Å; D272-T274 WeakPolarHBondContact OD1-CB 3.3Å; D272-T274 VanDerWaalsContact OD1-CG2 3.32Å; D272-T274 WeakPolarHBondContact OD1-CG2 3.42Å; D272-T274 PolarHBondContact OD1-N 3.41Å; D272-T274 PolarHBondContact OD1-OG1 2.92Å; D272-T274 PolarHBondContact OD2-OG1 3.34Å; T274-Y276 PolarHBondContact O-N 2.99Å |
| 275 | M | 92.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -5.1 | 175.2 | 65.4 | 176 | 161.8 | 0 | 0 | 114.5 | M255 L259 E262 H271 D272 Y273 I375 | M255-M275 HydrophobicContact CE-CB 3.95Å; M255-M275 HydrophobicContact SD-CB 3.78Å; M255-M275 HydrophobicContact SD-SD 4.26Å; L259-M275 HydrophobicContact CD2-CE 4.16Å; L259-M275 HydrophobicContact CD2-SD 3.95Å; E262-M275 HydrophobicContact CB-CE 4.18Å; E262-M275 HydrophobicContact CG-CE 4.09Å; H271-M275 WeakPolarHBondContact CE1-CE 3.49Å; H271-M275 WeakPolarHBondContact NE2-CE 3.13Å; D272-M275 WeakPolarHBondContact O-CE 3.37Å; D272-M275 WeakPolarHBondContact O-CG 3.24Å; Y273-M275 PolarHBondContact O-N 3.05Å; M275-I375 HydrophobicContact CG-CD1 4.28Å; M275-I375 PolarHBondContact O-N 3.26Å; M275-I375 HydrophobicContact SD-CD1 4.26Å |
| 276 | Y | 94.8 | Very high | 90.3 | Very high | 9 Ų | 9 | 50.6 Ų | 50.6 | 4% | 0.035 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 146.3 | -179 | -61.1 | -90 | 0 | 0 | 0 | 111.5 | H271 Y273 T274 V280 Y297 I375 | H271-Y276 AromaticContact NE2-CE2 3.27Å; H271-Y276 VanDerWaalsContact NE2-CE2 3.27Å; H271-Y276 WeakPolarHBondContact NE2-CE2 3.45Å; H271-Y276 AromaticContact NE2-CZ 3.64Å; H271-Y276 PolarHBondContact NE2-OH 3.14Å; Y273-Y276 PolarHBondContact O-N 3.39Å; T274-Y276 PolarHBondContact O-N 2.99Å; Y276-V280 HydrophobicContact CD1-CG2 4.03Å; Y276-Y297 HydrophobicContact CD1-CD1 4.33Å; Y276-Y297 AromaticContact CD1-CE1 3.62Å; Y276-Y297 HydrophobicContact CD1-CE1 3.62Å; Y276-Y297 AromaticContact CD2-CE1 3.93Å; Y276-Y297 HydrophobicContact CD2-CE1 3.93Å; Y276-Y297 AromaticContact CE1-CE1 3.46Å; Y276-Y297 HydrophobicContact CE1-CE1 3.46Å; Y276-Y297 VanDerWaalsContact CE1-CE1 3.46Å; Y276-Y297 AromaticContact CE1-CZ 3.52Å; Y276-Y297 WeakPolarHBondContact CE1-OH 3.37Å; Y276-Y297 AromaticContact CE2-CE1 3.82Å; Y276-Y297 HydrophobicContact CE2-CE1 3.82Å; Y276-Y297 HydrophobicContact CG-CD1 4.36Å; Y276-Y297 AromaticContact CG-CE1 3.84Å; Y276-Y297 HydrophobicContact CG-CE1 3.84Å; Y276-Y297 AromaticContact CZ-CE1 3.58Å; Y276-Y297 AromaticContact CZ-CZ 3.76Å; Y276-Y297 PolarHBondContact OH-OH 2.85Å; Y276-I375 HydrophobicContact CD1-CB 3.68Å; Y276-I375 HydrophobicContact CD1-CD1 4.12Å; Y276-I375 HydrophobicContact CD1-CG1 4.48Å; Y276-I375 HydrophobicContact CD1-CG2 3.75Å; Y276-I375 HydrophobicContact CE1-CB 4.03Å; Y276-I375 HydrophobicContact CE1-CD1 3.71Å; Y276-I375 HydrophobicContact CE1-CG1 4.49Å; Y276-I375 HydrophobicContact CE1-CG2 3.85Å; Y276-I375 HydrophobicContact CG-CB 4.42Å |
| 277 | S | 95 | Very high | 90 | Very high | 14 Ų | 14 | 54 Ų | 54 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 151.5 | 170.3 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | D279 V280 I375 H376 | S277-D279 PolarHBondContact O-N 3.26Å; S277-D279 PolarHBondContact OG-N 2.92Å; S277-V280 WeakPolarHBondContact O-CB 3.29Å; S277-V280 PolarHBondContact O-N 2.84Å; S277-I375 PolarHBondContact N-O 3.44Å; S277-H376 PolarHBondContact OG-CE1 2.96Å |
| 278 | N | 93.6 | Very high | 90 | Very high | 124 Ų | 124 | 60.5 Ų | 60.5 | 66% | 0.663 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.4 | -32.1 | 176.2 | -74.7 | -47.1 | 0 | 0 | 0 | 112.5 | G293 L294 | N278-G293 WeakPolarHBondContact O-CA 3.18Å; N278-L294 WeakPolarHBondContact O-CB 3.21Å; N278-L294 PolarHBondContact O-N 2.85Å |
| 279 | D | 93.1 | Very high | 90.1 | Very high | 98 Ų | 98 | 59.8 Ų | 59.8 | 52% | 0.524 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 29.4 | -179.3 | -73.4 | -37.3 | 0 | 0 | 0 | 113 | S277 E281 | S277-D279 PolarHBondContact O-N 3.26Å; S277-D279 PolarHBondContact OG-N 2.92Å; D279-E281 PolarHBondContact O-N 3.16Å |
| 280 | V | 94.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 133.4 | -178.7 | 65 | 0 | 0 | 0 | 0 | 112.7 | Y276 S277 G293 L294 Y297 H376 | Y276-V280 HydrophobicContact CD1-CG2 4.03Å; S277-V280 WeakPolarHBondContact O-CB 3.29Å; S277-V280 PolarHBondContact O-N 2.84Å; V280-G293 PolarHBondContact O-N 2.71Å; V280-L294 HydrophobicContact CG1-CB 4.44Å; V280-L294 HydrophobicContact CG1-CD1 4.19Å; V280-Y297 HydrophobicContact CG1-CD1 4.16Å; V280-Y297 HydrophobicContact CG1-CG 4.01Å; V280-H376 CarbonylContact C-O 3.55Å; V280-H376 VanDerWaalsContact CA-O 3.3Å; V280-H376 WeakPolarHBondContact CA-O 3.32Å |
| 281 | E | 95.2 | Very high | 90.7 | Very high | 91 Ų | 91 | 59.6 Ų | 59.6 | 43% | 0.425 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 114.9 | 172.7 | -64.7 | -166.8 | 168.9 | 0 | 0 | 110.7 | D279 R292 H376 C377 H378 | D279-E281 PolarHBondContact O-N 3.16Å; E281-R292 HydrophobicContact CG-CG 4.33Å; E281-H376 PolarHBondContact N-O 2.88Å; E281-C377 HydrophobicContact CB-CB 4.31Å; E281-C377 CarbonylContact O-C 3.51Å; E281-C377 VanDerWaalsContact O-CA 3.24Å; E281-C377 WeakPolarHBondContact O-CA 3.42Å; E281-C377 PolarHBondContact O-SG 3.43Å; E281-H378 PolarHBondContact O-N 3.46Å |
| 282 | F | 95.5 | Very high | 91 | Very high | 6 Ų | 6 | 67.1 Ų | 67.1 | 3% | 0.026 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 117.6 | 174.6 | -176 | -120.5 | 0 | 0 | 0 | 110.8 | N284 K290 T291 Y297 T300 H378 V380 | F282-N284 HydrophobicContact CD1-CB 4.35Å; F282-N284 HydrophobicContact CE1-CB 3.7Å; F282-N284 HydrophobicContact CZ-CB 4.02Å; F282-K290 CarbonylContact O-C 3.58Å; F282-K290 WeakPolarHBondContact O-CA 3.45Å; F282-T291 PolarHBondContact N-O 2.76Å; F282-T291 PolarHBondContact O-N 2.9Å; F282-Y297 HydrophobicContact CB-CD2 3.69Å; F282-Y297 HydrophobicContact CB-CE2 4.25Å; F282-Y297 HydrophobicContact CD1-CD2 4.41Å; F282-Y297 AromaticContact CD2-CD2 3.77Å; F282-Y297 HydrophobicContact CD2-CD2 3.77Å; F282-Y297 AromaticContact CD2-CE2 3.49Å; F282-Y297 HydrophobicContact CD2-CE2 3.49Å; F282-Y297 VanDerWaalsContact CD2-CE2 3.49Å; F282-Y297 AromaticContact CE2-CE2 3.98Å; F282-Y297 HydrophobicContact CE2-CE2 3.98Å; F282-Y297 AromaticContact CG-CD2 3.7Å; F282-Y297 HydrophobicContact CG-CD2 3.7Å; F282-Y297 AromaticContact CG-CE2 3.94Å; F282-Y297 HydrophobicContact CG-CE2 3.94Å; F282-T300 HydrophobicContact CD1-CG2 3.92Å; F282-T300 HydrophobicContact CE1-CG2 3.55Å; F282-H378 WeakPolarHBondContact CA-O 3.25Å; F282-H378 HydrophobicContact CD2-CB 4.12Å; F282-H378 AromaticContact CD2-ND1 3.83Å; F282-H378 WeakPolarHBondContact CD2-O 3.3Å; F282-H378 AromaticContact CE2-CE1 3.95Å; F282-H378 AromaticContact CE2-ND1 3.65Å; F282-V380 HydrophobicContact CE2-CG2 3.77Å; F282-V380 HydrophobicContact CZ-CG2 4.16Å |
| 283 | I | 93.1 | Very high | 91.3 | Very high | 38 Ų | 38 | 65.1 Ų | 65.1 | 20% | 0.195 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 102.1 | 178.3 | -56.8 | 174.5 | 0 | 0 | 0 | 108 | G285 K290 H378 K379 V380 | I283-G285 PolarHBondContact O-N 3.49Å; I283-K290 HydrophobicContact CG1-CD 4.48Å; I283-K290 HydrophobicContact CG1-CG 4.26Å; I283-K290 HydrophobicContact CG2-CG 4.3Å; I283-H378 PolarHBondContact N-O 2.64Å; I283-K379 HydrophobicContact CB-CB 4.28Å; I283-K379 HydrophobicContact CB-CG 4.01Å; I283-K379 HydrophobicContact CG2-CG 4.05Å; I283-K379 CarbonylContact O-C 3.46Å; I283-K379 WeakPolarHBondContact O-CA 3.29Å; I283-V380 PolarHBondContact O-N 3.32Å |
| 284 | N | 90.4 | Very high | 91.4 | Very high | 5 Ų | 5 | 64.7 Ų | 64.7 | 3% | 0.027 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 93.8 | 177.5 | -170.7 | 0.2 | 0 | 0 | 0 | 110.8 | F282 L286 L287 N288 M289 W304 | F282-N284 HydrophobicContact CD1-CB 4.35Å; F282-N284 HydrophobicContact CE1-CB 3.7Å; F282-N284 HydrophobicContact CZ-CB 4.02Å; N284-L286 PolarHBondContact O-N 2.98Å; N284-L286 WeakPolarHBondContact OD1-CB 3.5Å; N284-L286 PolarHBondContact OD1-N 2.78Å; N284-L287 PolarHBondContact O-N 2.73Å; N284-N288 CarbonylContact O-C 3.56Å; N284-N288 WeakPolarHBondContact O-CA 3.42Å; N284-N288 PolarHBondContact O-N 2.85Å; N284-M289 PolarHBondContact N-O 3.35Å; N284-M289 PolarHBondContact O-N 3.41Å; N284-W304 WeakPolarHBondContact ND2-CZ2 3.44Å; N284-W304 PolarHBondContact ND2-NE1 3.2Å |
| 285 | G | 85.4 | Confident | 91.6 | Very high | 28 Ų | 28 | 65.2 Ų | 65.2 | 29% | 0.289 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -9.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | I283 V380 | I283-G285 PolarHBondContact O-N 3.49Å; G285-V380 WeakPolarHBondContact CA-O 3.37Å; G285-V380 PolarHBondContact N-O 3.07Å |
| 286 | L | 83.4 | Confident | 91.6 | Very high | 65 Ų | 65 | 66.2 Ų | 66.2 | 34% | 0.34 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -37.7 | 171.7 | -58.8 | 164.7 | 0 | 0 | 0 | 111.5 | N284 W304 V380 K382 | N284-L286 PolarHBondContact O-N 2.98Å; N284-L286 WeakPolarHBondContact OD1-CB 3.5Å; N284-L286 PolarHBondContact OD1-N 2.78Å; L286-W304 HydrophobicContact CD1-CH2 4.41Å; L286-V380 HydrophobicContact CD1-CG1 3.74Å; L286-V380 HydrophobicContact CG-CG1 4.1Å; L286-K382 HydrophobicContact CD2-CB 3.61Å; L286-K382 HydrophobicContact CD2-CD 4.33Å; L286-K382 HydrophobicContact CD2-CG 3.85Å |
| 287 | L | 81.8 | Confident | 91.5 | Very high | 95 Ų | 95 | 65.8 Ų | 65.8 | 50% | 0.497 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | -1.4 | 179.8 | -71.6 | 171.5 | 0 | 0 | 0 | 112.9 | N284 M289 W304 | N284-L287 PolarHBondContact O-N 2.73Å; L287-M289 HydrophobicContact CB-CB 4.42Å; L287-M289 HydrophobicContact CB-CG 4.05Å; L287-M289 HydrophobicContact CB-SD 4.19Å; L287-M289 HydrophobicContact CD1-SD 4.35Å; L287-M289 PolarHBondContact O-N 2.88Å; L287-W304 HydrophobicContact CD1-CH2 4.4Å; L287-W304 HydrophobicContact CD1-CZ2 3.47Å; L287-W304 VanDerWaalsContact CD1-CZ2 3.47Å; L287-W304 HydrophobicContact CG-CZ2 3.99Å |
| 288 | N | 85.4 | Confident | 91.5 | Very high | 146 Ų | 146 | 72.3 Ų | 72.3 | 78% | 0.781 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 37.7 | -169.2 | -64.8 | -44.4 | 0 | 0 | 0 | 113.5 | N284 | N284-N288 CarbonylContact O-C 3.56Å; N284-N288 WeakPolarHBondContact O-CA 3.42Å; N284-N288 PolarHBondContact O-N 2.85Å |
| 289 | M | 87.8 | Confident | 91.5 | Very high | 109 Ų | 109 | 71.9 Ų | 71.9 | 54% | 0.537 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 145.3 | 178.7 | -70.4 | -179.5 | 69.9 | 0 | 0 | 110.8 | N284 L287 | N284-M289 PolarHBondContact N-O 3.35Å; N284-M289 PolarHBondContact O-N 3.41Å; L287-M289 HydrophobicContact CB-CB 4.42Å; L287-M289 HydrophobicContact CB-CG 4.05Å; L287-M289 HydrophobicContact CB-SD 4.19Å; L287-M289 HydrophobicContact CD1-SD 4.35Å; L287-M289 PolarHBondContact O-N 2.88Å |
| 290 | K | 92.4 | Very high | 91.4 | Very high | 167 Ų | 167 | 68.7 Ų | 68.7 | 73% | 0.726 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 133.3 | 172.2 | -63.1 | -175.2 | -179.1 | -179.4 | 0 | 109.3 | F282 I283 | F282-K290 CarbonylContact O-C 3.58Å; F282-K290 WeakPolarHBondContact O-CA 3.45Å; I283-K290 HydrophobicContact CG1-CD 4.48Å; I283-K290 HydrophobicContact CG1-CG 4.26Å; I283-K290 HydrophobicContact CG2-CG 4.3Å |
| 291 | T | 92.6 | Very high | 91.3 | Very high | 35 Ų | 35 | 69.3 Ų | 69.3 | 22% | 0.215 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 135.9 | 178.1 | -53.5 | 0 | 0 | 0 | 0 | 107.9 | F282 | F282-T291 PolarHBondContact N-O 2.76Å; F282-T291 PolarHBondContact O-N 2.9Å |
| 292 | R | 94.1 | Very high | 91.2 | Very high | 175 Ų | 175 | 67.5 Ų | 67.5 | 66% | 0.66 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 142 | 177.9 | -176.9 | 173.2 | 171 | -176.9 | -2 | 109.8 | E281 | E281-R292 HydrophobicContact CG-CG 4.33Å |
| 293 | G | 94 | Very high | 91 | Very high | 15 Ų | 15 | 71.9 Ų | 71.9 | 16% | 0.155 | 37% | 0.373 | C | S | . | . | S | Bend | trans | 95.8 | 147.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | N278 V280 T295 G296 Y297 | N278-G293 WeakPolarHBondContact O-CA 3.18Å; V280-G293 PolarHBondContact O-N 2.71Å; G293-T295 PolarHBondContact O-N 2.78Å; G293-G296 PolarHBondContact O-N 2.83Å; G293-Y297 PolarHBondContact O-N 2.96Å |
| 294 | L | 93.7 | Very high | 90.8 | Very high | 38 Ų | 38 | 74 Ų | 74 | 20% | 0.199 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.4 | -38.7 | -174.2 | -174.2 | 63.1 | 0 | 0 | 0 | 113.1 | N278 V280 Y297 R298 | N278-L294 WeakPolarHBondContact O-CB 3.21Å; N278-L294 PolarHBondContact O-N 2.85Å; V280-L294 HydrophobicContact CG1-CB 4.44Å; V280-L294 HydrophobicContact CG1-CD1 4.19Å; L294-Y297 HydrophobicContact CD1-CD1 4.42Å; L294-Y297 WeakPolarHBondContact O-CB 3.38Å; L294-Y297 PolarHBondContact O-N 2.89Å; L294-R298 WeakPolarHBondContact O-CB 3.43Å; L294-R298 PolarHBondContact O-N 2.77Å |
| 295 | T | 94.1 | Very high | 90.9 | Very high | 110 Ų | 110 | 76.4 Ų | 76.4 | 68% | 0.675 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63.6 | -45.4 | 177.5 | -52.4 | 0 | 0 | 0 | 0 | 111.4 | G293 Y297 R298 L299 | G293-T295 PolarHBondContact O-N 2.78Å; T295-Y297 VanDerWaalsContact C-N 3.31Å; T295-Y297 PolarHBondContact O-N 3.38Å; T295-R298 PolarHBondContact O-N 2.68Å; T295-L299 HydrophobicContact CG2-CD1 4.32Å; T295-L299 VanDerWaalsContact O-CG 3.32Å; T295-L299 WeakPolarHBondContact O-CG 3.46Å; T295-L299 PolarHBondContact O-N 2.96Å |
| 296 | G | 92.6 | Very high | 91.1 | Very high | 22 Ų | 22 | 81.2 Ų | 81.2 | 23% | 0.227 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G293 T300 | G293-G296 PolarHBondContact O-N 2.83Å; G296-T300 WeakPolarHBondContact O-CB 3.3Å; G296-T300 PolarHBondContact O-N 2.8Å; G296-T300 PolarHBondContact O-OG1 3.2Å |
| 297 | Y | 93.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 82.4 Ų | 82.4 | 0% | 0.004 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.9 | -48.5 | 175 | -179.9 | -116.5 | 0 | 0 | 0 | 112.6 | Y273 Y276 V280 F282 G293 L294 T295 L299 T300 L301 H378 | Y273-Y297 HydrophobicContact CD1-CD1 4.38Å; Y273-Y297 HydrophobicContact CD1-CE1 4.47Å; Y273-Y297 HydrophobicContact CE1-CD1 4.48Å; Y276-Y297 HydrophobicContact CD1-CD1 4.33Å; Y276-Y297 AromaticContact CD1-CE1 3.62Å; Y276-Y297 HydrophobicContact CD1-CE1 3.62Å; Y276-Y297 AromaticContact CD2-CE1 3.93Å; Y276-Y297 HydrophobicContact CD2-CE1 3.93Å; Y276-Y297 AromaticContact CE1-CE1 3.46Å; Y276-Y297 HydrophobicContact CE1-CE1 3.46Å; Y276-Y297 VanDerWaalsContact CE1-CE1 3.46Å; Y276-Y297 AromaticContact CE1-CZ 3.52Å; Y276-Y297 WeakPolarHBondContact CE1-OH 3.37Å; Y276-Y297 AromaticContact CE2-CE1 3.82Å; Y276-Y297 HydrophobicContact CE2-CE1 3.82Å; Y276-Y297 HydrophobicContact CG-CD1 4.36Å; Y276-Y297 AromaticContact CG-CE1 3.84Å; Y276-Y297 HydrophobicContact CG-CE1 3.84Å; Y276-Y297 AromaticContact CZ-CE1 3.58Å; Y276-Y297 AromaticContact CZ-CZ 3.76Å; Y276-Y297 PolarHBondContact OH-OH 2.85Å; V280-Y297 HydrophobicContact CG1-CD1 4.16Å; V280-Y297 HydrophobicContact CG1-CG 4.01Å; F282-Y297 HydrophobicContact CB-CD2 3.69Å; F282-Y297 HydrophobicContact CB-CE2 4.25Å; F282-Y297 HydrophobicContact CD1-CD2 4.41Å; F282-Y297 AromaticContact CD2-CD2 3.77Å; F282-Y297 HydrophobicContact CD2-CD2 3.77Å; F282-Y297 AromaticContact CD2-CE2 3.49Å; F282-Y297 HydrophobicContact CD2-CE2 3.49Å; F282-Y297 VanDerWaalsContact CD2-CE2 3.49Å; F282-Y297 AromaticContact CE2-CE2 3.98Å; F282-Y297 HydrophobicContact CE2-CE2 3.98Å; F282-Y297 AromaticContact CG-CD2 3.7Å; F282-Y297 HydrophobicContact CG-CD2 3.7Å; F282-Y297 AromaticContact CG-CE2 3.94Å; F282-Y297 HydrophobicContact CG-CE2 3.94Å; G293-Y297 PolarHBondContact O-N 2.96Å; L294-Y297 HydrophobicContact CD1-CD1 4.42Å; L294-Y297 WeakPolarHBondContact O-CB 3.38Å; L294-Y297 PolarHBondContact O-N 2.89Å; T295-Y297 VanDerWaalsContact C-N 3.31Å; T295-Y297 PolarHBondContact O-N 3.38Å; Y297-L299 PolarHBondContact O-N 3.23Å; Y297-T300 PolarHBondContact O-N 3.49Å; Y297-L301 HydrophobicContact CD1-CD1 4.15Å; Y297-L301 HydrophobicContact CD2-CD1 4.43Å; Y297-L301 HydrophobicContact CD2-CG 4.27Å; Y297-L301 HydrophobicContact CE1-CD1 3.45Å; Y297-L301 VanDerWaalsContact CE1-CD1 3.45Å; Y297-L301 HydrophobicContact CE1-CG 4.29Å; Y297-L301 HydrophobicContact CE2-CD1 3.79Å; Y297-L301 HydrophobicContact CE2-CD2 4.23Å; Y297-L301 HydrophobicContact CE2-CG 3.84Å; Y297-L301 PolarHBondContact O-N 3.03Å; Y297-L301 WeakPolarHBondContact OH-CD1 3.39Å; Y297-H378 HydrophobicContact CE2-CB 4.36Å; Y297-H378 AromaticContact CE2-ND1 3.57Å; Y297-H378 AromaticContact CZ-ND1 3.65Å; Y297-H378 PolarHBondContact OH-ND1 2.91Å |
| 298 | R | 94.1 | Very high | 91.8 | Very high | 150 Ų | 150 | 78.4 Ų | 78.4 | 57% | 0.566 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -58.8 | -47.4 | 177.9 | 179 | 170.5 | -177.7 | -174 | 2.2 | 111.5 | Y273 L294 T295 T300 L301 S302 | Y273-R298 HydrophobicContact CD1-CB 4.19Å; Y273-R298 HydrophobicContact CD1-CG 4.36Å; Y273-R298 HydrophobicContact CD2-CG 4.43Å; Y273-R298 HydrophobicContact CE1-CB 3.86Å; Y273-R298 HydrophobicContact CE1-CG 3.88Å; Y273-R298 HydrophobicContact CE2-CG 3.97Å; L294-R298 WeakPolarHBondContact O-CB 3.43Å; L294-R298 PolarHBondContact O-N 2.77Å; T295-R298 PolarHBondContact O-N 2.68Å; R298-T300 VanDerWaalsContact C-N 3.33Å; R298-T300 PolarHBondContact O-N 3.23Å; R298-L301 PolarHBondContact O-N 3.23Å; R298-S302 VanDerWaalsContact O-CB 3.27Å; R298-S302 WeakPolarHBondContact O-CB 3.34Å; R298-S302 PolarHBondContact O-N 3.35Å; R298-S302 PolarHBondContact O-OG 2.83Å |
| 299 | L | 93.6 | Very high | 91.8 | Very high | 116 Ų | 116 | 75.4 Ų | 75.4 | 61% | 0.607 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -60.9 | -43.9 | 176.9 | -70.9 | 173.7 | 0 | 0 | 0 | 111.5 | T295 Y297 S302 L303 | T295-L299 HydrophobicContact CG2-CD1 4.32Å; T295-L299 VanDerWaalsContact O-CG 3.32Å; T295-L299 WeakPolarHBondContact O-CG 3.46Å; T295-L299 PolarHBondContact O-N 2.96Å; Y297-L299 PolarHBondContact O-N 3.23Å; L299-S302 PolarHBondContact O-N 3.29Å; L299-L303 VanDerWaalsContact O-CB 3.29Å; L299-L303 WeakPolarHBondContact O-CB 3.28Å; L299-L303 PolarHBondContact O-N 3.18Å |
| 300 | T | 92.3 | Very high | 91.8 | Very high | 30 Ų | 30 | 73.5 Ų | 73.5 | 18% | 0.184 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.6 | -47.9 | 179.6 | -58 | 0 | 0 | 0 | 0 | 111.5 | F282 G296 Y297 R298 S302 L303 W304 | F282-T300 HydrophobicContact CD1-CG2 3.92Å; F282-T300 HydrophobicContact CE1-CG2 3.55Å; G296-T300 WeakPolarHBondContact O-CB 3.3Å; G296-T300 PolarHBondContact O-N 2.8Å; G296-T300 PolarHBondContact O-OG1 3.2Å; Y297-T300 PolarHBondContact O-N 3.49Å; R298-T300 VanDerWaalsContact C-N 3.33Å; R298-T300 PolarHBondContact O-N 3.23Å; T300-S302 VanDerWaalsContact C-N 3.35Å; T300-S302 PolarHBondContact O-N 3.27Å; T300-L303 PolarHBondContact O-N 3.11Å; T300-W304 VanDerWaalsContact O-CD1 3.22Å; T300-W304 PolarHBondContact O-N 2.72Å |
| 301 | L | 92.1 | Very high | 91.6 | Very high | 13 Ų | 13 | 70 Ų | 70 | 7% | 0.068 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 176.7 | -76.6 | -173.2 | 0 | 0 | 0 | 112.5 | F266 Y273 Y297 R298 L303 W304 R305 | F266-L301 HydrophobicContact CE2-CD1 4.33Å; F266-L301 HydrophobicContact CE2-CD2 4.19Å; F266-L301 HydrophobicContact CZ-CB 4.48Å; F266-L301 HydrophobicContact CZ-CD2 4.12Å; Y273-L301 HydrophobicContact CE1-CD1 4.04Å; Y297-L301 HydrophobicContact CD1-CD1 4.15Å; Y297-L301 HydrophobicContact CD2-CD1 4.43Å; Y297-L301 HydrophobicContact CD2-CG 4.27Å; Y297-L301 HydrophobicContact CE1-CD1 3.45Å; Y297-L301 VanDerWaalsContact CE1-CD1 3.45Å; Y297-L301 HydrophobicContact CE1-CG 4.29Å; Y297-L301 HydrophobicContact CE2-CD1 3.79Å; Y297-L301 HydrophobicContact CE2-CD2 4.23Å; Y297-L301 HydrophobicContact CE2-CG 3.84Å; Y297-L301 PolarHBondContact O-N 3.03Å; Y297-L301 WeakPolarHBondContact OH-CD1 3.39Å; R298-L301 PolarHBondContact O-N 3.23Å; L301-L303 VanDerWaalsContact C-N 3.35Å; L301-W304 PolarHBondContact O-N 2.87Å; L301-R305 WeakPolarHBondContact O-CB 3.38Å; L301-R305 PolarHBondContact O-N 2.6Å |
| 302 | S | 92.3 | Very high | 91.4 | Very high | 54 Ų | 54 | 69.1 Ų | 69.1 | 38% | 0.378 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 178 | -57.1 | 0 | 0 | 0 | 0 | 111 | R298 L299 T300 R305 F306 | R298-S302 VanDerWaalsContact O-CB 3.27Å; R298-S302 WeakPolarHBondContact O-CB 3.34Å; R298-S302 PolarHBondContact O-N 3.35Å; R298-S302 PolarHBondContact O-OG 2.83Å; L299-S302 PolarHBondContact O-N 3.29Å; T300-S302 VanDerWaalsContact C-N 3.35Å; T300-S302 PolarHBondContact O-N 3.27Å; S302-R305 PolarHBondContact O-N 3.33Å; S302-F306 WeakPolarHBondContact O-CB 3.27Å; S302-F306 PolarHBondContact O-N 3.05Å |
| 303 | L | 92.3 | Very high | 90.9 | Very high | 97 Ų | 97 | 63.1 Ų | 63.1 | 51% | 0.508 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 173.4 | 179.4 | 63.1 | 0 | 0 | 0 | 111.4 | L299 T300 L301 R305 F306 L307 | L299-L303 VanDerWaalsContact O-CB 3.29Å; L299-L303 WeakPolarHBondContact O-CB 3.28Å; L299-L303 PolarHBondContact O-N 3.18Å; T300-L303 PolarHBondContact O-N 3.11Å; L301-L303 VanDerWaalsContact C-N 3.35Å; L303-R305 VanDerWaalsContact C-N 3.33Å; L303-R305 PolarHBondContact O-N 2.89Å; L303-F306 PolarHBondContact O-N 3.1Å; L303-L307 HydrophobicContact CD1-CD1 4.17Å; L303-L307 HydrophobicContact CD1-CG 4.1Å; L303-L307 HydrophobicContact CG-CD1 3.97Å; L303-L307 HydrophobicContact CG-CG 4.33Å; L303-L307 WeakPolarHBondContact O-CB 3.33Å; L303-L307 VanDerWaalsContact O-CG 3.27Å; L303-L307 WeakPolarHBondContact O-CG 3.4Å; L303-L307 PolarHBondContact O-N 2.97Å |
| 304 | W | 89.2 | Confident | 90.3 | Very high | 83 Ų | 83 | 65.9 Ų | 65.9 | 31% | 0.314 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 176.2 | -91.3 | 102 | 0 | 0 | 0 | 112.6 | N284 L286 L287 T300 L301 S308 | N284-W304 WeakPolarHBondContact ND2-CZ2 3.44Å; N284-W304 PolarHBondContact ND2-NE1 3.2Å; L286-W304 HydrophobicContact CD1-CH2 4.41Å; L287-W304 HydrophobicContact CD1-CH2 4.4Å; L287-W304 HydrophobicContact CD1-CZ2 3.47Å; L287-W304 VanDerWaalsContact CD1-CZ2 3.47Å; L287-W304 HydrophobicContact CG-CZ2 3.99Å; T300-W304 VanDerWaalsContact O-CD1 3.22Å; T300-W304 PolarHBondContact O-N 2.72Å; L301-W304 PolarHBondContact O-N 2.87Å; W304-S308 WeakPolarHBondContact O-CB 3.33Å; W304-S308 PolarHBondContact O-N 3.07Å; W304-S308 PolarHBondContact O-OG 2.81Å |
| 305 | R | 90.9 | Very high | 90 | Very high | 56 Ų | 56 | 64.3 Ų | 64.3 | 21% | 0.211 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.9 | -47.2 | 174.6 | -179.1 | 174.1 | 168.3 | 137.6 | -10.4 | 110.9 | F266 F267 M268 T269 L301 S302 L303 S308 L309 | F266-R305 HydrophobicContact CE1-CB 4.33Å; F266-R305 HydrophobicContact CZ-CB 4.46Å; F266-R305 PolarHBondContact O-NH1 3.39Å; F267-R305 VanDerWaalsContact C-CZ 3.42Å; F267-R305 HydrophobicContact CD1-CG 4.2Å; F267-R305 PolarHBondContact O-NH1 2.9Å; F267-R305 PolarHBondContact O-NH2 3.36Å; M268-R305 PolarHBondContact O-NH2 3.3Å; T269-R305 PolarHBondContact O-NH1 3.03Å; L301-R305 WeakPolarHBondContact O-CB 3.38Å; L301-R305 PolarHBondContact O-N 2.6Å; S302-R305 PolarHBondContact O-N 3.33Å; L303-R305 VanDerWaalsContact C-N 3.33Å; L303-R305 PolarHBondContact O-N 2.89Å; R305-S308 WeakPolarHBondContact O-CB 3.3Å; R305-S308 PolarHBondContact O-N 2.92Å; R305-L309 HydrophobicContact CG-CD1 4.15Å; R305-L309 WeakPolarHBondContact O-CG 3.38Å; R305-L309 PolarHBondContact O-N 2.86Å |
| 306 | F | 90.8 | Very high | 89.7 | Confident | 128 Ų | 128 | 65.6 Ų | 65.6 | 56% | 0.561 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -60.9 | -50 | 177.7 | -179.7 | -103.2 | 0 | 0 | 0 | 112.1 | S302 L303 S308 L309 C310 | S302-F306 WeakPolarHBondContact O-CB 3.27Å; S302-F306 PolarHBondContact O-N 3.05Å; L303-F306 PolarHBondContact O-N 3.1Å; F306-S308 PolarHBondContact O-N 3.47Å; F306-L309 CarbonylContact O-C 3.56Å; F306-L309 PolarHBondContact O-N 3.37Å; F306-L309 VanDerWaalsContact O-N 3.07Å; F306-C310 VanDerWaalsContact CE1-SG 3.6Å; F306-C310 WeakPolarHBondContact CZ-SG 3.41Å; F306-C310 PolarHBondContact O-N 3.02Å; F306-C310 PolarHBondContact O-SG 3.28Å; F306-C310 VanDerWaalsContact O-SG 3.35Å |
| 307 | L | 90.8 | Very high | 89.7 | Confident | 90 Ų | 90 | 65.1 Ų | 65.1 | 47% | 0.471 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.6 | -37.9 | 177 | -70.7 | 173.9 | 0 | 0 | 0 | 112 | L303 C310 Y311 | L303-L307 HydrophobicContact CD1-CD1 4.17Å; L303-L307 HydrophobicContact CD1-CG 4.1Å; L303-L307 HydrophobicContact CG-CD1 3.97Å; L303-L307 HydrophobicContact CG-CG 4.33Å; L303-L307 WeakPolarHBondContact O-CB 3.33Å; L303-L307 VanDerWaalsContact O-CG 3.27Å; L303-L307 WeakPolarHBondContact O-CG 3.4Å; L303-L307 PolarHBondContact O-N 2.97Å; L307-C310 PolarHBondContact O-N 2.78Å; L307-Y311 VanDerWaalsContact O-CB 3.3Å; L307-Y311 WeakPolarHBondContact O-CB 3.2Å; L307-Y311 PolarHBondContact O-N 2.86Å |
| 308 | S | 88.1 | Confident | 89.6 | Confident | 12 Ų | 12 | 67.7 Ų | 67.7 | 8% | 0.084 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.2 | -42 | 175.8 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | F267 W304 R305 F306 C310 Y311 Y312 | F267-S308 VanDerWaalsContact CE1-CB 3.48Å; W304-S308 WeakPolarHBondContact O-CB 3.33Å; W304-S308 PolarHBondContact O-N 3.07Å; W304-S308 PolarHBondContact O-OG 2.81Å; R305-S308 WeakPolarHBondContact O-CB 3.3Å; R305-S308 PolarHBondContact O-N 2.92Å; F306-S308 PolarHBondContact O-N 3.47Å; S308-C310 VanDerWaalsContact C-N 3.33Å; S308-Y311 PolarHBondContact O-N 2.86Å; S308-Y312 WeakPolarHBondContact O-CB 3.11Å; S308-Y312 WeakPolarHBondContact O-CD2 3.41Å; S308-Y312 PolarHBondContact O-N 2.85Å |
| 309 | L | 86.3 | Confident | 89.5 | Confident | 83 Ų | 83 | 62.8 Ų | 62.8 | 44% | 0.435 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -70.7 | -24.3 | 176.2 | -70.9 | 170.5 | 0 | 0 | 0 | 113.4 | R305 F306 F342 | R305-L309 HydrophobicContact CG-CD1 4.15Å; R305-L309 WeakPolarHBondContact O-CG 3.38Å; R305-L309 PolarHBondContact O-N 2.86Å; F306-L309 CarbonylContact O-C 3.56Å; F306-L309 PolarHBondContact O-N 3.37Å; F306-L309 VanDerWaalsContact O-N 3.07Å; L309-F342 WeakPolarHBondContact O-CE2 3.13Å |
| 310 | C | 88.4 | Confident | 89.4 | Confident | 69 Ų | 69 | 61 Ų | 61 | 47% | 0.466 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -81.5 | -29 | 171.9 | -66 | 0 | 0 | 0 | 0 | 112.3 | F306 L307 S308 F342 | F306-C310 VanDerWaalsContact CE1-SG 3.6Å; F306-C310 WeakPolarHBondContact CZ-SG 3.41Å; F306-C310 PolarHBondContact O-N 3.02Å; F306-C310 PolarHBondContact O-SG 3.28Å; F306-C310 VanDerWaalsContact O-SG 3.35Å; L307-C310 PolarHBondContact O-N 2.78Å; S308-C310 VanDerWaalsContact C-N 3.33Å; C310-F342 WeakPolarHBondContact O-CD2 3.3Å |
| 311 | Y | 88.4 | Confident | 89.4 | Confident | 92 Ų | 92 | 66.1 Ų | 66.1 | 36% | 0.361 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -88.5 | -37.9 | -177.9 | -174.1 | -95.1 | 0 | 0 | 0 | 112.8 | L307 S308 P341 F342 | L307-Y311 VanDerWaalsContact O-CB 3.3Å; L307-Y311 WeakPolarHBondContact O-CB 3.2Å; L307-Y311 PolarHBondContact O-N 2.86Å; S308-Y311 PolarHBondContact O-N 2.86Å; Y311-P341 HydrophobicContact CE1-CB 3.98Å; Y311-P341 HydrophobicContact CE1-CG 4.03Å; Y311-P341 CarbonylContact O-C 3.52Å; Y311-P341 VanDerWaalsContact O-CA 3.25Å; Y311-P341 WeakPolarHBondContact O-CA 3.24Å; Y311-F342 PolarHBondContact O-N 3.37Å |
| 312 | Y | 87.7 | Confident | 89.5 | Confident | 18 Ų | 18 | 66.6 Ų | 66.6 | 7% | 0.071 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 130.5 | -178.4 | -60.4 | -71.2 | 0 | 0 | 0 | 112.2 | S308 E314 A315 I337 L340 P341 F342 R359 Y361 | S308-Y312 WeakPolarHBondContact O-CB 3.11Å; S308-Y312 WeakPolarHBondContact O-CD2 3.41Å; S308-Y312 PolarHBondContact O-N 2.85Å; Y312-E314 VanDerWaalsContact C-N 3.26Å; Y312-E314 PolarHBondContact O-N 3.32Å; Y312-A315 HydrophobicContact CD2-CB 4.32Å; Y312-A315 HydrophobicContact CG-CB 4.49Å; Y312-I337 HydrophobicContact CE2-CG2 4.35Å; Y312-L340 CarbonylContact C-O 3.48Å; Y312-L340 VanDerWaalsContact CA-O 3.3Å; Y312-L340 WeakPolarHBondContact CA-O 3.33Å; Y312-P341 HydrophobicContact CD1-CG 4.32Å; Y312-P341 HydrophobicContact CE1-CG 4.18Å; Y312-F342 WeakPolarHBondContact O-CE2 3.4Å; Y312-R359 HydrophobicContact CE1-CB 4.4Å; Y312-Y361 WeakPolarHBondContact OH-CD2 3.4Å; Y312-Y361 WeakPolarHBondContact OH-CE2 3.34Å |
| 313 | A | 82.9 | Confident | 89.5 | Confident | 49 Ų | 49 | 65.9 Ų | 65.9 | 41% | 0.405 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | -27.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L340 F342 V345 | A313-L340 PolarHBondContact N-O 2.72Å; A313-F342 VanDerWaalsContact CA-CZ 3.47Å; A313-F342 HydrophobicContact CB-CD1 3.97Å; A313-F342 HydrophobicContact CB-CD2 4.47Å; A313-F342 HydrophobicContact CB-CE1 3.78Å; A313-F342 HydrophobicContact CB-CE2 4.29Å; A313-F342 HydrophobicContact CB-CG 4.33Å; A313-F342 HydrophobicContact CB-CZ 3.97Å; A313-V345 HydrophobicContact CB-CG2 3.69Å |
| 314 | E | 82.4 | Confident | 89.6 | Confident | 73 Ų | 73 | 65.6 Ų | 65.6 | 34% | 0.341 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 103.7 | 173.3 | -173 | 179.7 | -177.6 | 0 | 0 | 107.3 | Y312 R316 G339 L340 | Y312-E314 VanDerWaalsContact C-N 3.26Å; Y312-E314 PolarHBondContact O-N 3.32Å; E314-R316 IonicContact OE1-CZ 3.51Å; E314-R316 IonicContact OE1-NE 3.49Å; E314-R316 PolarHBondContact OE1-NE 2.86Å; E314-R316 IonicContact OE1-NH2 3.97Å; E314-R316 PolarHBondContact OE1-NH2 3.29Å; E314-G339 WeakPolarHBondContact O-CA 3.22Å; E314-L340 PolarHBondContact O-N 3.48Å |
| 315 | A | 87.3 | Confident | 89.7 | Confident | 5 Ų | 5 | 64.9 Ų | 64.9 | 4% | 0.041 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 129 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | F267 Y312 | F267-A315 HydrophobicContact CD1-CB 4.31Å; F267-A315 HydrophobicContact CD2-CB 4.15Å; F267-A315 HydrophobicContact CE1-CB 4.45Å; F267-A315 HydrophobicContact CE2-CB 4.25Å; F267-A315 HydrophobicContact CG-CB 4.18Å; F267-A315 HydrophobicContact CZ-CB 4.42Å; Y312-A315 HydrophobicContact CD2-CB 4.32Å; Y312-A315 HydrophobicContact CG-CB 4.49Å |
| 316 | R | 87.7 | Confident | 89.6 | Confident | 137 Ų | 137 | 65.4 Ų | 65.4 | 52% | 0.517 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 138.9 | 173.6 | -63.1 | -172.8 | -177.8 | -150.1 | -0.1 | 109.8 | E314 I337 K338 | E314-R316 IonicContact OE1-CZ 3.51Å; E314-R316 IonicContact OE1-NE 3.49Å; E314-R316 PolarHBondContact OE1-NE 2.86Å; E314-R316 IonicContact OE1-NH2 3.97Å; E314-R316 PolarHBondContact OE1-NH2 3.29Å; R316-I337 CarbonylContact O-C 3.51Å; R316-I337 WeakPolarHBondContact O-CA 3.21Å; R316-K338 PolarHBondContact N-O 2.91Å; R316-K338 PolarHBondContact O-N 3.29Å |
| 317 | L | 92.1 | Very high | 89.4 | Confident | 12 Ų | 12 | 68.4 Ų | 68.4 | 6% | 0.063 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 110.2 | 174.7 | -164.4 | 152.5 | 0 | 0 | 0 | 108.5 | L263 P264 F266 F267 V319 W335 I337 | L263-L317 HydrophobicContact CB-CD2 4.37Å; L263-L317 WeakPolarHBondContact O-CD2 3.19Å; P264-L317 WeakPolarHBondContact CA-O 3.44Å; F266-L317 HydrophobicContact CB-CD1 4.19Å; F266-L317 HydrophobicContact CD1-CD1 4.27Å; F266-L317 HydrophobicContact CG-CD1 4.41Å; F267-L317 HydrophobicContact CD2-CB 3.97Å; F267-L317 HydrophobicContact CE2-CB 3.81Å; F267-L317 HydrophobicContact CE2-CD1 4.32Å; L317-V319 HydrophobicContact CD2-CG2 3.97Å; L317-W335 HydrophobicContact CD1-CE3 4.47Å; L317-W335 HydrophobicContact CD2-CB 3.64Å; L317-W335 HydrophobicContact CD2-CG 4.23Å; L317-W335 HydrophobicContact CG-CB 4.35Å; L317-I337 HydrophobicContact CD1-CG1 4.29Å; L317-I337 HydrophobicContact CG-CG1 4.26Å |
| 318 | D | 91.6 | Very high | 89.2 | Confident | 55 Ų | 55 | 68.9 Ų | 68.9 | 29% | 0.294 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 119.7 | 176.4 | -67 | -21.1 | 0 | 0 | 0 | 109.2 | L320 W335 R336 K338 | D318-L320 PolarHBondContact O-N 3.41Å; D318-W335 CarbonylContact O-C 3.57Å; D318-W335 VanDerWaalsContact O-CA 3.28Å; D318-W335 WeakPolarHBondContact O-CA 3.38Å; D318-R336 PolarHBondContact N-O 2.99Å; D318-R336 PolarHBondContact O-N 2.72Å; D318-K338 VanDerWaalsContact OD2-CD 3.3Å; D318-K338 WeakPolarHBondContact OD2-CD 3.47Å; D318-K338 WeakPolarHBondContact OD2-CE 3.19Å; D318-K338 IonicContact OD2-NZ 2.9Å; D318-K338 PolarHBondContact OD2-NZ 3.36Å |
| 319 | V | 92.4 | Very high | 89.3 | Confident | 47 Ų | 47 | 71.6 Ų | 71.6 | 29% | 0.285 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 113.6 | 171.4 | -178.1 | 0 | 0 | 0 | 0 | 108.4 | L263 P264 L317 L322 | L263-V319 HydrophobicContact CB-CG2 3.58Å; L263-V319 HydrophobicContact CD1-CG2 4.29Å; P264-V319 HydrophobicContact CG-CG2 3.88Å; L317-V319 HydrophobicContact CD2-CG2 3.97Å; V319-L322 HydrophobicContact CG1-CB 4.36Å |
| 320 | L | 90.8 | Very high | 89.7 | Confident | 79 Ų | 79 | 67.7 Ų | 67.7 | 41% | 0.414 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | -41.6 | -179 | -64.5 | 175.4 | 0 | 0 | 0 | 111.7 | D318 R334 R336 | D318-L320 PolarHBondContact O-N 3.41Å; L320-R334 HydrophobicContact CB-CB 4.41Å; L320-R334 HydrophobicContact CB-CG 4.22Å; L320-R334 HydrophobicContact CD1-CG 4.15Å; L320-R334 PolarHBondContact N-O 3.28Å; L320-R336 HydrophobicContact CD1-CB 3.91Å; L320-R336 HydrophobicContact CD2-CB 4.39Å; L320-R336 HydrophobicContact CG-CB 4.08Å |
| 321 | K | 92.5 | Very high | 90 | Very high | 136 Ų | 136 | 64.4 Ų | 64.4 | 59% | 0.591 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 131 | -178.7 | -169.1 | 177.1 | -177 | -179 | 0 | 109.4 | T323 A333 R334 | K321-T323 HydrophobicContact CD-CG2 4.11Å; K321-T323 VanDerWaalsContact CE-CG2 3.45Å; K321-T323 HydrophobicContact CG-CG2 4.04Å; K321-A333 CarbonylContact O-C 3.53Å; K321-R334 HydrophobicContact CB-CB 4.09Å; K321-R334 PolarHBondContact N-O 2.94Å; K321-R334 VanDerWaalsContact N-O 3.15Å; K321-R334 PolarHBondContact O-N 3.44Å |
| 322 | L | 93.8 | Very high | 90.4 | Very high | 23 Ų | 23 | 63.5 Ų | 63.5 | 12% | 0.12 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 127.4 | 170.8 | -167 | 64.9 | 0 | 0 | 0 | 107.4 | Y256 R260 L263 V319 I331 K332 A333 | Y256-L322 HydrophobicContact CD2-CD2 3.69Å; Y256-L322 HydrophobicContact CD2-CG 3.79Å; Y256-L322 HydrophobicContact CE1-CD2 4.34Å; Y256-L322 HydrophobicContact CE2-CB 3.88Å; Y256-L322 HydrophobicContact CE2-CD2 3.46Å; Y256-L322 VanDerWaalsContact CE2-CD2 3.46Å; Y256-L322 HydrophobicContact CE2-CG 3.38Å; Y256-L322 HydrophobicContact CG-CD2 4.24Å; R260-L322 HydrophobicContact CB-CD2 3.87Å; L263-L322 HydrophobicContact CD1-CD1 4.37Å; V319-L322 HydrophobicContact CG1-CB 4.36Å; L322-I331 HydrophobicContact CD1-CG2 3.67Å; L322-I331 HydrophobicContact CG-CG2 4.19Å; L322-K332 WeakPolarHBondContact CA-O 3.31Å; L322-A333 HydrophobicContact CD1-CB 3.45Å; L322-A333 VanDerWaalsContact CD1-CB 3.45Å |
| 323 | T | 93.5 | Very high | 90.7 | Very high | 39 Ų | 39 | 62.6 Ų | 62.6 | 24% | 0.239 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 133.7 | 178 | 53.5 | 0 | 0 | 0 | 0 | 110.2 | K321 H325 I331 K332 | K321-T323 HydrophobicContact CD-CG2 4.11Å; K321-T323 VanDerWaalsContact CE-CG2 3.45Å; K321-T323 HydrophobicContact CG-CG2 4.04Å; T323-H325 PolarHBondContact OG1-NE2 2.72Å; T323-I331 WeakPolarHBondContact O-CA 3.27Å; T323-K332 PolarHBondContact N-O 3.12Å; T323-K332 PolarHBondContact O-N 3.16Å; T323-K332 PolarHBondContact OG1-O 2.86Å |
| 324 | K | 93.2 | Very high | 91.2 | Very high | 92 Ų | 92 | 64.3 Ų | 64.3 | 40% | 0.4 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 136.3 | 168.9 | 63.8 | 172.9 | -171.3 | 159.9 | 0 | 109.7 | E249 Y256 M326 | E249-K324 IonicContact OE1-NZ 3Å; Y256-K324 HydrophobicContact CD2-CB 4.08Å; K324-M326 HydrophobicContact CD-SD 4Å; K324-M326 HydrophobicContact CG-SD 4.43Å |
| 325 | H | 92.3 | Very high | 91.8 | Very high | 67 Ų | 67 | 62 Ų | 62 | 31% | 0.31 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 108 | 173.7 | -65 | -80.9 | 0 | 0 | 0 | 108 | T323 D328 R329 T330 | T323-H325 PolarHBondContact OG1-NE2 2.72Å; H325-D328 HydrophobicContact CB-CB 4.47Å; H325-R329 PolarHBondContact O-N 2.84Å; H325-T330 PolarHBondContact N-O 3Å; H325-T330 PolarHBondContact O-N 3.46Å; H325-T330 VanDerWaalsContact O-N 3.12Å |
| 326 | M | 87.8 | Confident | 92 | Very high | 68 Ų | 68 | 65.3 Ų | 65.3 | 34% | 0.335 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -43.2 | -177.5 | -51.5 | -53.2 | -64 | 0 | 0 | 111.1 | E249 L252 K324 D328 R329 | E249-M326 HydrophobicContact CB-CE 3.4Å; E249-M326 HydrophobicContact CG-CE 3.34Å; L252-M326 HydrophobicContact CB-CE 4.49Å; L252-M326 HydrophobicContact CD2-CE 3.73Å; L252-M326 HydrophobicContact CD2-SD 3.45Å; L252-M326 WeakPolarHBondContact CD2-SD 3.36Å; L252-M326 HydrophobicContact CG-SD 4.35Å; K324-M326 HydrophobicContact CD-SD 4Å; K324-M326 HydrophobicContact CG-SD 4.43Å; M326-D328 PolarHBondContact O-N 2.93Å; M326-R329 PolarHBondContact O-N 2.92Å |
| 327 | E | 87.3 | Confident | 92.1 | Very high | 190 Ų | 190 | 59.9 Ų | 59.9 | 89% | 0.888 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -47.1 | -177.5 | -61.8 | 175 | -175.8 | 0 | 0 | 112.5 | ||
| 328 | D | 86.7 | Confident | 92 | Very high | 100 Ų | 100 | 63.4 Ų | 63.4 | 54% | 0.535 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -6.6 | -177.9 | -64.8 | -31.2 | 0 | 0 | 0 | 113.1 | H325 M326 T330 | H325-D328 HydrophobicContact CB-CB 4.47Å; M326-D328 PolarHBondContact O-N 2.93Å; D328-T330 HydrophobicContact CB-CG2 3.92Å; D328-T330 WeakPolarHBondContact O-CG2 3.3Å; D328-T330 PolarHBondContact O-N 2.95Å |
| 329 | R | 89.9 | Confident | 91.8 | Very high | 69 Ų | 69 | 60.8 Ų | 60.8 | 26% | 0.26 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 42.2 | -166.8 | -55.3 | 174.9 | -169.7 | -123.7 | -5.1 | 112.3 | E248 H325 M326 I369 H371 | E248-R329 IonicContact OE1-CZ 2.76Å; E248-R329 IonicContact OE1-NH2 3.1Å; E248-R329 PolarHBondContact OE1-NH2 3.18Å; E248-R329 VanDerWaalsContact OE1-NH2 3.1Å; E248-R329 IonicContact OE2-CZ 3.58Å; E248-R329 IonicContact OE2-NH1 3.55Å; E248-R329 PolarHBondContact OE2-NH1 2.9Å; E248-R329 IonicContact OE2-NH2 2.66Å; E248-R329 PolarHBondContact OE2-NH2 2.65Å; H325-R329 PolarHBondContact O-N 2.84Å; M326-R329 PolarHBondContact O-N 2.92Å; R329-I369 PolarHBondContact O-N 2.87Å; R329-H371 PolarHBondContact NH1-CE1 3.27Å; R329-H371 VanDerWaalsContact NH1-CE1 3.3Å; R329-H371 PolarHBondContact NH1-ND1 2.98Å |
| 330 | T | 94.5 | Very high | 91.5 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 144.4 | -179 | 61.7 | 0 | 0 | 0 | 0 | 113.2 | H325 D328 T366 F367 Y368 | H325-T330 PolarHBondContact N-O 3Å; H325-T330 PolarHBondContact O-N 3.46Å; H325-T330 VanDerWaalsContact O-N 3.12Å; D328-T330 HydrophobicContact CB-CG2 3.92Å; D328-T330 WeakPolarHBondContact O-CG2 3.3Å; D328-T330 PolarHBondContact O-N 2.95Å; T330-T366 HydrophobicContact CG2-CG2 4.23Å; T330-F367 CarbonylContact C-O 3.53Å; T330-F367 VanDerWaalsContact CA-O 3.23Å; T330-F367 WeakPolarHBondContact CA-O 3.23Å; T330-Y368 HydrophobicContact CG2-CD1 3.26Å; T330-Y368 HydrophobicContact CG2-CE1 3.45Å; T330-Y368 VanDerWaalsContact CG2-CE1 3.45Å; T330-Y368 HydrophobicContact CG2-CG 3.98Å |
| 331 | I | 96.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 123 | 167.7 | -58.7 | 177.8 | 0 | 0 | 0 | 107.7 | L252 M255 Y256 L259 L322 T323 T366 F367 I369 | L252-I331 HydrophobicContact CD1-CD1 3.85Å; L252-I331 HydrophobicContact CD1-CG1 3.64Å; M255-I331 HydrophobicContact CB-CD1 4.09Å; M255-I331 HydrophobicContact CG-CD1 4.14Å; Y256-I331 HydrophobicContact CD2-CG2 4.34Å; L259-I331 HydrophobicContact CD1-CB 4.22Å; L259-I331 HydrophobicContact CD1-CD1 3.87Å; L259-I331 HydrophobicContact CD1-CG2 4Å; L322-I331 HydrophobicContact CD1-CG2 3.67Å; L322-I331 HydrophobicContact CG-CG2 4.19Å; T323-I331 WeakPolarHBondContact O-CA 3.27Å; I331-T366 WeakPolarHBondContact O-CA 3.35Å; I331-F367 HydrophobicContact CB-CB 4.41Å; I331-F367 HydrophobicContact CB-CD2 4.49Å; I331-F367 PolarHBondContact N-O 2.87Å; I331-F367 WeakPolarHBondContact O-CD2 3.47Å; I331-F367 PolarHBondContact O-N 3.32Å; I331-I369 HydrophobicContact CD1-CD1 3.47Å; I331-I369 VanDerWaalsContact CD1-CD1 3.47Å; I331-I369 HydrophobicContact CG1-CD1 3.77Å |
| 332 | K | 95.1 | Very high | 90.7 | Very high | 72 Ų | 72 | 53.6 Ų | 53.6 | 31% | 0.313 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 121.3 | 176.7 | -66.5 | 177 | -171.9 | 159.4 | 0 | 109.1 | L322 T323 S365 T366 | L322-K332 WeakPolarHBondContact CA-O 3.31Å; T323-K332 PolarHBondContact N-O 3.12Å; T323-K332 PolarHBondContact O-N 3.16Å; T323-K332 PolarHBondContact OG1-O 2.86Å; K332-S365 CarbonylContact C-O 3.58Å; K332-S365 WeakPolarHBondContact CA-O 3.32Å; K332-T366 HydrophobicContact CG-CG2 3.94Å |
| 333 | A | 95 | Very high | 90 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 116 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | L263 K321 L322 F364 S365 F367 | L263-A333 HydrophobicContact CD1-CB 3.63Å; K321-A333 CarbonylContact O-C 3.53Å; L322-A333 HydrophobicContact CD1-CB 3.45Å; L322-A333 VanDerWaalsContact CD1-CB 3.45Å; A333-F364 CarbonylContact O-C 3.57Å; A333-F364 WeakPolarHBondContact O-CA 3.32Å; A333-S365 PolarHBondContact N-O 3.19Å; A333-S365 PolarHBondContact O-N 3.45Å; A333-F367 HydrophobicContact CB-CE2 3.99Å |
| 334 | R | 94.3 | Very high | 89.2 | Confident | 85 Ų | 85 | 56.9 Ų | 56.9 | 32% | 0.321 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 120.4 | 163.7 | -168.9 | -178.5 | 174.2 | 169.8 | -1.9 | 108.5 | L320 K321 D362 F364 | L320-R334 HydrophobicContact CB-CB 4.41Å; L320-R334 HydrophobicContact CB-CG 4.22Å; L320-R334 HydrophobicContact CD1-CG 4.15Å; L320-R334 PolarHBondContact N-O 3.28Å; K321-R334 HydrophobicContact CB-CB 4.09Å; K321-R334 PolarHBondContact N-O 2.94Å; K321-R334 VanDerWaalsContact N-O 3.15Å; K321-R334 PolarHBondContact O-N 3.44Å; R334-D362 IonicContact NH2-OD2 3.69Å; R334-F364 HydrophobicContact CB-CD1 3.69Å; R334-F364 HydrophobicContact CB-CE1 3.48Å; R334-F364 VanDerWaalsContact CB-CE1 3.48Å; R334-F364 HydrophobicContact CB-CZ 4.39Å; R334-F364 HydrophobicContact CG-CD1 3.89Å; R334-F364 HydrophobicContact CG-CE1 3.51Å; R334-F364 HydrophobicContact CG-CZ 3.94Å |
| 335 | W | 93.6 | Very high | 88.2 | Confident | 25 Ų | 25 | 54.5 Ų | 54.5 | 10% | 0.095 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 158.8 | 179.1 | 50.8 | -97.4 | 0 | 0 | 0 | 111.4 | L317 D318 I337 A363 S365 V380 | L317-W335 HydrophobicContact CD1-CE3 4.47Å; L317-W335 HydrophobicContact CD2-CB 3.64Å; L317-W335 HydrophobicContact CD2-CG 4.23Å; L317-W335 HydrophobicContact CG-CB 4.35Å; D318-W335 CarbonylContact O-C 3.57Å; D318-W335 VanDerWaalsContact O-CA 3.28Å; D318-W335 WeakPolarHBondContact O-CA 3.38Å; W335-I337 HydrophobicContact CE3-CD1 4.13Å; W335-I337 HydrophobicContact CE3-CG1 3.8Å; W335-I337 HydrophobicContact CH2-CD1 4.01Å; W335-I337 HydrophobicContact CZ3-CD1 3.38Å; W335-I337 HydrophobicContact CZ3-CG1 3.53Å; W335-A363 HydrophobicContact CD2-CB 4.11Å; W335-A363 HydrophobicContact CE3-CB 4.04Å; W335-A363 HydrophobicContact CH2-CB 3.43Å; W335-A363 VanDerWaalsContact CH2-CB 3.43Å; W335-A363 HydrophobicContact CZ2-CB 3.48Å; W335-A363 VanDerWaalsContact CZ2-CB 3.48Å; W335-A363 HydrophobicContact CZ3-CB 3.68Å; W335-A363 PolarHBondContact N-O 3.03Å; W335-A363 PolarHBondContact O-N 3.32Å; W335-S365 PolarHBondContact NE1-OG 3.33Å; W335-V380 HydrophobicContact CH2-CG1 4.47Å; W335-V380 HydrophobicContact CZ2-CG1 3.82Å |
| 336 | R | 92.2 | Very high | 87.2 | Confident | 73 Ų | 73 | 58.2 Ų | 58.2 | 28% | 0.275 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 117.8 | 178.5 | 173.4 | 178.1 | -68.5 | -179.8 | -1.2 | 108.6 | D318 L320 K338 Y361 D362 | D318-R336 PolarHBondContact N-O 2.99Å; D318-R336 PolarHBondContact O-N 2.72Å; L320-R336 HydrophobicContact CD1-CB 3.91Å; L320-R336 HydrophobicContact CD2-CB 4.39Å; L320-R336 HydrophobicContact CG-CB 4.08Å; R336-K338 HydrophobicContact CG-CG 4.04Å; R336-Y361 CarbonylContact C-O 3.59Å; R336-Y361 VanDerWaalsContact CA-O 3.3Å; R336-Y361 WeakPolarHBondContact CA-O 3.45Å; R336-D362 WeakPolarHBondContact CB-OD1 3.32Å; R336-D362 WeakPolarHBondContact CD-OD1 3.48Å; R336-D362 WeakPolarHBondContact CG-OD1 3.01Å; R336-D362 IonicContact CZ-OD1 3.22Å; R336-D362 IonicContact CZ-OD2 2.64Å; R336-D362 IonicContact NE-OD1 2.72Å; R336-D362 PolarHBondContact NE-OD1 2.91Å; R336-D362 IonicContact NE-OD2 3.35Å; R336-D362 IonicContact NH2-OD1 2.93Å; R336-D362 PolarHBondContact NH2-OD1 3.45Å; R336-D362 IonicContact NH2-OD2 2.68Å; R336-D362 PolarHBondContact NH2-OD2 3.48Å |
| 337 | I | 90.4 | Very high | 86.2 | Confident | 24 Ų | 24 | 59.5 Ų | 59.5 | 12% | 0.123 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 124.8 | 168.2 | -65.2 | 169.8 | 0 | 0 | 0 | 107.5 | F267 Y312 R316 L317 W335 S360 Y361 | F267-I337 HydrophobicContact CE2-CD1 4.4Å; F267-I337 HydrophobicContact CE2-CG1 4.19Å; F267-I337 HydrophobicContact CE2-CG2 4.3Å; F267-I337 HydrophobicContact CZ-CD1 4.07Å; F267-I337 HydrophobicContact CZ-CG1 4.36Å; F267-I337 HydrophobicContact CZ-CG2 4.45Å; Y312-I337 HydrophobicContact CE2-CG2 4.35Å; R316-I337 CarbonylContact O-C 3.51Å; R316-I337 WeakPolarHBondContact O-CA 3.21Å; L317-I337 HydrophobicContact CD1-CG1 4.29Å; L317-I337 HydrophobicContact CG-CG1 4.26Å; W335-I337 HydrophobicContact CE3-CD1 4.13Å; W335-I337 HydrophobicContact CE3-CG1 3.8Å; W335-I337 HydrophobicContact CH2-CD1 4.01Å; W335-I337 HydrophobicContact CZ3-CD1 3.38Å; W335-I337 HydrophobicContact CZ3-CG1 3.53Å; I337-S360 CarbonylContact O-C 3.56Å; I337-S360 VanDerWaalsContact O-CA 3.24Å; I337-S360 WeakPolarHBondContact O-CA 3.26Å; I337-Y361 PolarHBondContact N-O 2.75Å; I337-Y361 PolarHBondContact O-N 2.98Å |
| 338 | K | 88.8 | Confident | 85.1 | Confident | 85 Ų | 85 | 56 Ų | 56 | 37% | 0.37 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 135.5 | 169 | -65.4 | -179.4 | -173.8 | 151.6 | 0 | 108.5 | R316 D318 R336 R359 | R316-K338 PolarHBondContact N-O 2.91Å; R316-K338 PolarHBondContact O-N 3.29Å; D318-K338 VanDerWaalsContact OD2-CD 3.3Å; D318-K338 WeakPolarHBondContact OD2-CD 3.47Å; D318-K338 WeakPolarHBondContact OD2-CE 3.19Å; D318-K338 IonicContact OD2-NZ 2.9Å; D318-K338 PolarHBondContact OD2-NZ 3.36Å; R336-K338 HydrophobicContact CG-CG 4.04Å; K338-R359 WeakPolarHBondContact CA-O 3.43Å |
| 339 | G | 87.3 | Confident | 84.1 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 160.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114 | E314 P341 R359 | E314-G339 WeakPolarHBondContact O-CA 3.22Å; G339-P341 WeakPolarHBondContact O-CD 3.48Å; G339-R359 PolarHBondContact N-O 3.16Å; G339-R359 PolarHBondContact O-N 2.69Å |
| 340 | L | 86.3 | Confident | 82.9 | Confident | 5 Ų | 5 | 66.7 Ų | 66.7 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 113 | 174.1 | -178.9 | 65.1 | 0 | 0 | 0 | 108.8 | Y312 A313 E314 V345 L357 Y358 | Y312-L340 CarbonylContact C-O 3.48Å; Y312-L340 VanDerWaalsContact CA-O 3.3Å; Y312-L340 WeakPolarHBondContact CA-O 3.33Å; A313-L340 PolarHBondContact N-O 2.72Å; E314-L340 PolarHBondContact O-N 3.48Å; L340-V345 HydrophobicContact CD2-CG2 3.86Å; L340-V345 HydrophobicContact CG-CG2 4.16Å; L340-L357 HydrophobicContact CD1-CB 3.52Å; L340-L357 WeakPolarHBondContact CD1-O 3.43Å; L340-Y358 HydrophobicContact CB-CD1 4.43Å; L340-Y358 HydrophobicContact CB-CE1 4.18Å |
| 341 | P | 85.8 | Confident | 81.4 | Confident | 3 Ų | 3 | 73.8 Ų | 73.8 | 2% | 0.019 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 140 | 179.1 | -22 | 33.6 | 0 | 0 | 0 | 111.7 | Y311 Y312 G339 H343 S344 V345 L357 R359 | Y311-P341 HydrophobicContact CE1-CB 3.98Å; Y311-P341 HydrophobicContact CE1-CG 4.03Å; Y311-P341 CarbonylContact O-C 3.52Å; Y311-P341 VanDerWaalsContact O-CA 3.25Å; Y311-P341 WeakPolarHBondContact O-CA 3.24Å; Y312-P341 HydrophobicContact CD1-CG 4.32Å; Y312-P341 HydrophobicContact CE1-CG 4.18Å; G339-P341 WeakPolarHBondContact O-CD 3.48Å; P341-H343 VanDerWaalsContact C-N 3.29Å; P341-H343 WeakPolarHBondContact CB-CE1 3.5Å; P341-H343 WeakPolarHBondContact CB-ND1 3.37Å; P341-H343 PolarHBondContact O-N 2.97Å; P341-S344 WeakPolarHBondContact O-CA 3.4Å; P341-S344 VanDerWaalsContact O-CB 3.32Å; P341-S344 WeakPolarHBondContact O-CB 3.39Å; P341-S344 PolarHBondContact O-N 3.46Å; P341-V345 PolarHBondContact O-N 2.87Å; P341-L357 VanDerWaalsContact CD-O 3.26Å; P341-L357 WeakPolarHBondContact CD-O 2.98Å; P341-R359 HydrophobicContact CG-CB 4.29Å |
| 342 | F | 81 | Confident | 79.8 | Confident | 103 Ų | 103 | 83.4 Ų | 83.4 | 45% | 0.452 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -56 | -41.3 | -178.1 | -89 | -78.9 | 0 | 0 | 0 | 113.3 | L309 C310 Y311 Y312 A313 S344 V345 | L309-F342 WeakPolarHBondContact O-CE2 3.13Å; C310-F342 WeakPolarHBondContact O-CD2 3.3Å; Y311-F342 PolarHBondContact O-N 3.37Å; Y312-F342 WeakPolarHBondContact O-CE2 3.4Å; A313-F342 VanDerWaalsContact CA-CZ 3.47Å; A313-F342 HydrophobicContact CB-CD1 3.97Å; A313-F342 HydrophobicContact CB-CD2 4.47Å; A313-F342 HydrophobicContact CB-CE1 3.78Å; A313-F342 HydrophobicContact CB-CE2 4.29Å; A313-F342 HydrophobicContact CB-CG 4.33Å; A313-F342 HydrophobicContact CB-CZ 3.97Å; F342-S344 PolarHBondContact O-N 3.38Å; F342-S344 VanDerWaalsContact O-N 3.12Å; F342-V345 VanDerWaalsContact O-CB 3.29Å; F342-V345 WeakPolarHBondContact O-CB 3.47Å; F342-V345 PolarHBondContact O-N 3.48Å |
| 343 | H | 78.6 | Confident | 78.4 | Confident | 117 Ų | 117 | 85.2 Ų | 85.2 | 54% | 0.542 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.4 | -24.9 | 176.9 | 66.4 | -92.7 | 0 | 0 | 0 | 112.8 | P341 | P341-H343 VanDerWaalsContact C-N 3.29Å; P341-H343 WeakPolarHBondContact CB-CE1 3.5Å; P341-H343 WeakPolarHBondContact CB-ND1 3.37Å; P341-H343 PolarHBondContact O-N 2.97Å |
| 344 | S | 77.4 | Confident | 77 | Confident | 13 Ų | 13 | 91.1 Ų | 91.1 | 9% | 0.091 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -85 | -13.7 | 176.9 | -64.9 | 0 | 0 | 0 | 0 | 113.1 | P341 F342 L346 L347 R348 | P341-S344 WeakPolarHBondContact O-CA 3.4Å; P341-S344 VanDerWaalsContact O-CB 3.32Å; P341-S344 WeakPolarHBondContact O-CB 3.39Å; P341-S344 PolarHBondContact O-N 3.46Å; F342-S344 PolarHBondContact O-N 3.38Å; F342-S344 VanDerWaalsContact O-N 3.12Å; S344-L346 VanDerWaalsContact C-N 3.33Å; S344-L346 PolarHBondContact O-N 2.91Å; S344-L347 WeakPolarHBondContact O-CB 3.49Å; S344-L347 PolarHBondContact O-N 3.46Å; S344-R348 PolarHBondContact O-N 2.88Å; S344-R348 VanDerWaalsContact O-N 3.11Å |
| 345 | V | 72.9 | Confident | 75.7 | Confident | 43 Ų | 43 | 91.3 Ų | 91.3 | 26% | 0.261 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.4 | -37.9 | 176.8 | 179 | 0 | 0 | 0 | 0 | 110.9 | A313 L340 P341 F342 L347 R348 | A313-V345 HydrophobicContact CB-CG2 3.69Å; L340-V345 HydrophobicContact CD2-CG2 3.86Å; L340-V345 HydrophobicContact CG-CG2 4.16Å; P341-V345 PolarHBondContact O-N 2.87Å; F342-V345 VanDerWaalsContact O-CB 3.29Å; F342-V345 WeakPolarHBondContact O-CB 3.47Å; F342-V345 PolarHBondContact O-N 3.48Å; V345-L347 PolarHBondContact O-N 3.21Å; V345-R348 WeakPolarHBondContact O-CB 3.14Å; V345-R348 PolarHBondContact O-N 2.71Å |
| 346 | L | 70.1 | Confident | 74.6 | Confident | 144 Ų | 144 | 97.2 Ų | 97.2 | 75% | 0.754 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -62.5 | -34.2 | 174.6 | -171 | 66.2 | 0 | 0 | 0 | 111.8 | S344 R348 | S344-L346 VanDerWaalsContact C-N 3.33Å; S344-L346 PolarHBondContact O-N 2.91Å; L346-R348 VanDerWaalsContact C-N 3.3Å; L346-R348 PolarHBondContact O-N 3.46Å |
| 347 | L | 67.7 | Low | 73.6 | Confident | 95 Ų | 95 | 94.7 Ų | 94.7 | 50% | 0.497 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -77.5 | -13.9 | 176.5 | -67.8 | 163.3 | 0 | 0 | 0 | 113 | S344 V345 F349 Y350 R351 | S344-L347 WeakPolarHBondContact O-CB 3.49Å; S344-L347 PolarHBondContact O-N 3.46Å; V345-L347 PolarHBondContact O-N 3.21Å; L347-F349 PolarHBondContact O-N 2.86Å; L347-Y350 PolarHBondContact O-N 3.01Å; L347-R351 PolarHBondContact O-N 3.38Å |
| 348 | R | 64.4 | Low | 73 | Confident | 116 Ų | 116 | 98.3 Ų | 98.3 | 44% | 0.438 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -61.9 | -30 | 179.7 | -163.2 | -178.8 | -168.8 | -177.4 | 4 | 112.3 | S344 V345 L346 Y350 | S344-R348 PolarHBondContact O-N 2.88Å; S344-R348 VanDerWaalsContact O-N 3.11Å; V345-R348 WeakPolarHBondContact O-CB 3.14Å; V345-R348 PolarHBondContact O-N 2.71Å; L346-R348 VanDerWaalsContact C-N 3.3Å; L346-R348 PolarHBondContact O-N 3.46Å; R348-Y350 VanDerWaalsContact C-N 3.31Å |
| 349 | F | 63.9 | Low | 72.8 | Confident | 181 Ų | 181 | 100.6 Ų | 100.6 | 79% | 0.794 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -75.4 | -20.4 | 176.2 | -64.8 | -74.5 | 0 | 0 | 0 | 113.1 | L347 | L347-F349 PolarHBondContact O-N 2.86Š|
| 350 | Y | 64.8 | Low | 72.7 | Confident | 214 Ų | 214 | 103.7 Ų | 103.7 | 84% | 0.839 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -24.2 | -172.6 | -112.9 | -89.5 | 0 | 0 | 0 | 114.1 | L347 R348 | L347-Y350 PolarHBondContact O-N 3.01Å; R348-Y350 VanDerWaalsContact C-N 3.31Å |
| 351 | R | 64.3 | Low | 72.7 | Confident | 151 Ų | 151 | 107.6 Ų | 107.6 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | trans | -118.2 | 123.1 | -172 | -138.3 | 176 | -177 | 171 | -0.7 | 111.8 | L347 D353 | L347-R351 PolarHBondContact O-N 3.38Å; R351-D353 VanDerWaalsContact C-N 3.33Å | ||
| 352 | K | 61 | Low | 73 | Confident | 202 Ų | 202 | 109 Ų | 109 | 88% | 0.878 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -67.3 | -33.5 | 178 | -132.9 | 175.3 | -177.5 | -179.9 | 0 | 112 | K354 | K352-K354 PolarHBondContact O-N 3.46Š|
| 353 | D | 66.8 | Low | 73.5 | Confident | 109 Ų | 109 | 104.1 Ų | 104.1 | 58% | 0.583 | 48% | 0.48 | S | S | * | . | trans | -86.6 | 106 | 176.8 | -67.1 | -26.4 | 0 | 0 | 0 | 111.5 | R351 | R351-D353 VanDerWaalsContact C-N 3.33Š| ||
| 354 | K | 65.3 | Low | 74.2 | Confident | 124 Ų | 124 | 102.2 Ų | 102.2 | 54% | 0.539 | 47% | 0.47 | S | S | . | . | trans | -87 | -15.7 | -174.1 | -58.9 | 171.3 | -172.7 | 172.7 | 0 | 113.3 | K352 H356 L357 Y358 | K352-K354 PolarHBondContact O-N 3.46Å; K354-H356 PolarHBondContact O-N 3.45Å; K354-L357 PolarHBondContact O-N 2.91Å; K354-Y358 WeakPolarHBondContact O-CD2 3.31Å | ||
| 355 | S | 67.9 | Low | 75 | Confident | 89 Ų | 89 | 101.7 Ų | 101.7 | 62% | 0.622 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -64.5 | -37.9 | -173.2 | 54.1 | 0 | 0 | 0 | 0 | 113.4 | L357 | S355-L357 VanDerWaalsContact C-N 3.27Å; S355-L357 PolarHBondContact O-N 3.36Å |
| 356 | H | 69.1 | Low | 76.1 | Confident | 150 Ų | 150 | 100.3 Ų | 100.3 | 69% | 0.694 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -74 | -13.8 | 179.6 | -73.7 | -76.5 | 0 | 0 | 0 | 114.5 | K354 | K354-H356 PolarHBondContact O-N 3.45Š|
| 357 | L | 71.3 | Confident | 77.3 | Confident | 19 Ų | 19 | 93.4 Ų | 93.4 | 10% | 0.099 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -82.8 | -24.2 | -178.7 | -58.1 | 177.3 | 0 | 0 | 0 | 112 | L340 P341 K354 S355 | L340-L357 HydrophobicContact CD1-CB 3.52Å; L340-L357 WeakPolarHBondContact CD1-O 3.43Å; P341-L357 VanDerWaalsContact CD-O 3.26Å; P341-L357 WeakPolarHBondContact CD-O 2.98Å; K354-L357 PolarHBondContact O-N 2.91Å; S355-L357 VanDerWaalsContact C-N 3.27Å; S355-L357 PolarHBondContact O-N 3.36Å |
| 358 | Y | 78 | Confident | 78.7 | Confident | 101 Ų | 101 | 93.4 Ų | 93.4 | 40% | 0.396 | 42% | 0.416 | S | S | . | . | trans | -76.8 | 128 | 176.4 | -76.3 | -91.4 | 0 | 0 | 0 | 110.3 | L340 K354 | L340-Y358 HydrophobicContact CB-CD1 4.43Å; L340-Y358 HydrophobicContact CB-CE1 4.18Å; K354-Y358 WeakPolarHBondContact O-CD2 3.31Å | ||
| 359 | R | 84.3 | Confident | 80.1 | Confident | 133 Ų | 133 | 88.7 Ų | 88.7 | 50% | 0.502 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 138.2 | 172.4 | -155.9 | 154 | -177.7 | 140.8 | -3.6 | 109.5 | Y312 K338 G339 P341 Y361 | Y312-R359 HydrophobicContact CE1-CB 4.4Å; K338-R359 WeakPolarHBondContact CA-O 3.43Å; G339-R359 PolarHBondContact N-O 3.16Å; G339-R359 PolarHBondContact O-N 2.69Å; P341-R359 HydrophobicContact CG-CB 4.29Å; R359-Y361 HydrophobicContact CB-CE2 4.29Å; R359-Y361 WeakPolarHBondContact CD-OH 3.45Å; R359-Y361 HydrophobicContact CG-CD2 4.29Å; R359-Y361 HydrophobicContact CG-CE2 3.56Å; R359-Y361 PolarHBondContact NE-OH 3.03Å |
| 360 | S | 85.7 | Confident | 81.5 | Confident | 65 Ų | 65 | 81 Ų | 81 | 46% | 0.455 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 138.9 | 176.8 | 55.5 | 0 | 0 | 0 | 0 | 110.8 | I337 | I337-S360 CarbonylContact O-C 3.56Å; I337-S360 VanDerWaalsContact O-CA 3.24Å; I337-S360 WeakPolarHBondContact O-CA 3.26Å |
| 361 | Y | 87.3 | Confident | 82.7 | Confident | 87 Ų | 87 | 77.6 Ų | 77.6 | 34% | 0.341 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 121.9 | 177.8 | -70.8 | -84.1 | 0 | 0 | 0 | 109.5 | Y312 R336 I337 R359 | Y312-Y361 WeakPolarHBondContact OH-CD2 3.4Å; Y312-Y361 WeakPolarHBondContact OH-CE2 3.34Å; R336-Y361 CarbonylContact C-O 3.59Å; R336-Y361 VanDerWaalsContact CA-O 3.3Å; R336-Y361 WeakPolarHBondContact CA-O 3.45Å; I337-Y361 PolarHBondContact N-O 2.75Å; I337-Y361 PolarHBondContact O-N 2.98Å; R359-Y361 HydrophobicContact CB-CE2 4.29Å; R359-Y361 WeakPolarHBondContact CD-OH 3.45Å; R359-Y361 HydrophobicContact CG-CD2 4.29Å; R359-Y361 HydrophobicContact CG-CE2 3.56Å; R359-Y361 PolarHBondContact NE-OH 3.03Å |
| 362 | D | 91.1 | Very high | 83.9 | Confident | 32 Ų | 32 | 74.2 Ų | 74.2 | 17% | 0.171 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 135 | 179.1 | -71.6 | 14 | 0 | 0 | 0 | 110 | R334 R336 V383 | R334-D362 IonicContact NH2-OD2 3.69Å; R336-D362 WeakPolarHBondContact CB-OD1 3.32Å; R336-D362 WeakPolarHBondContact CD-OD1 3.48Å; R336-D362 WeakPolarHBondContact CG-OD1 3.01Å; R336-D362 IonicContact CZ-OD1 3.22Å; R336-D362 IonicContact CZ-OD2 2.64Å; R336-D362 IonicContact NE-OD1 2.72Å; R336-D362 PolarHBondContact NE-OD1 2.91Å; R336-D362 IonicContact NE-OD2 3.35Å; R336-D362 IonicContact NH2-OD1 2.93Å; R336-D362 PolarHBondContact NH2-OD1 3.45Å; R336-D362 IonicContact NH2-OD2 2.68Å; R336-D362 PolarHBondContact NH2-OD2 3.48Å; D362-V383 HydrophobicContact CB-CB 3.8Å; D362-V383 HydrophobicContact CB-CG1 4.28Å; D362-V383 HydrophobicContact CB-CG2 3.91Å; D362-V383 WeakPolarHBondContact O-CB 3.2Å; D362-V383 PolarHBondContact O-N 3.48Å |
| 363 | A | 92.6 | Very high | 85.3 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 2% | 0.017 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 163.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | W335 V380 E381 | W335-A363 HydrophobicContact CD2-CB 4.11Å; W335-A363 HydrophobicContact CE3-CB 4.04Å; W335-A363 HydrophobicContact CH2-CB 3.43Å; W335-A363 VanDerWaalsContact CH2-CB 3.43Å; W335-A363 HydrophobicContact CZ2-CB 3.48Å; W335-A363 VanDerWaalsContact CZ2-CB 3.48Å; W335-A363 HydrophobicContact CZ3-CB 3.68Å; W335-A363 PolarHBondContact N-O 3.03Å; W335-A363 PolarHBondContact O-N 3.32Å; A363-V380 HydrophobicContact CB-CG1 4.47Å; A363-E381 WeakPolarHBondContact CA-O 3.42Å; A363-E381 WeakPolarHBondContact CB-O 3.27Å |
| 364 | F | 92.9 | Very high | 86.6 | Confident | 76 Ų | 76 | 62.6 Ų | 62.6 | 33% | 0.333 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 130.7 | 169.7 | -73.1 | -76.4 | 0 | 0 | 0 | 109.3 | A333 R334 V380 E381 V383 | A333-F364 CarbonylContact O-C 3.57Å; A333-F364 WeakPolarHBondContact O-CA 3.32Å; R334-F364 HydrophobicContact CB-CD1 3.69Å; R334-F364 HydrophobicContact CB-CE1 3.48Å; R334-F364 VanDerWaalsContact CB-CE1 3.48Å; R334-F364 HydrophobicContact CB-CZ 4.39Å; R334-F364 HydrophobicContact CG-CD1 3.89Å; R334-F364 HydrophobicContact CG-CE1 3.51Å; R334-F364 HydrophobicContact CG-CZ 3.94Å; F364-V380 CarbonylContact O-C 3.53Å; F364-V380 WeakPolarHBondContact O-CA 3.05Å; F364-E381 PolarHBondContact N-O 2.98Å; F364-E381 PolarHBondContact O-N 3.38Å; F364-V383 HydrophobicContact CD2-CB 4.37Å; F364-V383 HydrophobicContact CD2-CG2 3.26Å; F364-V383 HydrophobicContact CE2-CB 4.28Å; F364-V383 HydrophobicContact CE2-CG1 4.22Å; F364-V383 HydrophobicContact CE2-CG2 3.35Å; F364-V383 HydrophobicContact CG-CG2 4.08Å; F364-V383 HydrophobicContact CZ-CG2 4.23Å |
| 365 | S | 94.4 | Very high | 88.1 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 129.9 | 164.2 | -77.2 | 0 | 0 | 0 | 0 | 109.1 | K332 A333 W335 H378 K379 | K332-S365 CarbonylContact C-O 3.58Å; K332-S365 WeakPolarHBondContact CA-O 3.32Å; A333-S365 PolarHBondContact N-O 3.19Å; A333-S365 PolarHBondContact O-N 3.45Å; W335-S365 PolarHBondContact NE1-OG 3.33Å; S365-H378 WeakPolarHBondContact CB-NE2 3.32Å; S365-H378 PolarHBondContact OG-NE2 3.17Å; S365-K379 CarbonylContact C-O 3.55Å; S365-K379 VanDerWaalsContact CA-O 3.3Å; S365-K379 WeakPolarHBondContact CA-O 3.25Å |
| 366 | T | 95.7 | Very high | 89.4 | Confident | 13 Ų | 13 | 55.7 Ų | 55.7 | 8% | 0.08 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 122.1 | 170.8 | -53.8 | 0 | 0 | 0 | 0 | 108.1 | T330 I331 K332 Y368 K379 | T330-T366 HydrophobicContact CG2-CG2 4.23Å; I331-T366 WeakPolarHBondContact O-CA 3.35Å; K332-T366 HydrophobicContact CG-CG2 3.94Å; T366-Y368 HydrophobicContact CG2-CD2 4.36Å; T366-Y368 HydrophobicContact CG2-CE1 4.44Å; T366-Y368 HydrophobicContact CG2-CE2 3.76Å; T366-K379 PolarHBondContact N-O 3.49Å; T366-K379 PolarHBondContact O-N 3.11Å |
| 367 | F | 95.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 122.9 | 177.2 | -55.3 | -84.1 | 0 | 0 | 0 | 108.5 | L259 L263 T330 I331 A333 I375 C377 H378 | L259-F367 HydrophobicContact CD1-CB 4.39Å; L259-F367 HydrophobicContact CD1-CD2 3.78Å; L259-F367 HydrophobicContact CD1-CE2 4.19Å; L259-F367 HydrophobicContact CD1-CG 4.01Å; L259-F367 HydrophobicContact CD2-CE1 4.27Å; L259-F367 HydrophobicContact CD2-CE2 4.31Å; L259-F367 HydrophobicContact CD2-CZ 4.16Å; L263-F367 HydrophobicContact CD1-CE2 4.44Å; L263-F367 HydrophobicContact CD2-CZ 4.24Å; T330-F367 CarbonylContact C-O 3.53Å; T330-F367 VanDerWaalsContact CA-O 3.23Å; T330-F367 WeakPolarHBondContact CA-O 3.23Å; I331-F367 HydrophobicContact CB-CB 4.41Å; I331-F367 HydrophobicContact CB-CD2 4.49Å; I331-F367 PolarHBondContact N-O 2.87Å; I331-F367 WeakPolarHBondContact O-CD2 3.47Å; I331-F367 PolarHBondContact O-N 3.32Å; A333-F367 HydrophobicContact CB-CE2 3.99Å; F367-I375 HydrophobicContact CB-CG2 4.29Å; F367-I375 HydrophobicContact CD1-CD1 4.06Å; F367-I375 HydrophobicContact CD1-CG2 4.18Å; F367-C377 CarbonylContact C-O 3.56Å; F367-C377 WeakPolarHBondContact CA-O 3.46Å; F367-H378 HydrophobicContact CD1-CB 4.04Å; F367-H378 AromaticContact CD1-CD2 3.62Å; F367-H378 AromaticContact CD1-CG 3.77Å; F367-H378 HydrophobicContact CE1-CB 4.24Å; F367-H378 AromaticContact CE1-CD2 3.27Å; F367-H378 WeakPolarHBondContact CE1-CD2 3.27Å; F367-H378 AromaticContact CE1-CE1 3.6Å; F367-H378 AromaticContact CE1-CG 3.5Å; F367-H378 AromaticContact CE1-ND1 3.68Å; F367-H378 AromaticContact CE1-NE2 3.38Å; F367-H378 WeakPolarHBondContact CE1-NE2 3.41Å; F367-H378 AromaticContact CZ-CD2 3.83Å; F367-H378 AromaticContact CZ-CE1 3.99Å; F367-H378 AromaticContact CZ-NE2 3.55Å |
| 368 | Y | 95.4 | Very high | 91.8 | Very high | 95 Ų | 95 | 49 Ų | 49 | 37% | 0.373 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 123.9 | 174.5 | -60.5 | -95.1 | 0 | 0 | 0 | 108.7 | T330 T366 H376 C377 K379 | T330-Y368 HydrophobicContact CG2-CD1 3.26Å; T330-Y368 HydrophobicContact CG2-CE1 3.45Å; T330-Y368 VanDerWaalsContact CG2-CE1 3.45Å; T330-Y368 HydrophobicContact CG2-CG 3.98Å; T366-Y368 HydrophobicContact CG2-CD2 4.36Å; T366-Y368 HydrophobicContact CG2-CE1 4.44Å; T366-Y368 HydrophobicContact CG2-CE2 3.76Å; Y368-H376 PolarHBondContact O-N 2.82Å; Y368-C377 HydrophobicContact CD2-CB 3.66Å; Y368-C377 HydrophobicContact CG-CB 4.14Å; Y368-C377 PolarHBondContact N-O 2.95Å; Y368-C377 PolarHBondContact O-N 3.26Å; Y368-K379 HydrophobicContact CE2-CB 4.26Å |
| 369 | I | 95.1 | Very high | 92.6 | Very high | 17 Ų | 17 | 47 Ų | 47 | 9% | 0.087 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 134.4 | -175.9 | -68.1 | 158.6 | 0 | 0 | 0 | 109.1 | L252 M255 R329 I331 L374 I375 | L252-I369 HydrophobicContact CD1-CD1 3.26Å; L252-I369 HydrophobicContact CD1-CG1 4.46Å; M255-I369 HydrophobicContact CB-CD1 3.88Å; M255-I369 HydrophobicContact CG-CD1 3.69Å; M255-I369 HydrophobicContact CG-CG1 4.27Å; R329-I369 PolarHBondContact O-N 2.87Å; I331-I369 HydrophobicContact CD1-CD1 3.47Å; I331-I369 VanDerWaalsContact CD1-CD1 3.47Å; I331-I369 HydrophobicContact CG1-CD1 3.77Å; I369-L374 WeakPolarHBondContact CA-O 3.46Å; I369-I375 HydrophobicContact CG1-CG1 4.26Å |
| 370 | G | 92.3 | Very high | 93 | Very high | 18 Ų | 18 | 41 Ų | 41 | 19% | 0.186 | 21% | 0.207 | C | C | . | . | trans | -83.2 | 174.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D372 G373 L374 H376 | G370-D372 VanDerWaalsContact C-OD1 3.3Å; G370-D372 WeakPolarHBondContact CA-OD1 3.1Å; G370-D372 PolarHBondContact O-N 2.83Å; G370-G373 PolarHBondContact O-N 3.32Å; G370-L374 PolarHBondContact N-O 3.24Å; G370-H376 VanDerWaalsContact CA-CD2 3.48Å; G370-H376 WeakPolarHBondContact CA-CD2 3.4Å; G370-H376 PolarHBondContact N-CD2 3.39Å | ||
| 371 | H | 89.9 | Confident | 93.3 | Very high | 143 Ų | 143 | 41.7 Ų | 41.7 | 66% | 0.662 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -21.1 | 175.2 | -60.9 | -78.2 | 0 | 0 | 0 | 113.2 | R329 G373 | R329-H371 PolarHBondContact NH1-CE1 3.27Å; R329-H371 VanDerWaalsContact NH1-CE1 3.3Å; R329-H371 PolarHBondContact NH1-ND1 2.98Å; H371-G373 PolarHBondContact O-N 3.4Å |
| 372 | D | 90.1 | Very high | 93.2 | Very high | 81 Ų | 81 | 44 Ų | 44 | 43% | 0.433 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -8.7 | 173.6 | 58 | -13.6 | 0 | 0 | 0 | 113.4 | G370 L374 H376 | G370-D372 VanDerWaalsContact C-OD1 3.3Å; G370-D372 WeakPolarHBondContact CA-OD1 3.1Å; G370-D372 PolarHBondContact O-N 2.83Å; D372-L374 VanDerWaalsContact C-N 3.28Å; D372-L374 PolarHBondContact OD1-N 3.28Å; D372-H376 IonicContact OD1-CD2 2.85Å; D372-H376 PolarHBondContact OD1-CD2 3.07Å; D372-H376 IonicContact OD1-NE2 3.71Å; D372-H376 PolarHBondContact OD1-NE2 3.35Å; D372-H376 IonicContact OD2-CD2 3.51Å; D372-H376 IonicContact OD2-CE1 2.61Å; D372-H376 IonicContact OD2-NE2 3.63Å; D372-H376 PolarHBondContact OD2-NE2 2.88Å |
| 373 | G | 90.2 | Very high | 92.5 | Very high | 12 Ų | 12 | 43.7 Ų | 43.7 | 12% | 0.124 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 76.6 | 13.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | M255 G370 H371 | M255-G373 WeakPolarHBondContact CE-O 3.48Å; G370-G373 PolarHBondContact O-N 3.32Å; H371-G373 PolarHBondContact O-N 3.4Å |
| 374 | L | 94.6 | Very high | 91 | Very high | 54 Ų | 54 | 51.4 Ų | 51.4 | 28% | 0.283 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -103.3 | 158.9 | 175.1 | -61.3 | 177.6 | 0 | 0 | 0 | 111.3 | I369 G370 D372 H376 | I369-L374 WeakPolarHBondContact CA-O 3.46Å; G370-L374 PolarHBondContact N-O 3.24Å; D372-L374 VanDerWaalsContact C-N 3.28Å; D372-L374 PolarHBondContact OD1-N 3.28Å; L374-H376 PolarHBondContact O-CD2 2.83Å; L374-H376 PolarHBondContact O-N 3.45Å |
| 375 | I | 95.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 115 | 176.6 | -58.8 | 168.3 | 0 | 0 | 0 | 109.2 | M255 L259 M275 Y276 S277 F367 I369 | M255-I375 HydrophobicContact CE-CG1 4.29Å; M255-I375 HydrophobicContact CG-CD1 4.35Å; M255-I375 HydrophobicContact CG-CG1 4.25Å; M255-I375 HydrophobicContact SD-CD1 3.97Å; M255-I375 HydrophobicContact SD-CG1 4.11Å; L259-I375 HydrophobicContact CD1-CD1 4.41Å; L259-I375 HydrophobicContact CD2-CD1 4.19Å; M275-I375 HydrophobicContact CG-CD1 4.28Å; M275-I375 PolarHBondContact O-N 3.26Å; M275-I375 HydrophobicContact SD-CD1 4.26Å; Y276-I375 HydrophobicContact CD1-CB 3.68Å; Y276-I375 HydrophobicContact CD1-CD1 4.12Å; Y276-I375 HydrophobicContact CD1-CG1 4.48Å; Y276-I375 HydrophobicContact CD1-CG2 3.75Å; Y276-I375 HydrophobicContact CE1-CB 4.03Å; Y276-I375 HydrophobicContact CE1-CD1 3.71Å; Y276-I375 HydrophobicContact CE1-CG1 4.49Å; Y276-I375 HydrophobicContact CE1-CG2 3.85Å; Y276-I375 HydrophobicContact CG-CB 4.42Å; S277-I375 PolarHBondContact N-O 3.44Å; F367-I375 HydrophobicContact CB-CG2 4.29Å; F367-I375 HydrophobicContact CD1-CD1 4.06Å; F367-I375 HydrophobicContact CD1-CG2 4.18Å; I369-I375 HydrophobicContact CG1-CG1 4.26Å |
| 376 | H | 95.1 | Very high | 87 | Confident | 69 Ų | 69 | 56.8 Ų | 56.8 | 32% | 0.319 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -29.1 | 176.7 | -76.8 | -92.9 | 0 | 0 | 0 | 112.8 | S277 V280 E281 Y368 G370 D372 L374 | S277-H376 PolarHBondContact OG-CE1 2.96Å; V280-H376 CarbonylContact C-O 3.55Å; V280-H376 VanDerWaalsContact CA-O 3.3Å; V280-H376 WeakPolarHBondContact CA-O 3.32Å; E281-H376 PolarHBondContact N-O 2.88Å; Y368-H376 PolarHBondContact O-N 2.82Å; G370-H376 VanDerWaalsContact CA-CD2 3.48Å; G370-H376 WeakPolarHBondContact CA-CD2 3.4Å; G370-H376 PolarHBondContact N-CD2 3.39Å; D372-H376 IonicContact OD1-CD2 2.85Å; D372-H376 PolarHBondContact OD1-CD2 3.07Å; D372-H376 IonicContact OD1-NE2 3.71Å; D372-H376 PolarHBondContact OD1-NE2 3.35Å; D372-H376 IonicContact OD2-CD2 3.51Å; D372-H376 IonicContact OD2-CE1 2.61Å; D372-H376 IonicContact OD2-NE2 3.63Å; D372-H376 PolarHBondContact OD2-NE2 2.88Å; L374-H376 PolarHBondContact O-CD2 2.83Å; L374-H376 PolarHBondContact O-N 3.45Å |
| 377 | C | 94.9 | Very high | 84.7 | Confident | 16 Ų | 16 | 63.1 Ų | 63.1 | 11% | 0.108 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 133.8 | 175.1 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | E281 F367 Y368 | E281-C377 HydrophobicContact CB-CB 4.31Å; E281-C377 CarbonylContact O-C 3.51Å; E281-C377 VanDerWaalsContact O-CA 3.24Å; E281-C377 WeakPolarHBondContact O-CA 3.42Å; E281-C377 PolarHBondContact O-SG 3.43Å; F367-C377 CarbonylContact C-O 3.56Å; F367-C377 WeakPolarHBondContact CA-O 3.46Å; Y368-C377 HydrophobicContact CD2-CB 3.66Å; Y368-C377 HydrophobicContact CG-CB 4.14Å; Y368-C377 PolarHBondContact N-O 2.95Å; Y368-C377 PolarHBondContact O-N 3.26Å |
| 378 | H | 95.9 | Very high | 82.1 | Confident | 11 Ų | 11 | 68 Ų | 68 | 5% | 0.051 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 113.8 | 170.2 | 176.1 | -162 | 0 | 0 | 0 | 109 | E281 F282 I283 Y297 S365 F367 V380 | E281-H378 PolarHBondContact O-N 3.46Å; F282-H378 WeakPolarHBondContact CA-O 3.25Å; F282-H378 HydrophobicContact CD2-CB 4.12Å; F282-H378 AromaticContact CD2-ND1 3.83Å; F282-H378 WeakPolarHBondContact CD2-O 3.3Å; F282-H378 AromaticContact CE2-CE1 3.95Å; F282-H378 AromaticContact CE2-ND1 3.65Å; I283-H378 PolarHBondContact N-O 2.64Å; Y297-H378 HydrophobicContact CE2-CB 4.36Å; Y297-H378 AromaticContact CE2-ND1 3.57Å; Y297-H378 AromaticContact CZ-ND1 3.65Å; Y297-H378 PolarHBondContact OH-ND1 2.91Å; S365-H378 WeakPolarHBondContact CB-NE2 3.32Å; S365-H378 PolarHBondContact OG-NE2 3.17Å; F367-H378 HydrophobicContact CD1-CB 4.04Å; F367-H378 AromaticContact CD1-CD2 3.62Å; F367-H378 AromaticContact CD1-CG 3.77Å; F367-H378 HydrophobicContact CE1-CB 4.24Å; F367-H378 AromaticContact CE1-CD2 3.27Å; F367-H378 WeakPolarHBondContact CE1-CD2 3.27Å; F367-H378 AromaticContact CE1-CE1 3.6Å; F367-H378 AromaticContact CE1-CG 3.5Å; F367-H378 AromaticContact CE1-ND1 3.68Å; F367-H378 AromaticContact CE1-NE2 3.38Å; F367-H378 WeakPolarHBondContact CE1-NE2 3.41Å; F367-H378 AromaticContact CZ-CD2 3.83Å; F367-H378 AromaticContact CZ-CE1 3.99Å; F367-H378 AromaticContact CZ-NE2 3.55Å; H378-V380 VanDerWaalsContact NE2-CG2 3.33Å; H378-V380 WeakPolarHBondContact NE2-CG2 3.3Å |
| 379 | K | 94.9 | Very high | 79.9 | Confident | 60 Ų | 60 | 68.6 Ų | 68.6 | 26% | 0.261 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 126.4 | 178.4 | -172.3 | -176.3 | -163.2 | -161.5 | 0 | 110.3 | I283 S365 T366 Y368 E381 | I283-K379 HydrophobicContact CB-CB 4.28Å; I283-K379 HydrophobicContact CB-CG 4.01Å; I283-K379 HydrophobicContact CG2-CG 4.05Å; I283-K379 CarbonylContact O-C 3.46Å; I283-K379 WeakPolarHBondContact O-CA 3.29Å; S365-K379 CarbonylContact C-O 3.55Å; S365-K379 VanDerWaalsContact CA-O 3.3Å; S365-K379 WeakPolarHBondContact CA-O 3.25Å; T366-K379 PolarHBondContact N-O 3.49Å; T366-K379 PolarHBondContact O-N 3.11Å; Y368-K379 HydrophobicContact CE2-CB 4.26Å; K379-E381 HydrophobicContact CD-CG 4.46Å; K379-E381 WeakPolarHBondContact CD-OE1 3.18Å; K379-E381 WeakPolarHBondContact CE-OE1 3.43Å; K379-E381 HydrophobicContact CG-CG 4.31Å; K379-E381 IonicContact NZ-OE1 3.41Å; K379-E381 PolarHBondContact NZ-OE1 2.91Å |
| 380 | V | 94 | Very high | 77.6 | Confident | 8 Ų | 8 | 73.8 Ų | 73.8 | 5% | 0.048 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 128.9 | 176.1 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | F282 I283 G285 L286 W335 A363 F364 H378 | F282-V380 HydrophobicContact CE2-CG2 3.77Å; F282-V380 HydrophobicContact CZ-CG2 4.16Å; I283-V380 PolarHBondContact O-N 3.32Å; G285-V380 WeakPolarHBondContact CA-O 3.37Å; G285-V380 PolarHBondContact N-O 3.07Å; L286-V380 HydrophobicContact CD1-CG1 3.74Å; L286-V380 HydrophobicContact CG-CG1 4.1Å; W335-V380 HydrophobicContact CH2-CG1 4.47Å; W335-V380 HydrophobicContact CZ2-CG1 3.82Å; A363-V380 HydrophobicContact CB-CG1 4.47Å; F364-V380 CarbonylContact O-C 3.53Å; F364-V380 WeakPolarHBondContact O-CA 3.05Å; H378-V380 VanDerWaalsContact NE2-CG2 3.33Å; H378-V380 WeakPolarHBondContact NE2-CG2 3.3Å |
| 381 | E | 91.4 | Very high | 75.7 | Confident | 78 Ų | 78 | 79.1 Ų | 79.1 | 36% | 0.364 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 140.9 | 179.4 | -66.2 | -177.2 | 175.3 | 0 | 0 | 110.9 | A363 F364 K379 V383 | A363-E381 WeakPolarHBondContact CA-O 3.42Å; A363-E381 WeakPolarHBondContact CB-O 3.27Å; F364-E381 PolarHBondContact N-O 2.98Å; F364-E381 PolarHBondContact O-N 3.38Å; K379-E381 HydrophobicContact CD-CG 4.46Å; K379-E381 WeakPolarHBondContact CD-OE1 3.18Å; K379-E381 WeakPolarHBondContact CE-OE1 3.43Å; K379-E381 HydrophobicContact CG-CG 4.31Å; K379-E381 IonicContact NZ-OE1 3.41Å; K379-E381 PolarHBondContact NZ-OE1 2.91Å; E381-V383 PolarHBondContact O-N 3.16Å |
| 382 | K | 85.4 | Confident | 73.9 | Confident | 135 Ų | 135 | 76.9 Ų | 76.9 | 59% | 0.587 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 131 | 174.9 | -159.9 | 173.5 | 176.6 | 177.7 | 0 | 109.7 | L286 M384 | L286-K382 HydrophobicContact CD2-CB 3.61Å; L286-K382 HydrophobicContact CD2-CD 4.33Å; L286-K382 HydrophobicContact CD2-CG 3.85Å; K382-M384 PolarHBondContact O-N 3.18Å; K382-M384 VanDerWaalsContact O-N 3.16Å |
| 383 | V | 77.1 | Confident | 72 | Confident | 26 Ų | 26 | 84.9 Ų | 84.9 | 16% | 0.158 | 46% | 0.458 | C | S | . | . | trans | -71.7 | 112.4 | 166.5 | 179.5 | 0 | 0 | 0 | 0 | 106.9 | D362 F364 E381 | D362-V383 HydrophobicContact CB-CB 3.8Å; D362-V383 HydrophobicContact CB-CG1 4.28Å; D362-V383 HydrophobicContact CB-CG2 3.91Å; D362-V383 WeakPolarHBondContact O-CB 3.2Å; D362-V383 PolarHBondContact O-N 3.48Å; F364-V383 HydrophobicContact CD2-CB 4.37Å; F364-V383 HydrophobicContact CD2-CG2 3.26Å; F364-V383 HydrophobicContact CE2-CB 4.28Å; F364-V383 HydrophobicContact CE2-CG1 4.22Å; F364-V383 HydrophobicContact CE2-CG2 3.35Å; F364-V383 HydrophobicContact CG-CG2 4.08Å; F364-V383 HydrophobicContact CZ-CG2 4.23Å; E381-V383 PolarHBondContact O-N 3.16Å | ||
| 384 | M | 60.1 | Low | 70.1 | Confident | 164 Ų | 164 | 87.5 Ų | 87.5 | 81% | 0.808 | 47% | 0.471 | S | S | * | . | trans | -66 | 126.9 | 165.4 | -70.1 | -143 | 83 | 0 | 0 | 107.8 | K382 A386 | K382-M384 PolarHBondContact O-N 3.18Å; K382-M384 VanDerWaalsContact O-N 3.16Å; M384-A386 PolarHBondContact O-N 3.44Å | ||
| 385 | P | 55 | Low | 68.2 | Low | 82 Ų | 82 | 93.6 Ų | 93.6 | 53% | 0.532 | 50% | 0.495 | S | S | . | . | trans | -60.4 | 128.4 | 170.4 | 25.8 | -31.1 | 0 | 0 | 0 | 107.6 | Q387 | P385-Q387 WeakPolarHBondContact CB-O 3.39Å; P385-Q387 CarbonylContact O-C 3.55Å; P385-Q387 PolarHBondContact O-N 3.02Å | ||
| 386 | A | 48.6 | Very low | 66.5 | Low | 111 Ų | 111 | 98.3 Ų | 98.3 | 92% | 0.917 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -60.8 | -11.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | M384 | M384-A386 PolarHBondContact O-N 3.44Š|
| 387 | Q | 46.4 | Very low | 64.7 | Low | 145 Ų | 145 | 102 Ų | 102 | 68% | 0.678 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -116.5 | 131.1 | 168.8 | -67.9 | 177.2 | 8 | 0 | 0 | 108.7 | P385 | P385-Q387 WeakPolarHBondContact CB-O 3.39Å; P385-Q387 CarbonylContact O-C 3.55Å; P385-Q387 PolarHBondContact O-N 3.02Å |
| 388 | P | 42.8 | Very low | 63.1 | Low | 104 Ų | 104 | 106.2 Ų | 106.2 | 68% | 0.675 | 57% | 0.57 | S | S | * | * | trans | -54.4 | 142 | 167.2 | 25.1 | -32 | 0 | 0 | 0 | 107.8 | V390 | P388-V390 PolarHBondContact O-N 3.05Š| ||
| 389 | P | 48.3 | Very low | 61.5 | Low | 106 Ų | 106 | 107.3 Ų | 107.3 | 69% | 0.688 | 58% | 0.581 | S | S | * | * | trans | -52.9 | 113.6 | 175.2 | 20.9 | -29.9 | 0 | 0 | 0 | 106.9 | L391 | P389-L391 PolarHBondContact O-N 3.5Š| ||
| 390 | V | 47.8 | Very low | 60.1 | Low | 127 Ų | 127 | 106.4 Ų | 106.4 | 77% | 0.77 | 59% | 0.589 | S | S | * | * | trans | -65.6 | 89.6 | 170.1 | -173.8 | 0 | 0 | 0 | 0 | 103.7 | P388 P392 | P388-V390 PolarHBondContact O-N 3.05Å; V390-P392 VanDerWaalsContact O-N 3.08Å | ||
| 391 | L | 51.3 | Low | 58.9 | Low | 129 Ų | 129 | 108.3 Ų | 108.3 | 68% | 0.675 | 61% | 0.605 | S | S | * | * | trans | -49.8 | 123.7 | 172.4 | -84.8 | 165.9 | 0 | 0 | 0 | 104.7 | P389 R393 | P389-L391 PolarHBondContact O-N 3.5Å; L391-R393 PolarHBondContact O-N 3.34Å; L391-R393 VanDerWaalsContact O-N 3.07Å | ||
| 392 | P | 52.2 | Low | 57.7 | Low | 96 Ų | 96 | 107.5 Ų | 107.5 | 62% | 0.623 | 60% | 0.603 | S | S | * | * | trans | -50.9 | 129.8 | 169.3 | 21 | -28.6 | 0 | 0 | 0 | 105 | V390 V394 | V390-P392 VanDerWaalsContact O-N 3.08Å; P392-V394 HydrophobicContact CG-CG2 4.18Å; P392-V394 WeakPolarHBondContact O-CG2 3.4Å; P392-V394 PolarHBondContact O-N 3.29Å | ||
| 393 | R | 50.3 | Low | 56.9 | Low | 250 Ų | 250 | 105.3 Ų | 105.3 | 94% | 0.943 | 60% | 0.601 | S | S | * | * | trans | -60.4 | 80.5 | 172.5 | -87.3 | -178.9 | 171.3 | 171.7 | -2.7 | 107.1 | L391 K395 | L391-R393 PolarHBondContact O-N 3.34Å; L391-R393 VanDerWaalsContact O-N 3.07Å; R393-K395 PolarHBondContact O-N 2.95Å; R393-K395 VanDerWaalsContact O-N 3.12Å | ||
| 394 | V | 50.8 | Low | 56.5 | Low | 66 Ų | 66 | 108.3 Ų | 108.3 | 40% | 0.4 | 63% | 0.629 | S | S | . | * | trans | -67.7 | 112.1 | 171.3 | -178.3 | 0 | 0 | 0 | 0 | 103.3 | P392 S396 L398 | P392-V394 HydrophobicContact CG-CG2 4.18Å; P392-V394 WeakPolarHBondContact O-CG2 3.4Å; P392-V394 PolarHBondContact O-N 3.29Å; V394-S396 PolarHBondContact O-N 3.12Å; V394-S396 VanDerWaalsContact O-N 3.16Å; V394-L398 HydrophobicContact CG1-CB 3.54Å; V394-L398 HydrophobicContact CG1-CD2 4.29Å; V394-L398 HydrophobicContact CG1-CG 4.36Å | ||
| 395 | K | 53.6 | Low | 56.7 | Low | 183 Ų | 183 | 106.7 Ų | 106.7 | 80% | 0.796 | 62% | 0.623 | S | S | * | * | trans | -44.4 | 126.9 | 175.3 | -63.6 | -179.6 | -179.5 | -178.9 | 0 | 107.3 | R393 L397 L398 | R393-K395 PolarHBondContact O-N 2.95Å; R393-K395 VanDerWaalsContact O-N 3.12Å; K395-L397 PolarHBondContact O-N 3.48Å; K395-L398 PolarHBondContact O-N 3.42Å | ||
| 396 | S | 60.7 | Low | 56.7 | Low | 98 Ų | 98 | 105.4 Ų | 105.4 | 69% | 0.685 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -49.9 | -19.5 | -160.7 | 67.1 | 0 | 0 | 0 | 0 | 116 | V394 G400 | V394-S396 PolarHBondContact O-N 3.12Å; V394-S396 VanDerWaalsContact O-N 3.16Å; S396-G400 PolarHBondContact O-N 3.11Å |
| 397 | L | 58.1 | Low | 57.5 | Low | 147 Ų | 147 | 105.4 Ų | 105.4 | 77% | 0.77 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.5 | -39.7 | 176.4 | -60.5 | 177.7 | 0 | 0 | 0 | 113.6 | K395 G400 A401 | K395-L397 PolarHBondContact O-N 3.48Å; L397-G400 PolarHBondContact O-N 3.31Å; L397-A401 WeakPolarHBondContact O-CB 3.49Å; L397-A401 PolarHBondContact O-N 3.08Å |
| 398 | L | 60.5 | Low | 57.5 | Low | 105 Ų | 105 | 103.3 Ų | 103.3 | 55% | 0.55 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -82 | -30.2 | -177.6 | -148.7 | 161.5 | 0 | 0 | 0 | 110.5 | V394 K395 A401 L402 | V394-L398 HydrophobicContact CG1-CB 3.54Å; V394-L398 HydrophobicContact CG1-CD2 4.29Å; V394-L398 HydrophobicContact CG1-CG 4.36Å; K395-L398 PolarHBondContact O-N 3.42Å; L398-A401 PolarHBondContact O-N 3.4Å; L398-L402 HydrophobicContact CD2-CD1 3.72Å; L398-L402 HydrophobicContact CD2-CG 4.08Å; L398-L402 WeakPolarHBondContact O-CB 3.12Å; L398-L402 WeakPolarHBondContact O-CD1 3.42Å; L398-L402 VanDerWaalsContact O-CG 3.23Å; L398-L402 WeakPolarHBondContact O-CG 3.5Å; L398-L402 PolarHBondContact O-N 3.35Å |
| 399 | A | 62.1 | Low | 57.7 | Low | 34 Ų | 34 | 107.6 Ų | 107.6 | 28% | 0.281 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -62.8 | -44.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A401 L402 V403 | A399-A401 PolarHBondContact O-N 2.87Å; A399-L402 PolarHBondContact O-N 3.07Å; A399-V403 WeakPolarHBondContact O-CG2 3.33Å; A399-V403 PolarHBondContact O-N 3.39Å |
| 400 | G | 66.5 | Low | 57.4 | Low | 41 Ų | 41 | 110.8 Ų | 110.8 | 42% | 0.423 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -61.6 | -40.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S396 L397 V403 A404 | S396-G400 PolarHBondContact O-N 3.11Å; L397-G400 PolarHBondContact O-N 3.31Å; G400-V403 PolarHBondContact O-N 3.44Å; G400-A404 WeakPolarHBondContact O-CB 3.48Å; G400-A404 PolarHBondContact O-N 3.14Å |
| 401 | A | 68.8 | Low | 57.1 | Low | 47 Ų | 47 | 115.3 Ų | 115.3 | 39% | 0.388 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.5 | -41.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L397 L398 A399 V403 A404 L405 | L397-A401 WeakPolarHBondContact O-CB 3.49Å; L397-A401 PolarHBondContact O-N 3.08Å; L398-A401 PolarHBondContact O-N 3.4Å; A399-A401 PolarHBondContact O-N 2.87Å; A401-V403 VanDerWaalsContact C-N 3.33Å; A401-V403 PolarHBondContact O-N 3.21Å; A401-A404 PolarHBondContact O-N 3.45Å; A401-L405 WeakPolarHBondContact O-CB 3.15Å; A401-L405 WeakPolarHBondContact O-CD1 3.29Å; A401-L405 WeakPolarHBondContact O-CG 3.33Å; A401-L405 PolarHBondContact O-N 3.17Å |
| 402 | L | 65.6 | Low | 56.7 | Low | 62 Ų | 62 | 114.9 Ų | 114.9 | 33% | 0.325 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -67.8 | -32.8 | 178.2 | -72 | 165.9 | 0 | 0 | 0 | 112.8 | L398 A399 G406 V407 | L398-L402 HydrophobicContact CD2-CD1 3.72Å; L398-L402 HydrophobicContact CD2-CG 4.08Å; L398-L402 WeakPolarHBondContact O-CB 3.12Å; L398-L402 WeakPolarHBondContact O-CD1 3.42Å; L398-L402 VanDerWaalsContact O-CG 3.23Å; L398-L402 WeakPolarHBondContact O-CG 3.5Å; L398-L402 PolarHBondContact O-N 3.35Å; A399-L402 PolarHBondContact O-N 3.07Å; L402-G406 PolarHBondContact O-N 3.35Å; L402-V407 PolarHBondContact O-N 3.43Å; L402-V407 VanDerWaalsContact O-N 3.16Å |
| 403 | V | 69.1 | Low | 56.1 | Low | 89 Ų | 89 | 113.2 Ų | 113.2 | 54% | 0.539 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -71.6 | -43 | 171.9 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | A399 G400 A401 L405 G406 Q408 | A399-V403 WeakPolarHBondContact O-CG2 3.33Å; A399-V403 PolarHBondContact O-N 3.39Å; G400-V403 PolarHBondContact O-N 3.44Å; A401-V403 VanDerWaalsContact C-N 3.33Å; A401-V403 PolarHBondContact O-N 3.21Å; V403-L405 VanDerWaalsContact C-N 3.26Å; V403-L405 PolarHBondContact O-N 3.41Å; V403-G406 PolarHBondContact O-N 3.16Å; V403-G406 VanDerWaalsContact O-N 3.07Å; V403-Q408 HydrophobicContact CG2-CB 4.5Å |
| 404 | A | 67.3 | Low | 55.7 | Low | 89 Ų | 89 | 108.9 Ų | 108.9 | 74% | 0.736 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65 | -30.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G400 A401 G406 | G400-A404 WeakPolarHBondContact O-CB 3.48Å; G400-A404 PolarHBondContact O-N 3.14Å; A401-A404 PolarHBondContact O-N 3.45Å; A404-G406 VanDerWaalsContact C-N 3.26Å; A404-G406 PolarHBondContact O-N 3.45Å |
| 405 | L | 65.1 | Low | 55.3 | Low | 130 Ų | 130 | 113.4 Ų | 113.4 | 68% | 0.681 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | 0.1 | 175 | -68 | 169.9 | 0 | 0 | 0 | 113.3 | A401 V403 V407 | A401-L405 WeakPolarHBondContact O-CB 3.15Å; A401-L405 WeakPolarHBondContact O-CD1 3.29Å; A401-L405 WeakPolarHBondContact O-CG 3.33Å; A401-L405 PolarHBondContact O-N 3.17Å; V403-L405 VanDerWaalsContact C-N 3.26Å; V403-L405 PolarHBondContact O-N 3.41Å; L405-V407 HydrophobicContact CB-CG2 4.08Å; L405-V407 PolarHBondContact O-N 3.38Å |
| 406 | G | 54.9 | Low | 54.9 | Low | 55 Ų | 55 | 113.2 Ų | 113.2 | 57% | 0.567 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.1 | 12.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L402 V403 A404 Q408 | L402-G406 PolarHBondContact O-N 3.35Å; V403-G406 PolarHBondContact O-N 3.16Å; V403-G406 VanDerWaalsContact O-N 3.07Å; A404-G406 VanDerWaalsContact C-N 3.26Å; A404-G406 PolarHBondContact O-N 3.45Å; G406-Q408 VanDerWaalsContact C-N 3.35Å |
| 407 | V | 64.3 | Low | 54 | Low | 111 Ų | 111 | 116.3 Ų | 116.3 | 67% | 0.673 | 65% | 0.653 | S | S | * | * | trans | -82.8 | -16.8 | -176.1 | 179 | 0 | 0 | 0 | 0 | 111.7 | L402 L405 | L402-V407 PolarHBondContact O-N 3.43Å; L402-V407 VanDerWaalsContact O-N 3.16Å; L405-V407 HydrophobicContact CB-CG2 4.08Å; L405-V407 PolarHBondContact O-N 3.38Å | ||
| 408 | Q | 46.4 | Very low | 53.4 | Low | 101 Ų | 101 | 113.8 Ų | 113.8 | 47% | 0.472 | 65% | 0.645 | S | S | . | * | trans | -116.5 | 93.3 | -179.7 | -167.2 | 168.1 | 47.8 | 0 | 0 | 110.9 | V403 G406 H410 | V403-Q408 HydrophobicContact CG2-CB 4.5Å; G406-Q408 VanDerWaalsContact C-N 3.35Å; Q408-H410 PolarHBondContact O-N 3.38Å | ||
| 409 | E | 48.8 | Very low | 52.6 | Low | 193 Ų | 193 | 114.7 Ų | 114.7 | 90% | 0.902 | 66% | 0.658 | S | S | * | * | trans | -78.7 | 95.8 | 169.2 | -76.7 | 179.3 | 161.4 | 0 | 0 | 110.1 | ||||
| 410 | H | 40.6 | Very low | 51.9 | Low | 173 Ų | 173 | 119.6 Ų | 119.6 | 80% | 0.801 | 68% | 0.678 | S | S | * | * | trans | -137.2 | 102.2 | 154.2 | -132.4 | -33.7 | 0 | 0 | 0 | 109 | Q408 | Q408-H410 PolarHBondContact O-N 3.38Š| ||
| 411 | R | 41.6 | Very low | 50.7 | Low | 223 Ų | 223 | 125.7 Ų | 125.7 | 84% | 0.842 | 70% | 0.7 | S | S | * | * | trans | -113.6 | 147.5 | 154.9 | -93.5 | -162.8 | -179 | 176.1 | 3.6 | 107.7 | ||||
| 412 | P | 42.6 | Very low | 49.4 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | -109.8 | 128.3 | 63 | 34.2 | -26.3 | 0 | 0 | 0 | 111.6 | |||||
| 413 | A | 41.1 | Very low | 48.3 | Very low | 62 Ų | 62 | 131.3 Ų | 131.3 | 51% | 0.512 | 74% | 0.742 | S | S | . | * | 91.4 | 127.6 | 84.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 414 | L | 42.2 | Very low | 47.2 | Very low | 159 Ų | 159 | 135.5 Ų | 135.5 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | 57.4 | 89.6 | 156.7 | -64.9 | 159.1 | 0 | 0 | 0 | 117.2 | ||||
| 415 | N | 42.5 | Very low | 46.2 | Very low | 161 Ų | 161 | 142.9 Ų | 142.9 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | -179.4 | 41.7 | 145.6 | -91.2 | -29.9 | 0 | 0 | 0 | 113.2 | ||||
| 416 | L | 44.2 | Very low | 45.2 | Very low | 178 Ų | 178 | 145.9 Ų | 145.9 | 93% | 0.932 | 78% | 0.779 | S | S | * | * | trans | -126.7 | 60.2 | 169.2 | -66.5 | 175 | 0 | 0 | 0 | 109.8 | ||||
| 417 | L | 41.5 | Very low | 44.1 | Very low | 163 Ų | 163 | 148.8 Ų | 148.8 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -87.8 | 127 | 149.4 | -71.7 | 175.2 | 0 | 0 | 0 | 106.7 | ||||
| 418 | P | 45.8 | Very low | 43.1 | Very low | 94 Ų | 94 | 152.7 Ų | 152.7 | 61% | 0.61 | 80% | 0.799 | S | S | * | * | trans | -71.5 | 133.8 | 177.3 | 27.4 | -30.6 | 0 | 0 | 0 | 110 | I420 | P418-I420 HydrophobicContact CB-CD1 4.28Å; P418-I420 HydrophobicContact CB-CG1 4.24Å; P418-I420 PolarHBondContact O-N 3.4Å | ||
| 419 | P | 42.7 | Very low | 42.6 | Very low | 125 Ų | 125 | 158.9 Ų | 158.9 | 81% | 0.812 | 84% | 0.835 | S | S | * | * | trans | -82.2 | 77.8 | 166.5 | 34.4 | -28.6 | 0 | 0 | 0 | 107.2 | ||||
| 420 | I | 47.6 | Very low | 42.3 | Very low | 137 Ų | 137 | 157.2 Ų | 157.2 | 70% | 0.703 | 83% | 0.832 | S | S | * | * | trans | -99.7 | 124.7 | 161.2 | -60.6 | 168.1 | 0 | 0 | 0 | 104.3 | P418 | P418-I420 HydrophobicContact CB-CD1 4.28Å; P418-I420 HydrophobicContact CB-CG1 4.24Å; P418-I420 PolarHBondContact O-N 3.4Å | ||
| 421 | L | 42.1 | Very low | 42.4 | Very low | 168 Ų | 168 | 156.4 Ų | 156.4 | 88% | 0.88 | 83% | 0.833 | S | S | * | * | S | Bend | trans | 104.4 | 61.7 | -178.6 | -52.5 | 175.6 | 0 | 0 | 0 | 116.4 | ||
| 422 | S | 41.2 | Very low | 42.5 | Very low | 115 Ų | 115 | 152.7 Ų | 152.7 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -153.9 | 31.8 | 151.5 | 63.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 423 | S | 42.5 | Very low | 42.4 | Very low | 113 Ų | 113 | 154.6 Ų | 154.6 | 79% | 0.79 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -145.7 | 63.7 | 174.6 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | ||
| 424 | L | 45.9 | Very low | 42.5 | Very low | 176 Ų | 176 | 160.4 Ų | 160.4 | 92% | 0.921 | 86% | 0.857 | S | S | * | * | trans | -160.8 | 66.9 | 159.3 | -126.5 | 127.9 | 0 | 0 | 0 | 111.5 | ||||
| 425 | R | 46.1 | Very low | 42.6 | Very low | 244 Ų | 244 | 160.5 Ų | 160.5 | 92% | 0.921 | 86% | 0.858 | S | S | * | * | trans | -168 | 87.3 | 149.3 | -116.3 | -178.2 | -171.4 | -160.3 | 2.7 | 110.3 | ||||
| 426 | Q | 44 | Very low | 42.6 | Very low | 194 Ų | 194 | 160.5 Ų | 160.5 | 91% | 0.907 | 86% | 0.858 | S | S | * | * | trans | -168.8 | 144.1 | 142.1 | -107.9 | 170.5 | 4.9 | 0 | 0 | 109.3 | ||||
| 427 | S | 33.3 | Very low | 42.4 | Very low | 115 Ų | 115 | 159.2 Ų | 159.2 | 80% | 0.804 | 85% | 0.853 | S | S | * | * | trans | 86.9 | 114.9 | -168.5 | -158.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 428 | K | 41.7 | Very low | 42.5 | Very low | 194 Ų | 194 | 158.8 Ų | 158.8 | 84% | 0.843 | 85% | 0.853 | S | S | * | * | cis | -159.4 | 154.4 | 36.8 | -162.9 | 171.9 | 174.4 | 177.6 | 0 | 111.2 | ||||
| 429 | N | 37.3 | Very low | 42.2 | Very low | 231 Ų | 231 | 164.7 Ų | 164.7 | 100% | 1.235 | 88% | 0.875 | S | S | * | * | trans | -40.8 | 0 | 159 | -68.8 | -15.7 | 0 | 0 | 0 | 113.7 |
Retrieved 429 of 429 residues in 52.6 ms
(Link to these results)