| 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 | 40.7 | Very low | 33.8 | Very low | 244 Ų | 244 | 159.8 Ų | 159.8 | 100% | 1.202 | 88% | 0.876 | S | S | * | * | 0 | 117.4 | 0 | -93.3 | 175.4 | 163.1 | 0 | 0 | 107.8 | |||||
| 2 | M | 26.6 | Very low | 34.4 | Very low | 180 Ų | 180 | 158.8 Ų | 158.8 | 89% | 0.887 | 87% | 0.869 | S | S | * | * | trans | -85.5 | 121.3 | -177.5 | -172.2 | 178.5 | -172.6 | 0 | 0 | 107.8 | ||||
| 3 | L | 32 | Very low | 34.6 | Very low | 167 Ų | 167 | 157.8 Ų | 157.8 | 87% | 0.874 | 86% | 0.862 | S | S | * | * | trans | -134.8 | 115.3 | 170 | -73.6 | 176 | 0 | 0 | 0 | 111 | ||||
| 4 | T | 28.5 | Very low | 34.9 | Very low | 116 Ų | 116 | 163.6 Ų | 163.6 | 71% | 0.712 | 87% | 0.865 | S | S | * | * | trans | -60 | 135 | -177.6 | -41.4 | 0 | 0 | 0 | 0 | 112.8 | T6 | T4-T6 HydrophobicContact CG2-CG2 4.44Š| ||
| 5 | L | 32 | Very low | 34.7 | Very low | 177 Ų | 177 | 163.9 Ų | 163.9 | 93% | 0.927 | 87% | 0.866 | S | S | * | * | trans | -90.9 | 121.2 | 165.2 | -74.5 | 168.2 | 0 | 0 | 0 | 109.4 | ||||
| 6 | T | 33.8 | Very low | 35.2 | Very low | 132 Ų | 132 | 163.5 Ų | 163.5 | 81% | 0.81 | 86% | 0.864 | S | S | * | * | trans | -110.3 | 131.9 | 171.1 | 49.9 | 0 | 0 | 0 | 0 | 110.4 | T4 | T4-T6 HydrophobicContact CG2-CG2 4.44Š| ||
| 7 | A | 30.7 | Very low | 35.4 | Very low | 108 Ų | 108 | 161.1 Ų | 161.1 | 89% | 0.893 | 86% | 0.86 | S | S | * | * | trans | -97.5 | 160 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 8 | R | 33.2 | Very low | 35.8 | Very low | 245 Ų | 245 | 159.9 Ų | 159.9 | 93% | 0.925 | 85% | 0.852 | S | S | * | * | trans | -145.3 | 137.2 | 156.2 | -113.5 | -178.8 | 174.6 | -180 | -0.1 | 104.4 | ||||
| 9 | K | 35 | Very low | 35.9 | Very low | 207 Ų | 207 | 158.5 Ų | 158.5 | 90% | 0.9 | 85% | 0.85 | S | S | * | * | cis | -175 | 131.9 | 30.2 | 172.5 | -179.2 | -179.2 | -177.6 | 0 | 106.9 | ||||
| 10 | G | 38.9 | Very low | 36 | Very low | 72 Ų | 72 | 158.7 Ų | 158.7 | 74% | 0.742 | 85% | 0.85 | S | S | * | * | trans | 163.7 | 111.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 11 | S | 40.8 | Very low | 36.1 | Very low | 110 Ų | 110 | 158.6 Ų | 158.6 | 77% | 0.769 | 85% | 0.849 | S | S | * | * | trans | 3.3 | 126.9 | 177.2 | 65.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 12 | N | 40.9 | Very low | 36 | Very low | 148 Ų | 148 | 151.9 Ų | 151.9 | 79% | 0.791 | 83% | 0.832 | S | S | * | * | trans | 62.9 | 137.1 | 149.8 | -65.1 | -10.7 | 0 | 0 | 0 | 119 | ||||
| 13 | D | 37.5 | Very low | 36.5 | Very low | 146 Ų | 146 | 151.4 Ų | 151.4 | 78% | 0.781 | 83% | 0.828 | S | S | * | * | trans | 85.8 | 90.6 | 159.6 | -56.2 | -26.4 | 0 | 0 | 0 | 118.7 | ||||
| 14 | R | 38.6 | Very low | 36.8 | Very low | 238 Ų | 238 | 152.6 Ų | 152.6 | 90% | 0.898 | 83% | 0.829 | S | S | * | * | trans | 45.6 | 102.2 | 132.2 | -70.2 | -176.4 | 172.1 | -172.9 | -1.8 | 117.4 | ||||
| 15 | L | 30.7 | Very low | 37.3 | Very low | 168 Ų | 168 | 152.5 Ų | 152.5 | 88% | 0.88 | 84% | 0.84 | S | S | * | * | trans | -56.5 | 129.9 | 162.9 | -63.3 | 163 | 0 | 0 | 0 | 112.4 | ||||
| 16 | L | 43.4 | Very low | 37.6 | Very low | 158 Ų | 158 | 147.9 Ų | 147.9 | 83% | 0.827 | 84% | 0.835 | S | S | * | * | trans | -135.2 | 118.2 | 148.6 | -74.4 | 176.6 | 0 | 0 | 0 | 108.4 | I18 | L16-I18 PolarHBondContact O-N 3.41Š| ||
| 17 | P | 39.2 | Very low | 37.9 | Very low | 123 Ų | 123 | 146.9 Ų | 146.9 | 80% | 0.799 | 83% | 0.834 | S | S | * | * | trans | -80.3 | 112.8 | 171.1 | 29.8 | -26.8 | 0 | 0 | 0 | 108.8 | ||||
| 18 | I | 42.4 | Very low | 38.3 | Very low | 140 Ų | 140 | 149.8 Ų | 149.8 | 72% | 0.718 | 83% | 0.828 | S | S | * | * | trans | -89.9 | 108.3 | 168.2 | -62.7 | 175.7 | 0 | 0 | 0 | 107.6 | L16 L20 | L16-I18 PolarHBondContact O-N 3.41Å; I18-L20 HydrophobicContact CG2-CD1 3.37Å | ||
| 19 | T | 37 | Very low | 38.6 | Very low | 133 Ų | 133 | 146.2 Ų | 146.2 | 82% | 0.816 | 83% | 0.827 | S | S | * | * | trans | -66.4 | 120.1 | 158.3 | 42.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 20 | L | 38.7 | Very low | 39 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | trans | -130.8 | 124.4 | 165 | -120.2 | 101.8 | 0 | 0 | 0 | 111.2 | I18 | I18-L20 HydrophobicContact CG2-CD1 3.37Š| ||
| 21 | D | 37.6 | Very low | 39.1 | Very low | 157 Ų | 157 | 151.8 Ų | 151.8 | 84% | 0.84 | 83% | 0.831 | S | S | * | * | trans | -69.2 | 152.1 | -170.5 | -87.1 | -47.3 | 0 | 0 | 0 | 114.5 | H23 | D21-H23 VanDerWaalsContact C-N 3.32Å; D21-H23 PolarHBondContact O-N 2.92Å | ||
| 22 | A | 37.8 | Very low | 38.8 | Very low | 103 Ų | 103 | 154 Ų | 154 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -68.1 | 80.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 23 | H | 38.5 | Very low | 38.7 | Very low | 171 Ų | 171 | 156.1 Ų | 156.1 | 79% | 0.792 | 84% | 0.838 | S | S | * | * | trans | -152.1 | 41.9 | 170.7 | -144.2 | -78 | 0 | 0 | 0 | 114.9 | D21 | D21-H23 VanDerWaalsContact C-N 3.32Å; D21-H23 PolarHBondContact O-N 2.92Å | ||
| 24 | E | 38.6 | Very low | 38.7 | Very low | 192 Ų | 192 | 158.3 Ų | 158.3 | 90% | 0.897 | 84% | 0.841 | S | S | * | * | trans | -154.5 | 23.9 | 170.1 | -137.6 | 162.3 | 174.3 | 0 | 0 | 116.5 | ||||
| 25 | A | 38.8 | Very low | 38.5 | Very low | 114 Ų | 114 | 152.9 Ų | 152.9 | 94% | 0.942 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -89.5 | 7.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 26 | G | 36.9 | Very low | 38.7 | Very low | 80 Ų | 80 | 156.9 Ų | 156.9 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -103.3 | -15.2 | -166 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 27 | S | 41.1 | Very low | 38.3 | Very low | 111 Ų | 111 | 159.4 Ų | 159.4 | 78% | 0.776 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -125.3 | 8.7 | -159.1 | -156.5 | 0 | 0 | 0 | 0 | 118 | ||
| 28 | Q | 39.7 | Very low | 37.9 | Very low | 168 Ų | 168 | 159.2 Ų | 159.2 | 79% | 0.785 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -110.5 | -11.3 | -178.7 | -71.2 | -82.3 | -7.6 | 0 | 0 | 114.8 | ||
| 29 | L | 37.9 | Very low | 37.4 | Very low | 171 Ų | 171 | 163 Ų | 163 | 90% | 0.895 | 84% | 0.844 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -2.9 | -176.5 | -118.2 | 93.3 | 0 | 0 | 0 | 115.8 | ||
| 30 | K | 43.9 | Very low | 37.1 | Very low | 207 Ų | 207 | 161.6 Ų | 161.6 | 90% | 0.9 | 84% | 0.84 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 5.8 | -179.5 | -97.3 | -180 | 178.1 | 175.6 | 0 | 115.3 | ||
| 31 | K | 41.4 | Very low | 36.8 | Very low | 188 Ų | 188 | 162.1 Ų | 162.1 | 82% | 0.817 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -114 | 0.3 | -177.5 | -89.3 | 180 | 176.2 | 176 | 0 | 116.4 | ||
| 32 | L | 34.5 | Very low | 36.7 | Very low | 156 Ų | 156 | 161.7 Ų | 161.7 | 82% | 0.817 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -109 | 14.6 | -176.5 | -78.4 | 166.3 | 0 | 0 | 0 | 115.9 | ||
| 33 | Q | 39.6 | Very low | 36.4 | Very low | 193 Ų | 193 | 164.2 Ų | 164.2 | 90% | 0.902 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -92.8 | 17.4 | 173.6 | -79.8 | -172.1 | -31.1 | 0 | 0 | 114.6 | ||
| 34 | K | 36.7 | Very low | 36.3 | Very low | 193 Ų | 193 | 161.7 Ų | 161.7 | 84% | 0.839 | 84% | 0.841 | S | S | * | * | trans | -127.7 | 53.6 | -169.8 | -138.3 | 178 | -170.4 | -179.5 | 0 | 114.2 | ||||
| 35 | T | 35.2 | Very low | 35.9 | Very low | 123 Ų | 123 | 163.9 Ų | 163.9 | 76% | 0.755 | 84% | 0.841 | S | S | * | * | trans | -147.8 | 77.1 | 163.1 | -14.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 36 | R | 33.2 | Very low | 35.8 | Very low | 252 Ų | 252 | 164.9 Ų | 164.9 | 95% | 0.951 | 84% | 0.836 | S | S | * | * | trans | -65.4 | 127.2 | 155.2 | -86 | -178.1 | 169.7 | -175.3 | -0.4 | 107.9 | ||||
| 37 | R | 35.5 | Very low | 35.5 | Very low | 212 Ų | 212 | 165 Ų | 165 | 80% | 0.8 | 83% | 0.829 | S | S | * | * | trans | -123.2 | 108.5 | 155 | -80.6 | -170.5 | 176.2 | -172.9 | -0.3 | 109 | ||||
| 38 | S | 31.6 | Very low | 35.1 | Very low | 118 Ų | 118 | 167 Ų | 167 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | trans | -68.3 | 129 | 165.6 | 38.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 39 | Y | 32.5 | Very low | 34.7 | Very low | 219 Ų | 219 | 167.5 Ų | 167.5 | 86% | 0.859 | 83% | 0.833 | S | S | * | * | trans | -94.6 | 114.9 | 160.1 | -76.7 | -85.3 | 0 | 0 | 0 | 108.2 | ||||
| 40 | S | 30.5 | Very low | 34.2 | Very low | 104 Ų | 104 | 164.7 Ų | 164.7 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | trans | -79 | 131.8 | 169.7 | -170.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 41 | L | 31.8 | Very low | 33.6 | Very low | 173 Ų | 173 | 162.8 Ų | 162.8 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | trans | -92.6 | 115.8 | 167.9 | -105.6 | 150.2 | 0 | 0 | 0 | 106.7 | ||||
| 42 | D | 35.7 | Very low | 33.1 | Very low | 148 Ų | 148 | 157.8 Ų | 157.8 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | trans | -106.7 | 135.9 | 167.2 | -101.1 | -39.7 | 0 | 0 | 0 | 111.8 | ||||
| 43 | N | 31.5 | Very low | 33 | Very low | 155 Ų | 155 | 159.8 Ų | 159.8 | 83% | 0.829 | 82% | 0.822 | S | S | * | * | trans | -58.7 | 148.3 | -178.9 | -79.7 | -47.5 | 0 | 0 | 0 | 113.7 | ||||
| 44 | S | 35.9 | Very low | 32.8 | Very low | 118 Ų | 118 | 155.7 Ų | 155.7 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | -167.8 | 119.4 | 126.2 | 45.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 45 | R | 31.1 | Very low | 32.5 | Very low | 238 Ų | 238 | 155 Ų | 155 | 90% | 0.898 | 81% | 0.814 | S | S | * | * | trans | -24.2 | 135.1 | 153.1 | -73.5 | 166.1 | 160 | 171.2 | -6.1 | 115.7 | ||||
| 46 | T | 35.7 | Very low | 32.3 | Very low | 136 Ų | 136 | 157.1 Ų | 157.1 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | 179.3 | 111.1 | 123.9 | 16.8 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 47 | A | 30.9 | Very low | 32.1 | Very low | 82 Ų | 82 | 149.2 Ų | 149.2 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | 77.1 | 127.4 | 86.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 48 | L | 31.6 | Very low | 31.9 | Very low | 154 Ų | 154 | 147.5 Ų | 147.5 | 81% | 0.806 | 81% | 0.813 | S | S | * | * | trans | 79.8 | 111.7 | 148.9 | -66.2 | 163.4 | 0 | 0 | 0 | 118.8 | ||||
| 49 | Q | 33.1 | Very low | 31.7 | Very low | 178 Ų | 178 | 149.2 Ų | 149.2 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | 136.3 | 104.9 | 110.6 | -94.1 | 168.7 | 5.8 | 0 | 0 | 114.4 | |||||
| 50 | S | 26.9 | Very low | 31.7 | Very low | 111 Ų | 111 | 148.4 Ų | 148.4 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | -66.6 | 136.1 | 148.5 | 54.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 51 | L | 30 | Very low | 31.8 | Very low | 168 Ų | 168 | 149.3 Ų | 149.3 | 88% | 0.88 | 81% | 0.809 | S | S | * | * | 177.8 | 154.1 | 129.2 | -150 | 65.2 | 0 | 0 | 0 | 111.8 | |||||
| 52 | A | 32.5 | Very low | 31.8 | Very low | 82 Ų | 82 | 148 Ų | 148 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | trans | 93.6 | 100.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 53 | K | 32.2 | Very low | 31.7 | Very low | 198 Ų | 198 | 145.9 Ų | 145.9 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | 79.9 | 111.6 | 72.1 | -82.4 | -175.2 | 178.2 | -178.8 | 0 | 113.2 | |||||
| 54 | S | 35.2 | Very low | 31.5 | Very low | 108 Ų | 108 | 146.4 Ų | 146.4 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | 170 | 109.1 | 127.8 | 53.9 | 0 | 0 | 0 | 0 | 109 | |||||
| 55 | H | 29.6 | Very low | 31.3 | Very low | 179 Ų | 179 | 145 Ų | 145 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | 63.1 | 114.2 | 99.5 | -84.1 | -82.3 | 0 | 0 | 0 | 114.3 | |||||
| 56 | I | 32 | Very low | 31.2 | Very low | 166 Ų | 166 | 141.4 Ų | 141.4 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | 178.3 | 131.3 | 103.3 | -82.2 | 159.7 | 0 | 0 | 0 | 108.4 | |||||
| 57 | A | 27.5 | Very low | 31 | Very low | 86 Ų | 86 | 143.1 Ų | 143.1 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | -86.1 | 159.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 58 | L | 32.6 | Very low | 30.9 | Very low | 176 Ų | 176 | 145.3 Ų | 145.3 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -155.3 | 115.9 | 142.2 | -107.3 | 157.4 | 0 | 0 | 0 | 109.1 | ||||
| 59 | E | 27.1 | Very low | 30.6 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 72% | 0.724 | 80% | 0.8 | S | S | * | * | trans | -65.1 | 151.7 | 168.8 | -66.7 | -174.3 | 128.7 | 0 | 0 | 111.1 | ||||
| 60 | E | 33.3 | Very low | 30.6 | Very low | 202 Ų | 202 | 142 Ų | 142 | 94% | 0.944 | 80% | 0.802 | S | S | * | * | trans | -149.8 | 124.6 | 131.4 | -129.2 | 175.4 | -175.3 | 0 | 0 | 111.1 | ||||
| 61 | N | 30.7 | Very low | 30.7 | Very low | 123 Ų | 123 | 144.8 Ų | 144.8 | 66% | 0.658 | 80% | 0.802 | S | S | * | * | trans | -82.5 | 137.2 | -178.1 | -77 | -72.6 | 0 | 0 | 0 | 111.3 | ||||
| 62 | V | 33.8 | Very low | 30.8 | Very low | 144 Ų | 144 | 146 Ų | 146 | 87% | 0.873 | 80% | 0.8 | S | S | * | * | trans | -149.8 | 124.3 | 141.9 | -172.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 63 | P | 31.6 | Very low | 30.7 | Very low | 104 Ų | 104 | 150.1 Ų | 150.1 | 68% | 0.675 | 80% | 0.803 | S | S | * | * | trans | -102.4 | 155.7 | -178.2 | 37.1 | -30.5 | 0 | 0 | 0 | 114.8 | ||||
| 64 | N | 28.8 | Very low | 30.7 | Very low | 166 Ų | 166 | 147.9 Ų | 147.9 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | 46.3 | 113.1 | 149.8 | -70.2 | -20.2 | 0 | 0 | 0 | 121.1 | ||||
| 65 | A | 31.7 | Very low | 30.4 | Very low | 88 Ų | 88 | 150 Ų | 150 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -156.8 | 111.1 | 140.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 66 | L | 27.8 | Very low | 30.5 | Very low | 163 Ų | 163 | 149.8 Ų | 149.8 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | 57.6 | 111.6 | 107 | -65.1 | 169.1 | 0 | 0 | 0 | 114.1 | |||||
| 67 | L | 31.8 | Very low | 30.3 | Very low | 172 Ų | 172 | 147.9 Ų | 147.9 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | -175.8 | 112.9 | 119.3 | -95.8 | 155.3 | 0 | 0 | 0 | 111.7 | |||||
| 68 | T | 28.5 | Very low | 30.3 | Very low | 129 Ų | 129 | 151.5 Ų | 151.5 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -62.1 | 149.9 | 165.9 | 44.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 69 | G | 26.1 | Very low | 30.3 | Very low | 66 Ų | 66 | 148.3 Ų | 148.3 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | trans | 105.1 | 135.7 | 136 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 70 | F | 33.2 | Very low | 30.3 | Very low | 195 Ų | 195 | 149.8 Ų | 149.8 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | 134.5 | 93.9 | 155 | -72.3 | -65.2 | 0 | 0 | 0 | 108.8 | ||||
| 71 | Q | 28.8 | Very low | 30.1 | Very low | 170 Ų | 170 | 151.6 Ų | 151.6 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | 40.1 | 125.8 | 93.1 | -62.4 | -166.4 | 7.2 | 0 | 0 | 111.4 | |||||
| 72 | K | 33 | Very low | 30 | Very low | 193 Ų | 193 | 152 Ų | 152 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | -175.3 | 151 | 50.5 | -158.3 | 170 | -179.8 | 177.8 | 0 | 108.3 | |||||
| 73 | K | 29.1 | Very low | 29.5 | Very low | 170 Ų | 170 | 153.1 Ų | 153.1 | 74% | 0.739 | 79% | 0.793 | S | S | * | * | trans | -43.5 | 139.5 | 167.1 | -82.4 | 166.9 | 166 | 171.1 | 0 | 111.4 | ||||
| 74 | D | 32.6 | Very low | 29.2 | Very low | 151 Ų | 151 | 159 Ų | 159 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | trans | -146.3 | 126.1 | 135.2 | -88.9 | -36.4 | 0 | 0 | 0 | 111.2 | ||||
| 75 | H | 28 | Very low | 29.1 | Very low | 153 Ų | 153 | 155.7 Ų | 155.7 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | trans | -80.1 | 118.2 | 173 | -74.3 | 23.9 | 0 | 0 | 0 | 108.5 | ||||
| 76 | F | 32.2 | Very low | 28.8 | Very low | 174 Ų | 174 | 160.3 Ų | 160.3 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | trans | -130.3 | 96.7 | 157.5 | -87.6 | -82.5 | 0 | 0 | 0 | 110 | H78 | F76-H78 PolarHBondContact O-N 2.86Š| ||
| 77 | V | 27.1 | Very low | 28.8 | Very low | 126 Ų | 126 | 158 Ų | 158 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | -72.6 | 113.2 | 160.8 | 174 | 0 | 0 | 0 | 0 | 107 | ||||
| 78 | H | 29.3 | Very low | 28.5 | Very low | 161 Ų | 161 | 153.9 Ų | 153.9 | 75% | 0.745 | 78% | 0.776 | S | S | * | * | trans | -123.3 | 112.3 | 159.2 | -85.8 | -14.9 | 0 | 0 | 0 | 109 | F76 M80 | F76-H78 PolarHBondContact O-N 2.86Å; H78-M80 PolarHBondContact O-N 3.34Å; H78-M80 VanDerWaalsContact O-N 3.12Å | ||
| 79 | P | 31.5 | Very low | 28.5 | Very low | 110 Ų | 110 | 156.2 Ų | 156.2 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | trans | -76.1 | 100.7 | 171.7 | 30.1 | -27.2 | 0 | 0 | 0 | 107.7 | R81 | P79-R81 PolarHBondContact O-N 3.45Š| ||
| 80 | M | 27.2 | Very low | 28.8 | Very low | 185 Ų | 185 | 158.7 Ų | 158.7 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | trans | -73.1 | 96.3 | 172.7 | -143 | 179.9 | 176.6 | 0 | 0 | 108.3 | H78 T82 | H78-M80 PolarHBondContact O-N 3.34Å; H78-M80 VanDerWaalsContact O-N 3.12Å; M80-T82 PolarHBondContact O-N 3.1Å | ||
| 81 | R | 28.9 | Very low | 28.6 | Very low | 241 Ų | 241 | 156.5 Ų | 156.5 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | trans | -55.4 | 117.7 | 175 | -80.6 | 179.9 | 172 | 175 | -2.6 | 110.3 | P79 H83 | P79-R81 PolarHBondContact O-N 3.45Å; R81-H83 PolarHBondContact O-N 3.05Å | ||
| 82 | T | 28.5 | Very low | 28.5 | Very low | 132 Ų | 132 | 157.8 Ų | 157.8 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -79.7 | 100.7 | 168.6 | 49.8 | 0 | 0 | 0 | 0 | 109.8 | M80 | M80-T82 PolarHBondContact O-N 3.1Š| ||
| 83 | H | 23.5 | Very low | 28.1 | Very low | 166 Ų | 166 | 160.2 Ų | 160.2 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -122.5 | 73.3 | 165 | -150.9 | -73.1 | 0 | 0 | 0 | 109.1 | R81 | R81-H83 PolarHBondContact O-N 3.05Š| ||
| 84 | W | 26.4 | Very low | 28.1 | Very low | 227 Ų | 227 | 157.6 Ų | 157.6 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -106.8 | 93.8 | 166.2 | -70.8 | 96.6 | 0 | 0 | 0 | 107.9 | ||||
| 85 | S | 26.5 | Very low | 27.8 | Very low | 97 Ų | 97 | 155.1 Ų | 155.1 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | -78.4 | 112.1 | 161.6 | 41.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 86 | F | 25.8 | Very low | 27.9 | Very low | 186 Ų | 186 | 157.7 Ų | 157.7 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 139.5 | 175.1 | -82.2 | -93.5 | 0 | 0 | 0 | 110.7 | ||
| 87 | P | 27.1 | Very low | 27.8 | Very low | 113 Ų | 113 | 153.9 Ų | 153.9 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 136.5 | 171.8 | -14.9 | 27.8 | 0 | 0 | 0 | 110.9 | ||
| 88 | S | 24.6 | Very low | 28.1 | Very low | 86 Ų | 86 | 152 Ų | 152 | 60% | 0.601 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 137.7 | 174.2 | 57.8 | 0 | 0 | 0 | 0 | 111.6 | T90 | S88-T90 PolarHBondContact O-N 3.2Š|
| 89 | F | 28.9 | Very low | 28.3 | Very low | 178 Ų | 178 | 153.5 Ų | 153.5 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -66.6 | 4.4 | -173.8 | -93.8 | -94.6 | 0 | 0 | 0 | 116.5 | N91 | F89-N91 PolarHBondContact O-N 3.32Å; F89-N91 VanDerWaalsContact O-N 3.17Å |
| 90 | T | 31.7 | Very low | 28.1 | Very low | 119 Ų | 119 | 151.5 Ų | 151.5 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -74.2 | -4.5 | -172.8 | 46.9 | 0 | 0 | 0 | 0 | 115 | S88 | S88-T90 PolarHBondContact O-N 3.2Š|
| 91 | N | 30.2 | Very low | 28.4 | Very low | 148 Ų | 148 | 150.4 Ų | 150.4 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -107.9 | 8 | -175.8 | -72.4 | -25.6 | 0 | 0 | 0 | 115.6 | F89 R93 | F89-N91 PolarHBondContact O-N 3.32Å; F89-N91 VanDerWaalsContact O-N 3.17Å; N91-R93 PolarHBondContact O-N 2.99Å |
| 92 | Y | 26.6 | Very low | 28.4 | Very low | 198 Ų | 198 | 143 Ų | 143 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | -90.3 | 88.4 | 173.5 | -95 | -86.2 | 0 | 0 | 0 | 111.6 | C94 | Y92-C94 PolarHBondContact O-N 3.47Š| ||
| 93 | R | 24.2 | Very low | 28.3 | Very low | 244 Ų | 244 | 143 Ų | 143 | 92% | 0.921 | 75% | 0.747 | S | S | * | * | trans | -75.9 | 99.5 | 155.4 | -108.6 | -174.7 | 179 | -177.8 | 0.5 | 107.5 | N91 | N91-R93 PolarHBondContact O-N 2.99Š| ||
| 94 | C | 28.8 | Very low | 28.7 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 78% | 0.777 | 73% | 0.725 | S | S | * | * | trans | -85.2 | 112.6 | 168.8 | -124.2 | 0 | 0 | 0 | 0 | 108.6 | Y92 | Y92-C94 PolarHBondContact O-N 3.47Š| ||
| 95 | S | 27.6 | Very low | 28.8 | Very low | 98 Ų | 98 | 135.6 Ų | 135.6 | 69% | 0.685 | 72% | 0.718 | S | S | * | * | trans | -64.8 | 139.5 | -179.6 | -17.3 | 0 | 0 | 0 | 0 | 111.8 | A97 | S95-A97 PolarHBondContact O-N 2.71Š| ||
| 96 | E | 28.6 | Very low | 29 | Very low | 208 Ų | 208 | 138.7 Ų | 138.7 | 97% | 0.972 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 31.7 | -175.4 | -63.2 | 177.7 | 145.9 | 0 | 0 | 115.8 | ||
| 97 | A | 31.5 | Very low | 29.1 | Very low | 93 Ų | 93 | 137.9 Ų | 137.9 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | 10.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | S95 | S95-A97 PolarHBondContact O-N 2.71Š|
| 98 | S | 33.3 | Very low | 29.2 | Very low | 88 Ų | 88 | 139 Ų | 139 | 62% | 0.615 | 72% | 0.717 | S | S | * | * | trans | -97.2 | 100.9 | 178.6 | 62.9 | 0 | 0 | 0 | 0 | 111.9 | S100 | S98-S100 PolarHBondContact O-N 3.16Š| ||
| 99 | E | 32.4 | Very low | 29.5 | Very low | 191 Ų | 191 | 142.6 Ų | 142.6 | 89% | 0.893 | 73% | 0.728 | S | S | * | * | trans | -63.5 | 100.5 | 173.4 | -69.7 | -174.3 | 158.6 | 0 | 0 | 112.2 | ||||
| 100 | S | 28.4 | Very low | 29.5 | Very low | 69 Ų | 69 | 139.6 Ų | 139.6 | 48% | 0.483 | 72% | 0.721 | S | S | . | * | trans | 62.2 | 94.7 | 155.2 | 68 | 0 | 0 | 0 | 0 | 119.3 | S98 K143 | S98-S100 PolarHBondContact O-N 3.16Å; S100-K143 PolarHBondContact OG-NZ 3.43Å | ||
| 101 | L | 32.3 | Very low | 29.4 | Very low | 162 Ų | 162 | 141 Ų | 141 | 85% | 0.848 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 141.9 | 155.5 | -77.2 | 149.6 | 0 | 0 | 0 | 110.9 | E103 | L101-E103 PolarHBondContact O-N 3.28Š|
| 102 | C | 28.8 | Very low | 29.7 | Very low | 85 Ų | 85 | 140 Ų | 140 | 57% | 0.574 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 127.9 | 174.6 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | ||
| 103 | E | 28 | Very low | 29.8 | Very low | 132 Ų | 132 | 135 Ų | 135 | 62% | 0.617 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 130.2 | 167.5 | -169.9 | -176 | 154.8 | 0 | 0 | 109 | L101 R105 | L101-E103 PolarHBondContact O-N 3.28Å; E103-R105 IonicContact OE1-CZ 2.84Å; E103-R105 IonicContact OE1-NE 3.28Å; E103-R105 PolarHBondContact OE1-NE 2.83Å; E103-R105 IonicContact OE1-NH2 3.85Å; E103-R105 PolarHBondContact OE1-NH2 3.34Å; E103-R105 VanDerWaalsContact OE1-NH2 3.08Å |
| 104 | V | 30.4 | Very low | 30.4 | Very low | 49 Ų | 49 | 128.9 Ų | 128.9 | 30% | 0.297 | 72% | 0.717 | S | S | . | * | trans | -112.4 | 120 | 174.1 | 177.5 | 0 | 0 | 0 | 0 | 108.3 | F106 F232 | V104-F106 HydrophobicContact CG1-CE1 4.32Å; V104-F106 HydrophobicContact CG1-CE2 4.09Å; V104-F106 HydrophobicContact CG1-CZ 3.94Å; V104-F232 HydrophobicContact CG2-CD1 3.78Å; V104-F232 HydrophobicContact CG2-CE1 4.03Å | ||
| 105 | R | 28.3 | Very low | 30.6 | Very low | 189 Ų | 189 | 129 Ų | 129 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | trans | -102.2 | 134.1 | 171.3 | -67.5 | -173.7 | 177.5 | -168.5 | -1.7 | 109.9 | E103 | E103-R105 IonicContact OE1-CZ 2.84Å; E103-R105 IonicContact OE1-NE 3.28Å; E103-R105 PolarHBondContact OE1-NE 2.83Å; E103-R105 IonicContact OE1-NH2 3.85Å; E103-R105 PolarHBondContact OE1-NH2 3.34Å; E103-R105 VanDerWaalsContact OE1-NH2 3.08Å | ||
| 106 | F | 31.1 | Very low | 30.9 | Very low | 162 Ų | 162 | 130.1 Ų | 130.1 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | trans | -100.8 | 114.2 | 172.3 | -59.1 | -87.4 | 0 | 0 | 0 | 107.8 | V104 | V104-F106 HydrophobicContact CG1-CE1 4.32Å; V104-F106 HydrophobicContact CG1-CE2 4.09Å; V104-F106 HydrophobicContact CG1-CZ 3.94Å | ||
| 107 | E | 27.6 | Very low | 31.3 | Very low | 168 Ų | 168 | 125.6 Ų | 125.6 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | trans | -98 | 111.7 | 168.5 | -73.3 | -179.9 | 178.9 | 0 | 0 | 108.3 | ||||
| 108 | L | 30.4 | Very low | 31.6 | Very low | 138 Ų | 138 | 126.7 Ų | 126.7 | 72% | 0.723 | 72% | 0.72 | S | S | * | * | trans | -81.2 | 116.6 | 164.7 | -161.7 | 78.5 | 0 | 0 | 0 | 106.4 | D110 | L108-D110 PolarHBondContact O-N 2.85Š| ||
| 109 | L | 30.7 | Very low | 31.8 | Very low | 160 Ų | 160 | 129.8 Ų | 129.8 | 84% | 0.838 | 73% | 0.73 | S | S | * | * | trans | -87.5 | 102.4 | 171.2 | -134.1 | 79.3 | 0 | 0 | 0 | 107.2 | ||||
| 110 | D | 29.6 | Very low | 32.2 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 62% | 0.62 | 73% | 0.725 | S | S | * | * | trans | -86.1 | 150 | 166.3 | -71.2 | -34.2 | 0 | 0 | 0 | 109.9 | L108 | L108-D110 PolarHBondContact O-N 2.85Š| ||
| 111 | D | 29.5 | Very low | 32.8 | Very low | 148 Ų | 148 | 131.3 Ų | 131.3 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | trans | 76.6 | 135.8 | 169.6 | -54.8 | -30.3 | 0 | 0 | 0 | 117 | ||||
| 112 | V | 34.7 | Very low | 32.9 | Very low | 127 Ų | 127 | 128.9 Ų | 128.9 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | -144.7 | 124.5 | 60.5 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | S114 | V112-S114 PolarHBondContact O-N 2.92Š| |||
| 113 | A | 30.5 | Very low | 33.2 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | trans | -68.1 | 111.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | S115 | A113-S115 PolarHBondContact O-N 3.3Š| ||
| 114 | S | 36.5 | Very low | 33.6 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -88.2 | 94.2 | 165.6 | -65.4 | 0 | 0 | 0 | 0 | 109 | V112 | V112-S114 PolarHBondContact O-N 2.92Š| ||
| 115 | S | 32.2 | Very low | 33.8 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -69.4 | 123.1 | 166.6 | 48.8 | 0 | 0 | 0 | 0 | 110.9 | A113 | A113-S115 PolarHBondContact O-N 3.3Š| ||
| 116 | S | 34.9 | Very low | 34 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -152.5 | 116.6 | 161.8 | 176.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 117 | S | 35.2 | Very low | 34.3 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -80.8 | 144.9 | -174.7 | 59.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 118 | S | 39.7 | Very low | 34.5 | Very low | 115 Ų | 115 | 127.6 Ų | 127.6 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | -173.3 | 136.8 | 126.6 | 59.5 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 119 | D | 36.6 | Very low | 34.5 | Very low | 154 Ų | 154 | 124.6 Ų | 124.6 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | -61.6 | 156.3 | -170.8 | -55.7 | -70.4 | 0 | 0 | 0 | 116.5 | ||||
| 120 | V | 41.1 | Very low | 34.6 | Very low | 129 Ų | 129 | 122.1 Ų | 122.1 | 78% | 0.782 | 77% | 0.774 | S | S | * | * | 168.1 | 106.6 | 121.7 | 162.8 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 121 | L | 41.3 | Very low | 34.8 | Very low | 162 Ų | 162 | 122.3 Ų | 122.3 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | trans | 72.1 | 151.2 | 144.5 | -64 | 177.8 | 0 | 0 | 0 | 122.9 | ||||
| 122 | P | 34.4 | Very low | 35.1 | Very low | 112 Ų | 112 | 126.5 Ų | 126.5 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -116 | 140.1 | -144.3 | 38.2 | -24.4 | 0 | 0 | 0 | 113.3 | ||||
| 123 | S | 34.9 | Very low | 34.9 | Very low | 112 Ų | 112 | 125.2 Ų | 125.2 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | -175 | 131.9 | 154 | 50.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 124 | C | 35.7 | Very low | 34.8 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | 83.4 | 102.6 | 160 | -59.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 125 | D | 34.5 | Very low | 34.7 | Very low | 153 Ų | 153 | 125.9 Ų | 125.9 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | 8.8 | 143.5 | 151.1 | -68.4 | -43.4 | 0 | 0 | 0 | 121.7 | V127 | D125-V127 PolarHBondContact O-N 2.98Š| ||
| 126 | P | 32.3 | Very low | 34.5 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 69% | 0.688 | 77% | 0.773 | S | S | * | * | trans | -85.6 | 109.4 | -158.2 | 35.3 | -32.7 | 0 | 0 | 0 | 111.5 | V128 | P126-V128 HydrophobicContact CB-CG2 4.04Å; P126-V128 PolarHBondContact O-N 3.49Å | ||
| 127 | V | 37.4 | Very low | 34.3 | Very low | 142 Ų | 142 | 134.6 Ų | 134.6 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | -76.7 | 82.5 | 157.5 | -176 | 0 | 0 | 0 | 0 | 107.2 | D125 A129 | D125-V127 PolarHBondContact O-N 2.98Å; V127-A129 VanDerWaalsContact C-N 3.26Å; V127-A129 PolarHBondContact O-N 3.43Å | ||
| 128 | V | 32.1 | Very low | 34.1 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | trans | -64 | 92.3 | 169.1 | -179 | 0 | 0 | 0 | 0 | 107.3 | P126 | P126-V128 HydrophobicContact CB-CG2 4.04Å; P126-V128 PolarHBondContact O-N 3.49Å | ||
| 129 | A | 31.3 | Very low | 33.5 | Very low | 75 Ų | 75 | 133.5 Ų | 133.5 | 62% | 0.62 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 129.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | V127 | V127-A129 VanDerWaalsContact C-N 3.26Å; V127-A129 PolarHBondContact O-N 3.43Å |
| 130 | P | 32.7 | Very low | 33.3 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 139.4 | 179.8 | 24.6 | -31.7 | 0 | 0 | 0 | 109 | R132 | P130-R132 PolarHBondContact O-N 3.12Å; P130-R132 VanDerWaalsContact O-N 3.1Å |
| 131 | P | 33.1 | Very low | 32.7 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 78% | 0.779 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 122.2 | -176.5 | -18.6 | 28.1 | 0 | 0 | 0 | 109.7 | S133 | P131-S133 PolarHBondContact O-N 3.35Å; P131-S133 VanDerWaalsContact O-N 3.16Å |
| 132 | R | 34.9 | Very low | 32.2 | Very low | 237 Ų | 237 | 121.7 Ų | 121.7 | 89% | 0.894 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 121.8 | 168.2 | -81.9 | 176.5 | 154.9 | 150.1 | -5.2 | 108.1 | P130 T134 | P130-R132 PolarHBondContact O-N 3.12Å; P130-R132 VanDerWaalsContact O-N 3.1Å; R132-T134 PolarHBondContact O-N 3.06Å |
| 133 | S | 32.4 | Very low | 32.2 | Very low | 100 Ų | 100 | 124.1 Ų | 124.1 | 70% | 0.699 | 69% | 0.691 | S | S | * | * | trans | -38.8 | 113.1 | -177 | 57 | 0 | 0 | 0 | 0 | 114.5 | P131 L135 | P131-S133 PolarHBondContact O-N 3.35Å; P131-S133 VanDerWaalsContact O-N 3.16Å; S133-L135 VanDerWaalsContact C-N 3.34Å; S133-L135 PolarHBondContact O-N 2.91Å | ||
| 134 | T | 27.1 | Very low | 32.2 | Very low | 123 Ų | 123 | 127.6 Ų | 127.6 | 76% | 0.755 | 70% | 0.695 | S | S | * | * | trans | -88.1 | 61.7 | 173.5 | 35.8 | 0 | 0 | 0 | 0 | 111.7 | R132 | R132-T134 PolarHBondContact O-N 3.06Š| ||
| 135 | L | 34.5 | Very low | 32.5 | Very low | 100 Ų | 100 | 126.6 Ų | 126.6 | 52% | 0.524 | 69% | 0.688 | S | S | . | * | trans | -117.3 | 76.6 | 166.4 | -72.4 | 172.4 | 0 | 0 | 0 | 108.3 | S133 F138 | S133-L135 VanDerWaalsContact C-N 3.34Å; S133-L135 PolarHBondContact O-N 2.91Å; L135-F138 HydrophobicContact CB-CE2 4.03Å; L135-F138 HydrophobicContact CB-CZ 4.11Å; L135-F138 HydrophobicContact CD1-CZ 4.03Å; L135-F138 HydrophobicContact CD2-CE1 4.37Å; L135-F138 HydrophobicContact CD2-CE2 4.49Å; L135-F138 HydrophobicContact CD2-CZ 3.75Å; L135-F138 HydrophobicContact CG-CZ 4.17Å | ||
| 136 | R | 27.7 | Very low | 33 | Very low | 242 Ų | 242 | 122 Ų | 122 | 91% | 0.913 | 67% | 0.668 | S | S | * | * | trans | -100.6 | 2.3 | -172.4 | -81.7 | -170.2 | 172.4 | -168.4 | -2.1 | 115.8 | ||||
| 137 | K | 30.7 | Very low | 34 | Very low | 179 Ų | 179 | 120.4 Ų | 120.4 | 78% | 0.778 | 66% | 0.659 | S | S | * | * | trans | -163.1 | 118.2 | 169.6 | -136.7 | 169.2 | 179.2 | 176.6 | 0 | 112.4 | V139 | K137-V139 HydrophobicContact CG-CG2 4.49Š| ||
| 138 | F | 31.4 | Very low | 35.1 | Very low | 104 Ų | 104 | 117.5 Ų | 117.5 | 46% | 0.456 | 64% | 0.639 | S | S | . | * | trans | -106.5 | 119.2 | 162.4 | -63 | -84 | 0 | 0 | 0 | 107 | L135 I242 | L135-F138 HydrophobicContact CB-CE2 4.03Å; L135-F138 HydrophobicContact CB-CZ 4.11Å; L135-F138 HydrophobicContact CD1-CZ 4.03Å; L135-F138 HydrophobicContact CD2-CE1 4.37Å; L135-F138 HydrophobicContact CD2-CE2 4.49Å; L135-F138 HydrophobicContact CD2-CZ 3.75Å; L135-F138 HydrophobicContact CG-CZ 4.17Å; F138-I242 HydrophobicContact CD2-CD1 4.25Å | ||
| 139 | V | 28.2 | Very low | 36.8 | Very low | 102 Ų | 102 | 116 Ų | 116 | 62% | 0.618 | 62% | 0.624 | S | S | * | * | trans | -102.2 | 100.8 | 169.3 | -179.8 | 0 | 0 | 0 | 0 | 106.2 | K137 T141 | K137-V139 HydrophobicContact CG-CG2 4.49Å; V139-T141 HydrophobicContact CG1-CG2 4.21Å | ||
| 140 | V | 31.3 | Very low | 38.6 | Very low | 53 Ų | 53 | 115.9 Ų | 115.9 | 32% | 0.321 | 61% | 0.612 | S | S | . | * | trans | -99.6 | 106 | 174.4 | -173.7 | 0 | 0 | 0 | 0 | 107.9 | G142 A236 | V140-G142 PolarHBondContact O-N 3.24Å; V140-A236 HydrophobicContact CB-CB 4.43Å; V140-A236 HydrophobicContact CG1-CB 3.47Å; V140-A236 VanDerWaalsContact CG1-CB 3.47Å | ||
| 141 | T | 28.5 | Very low | 40.7 | Very low | 108 Ų | 108 | 111.1 Ų | 111.1 | 66% | 0.663 | 58% | 0.58 | S | S | * | * | trans | -90.6 | 78.5 | 172.7 | 47.2 | 0 | 0 | 0 | 0 | 109.5 | V139 | V139-T141 HydrophobicContact CG1-CG2 4.21Š| ||
| 142 | G | 32.1 | Very low | 42.9 | Very low | 35 Ų | 35 | 108.4 Ų | 108.4 | 36% | 0.361 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -82.1 | 127.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111 | V140 Q144 | V140-G142 PolarHBondContact O-N 3.24Å; G142-Q144 PolarHBondContact O-N 2.86Å |
| 143 | K | 33.8 | Very low | 44.5 | Very low | 163 Ų | 163 | 100.6 Ų | 100.6 | 71% | 0.709 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 127 | 165 | -78.6 | -175.8 | -179.3 | 177.6 | 0 | 108.3 | S100 C145 | S100-K143 PolarHBondContact OG-NZ 3.43Å; K143-C145 PolarHBondContact O-N 2.76Å |
| 144 | Q | 34.6 | Very low | 46.6 | Very low | 186 Ų | 186 | 99.7 Ų | 99.7 | 87% | 0.869 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 119.8 | 178.5 | -153.2 | 178.7 | 14.7 | 0 | 0 | 109 | G142 S146 | G142-Q144 PolarHBondContact O-N 2.86Å; Q144-S146 PolarHBondContact O-N 2.93Å; Q144-S146 VanDerWaalsContact O-N 3.08Å |
| 145 | C | 41.6 | Very low | 49 | Very low | 103 Ų | 103 | 102.7 Ų | 102.7 | 70% | 0.696 | 52% | 0.516 | S | S | * | . | trans | -61.6 | 114.1 | 163.1 | -77.1 | 0 | 0 | 0 | 0 | 106.6 | K143 S147 | K143-C145 PolarHBondContact O-N 2.76Å; C145-S147 PolarHBondContact O-N 3.09Å | ||
| 146 | S | 46.2 | Very low | 51.4 | Low | 57 Ų | 57 | 98 Ų | 98 | 40% | 0.399 | 49% | 0.492 | S | S | . | . | trans | -50.9 | 135.3 | 173.3 | 51.5 | 0 | 0 | 0 | 0 | 109.6 | Q144 N148 Q149 | Q144-S146 PolarHBondContact O-N 2.93Å; Q144-S146 VanDerWaalsContact O-N 3.08Å; S146-N148 PolarHBondContact O-N 2.95Å; S146-Q149 PolarHBondContact O-N 3.39Å | ||
| 147 | S | 53 | Low | 54 | Low | 72 Ų | 72 | 88.8 Ų | 88.8 | 50% | 0.503 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -39.9 | -38.5 | 178.5 | -170.9 | 0 | 0 | 0 | 0 | 112.9 | C145 Q149 L150 | C145-S147 PolarHBondContact O-N 3.09Å; S147-Q149 PolarHBondContact O-N 3.05Å; S147-L150 WeakPolarHBondContact O-CB 3.28Å; S147-L150 WeakPolarHBondContact O-CG 3.47Å; S147-L150 PolarHBondContact O-N 2.96Å; S147-L150 VanDerWaalsContact O-N 3.1Å |
| 148 | N | 59.5 | Low | 56.5 | Low | 81 Ų | 81 | 83.2 Ų | 83.2 | 43% | 0.433 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -61.2 | -2.9 | -179 | -50.8 | 10.6 | 0 | 0 | 0 | 115.6 | S146 W151 H166 | S146-N148 PolarHBondContact O-N 2.95Å; N148-W151 VanDerWaalsContact O-CD1 3.28Å; N148-W151 PolarHBondContact O-NE1 3.09Å; N148-H166 WeakPolarHBondContact O-CB 3.41Å |
| 149 | Q | 68.3 | Low | 59.2 | Low | 87 Ų | 87 | 78.5 Ų | 78.5 | 41% | 0.407 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -119.6 | 4.3 | 177.8 | -60 | -163.6 | 28 | 0 | 0 | 114.1 | S146 S147 W151 K152 | S146-Q149 PolarHBondContact O-N 3.39Å; S147-Q149 PolarHBondContact O-N 3.05Å; Q149-W151 PolarHBondContact O-N 3.07Å; Q149-K152 HydrophobicContact CB-CD 4.4Å; Q149-K152 WeakPolarHBondContact O-CB 3.24Å; Q149-K152 PolarHBondContact O-N 3.42Å |
| 150 | L | 69 | Low | 61.9 | Low | 73 Ų | 73 | 75.9 Ų | 75.9 | 38% | 0.382 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -61.2 | -31.2 | -178.6 | -71.5 | 171.2 | 0 | 0 | 0 | 112.7 | S147 K152 T153 | S147-L150 WeakPolarHBondContact O-CB 3.28Å; S147-L150 WeakPolarHBondContact O-CG 3.47Å; S147-L150 PolarHBondContact O-N 2.96Å; S147-L150 VanDerWaalsContact O-N 3.1Å; L150-K152 PolarHBondContact O-N 3.47Å; L150-K152 VanDerWaalsContact O-N 3.15Å; L150-T153 PolarHBondContact O-N 2.96Å; L150-T153 PolarHBondContact O-OG1 2.84Å |
| 151 | W | 77.6 | Confident | 64.4 | Low | 8 Ų | 8 | 76.7 Ų | 76.7 | 3% | 0.03 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -54 | -32.4 | 176.2 | 61.1 | -98.5 | 0 | 0 | 0 | 113.4 | N148 Q149 T153 K154 W159 D163 W167 H170 | N148-W151 VanDerWaalsContact O-CD1 3.28Å; N148-W151 PolarHBondContact O-NE1 3.09Å; Q149-W151 PolarHBondContact O-N 3.07Å; W151-T153 PolarHBondContact O-N 3.26Å; W151-K154 PolarHBondContact O-N 3.44Å; W151-W159 HydrophobicContact CB-CD2 4.45Å; W151-W159 HydrophobicContact CB-CZ2 4.3Å; W151-W159 HydrophobicContact CD2-CH2 4.42Å; W151-W159 HydrophobicContact CD2-CZ2 4.45Å; W151-W159 AromaticContact CE3-CH2 3.51Å; W151-W159 HydrophobicContact CE3-CH2 3.51Å; W151-W159 AromaticContact CE3-CZ2 3.55Å; W151-W159 HydrophobicContact CE3-CZ2 3.55Å; W151-W159 HydrophobicContact CE3-CZ3 4.44Å; W151-W159 AromaticContact CZ3-CH2 3.99Å; W151-W159 HydrophobicContact CZ3-CH2 3.99Å; W151-W159 HydrophobicContact CZ3-CZ2 4.29Å; W151-W159 PolarHBondContact O-NE1 3.5Å; W151-W159 VanDerWaalsContact O-NE1 3.1Å; W151-D163 HydrophobicContact CB-CB 3.66Å; W151-W167 HydrophobicContact CD2-CB 4.12Å; W151-W167 HydrophobicContact CE3-CB 4.13Å; W151-W167 HydrophobicContact CE3-CG 4.47Å; W151-W167 HydrophobicContact CH2-CB 4.42Å; W151-W167 AromaticContact CH2-CD1 3.7Å; W151-W167 HydrophobicContact CH2-CG 4.47Å; W151-W167 HydrophobicContact CZ2-CB 4.42Å; W151-W167 HydrophobicContact CZ3-CB 4.28Å; W151-W167 AromaticContact CZ3-CD1 3.52Å; W151-W167 HydrophobicContact CZ3-CG 4.25Å; W151-H170 HydrophobicContact CH2-CB 4.06Å; W151-H170 AromaticContact CH2-CG 3.77Å; W151-H170 AromaticContact CH2-ND1 3.94Å; W151-H170 HydrophobicContact CZ2-CB 3.57Å; W151-H170 AromaticContact CZ2-CD2 3.84Å; W151-H170 AromaticContact CZ2-CG 3.64Å |
| 152 | K | 78.4 | Confident | 66.9 | Low | 63 Ų | 63 | 77.1 Ų | 77.1 | 27% | 0.274 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -60.1 | -22.1 | 177.2 | -66.7 | -178.8 | 179.3 | 175.5 | 0 | 113.3 | Q149 L150 R223 | Q149-K152 HydrophobicContact CB-CD 4.4Å; Q149-K152 WeakPolarHBondContact O-CB 3.24Å; Q149-K152 PolarHBondContact O-N 3.42Å; L150-K152 PolarHBondContact O-N 3.47Å; L150-K152 VanDerWaalsContact O-N 3.15Å; K152-R223 PolarHBondContact O-NH2 3.08Å |
| 153 | T | 69.3 | Low | 69.5 | Low | 74 Ų | 74 | 75.9 Ų | 75.9 | 45% | 0.454 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -26 | -177.4 | 67.9 | 0 | 0 | 0 | 0 | 113.6 | L150 W151 R223 | L150-T153 PolarHBondContact O-N 2.96Å; L150-T153 PolarHBondContact O-OG1 2.84Å; W151-T153 PolarHBondContact O-N 3.26Å; T153-R223 PolarHBondContact O-NH1 3.43Å |
| 154 | K | 75.7 | Confident | 71.9 | Confident | 81 Ų | 81 | 68.3 Ų | 68.3 | 35% | 0.352 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -76.1 | 158 | -178.4 | -65.1 | 176.2 | -178.9 | 168.4 | 0 | 111.8 | W151 D163 | W151-K154 PolarHBondContact O-N 3.44Å; K154-D163 IonicContact NZ-OD1 3.9Å; K154-D163 PolarHBondContact NZ-OD1 2.69Å; K154-D163 IonicContact NZ-OD2 3.27Å; K154-D163 PolarHBondContact NZ-OD2 2.86Å |
| 155 | R | 78.4 | Confident | 74.1 | Confident | 185 Ų | 185 | 64.8 Ų | 64.8 | 70% | 0.698 | 35% | 0.352 | S | S | * | . | trans | -72.4 | 147.8 | 166.9 | -70 | -173.6 | 176.5 | -179.1 | 0.3 | 109 | S157 A158 | R155-S157 VanDerWaalsContact C-N 3.33Å; R155-S157 PolarHBondContact O-N 3.31Å; R155-A158 HydrophobicContact CB-CB 4.49Å; R155-A158 WeakPolarHBondContact O-CA 3.39Å; R155-A158 WeakPolarHBondContact O-CB 3.3Å; R155-A158 PolarHBondContact O-N 3.44Å | ||
| 156 | L | 83.7 | Confident | 76.1 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -54.7 | -48.2 | -179.4 | -175 | 57.8 | 0 | 0 | 0 | 111.4 | A158 W159 G184 L187 E188 V216 R217 | L156-A158 PolarHBondContact O-N 3.43Å; L156-W159 HydrophobicContact CD1-CD2 3.77Å; L156-W159 HydrophobicContact CD1-CE3 3.64Å; L156-W159 HydrophobicContact CD1-CG 4.36Å; L156-W159 HydrophobicContact CD1-CH2 4.25Å; L156-W159 HydrophobicContact CD1-CZ2 4.35Å; L156-W159 HydrophobicContact CD1-CZ3 3.89Å; L156-W159 WeakPolarHBondContact O-CB 3.42Å; L156-W159 PolarHBondContact O-N 3.14Å; L156-G184 CarbonylContact O-C 3.59Å; L156-G184 WeakPolarHBondContact O-CA 3.42Å; L156-L187 HydrophobicContact CD1-CB 4.01Å; L156-L187 HydrophobicContact CD1-CD2 4.11Å; L156-L187 HydrophobicContact CD2-CB 4.38Å; L156-L187 HydrophobicContact CG-CB 4.37Å; L156-E188 HydrophobicContact CB-CG 4.47Å; L156-E188 HydrophobicContact CD2-CG 3.73Å; L156-E188 HydrophobicContact CG-CG 4.04Å; L156-V216 HydrophobicContact CB-CG1 4.29Å; L156-V216 HydrophobicContact CD1-CG1 4.07Å; L156-R217 HydrophobicContact CD2-CG 3.76Å |
| 157 | S | 82.9 | Confident | 78 | Confident | 48 Ų | 48 | 58.1 Ų | 58.1 | 34% | 0.336 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -56.8 | -15.4 | 173.2 | 53 | 0 | 0 | 0 | 0 | 116.8 | R155 E188 | R155-S157 VanDerWaalsContact C-N 3.33Å; R155-S157 PolarHBondContact O-N 3.31Å; S157-E188 WeakPolarHBondContact CB-OE1 3.45Å; S157-E188 PolarHBondContact N-OE1 2.96Å |
| 158 | A | 83.7 | Confident | 79.5 | Confident | 62 Ų | 62 | 55.2 Ų | 55.2 | 51% | 0.512 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -103.6 | 8.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R155 L156 | R155-A158 HydrophobicContact CB-CB 4.49Å; R155-A158 WeakPolarHBondContact O-CA 3.39Å; R155-A158 WeakPolarHBondContact O-CB 3.3Å; R155-A158 PolarHBondContact O-N 3.44Å; L156-A158 PolarHBondContact O-N 3.43Å |
| 159 | W | 87.6 | Confident | 80.6 | Confident | 5 Ų | 5 | 55.5 Ų | 55.5 | 2% | 0.019 | 28% | 0.281 | C | S | . | . | trans | -75.7 | 129.1 | 176.3 | -71.4 | 13.1 | 0 | 0 | 0 | 110.7 | W151 L156 D163 I164 W167 G184 L187 V216 | W151-W159 HydrophobicContact CB-CD2 4.45Å; W151-W159 HydrophobicContact CB-CZ2 4.3Å; W151-W159 HydrophobicContact CD2-CH2 4.42Å; W151-W159 HydrophobicContact CD2-CZ2 4.45Å; W151-W159 AromaticContact CE3-CH2 3.51Å; W151-W159 HydrophobicContact CE3-CH2 3.51Å; W151-W159 AromaticContact CE3-CZ2 3.55Å; W151-W159 HydrophobicContact CE3-CZ2 3.55Å; W151-W159 HydrophobicContact CE3-CZ3 4.44Å; W151-W159 AromaticContact CZ3-CH2 3.99Å; W151-W159 HydrophobicContact CZ3-CH2 3.99Å; W151-W159 HydrophobicContact CZ3-CZ2 4.29Å; W151-W159 PolarHBondContact O-NE1 3.5Å; W151-W159 VanDerWaalsContact O-NE1 3.1Å; L156-W159 HydrophobicContact CD1-CD2 3.77Å; L156-W159 HydrophobicContact CD1-CE3 3.64Å; L156-W159 HydrophobicContact CD1-CG 4.36Å; L156-W159 HydrophobicContact CD1-CH2 4.25Å; L156-W159 HydrophobicContact CD1-CZ2 4.35Å; L156-W159 HydrophobicContact CD1-CZ3 3.89Å; L156-W159 WeakPolarHBondContact O-CB 3.42Å; L156-W159 PolarHBondContact O-N 3.14Å; W159-D163 HydrophobicContact CB-CB 3.85Å; W159-D163 HydrophobicContact CD2-CB 4.39Å; W159-D163 HydrophobicContact CG-CB 4.01Å; W159-I164 HydrophobicContact CB-CG1 4.27Å; W159-I164 HydrophobicContact CE3-CG1 4.02Å; W159-W167 HydrophobicContact CE3-CB 4.45Å; W159-W167 HydrophobicContact CH2-CB 3.96Å; W159-W167 AromaticContact CH2-CD1 3.84Å; W159-W167 HydrophobicContact CH2-CD2 4.3Å; W159-W167 AromaticContact CH2-CG 3.73Å; W159-W167 HydrophobicContact CH2-CG 3.73Å; W159-W167 HydrophobicContact CZ3-CB 3.58Å; W159-W167 AromaticContact CZ3-CD2 3.8Å; W159-W167 HydrophobicContact CZ3-CD2 3.8Å; W159-W167 HydrophobicContact CZ3-CE3 4.21Å; W159-W167 AromaticContact CZ3-CG 3.49Å; W159-W167 HydrophobicContact CZ3-CG 3.49Å; W159-W167 VanDerWaalsContact CZ3-CG 3.49Å; W159-G184 PolarHBondContact O-N 3.14Å; W159-L187 HydrophobicContact CE3-CD2 4.22Å; W159-L187 HydrophobicContact CZ3-CD2 4.32Å; W159-V216 HydrophobicContact CH2-CB 4.46Å; W159-V216 HydrophobicContact CH2-CG1 3.76Å; W159-V216 HydrophobicContact CH2-CG2 3.95Å; W159-V216 HydrophobicContact CZ2-CG1 3.59Å; W159-V216 HydrophobicContact CZ2-CG2 4.36Å | ||
| 160 | S | 85 | Confident | 81.2 | Confident | 48 Ų | 48 | 56 Ų | 56 | 34% | 0.336 | 28% | 0.284 | S | S | . | . | trans | -77 | 168.4 | 166.5 | 61.1 | 0 | 0 | 0 | 0 | 111.2 | E162 D163 I164 | S160-E162 PolarHBondContact O-N 3.33Å; S160-D163 PolarHBondContact N-OD2 3.34Å; S160-D163 WeakPolarHBondContact O-CB 3.49Å; S160-D163 PolarHBondContact O-N 3.34Å; S160-D163 VanDerWaalsContact O-N 3.11Å; S160-D163 VanDerWaalsContact OG-CG 3.26Å; S160-D163 PolarHBondContact OG-N 2.75Å; S160-D163 PolarHBondContact OG-OD2 2.88Å; S160-I164 WeakPolarHBondContact O-CG1 3.28Å; S160-I164 PolarHBondContact O-N 3.08Å | ||
| 161 | S | 82.7 | Confident | 81.8 | Confident | 70 Ų | 70 | 53.3 Ų | 53.3 | 49% | 0.49 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -56.2 | -36.5 | 172 | 51.2 | 0 | 0 | 0 | 0 | 112.2 | I164 Y165 | S161-I164 PolarHBondContact O-N 3.38Å; S161-Y165 WeakPolarHBondContact O-CB 3.26Å; S161-Y165 PolarHBondContact O-N 2.93Å |
| 162 | E | 82.9 | Confident | 81.7 | Confident | 117 Ų | 117 | 59.8 Ų | 59.8 | 55% | 0.547 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.8 | -40.8 | 174.9 | -172.7 | 176.7 | -163.3 | 0 | 0 | 112.4 | S160 I164 Y165 H166 | S160-E162 PolarHBondContact O-N 3.33Å; E162-I164 VanDerWaalsContact C-N 3.29Å; E162-I164 PolarHBondContact O-N 3.04Å; E162-Y165 PolarHBondContact O-N 2.84Å; E162-H166 PolarHBondContact O-CD2 3.35Å; E162-H166 VanDerWaalsContact O-CD2 3.22Å; E162-H166 PolarHBondContact O-N 3.36Å; E162-H166 IonicContact OE1-NE2 3.9Å |
| 163 | D | 84.7 | Confident | 81.4 | Confident | 8 Ų | 8 | 58.4 Ų | 58.4 | 4% | 0.043 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.2 | -39.4 | 174.3 | -69 | -60.4 | 0 | 0 | 0 | 111.2 | W151 K154 W159 S160 W167 | W151-D163 HydrophobicContact CB-CB 3.66Å; K154-D163 IonicContact NZ-OD1 3.9Å; K154-D163 PolarHBondContact NZ-OD1 2.69Å; K154-D163 IonicContact NZ-OD2 3.27Å; K154-D163 PolarHBondContact NZ-OD2 2.86Å; W159-D163 HydrophobicContact CB-CB 3.85Å; W159-D163 HydrophobicContact CD2-CB 4.39Å; W159-D163 HydrophobicContact CG-CB 4.01Å; S160-D163 PolarHBondContact N-OD2 3.34Å; S160-D163 WeakPolarHBondContact O-CB 3.49Å; S160-D163 PolarHBondContact O-N 3.34Å; S160-D163 VanDerWaalsContact O-N 3.11Å; S160-D163 VanDerWaalsContact OG-CG 3.26Å; S160-D163 PolarHBondContact OG-N 2.75Å; S160-D163 PolarHBondContact OG-OD2 2.88Å; D163-W167 WeakPolarHBondContact O-CB 3.49Å; D163-W167 PolarHBondContact O-N 2.99Å |
| 164 | I | 84.4 | Confident | 81.1 | Confident | 5 Ų | 5 | 62.1 Ų | 62.1 | 3% | 0.026 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68 | -44 | 177.2 | -66.6 | 159.9 | 0 | 0 | 0 | 110.7 | W159 S160 S161 E162 H166 W167 L168 F182 L187 | W159-I164 HydrophobicContact CB-CG1 4.27Å; W159-I164 HydrophobicContact CE3-CG1 4.02Å; S160-I164 WeakPolarHBondContact O-CG1 3.28Å; S160-I164 PolarHBondContact O-N 3.08Å; S161-I164 PolarHBondContact O-N 3.38Å; E162-I164 VanDerWaalsContact C-N 3.29Å; E162-I164 PolarHBondContact O-N 3.04Å; I164-H166 VanDerWaalsContact C-N 3.34Å; I164-H166 PolarHBondContact O-N 3.44Å; I164-W167 HydrophobicContact CG2-CE3 4.43Å; I164-W167 WeakPolarHBondContact O-CB 3.42Å; I164-W167 PolarHBondContact O-N 3.5Å; I164-W167 VanDerWaalsContact O-N 3.14Å; I164-L168 HydrophobicContact CG2-CD1 4.06Å; I164-L168 HydrophobicContact CG2-CG 4.41Å; I164-L168 WeakPolarHBondContact O-CG 3.46Å; I164-L168 PolarHBondContact O-N 3.49Å; I164-F182 HydrophobicContact CD1-CB 3.96Å; I164-F182 WeakPolarHBondContact CD1-O 3.48Å; I164-L187 HydrophobicContact CD1-CD1 3.53Å; I164-L187 HydrophobicContact CD1-CD2 4.31Å; I164-L187 HydrophobicContact CG1-CD1 4.01Å; I164-L187 HydrophobicContact CG1-CD2 3.86Å; I164-L187 HydrophobicContact CG2-CD1 4.36Å; I164-L187 HydrophobicContact CG2-CD2 4.21Å |
| 165 | Y | 82.2 | Confident | 80.1 | Confident | 112 Ų | 112 | 60.1 Ų | 60.1 | 44% | 0.439 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.2 | -46.6 | 175.9 | -178.6 | -95 | 0 | 0 | 0 | 111.5 | S161 E162 W167 L168 Q169 A175 | S161-Y165 WeakPolarHBondContact O-CB 3.26Å; S161-Y165 PolarHBondContact O-N 2.93Å; E162-Y165 PolarHBondContact O-N 2.84Å; Y165-W167 VanDerWaalsContact C-N 3.32Å; Y165-W167 PolarHBondContact O-N 3.35Å; Y165-L168 PolarHBondContact O-N 3.36Å; Y165-Q169 HydrophobicContact CD1-CG 4.33Å; Y165-Q169 HydrophobicContact CE1-CG 4.02Å; Y165-Q169 WeakPolarHBondContact O-CG 3.32Å; Y165-Q169 PolarHBondContact O-N 3.05Å; Y165-Q169 PolarHBondContact OH-NE2 3.4Å; Y165-A175 HydrophobicContact CD2-CB 3.54Å; Y165-A175 HydrophobicContact CE2-CB 3.15Å |
| 166 | H | 82.7 | Confident | 79 | Confident | 19 Ų | 19 | 56 Ų | 56 | 9% | 0.088 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.1 | -33 | 175.4 | -73 | -45.1 | 0 | 0 | 0 | 113.5 | N148 E162 I164 Q169 H170 | N148-H166 WeakPolarHBondContact O-CB 3.41Å; E162-H166 PolarHBondContact O-CD2 3.35Å; E162-H166 VanDerWaalsContact O-CD2 3.22Å; E162-H166 PolarHBondContact O-N 3.36Å; E162-H166 IonicContact OE1-NE2 3.9Å; I164-H166 VanDerWaalsContact C-N 3.34Å; I164-H166 PolarHBondContact O-N 3.44Å; H166-Q169 PolarHBondContact ND1-OE1 2.85Å; H166-H170 WeakPolarHBondContact O-CB 3.28Å; H166-H170 PolarHBondContact O-N 3.22Å |
| 167 | W | 87.1 | Confident | 78 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.5 | -45.7 | 171.4 | 170.3 | 66 | 0 | 0 | 0 | 111.3 | W151 W159 D163 I164 Y165 Q169 H170 V171 L187 W190 L209 E212 L213 | W151-W167 HydrophobicContact CD2-CB 4.12Å; W151-W167 HydrophobicContact CE3-CB 4.13Å; W151-W167 HydrophobicContact CE3-CG 4.47Å; W151-W167 HydrophobicContact CH2-CB 4.42Å; W151-W167 AromaticContact CH2-CD1 3.7Å; W151-W167 HydrophobicContact CH2-CG 4.47Å; W151-W167 HydrophobicContact CZ2-CB 4.42Å; W151-W167 HydrophobicContact CZ3-CB 4.28Å; W151-W167 AromaticContact CZ3-CD1 3.52Å; W151-W167 HydrophobicContact CZ3-CG 4.25Å; W159-W167 HydrophobicContact CE3-CB 4.45Å; W159-W167 HydrophobicContact CH2-CB 3.96Å; W159-W167 AromaticContact CH2-CD1 3.84Å; W159-W167 HydrophobicContact CH2-CD2 4.3Å; W159-W167 AromaticContact CH2-CG 3.73Å; W159-W167 HydrophobicContact CH2-CG 3.73Å; W159-W167 HydrophobicContact CZ3-CB 3.58Å; W159-W167 AromaticContact CZ3-CD2 3.8Å; W159-W167 HydrophobicContact CZ3-CD2 3.8Å; W159-W167 HydrophobicContact CZ3-CE3 4.21Å; W159-W167 AromaticContact CZ3-CG 3.49Å; W159-W167 HydrophobicContact CZ3-CG 3.49Å; W159-W167 VanDerWaalsContact CZ3-CG 3.49Å; D163-W167 WeakPolarHBondContact O-CB 3.49Å; D163-W167 PolarHBondContact O-N 2.99Å; I164-W167 HydrophobicContact CG2-CE3 4.43Å; I164-W167 WeakPolarHBondContact O-CB 3.42Å; I164-W167 PolarHBondContact O-N 3.5Å; I164-W167 VanDerWaalsContact O-N 3.14Å; Y165-W167 VanDerWaalsContact C-N 3.32Å; Y165-W167 PolarHBondContact O-N 3.35Å; W167-Q169 VanDerWaalsContact C-N 3.34Å; W167-Q169 PolarHBondContact O-N 2.78Å; W167-H170 WeakPolarHBondContact O-CA 3.47Å; W167-H170 WeakPolarHBondContact O-CB 3.28Å; W167-H170 PolarHBondContact O-N 2.87Å; W167-V171 HydrophobicContact CD2-CG2 4.37Å; W167-V171 HydrophobicContact CZ2-CG2 4.17Å; W167-V171 VanDerWaalsContact O-CG2 3.28Å; W167-V171 WeakPolarHBondContact O-CG2 3.36Å; W167-V171 PolarHBondContact O-N 3.24Å; W167-L187 HydrophobicContact CE3-CD2 4.01Å; W167-L187 HydrophobicContact CZ3-CD2 3.85Å; W167-W190 HydrophobicContact CZ3-CZ3 4.28Å; W167-L209 HydrophobicContact CH2-CD2 3.66Å; W167-L209 HydrophobicContact CZ2-CD2 4.33Å; W167-L209 HydrophobicContact CZ3-CD2 4.2Å; W167-E212 HydrophobicContact CZ2-CB 4.05Å; W167-L213 HydrophobicContact CH2-CD1 4.09Å; W167-L213 HydrophobicContact CH2-CD2 3.47Å; W167-L213 VanDerWaalsContact CH2-CD2 3.47Å; W167-L213 HydrophobicContact CH2-CG 3.48Å; W167-L213 VanDerWaalsContact CH2-CG 3.48Å; W167-L213 HydrophobicContact CZ2-CD2 3.71Å; W167-L213 HydrophobicContact CZ2-CG 3.69Å; W167-L213 HydrophobicContact CZ3-CD2 4.09Å; W167-L213 HydrophobicContact CZ3-CG 4.5Å |
| 168 | L | 84.9 | Confident | 76.7 | Confident | 11 Ų | 11 | 59.1 Ų | 59.1 | 6% | 0.058 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 176.7 | -69.6 | 168 | 0 | 0 | 0 | 112.2 | I164 Y165 H170 V171 N172 L173 L177 L209 | I164-L168 HydrophobicContact CG2-CD1 4.06Å; I164-L168 HydrophobicContact CG2-CG 4.41Å; I164-L168 WeakPolarHBondContact O-CG 3.46Å; I164-L168 PolarHBondContact O-N 3.49Å; Y165-L168 PolarHBondContact O-N 3.36Å; L168-H170 VanDerWaalsContact C-N 3.29Å; L168-H170 PolarHBondContact O-N 3.33Å; L168-V171 CarbonylContact O-C 3.47Å; L168-V171 PolarHBondContact O-N 3.1Å; L168-V171 VanDerWaalsContact O-N 3.09Å; L168-N172 PolarHBondContact O-N 3.17Å; L168-L173 HydrophobicContact CD2-CD1 4.49Å; L168-L173 PolarHBondContact O-N 2.96Å; L168-L173 VanDerWaalsContact O-N 3.1Å; L168-L177 HydrophobicContact CD1-CD1 3.72Å; L168-L177 HydrophobicContact CD1-CG 4.41Å; L168-L177 HydrophobicContact CD2-CD1 4.02Å; L168-L209 HydrophobicContact CD2-CD2 3.9Å |
| 169 | Q | 82.1 | Confident | 75.3 | Confident | 87 Ų | 87 | 60.2 Ų | 60.2 | 41% | 0.407 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.7 | -40.6 | 172.3 | -74.1 | -174.3 | -30.9 | 0 | 0 | 112.1 | Y165 H166 W167 V171 N172 | Y165-Q169 HydrophobicContact CD1-CG 4.33Å; Y165-Q169 HydrophobicContact CE1-CG 4.02Å; Y165-Q169 WeakPolarHBondContact O-CG 3.32Å; Y165-Q169 PolarHBondContact O-N 3.05Å; Y165-Q169 PolarHBondContact OH-NE2 3.4Å; H166-Q169 PolarHBondContact ND1-OE1 2.85Å; W167-Q169 VanDerWaalsContact C-N 3.34Å; W167-Q169 PolarHBondContact O-N 2.78Å; Q169-V171 VanDerWaalsContact C-N 3.29Å; Q169-V171 PolarHBondContact O-N 3.07Å; Q169-N172 WeakPolarHBondContact O-CA 3.21Å; Q169-N172 PolarHBondContact O-N 3.25Å |
| 170 | H | 81.2 | Confident | 73.9 | Confident | 98 Ų | 98 | 62.6 Ų | 62.6 | 45% | 0.454 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.1 | -31.9 | 176.2 | 175 | -77 | 0 | 0 | 0 | 112.7 | W151 H166 W167 L168 N172 | W151-H170 HydrophobicContact CH2-CB 4.06Å; W151-H170 AromaticContact CH2-CG 3.77Å; W151-H170 AromaticContact CH2-ND1 3.94Å; W151-H170 HydrophobicContact CZ2-CB 3.57Å; W151-H170 AromaticContact CZ2-CD2 3.84Å; W151-H170 AromaticContact CZ2-CG 3.64Å; H166-H170 WeakPolarHBondContact O-CB 3.28Å; H166-H170 PolarHBondContact O-N 3.22Å; W167-H170 WeakPolarHBondContact O-CA 3.47Å; W167-H170 WeakPolarHBondContact O-CB 3.28Å; W167-H170 PolarHBondContact O-N 2.87Å; L168-H170 VanDerWaalsContact C-N 3.29Å; L168-H170 PolarHBondContact O-N 3.33Å; H170-N172 PolarHBondContact O-N 2.91Å |
| 171 | V | 80.7 | Confident | 73.2 | Confident | 16 Ų | 16 | 68.7 Ų | 68.7 | 10% | 0.097 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -2.3 | 174.1 | -176.8 | 0 | 0 | 0 | 0 | 111.3 | W167 L168 Q169 L173 L208 L209 E212 | W167-V171 HydrophobicContact CD2-CG2 4.37Å; W167-V171 HydrophobicContact CZ2-CG2 4.17Å; W167-V171 VanDerWaalsContact O-CG2 3.28Å; W167-V171 WeakPolarHBondContact O-CG2 3.36Å; W167-V171 PolarHBondContact O-N 3.24Å; L168-V171 CarbonylContact O-C 3.47Å; L168-V171 PolarHBondContact O-N 3.1Å; L168-V171 VanDerWaalsContact O-N 3.09Å; Q169-V171 VanDerWaalsContact C-N 3.29Å; Q169-V171 PolarHBondContact O-N 3.07Å; V171-L173 HydrophobicContact CB-CD1 4.31Å; V171-L173 HydrophobicContact CB-CG 4.47Å; V171-L173 HydrophobicContact CG1-CD1 3.63Å; V171-L173 HydrophobicContact CG1-CG 3.99Å; V171-L173 PolarHBondContact O-N 2.92Å; V171-L208 HydrophobicContact CG1-CD2 3.11Å; V171-L209 HydrophobicContact CG1-CD2 4.42Å; V171-E212 HydrophobicContact CG1-CG 4.41Å; V171-E212 HydrophobicContact CG2-CB 4.17Å; V171-E212 HydrophobicContact CG2-CG 4.09Å |
| 172 | N | 76.2 | Confident | 72.9 | Confident | 145 Ų | 145 | 66.5 Ų | 66.5 | 78% | 0.775 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 34.9 | -177.4 | -158.5 | 43.8 | 0 | 0 | 0 | 112.7 | L168 Q169 H170 | L168-N172 PolarHBondContact O-N 3.17Å; Q169-N172 WeakPolarHBondContact O-CA 3.21Å; Q169-N172 PolarHBondContact O-N 3.25Å; H170-N172 PolarHBondContact O-N 2.91Å |
| 173 | L | 71.3 | Confident | 72.8 | Confident | 33 Ų | 33 | 65.5 Ų | 65.5 | 17% | 0.173 | 37% | 0.37 | C | S | . | . | trans | -101.6 | 121.5 | 171.8 | -66.4 | 169.9 | 0 | 0 | 0 | 108 | L168 V171 A175 I205 L209 | L168-L173 HydrophobicContact CD2-CD1 4.49Å; L168-L173 PolarHBondContact O-N 2.96Å; L168-L173 VanDerWaalsContact O-N 3.1Å; V171-L173 HydrophobicContact CB-CD1 4.31Å; V171-L173 HydrophobicContact CB-CG 4.47Å; V171-L173 HydrophobicContact CG1-CD1 3.63Å; V171-L173 HydrophobicContact CG1-CG 3.99Å; V171-L173 PolarHBondContact O-N 2.92Å; L173-A175 PolarHBondContact O-N 3.14Å; L173-A175 VanDerWaalsContact O-N 3.16Å; L173-I205 HydrophobicContact CD1-CG2 4.03Å; L173-I205 HydrophobicContact CD2-CD1 4.29Å; L173-I205 HydrophobicContact CD2-CG1 4.26Å; L173-I205 HydrophobicContact CD2-CG2 3.58Å; L173-I205 HydrophobicContact CG-CG2 4.48Å; L173-L209 HydrophobicContact CD1-CD1 3.99Å; L173-L209 HydrophobicContact CD1-CD2 3.32Å; L173-L209 HydrophobicContact CD1-CG 3.53Å | ||
| 174 | D | 63.5 | Low | 72.6 | Confident | 152 Ų | 152 | 65.1 Ų | 65.1 | 81% | 0.813 | 37% | 0.368 | S | S | * | . | trans | -57.1 | 123 | 169.7 | -75.8 | -32 | 0 | 0 | 0 | 107.4 | S176 | D174-S176 PolarHBondContact O-N 2.95Š| ||
| 175 | A | 54.9 | Low | 72.5 | Confident | 40 Ų | 40 | 71.5 Ų | 71.5 | 33% | 0.331 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -71.3 | 37.8 | -163.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y165 L173 L177 | Y165-A175 HydrophobicContact CD2-CB 3.54Å; Y165-A175 HydrophobicContact CE2-CB 3.15Å; L173-A175 PolarHBondContact O-N 3.14Å; L173-A175 VanDerWaalsContact O-N 3.16Å; A175-L177 VanDerWaalsContact C-N 3.32Å; A175-L177 PolarHBondContact O-N 3.45Å |
| 176 | S | 55.6 | Low | 72.5 | Confident | 98 Ų | 98 | 69.6 Ų | 69.6 | 69% | 0.685 | 39% | 0.393 | S | S | * | . | trans | -95.1 | 45.2 | 175.4 | 60.4 | 0 | 0 | 0 | 0 | 111.3 | D174 P178 | D174-S176 PolarHBondContact O-N 2.95Å; S176-P178 VanDerWaalsContact O-CD 3.24Å; S176-P178 WeakPolarHBondContact O-CD 3.12Å | ||
| 177 | L | 62.4 | Low | 72.6 | Confident | 32 Ų | 32 | 68.7 Ų | 68.7 | 17% | 0.168 | 39% | 0.389 | C | S | . | . | trans | -64.1 | 115.7 | 157.4 | -76.9 | 175.3 | 0 | 0 | 0 | 106.1 | L168 A175 G179 F182 W190 V200 | L168-L177 HydrophobicContact CD1-CD1 3.72Å; L168-L177 HydrophobicContact CD1-CG 4.41Å; L168-L177 HydrophobicContact CD2-CD1 4.02Å; A175-L177 VanDerWaalsContact C-N 3.32Å; A175-L177 PolarHBondContact O-N 3.45Å; L177-G179 PolarHBondContact O-N 3.36Å; L177-G179 VanDerWaalsContact O-N 3.14Å; L177-F182 HydrophobicContact CB-CE2 4.09Å; L177-F182 HydrophobicContact CD1-CE2 4.15Å; L177-W190 HydrophobicContact CD1-CH2 3.6Å; L177-W190 HydrophobicContact CD1-CZ3 4.12Å; L177-V200 HydrophobicContact CD2-CG2 3.51Å | ||
| 178 | P | 54.5 | Low | 72.4 | Confident | 83 Ų | 83 | 72.8 Ų | 72.8 | 54% | 0.539 | 41% | 0.408 | S | S | . | . | trans | -68.3 | 115.1 | -170.2 | 25.8 | -32.6 | 0 | 0 | 0 | 111 | S176 L198 | S176-P178 VanDerWaalsContact O-CD 3.24Å; S176-P178 WeakPolarHBondContact O-CD 3.12Å; P178-L198 WeakPolarHBondContact CD-O 3.33Å; P178-L198 WeakPolarHBondContact CG-O 3.44Å | ||
| 179 | G | 54.6 | Low | 72.3 | Confident | 85 Ų | 85 | 78.5 Ų | 78.5 | 88% | 0.876 | 44% | 0.439 | S | S | * | . | S | Bend | trans | 89.2 | 10.2 | 140 | 0 | 0 | 0 | 0 | 0 | 119.4 | L177 | L177-G179 PolarHBondContact O-N 3.36Å; L177-G179 VanDerWaalsContact O-N 3.14Å |
| 180 | S | 59.2 | Low | 72.5 | Confident | 55 Ų | 55 | 74.7 Ų | 74.7 | 39% | 0.385 | 42% | 0.421 | S | S | . | . | trans | -137.8 | 133.9 | 174.3 | 46.7 | 0 | 0 | 0 | 0 | 113.6 | F182 | S180-F182 VanDerWaalsContact C-N 3.33Å; S180-F182 WeakPolarHBondContact O-CD2 3.13Å; S180-F182 WeakPolarHBondContact O-CE2 3.4Å; S180-F182 PolarHBondContact O-N 3.4Å; S180-F182 WeakPolarHBondContact OG-CE1 3.49Å; S180-F182 VanDerWaalsContact OG-CE2 3.32Å; S180-F182 WeakPolarHBondContact OG-CE2 3.27Å; S180-F182 WeakPolarHBondContact OG-CZ 3.3Å | ||
| 181 | E | 69.9 | Low | 72.7 | Confident | 177 Ų | 177 | 73 Ų | 73 | 83% | 0.827 | 42% | 0.415 | S | S | * | . | trans | -69.4 | 91.8 | 166.9 | -67.6 | -177.3 | 176.9 | 0 | 0 | 108.4 | ||||
| 182 | F | 76.6 | Confident | 73 | Confident | 23 Ų | 23 | 75.6 Ų | 75.6 | 10% | 0.101 | 43% | 0.428 | C | S | . | . | trans | -73.7 | 142 | 174.8 | -58.8 | -73.3 | 0 | 0 | 0 | 110.5 | I164 L177 S180 D186 L187 W190 L198 | I164-F182 HydrophobicContact CD1-CB 3.96Å; I164-F182 WeakPolarHBondContact CD1-O 3.48Å; L177-F182 HydrophobicContact CB-CE2 4.09Å; L177-F182 HydrophobicContact CD1-CE2 4.15Å; S180-F182 VanDerWaalsContact C-N 3.33Å; S180-F182 WeakPolarHBondContact O-CD2 3.13Å; S180-F182 WeakPolarHBondContact O-CE2 3.4Å; S180-F182 PolarHBondContact O-N 3.4Å; S180-F182 WeakPolarHBondContact OG-CE1 3.49Å; S180-F182 VanDerWaalsContact OG-CE2 3.32Å; S180-F182 WeakPolarHBondContact OG-CE2 3.27Å; S180-F182 WeakPolarHBondContact OG-CZ 3.3Å; F182-D186 HydrophobicContact CD1-CB 4.45Å; F182-L187 HydrophobicContact CB-CD1 3.89Å; F182-W190 HydrophobicContact CB-CZ2 4.34Å; F182-W190 AromaticContact CD1-CZ2 3.63Å; F182-W190 HydrophobicContact CD1-CZ2 3.63Å; F182-W190 HydrophobicContact CD2-CH2 4.34Å; F182-W190 AromaticContact CD2-CZ2 3.96Å; F182-W190 HydrophobicContact CD2-CZ2 3.96Å; F182-W190 AromaticContact CE1-CZ2 3.74Å; F182-W190 HydrophobicContact CE1-CZ2 3.74Å; F182-W190 HydrophobicContact CE2-CH2 4.41Å; F182-W190 HydrophobicContact CE2-CZ2 4.1Å; F182-W190 HydrophobicContact CG-CH2 4.47Å; F182-W190 AromaticContact CG-CZ2 3.71Å; F182-W190 HydrophobicContact CG-CZ2 3.71Å; F182-W190 AromaticContact CZ-CZ2 3.95Å; F182-W190 HydrophobicContact CZ-CZ2 3.95Å; F182-L198 HydrophobicContact CE1-CD1 3.69Å; F182-L198 HydrophobicContact CE1-CD2 3.77Å; F182-L198 HydrophobicContact CE1-CG 4.37Å; F182-L198 HydrophobicContact CZ-CD1 3.53Å; F182-L198 HydrophobicContact CZ-CD2 3.55Å; F182-L198 HydrophobicContact CZ-CG 4.11Å | ||
| 183 | I | 81 | Confident | 73.5 | Confident | 96 Ų | 96 | 75 Ų | 75 | 49% | 0.492 | 42% | 0.421 | S | S | . | . | trans | -106.7 | 153.9 | 167.6 | -58.7 | 173.9 | 0 | 0 | 0 | 107.5 | K185 D186 | I183-K185 PolarHBondContact O-N 3.22Å; I183-D186 PolarHBondContact N-OD2 2.89Å; I183-D186 WeakPolarHBondContact O-CB 3.35Å; I183-D186 PolarHBondContact O-N 3.31Å | ||
| 184 | G | 80.4 | Confident | 74.2 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -23 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L156 W159 L187 | L156-G184 CarbonylContact O-C 3.59Å; L156-G184 WeakPolarHBondContact O-CA 3.42Å; W159-G184 PolarHBondContact O-N 3.14Å; G184-L187 PolarHBondContact O-N 3.41Å |
| 185 | K | 82 | Confident | 75.2 | Confident | 140 Ų | 140 | 68.2 Ų | 68.2 | 61% | 0.609 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -36.8 | 171.8 | -70.2 | -174.1 | 179 | 179.5 | 0 | 112.7 | I183 L187 E188 | I183-K185 PolarHBondContact O-N 3.22Å; K185-L187 VanDerWaalsContact C-N 3.29Å; K185-L187 PolarHBondContact O-N 3.34Å; K185-E188 WeakPolarHBondContact O-CB 3.3Å; K185-E188 PolarHBondContact O-N 3.22Å |
| 186 | D | 82.7 | Confident | 76.7 | Confident | 71 Ų | 71 | 69.4 Ų | 69.4 | 38% | 0.38 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67 | -38.4 | 179.6 | -53.1 | -40.8 | 0 | 0 | 0 | 110.1 | F182 I183 E188 N189 W190 | F182-D186 HydrophobicContact CD1-CB 4.45Å; I183-D186 PolarHBondContact N-OD2 2.89Å; I183-D186 WeakPolarHBondContact O-CB 3.35Å; I183-D186 PolarHBondContact O-N 3.31Å; D186-E188 PolarHBondContact O-N 2.92Å; D186-N189 PolarHBondContact O-N 3.3Å; D186-W190 PolarHBondContact O-N 2.99Å; D186-W190 PolarHBondContact O-NE1 3.17Å |
| 187 | L | 84.5 | Confident | 78 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.4 | -17.4 | 176.3 | -82.1 | 71.6 | 0 | 0 | 0 | 113.3 | L156 W159 I164 W167 F182 G184 K185 N189 W190 L213 R217 | L156-L187 HydrophobicContact CD1-CB 4.01Å; L156-L187 HydrophobicContact CD1-CD2 4.11Å; L156-L187 HydrophobicContact CD2-CB 4.38Å; L156-L187 HydrophobicContact CG-CB 4.37Å; W159-L187 HydrophobicContact CE3-CD2 4.22Å; W159-L187 HydrophobicContact CZ3-CD2 4.32Å; I164-L187 HydrophobicContact CD1-CD1 3.53Å; I164-L187 HydrophobicContact CD1-CD2 4.31Å; I164-L187 HydrophobicContact CG1-CD1 4.01Å; I164-L187 HydrophobicContact CG1-CD2 3.86Å; I164-L187 HydrophobicContact CG2-CD1 4.36Å; I164-L187 HydrophobicContact CG2-CD2 4.21Å; W167-L187 HydrophobicContact CE3-CD2 4.01Å; W167-L187 HydrophobicContact CZ3-CD2 3.85Å; F182-L187 HydrophobicContact CB-CD1 3.89Å; G184-L187 PolarHBondContact O-N 3.41Å; K185-L187 VanDerWaalsContact C-N 3.29Å; K185-L187 PolarHBondContact O-N 3.34Å; L187-N189 VanDerWaalsContact C-N 3.28Å; L187-W190 HydrophobicContact CD1-CH2 4.12Å; L187-W190 HydrophobicContact CD1-CZ2 3.69Å; L187-W190 HydrophobicContact CG-CD2 4.15Å; L187-W190 HydrophobicContact CG-CE3 4.32Å; L187-W190 HydrophobicContact CG-CH2 4.14Å; L187-W190 HydrophobicContact CG-CZ2 3.99Å; L187-W190 HydrophobicContact CG-CZ3 4.31Å; L187-L213 HydrophobicContact CB-CD2 4.18Å; L187-L213 HydrophobicContact CD2-CD2 3.96Å; L187-L213 HydrophobicContact CG-CD2 4.3Å; L187-R217 PolarHBondContact O-NE 3.07Å; L187-R217 PolarHBondContact O-NH2 3.11Å |
| 188 | E | 81.8 | Confident | 78.9 | Confident | 87 Ų | 87 | 72.6 Ų | 72.6 | 41% | 0.407 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -70.7 | -27.3 | 173.7 | -74.1 | -179.6 | 177.7 | 0 | 0 | 111.8 | L156 S157 K185 D186 R217 | L156-E188 HydrophobicContact CB-CG 4.47Å; L156-E188 HydrophobicContact CD2-CG 3.73Å; L156-E188 HydrophobicContact CG-CG 4.04Å; S157-E188 WeakPolarHBondContact CB-OE1 3.45Å; S157-E188 PolarHBondContact N-OE1 2.96Å; K185-E188 WeakPolarHBondContact O-CB 3.3Å; K185-E188 PolarHBondContact O-N 3.22Å; D186-E188 PolarHBondContact O-N 2.92Å; E188-R217 PolarHBondContact O-NE 3.38Å; E188-R217 PolarHBondContact O-NH2 3.3Å |
| 189 | N | 82.7 | Confident | 80.2 | Confident | 131 Ų | 131 | 70.7 Ų | 70.7 | 70% | 0.701 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -101.6 | -2.3 | -176.9 | -65.3 | -26 | 0 | 0 | 0 | 114 | D186 L187 N191 | D186-N189 PolarHBondContact O-N 3.3Å; L187-N189 VanDerWaalsContact C-N 3.28Å; N189-N191 PolarHBondContact O-N 2.99Å |
| 190 | W | 85.8 | Confident | 81.5 | Confident | 7 Ų | 7 | 67.4 Ų | 67.4 | 3% | 0.027 | 35% | 0.351 | C | S | . | . | trans | -60.8 | 123.1 | 177.6 | -73.7 | 12.9 | 0 | 0 | 0 | 111.2 | W167 L177 F182 D186 L187 V194 L195 L198 L213 R217 | W167-W190 HydrophobicContact CZ3-CZ3 4.28Å; L177-W190 HydrophobicContact CD1-CH2 3.6Å; L177-W190 HydrophobicContact CD1-CZ3 4.12Å; F182-W190 HydrophobicContact CB-CZ2 4.34Å; F182-W190 AromaticContact CD1-CZ2 3.63Å; F182-W190 HydrophobicContact CD1-CZ2 3.63Å; F182-W190 HydrophobicContact CD2-CH2 4.34Å; F182-W190 AromaticContact CD2-CZ2 3.96Å; F182-W190 HydrophobicContact CD2-CZ2 3.96Å; F182-W190 AromaticContact CE1-CZ2 3.74Å; F182-W190 HydrophobicContact CE1-CZ2 3.74Å; F182-W190 HydrophobicContact CE2-CH2 4.41Å; F182-W190 HydrophobicContact CE2-CZ2 4.1Å; F182-W190 HydrophobicContact CG-CH2 4.47Å; F182-W190 AromaticContact CG-CZ2 3.71Å; F182-W190 HydrophobicContact CG-CZ2 3.71Å; F182-W190 AromaticContact CZ-CZ2 3.95Å; F182-W190 HydrophobicContact CZ-CZ2 3.95Å; D186-W190 PolarHBondContact O-N 2.99Å; D186-W190 PolarHBondContact O-NE1 3.17Å; L187-W190 HydrophobicContact CD1-CH2 4.12Å; L187-W190 HydrophobicContact CD1-CZ2 3.69Å; L187-W190 HydrophobicContact CG-CD2 4.15Å; L187-W190 HydrophobicContact CG-CE3 4.32Å; L187-W190 HydrophobicContact CG-CH2 4.14Å; L187-W190 HydrophobicContact CG-CZ2 3.99Å; L187-W190 HydrophobicContact CG-CZ3 4.31Å; W190-V194 HydrophobicContact CG-CG1 4.29Å; W190-L195 HydrophobicContact CD2-CD2 4.25Å; W190-L195 HydrophobicContact CE3-CD2 3.57Å; W190-L195 HydrophobicContact CZ3-CD2 3.94Å; W190-L198 HydrophobicContact CZ2-CD1 3.99Å; W190-L213 HydrophobicContact CB-CD1 4Å; W190-L213 HydrophobicContact CD2-CD1 4.4Å; W190-L213 HydrophobicContact CE3-CD1 3.74Å; W190-R217 PolarHBondContact O-NH2 2.97Å | ||
| 191 | N | 86.1 | Confident | 82.5 | Confident | 61 Ų | 61 | 75.5 Ų | 75.5 | 33% | 0.326 | 37% | 0.374 | S | S | . | . | trans | -123.4 | 179.7 | 170.5 | 67.7 | -3.4 | 0 | 0 | 0 | 109.1 | N189 E193 V194 L195 | N189-N191 PolarHBondContact O-N 2.99Å; N191-E193 PolarHBondContact ND2-OE2 3.08Å; N191-E193 VanDerWaalsContact ND2-OE2 3.13Å; N191-E193 PolarHBondContact O-N 3.2Å; N191-E193 PolarHBondContact OD1-N 2.96Å; N191-V194 PolarHBondContact O-N 3.41Å; N191-V194 VanDerWaalsContact OD1-CB 3.32Å; N191-V194 WeakPolarHBondContact OD1-CB 3.48Å; N191-V194 WeakPolarHBondContact OD1-CG2 3.4Å; N191-V194 PolarHBondContact OD1-N 3.48Å; N191-L195 WeakPolarHBondContact O-CG 3.47Å; N191-L195 PolarHBondContact O-N 2.77Å | ||
| 192 | D | 86.8 | Confident | 83.2 | Confident | 71 Ų | 71 | 70.8 Ų | 70.8 | 38% | 0.38 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.2 | -34.7 | -179.7 | -167.3 | 63.5 | 0 | 0 | 0 | 112.6 | L195 T196 R206 L210 | D192-L195 PolarHBondContact O-N 2.98Å; D192-T196 WeakPolarHBondContact O-CB 3.44Å; D192-T196 PolarHBondContact O-N 3.09Å; D192-T196 PolarHBondContact O-OG1 3.13Å; D192-R206 VanDerWaalsContact OD1-CD 3.28Å; D192-R206 WeakPolarHBondContact OD1-CD 3.39Å; D192-R206 IonicContact OD1-CZ 3.8Å; D192-R206 IonicContact OD1-NE 2.76Å; D192-R206 PolarHBondContact OD1-NE 3.18Å; D192-R206 IonicContact OD1-NH2 3.97Å; D192-R206 IonicContact OD2-NE 3.6Å; D192-R206 IonicContact OD2-NH2 3.87Å; D192-L210 HydrophobicContact CB-CD1 4.17Å |
| 193 | E | 87.4 | Confident | 83.7 | Confident | 134 Ų | 134 | 72.8 Ų | 72.8 | 63% | 0.626 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -65.1 | -50.9 | 178 | -61 | 169.5 | 167.2 | 0 | 0 | 111.1 | N191 L195 T196 E197 | N191-E193 PolarHBondContact ND2-OE2 3.08Å; N191-E193 VanDerWaalsContact ND2-OE2 3.13Å; N191-E193 PolarHBondContact O-N 3.2Å; N191-E193 PolarHBondContact OD1-N 2.96Å; E193-L195 VanDerWaalsContact C-N 3.33Å; E193-L195 PolarHBondContact O-N 3.13Å; E193-T196 CarbonylContact O-C 3.45Å; E193-T196 WeakPolarHBondContact O-CA 3.33Å; E193-T196 WeakPolarHBondContact O-CB 3.49Å; E193-T196 PolarHBondContact O-N 2.7Å; E193-E197 WeakPolarHBondContact O-CG 3.46Å; E193-E197 PolarHBondContact O-N 2.8Å |
| 194 | V | 85.7 | Confident | 84 | Confident | 41 Ų | 41 | 77.3 Ų | 77.3 | 25% | 0.248 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 177.1 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | W190 N191 T196 E197 L198 | W190-V194 HydrophobicContact CG-CG1 4.29Å; N191-V194 PolarHBondContact O-N 3.41Å; N191-V194 VanDerWaalsContact OD1-CB 3.32Å; N191-V194 WeakPolarHBondContact OD1-CB 3.48Å; N191-V194 WeakPolarHBondContact OD1-CG2 3.4Å; N191-V194 PolarHBondContact OD1-N 3.48Å; V194-T196 VanDerWaalsContact C-N 3.26Å; V194-T196 PolarHBondContact O-N 2.87Å; V194-E197 PolarHBondContact O-N 3.33Å; V194-L198 HydrophobicContact CG1-CD1 3.93Å; V194-L198 HydrophobicContact CG1-CG 4.24Å; V194-L198 WeakPolarHBondContact O-CB 3.45Å; V194-L198 WeakPolarHBondContact O-CG 3.2Å; V194-L198 PolarHBondContact O-N 2.86Å |
| 195 | L | 85 | Confident | 84.1 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.9 | -35.1 | 176.3 | -73.6 | 176.3 | 0 | 0 | 0 | 112.3 | W190 N191 D192 E193 L198 G199 V200 R206 L209 L210 | W190-L195 HydrophobicContact CD2-CD2 4.25Å; W190-L195 HydrophobicContact CE3-CD2 3.57Å; W190-L195 HydrophobicContact CZ3-CD2 3.94Å; N191-L195 WeakPolarHBondContact O-CG 3.47Å; N191-L195 PolarHBondContact O-N 2.77Å; D192-L195 PolarHBondContact O-N 2.98Å; E193-L195 VanDerWaalsContact C-N 3.33Å; E193-L195 PolarHBondContact O-N 3.13Å; L195-L198 PolarHBondContact O-N 3.39Å; L195-G199 PolarHBondContact O-N 3.45Å; L195-V200 HydrophobicContact CB-CB 4.46Å; L195-V200 HydrophobicContact CD2-CG2 4.45Å; L195-V200 VanDerWaalsContact O-CB 3.28Å; L195-V200 WeakPolarHBondContact O-CB 3.48Å; L195-V200 PolarHBondContact O-N 3.45Å; L195-R206 HydrophobicContact CB-CG 3.93Å; L195-R206 HydrophobicContact CD1-CB 4.18Å; L195-R206 HydrophobicContact CD1-CG 4.3Å; L195-L209 HydrophobicContact CD1-CB 4.12Å; L195-L209 HydrophobicContact CD1-CD1 4.39Å; L195-L209 HydrophobicContact CD2-CD1 3.97Å; L195-L210 HydrophobicContact CD1-CD1 4.31Å; L195-L210 HydrophobicContact CD1-CD2 3.91Å; L195-L210 HydrophobicContact CD1-CG 3.76Å |
| 196 | T | 85.7 | Confident | 84.4 | Confident | 65 Ų | 65 | 74.8 Ų | 74.8 | 40% | 0.399 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68.1 | -42.1 | 174.8 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | D192 E193 V194 L198 G199 R206 | D192-T196 WeakPolarHBondContact O-CB 3.44Å; D192-T196 PolarHBondContact O-N 3.09Å; D192-T196 PolarHBondContact O-OG1 3.13Å; E193-T196 CarbonylContact O-C 3.45Å; E193-T196 WeakPolarHBondContact O-CA 3.33Å; E193-T196 WeakPolarHBondContact O-CB 3.49Å; E193-T196 PolarHBondContact O-N 2.7Å; V194-T196 VanDerWaalsContact C-N 3.26Å; V194-T196 PolarHBondContact O-N 2.87Å; T196-L198 VanDerWaalsContact C-N 3.33Å; T196-L198 PolarHBondContact O-N 3.05Å; T196-G199 PolarHBondContact O-N 3.43Å; T196-G199 VanDerWaalsContact O-N 3.09Å; T196-R206 WeakPolarHBondContact OG1-CD 3.24Å; T196-R206 PolarHBondContact OG1-NE 3.28Å |
| 197 | E | 83.9 | Confident | 84.6 | Confident | 166 Ų | 166 | 77.8 Ų | 77.8 | 78% | 0.776 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63.8 | -36.5 | 174.2 | -71.3 | -179.9 | 175.9 | 0 | 0 | 112.4 | E193 V194 G199 | E193-E197 WeakPolarHBondContact O-CG 3.46Å; E193-E197 PolarHBondContact O-N 2.8Å; V194-E197 PolarHBondContact O-N 3.33Å; E197-G199 PolarHBondContact O-N 3.41Å; E197-G199 VanDerWaalsContact O-N 3.14Å |
| 198 | L | 80.4 | Confident | 84.7 | Confident | 32 Ų | 32 | 81.2 Ų | 81.2 | 17% | 0.168 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 3.1 | 173.7 | -67.5 | 178.2 | 0 | 0 | 0 | 113.5 | P178 F182 W190 V194 L195 T196 | P178-L198 WeakPolarHBondContact CD-O 3.33Å; P178-L198 WeakPolarHBondContact CG-O 3.44Å; F182-L198 HydrophobicContact CE1-CD1 3.69Å; F182-L198 HydrophobicContact CE1-CD2 3.77Å; F182-L198 HydrophobicContact CE1-CG 4.37Å; F182-L198 HydrophobicContact CZ-CD1 3.53Å; F182-L198 HydrophobicContact CZ-CD2 3.55Å; F182-L198 HydrophobicContact CZ-CG 4.11Å; W190-L198 HydrophobicContact CZ2-CD1 3.99Å; V194-L198 HydrophobicContact CG1-CD1 3.93Å; V194-L198 HydrophobicContact CG1-CG 4.24Å; V194-L198 WeakPolarHBondContact O-CB 3.45Å; V194-L198 WeakPolarHBondContact O-CG 3.2Å; V194-L198 PolarHBondContact O-N 2.86Å; L195-L198 PolarHBondContact O-N 3.39Å; T196-L198 VanDerWaalsContact C-N 3.33Å; T196-L198 PolarHBondContact O-N 3.05Å |
| 199 | G | 81.7 | Confident | 84.9 | Confident | 42 Ų | 42 | 77.1 Ų | 77.1 | 43% | 0.433 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | 6.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L195 T196 E197 R201 | L195-G199 PolarHBondContact O-N 3.45Å; T196-G199 PolarHBondContact O-N 3.43Å; T196-G199 VanDerWaalsContact O-N 3.09Å; E197-G199 PolarHBondContact O-N 3.41Å; E197-G199 VanDerWaalsContact O-N 3.14Å; G199-R201 PolarHBondContact O-N 3.2Å |
| 200 | V | 82.5 | Confident | 85.1 | Confident | 16 Ų | 16 | 72.5 Ų | 72.5 | 10% | 0.097 | 36% | 0.358 | C | S | . | . | trans | -78.7 | 84.6 | 174.7 | -170.3 | 0 | 0 | 0 | 0 | 109.4 | L177 L195 I205 R206 L209 | L177-V200 HydrophobicContact CD2-CG2 3.51Å; L195-V200 HydrophobicContact CB-CB 4.46Å; L195-V200 HydrophobicContact CD2-CG2 4.45Å; L195-V200 VanDerWaalsContact O-CB 3.28Å; L195-V200 WeakPolarHBondContact O-CB 3.48Å; L195-V200 PolarHBondContact O-N 3.45Å; V200-I205 HydrophobicContact CG1-CB 3.99Å; V200-I205 HydrophobicContact CG1-CG2 3.62Å; V200-R206 HydrophobicContact CB-CG 3.98Å; V200-R206 HydrophobicContact CG1-CG 3.59Å; V200-R206 VanDerWaalsContact O-CD 3.26Å; V200-R206 WeakPolarHBondContact O-CD 3.4Å; V200-R206 WeakPolarHBondContact O-CG 3.18Å; V200-R206 PolarHBondContact O-NH1 2.9Å; V200-L209 HydrophobicContact CG1-CD1 4.46Å | ||
| 201 | R | 81 | Confident | 85.2 | Confident | 225 Ų | 225 | 77.3 Ų | 77.3 | 85% | 0.849 | 38% | 0.38 | S | S | * | . | trans | -75.4 | -26.4 | -177 | -64.4 | -176.5 | -176.8 | 178.7 | 1 | 114.1 | G199 S203 R206 | G199-R201 PolarHBondContact O-N 3.2Å; R201-S203 PolarHBondContact O-N 2.93Å; R201-R206 PolarHBondContact O-NH1 2.75Å | ||
| 202 | D | 83.9 | Confident | 85.2 | Confident | 79 Ų | 79 | 76.1 Ų | 76.1 | 42% | 0.422 | 37% | 0.373 | S | S | . | . | trans | -74.1 | 115.7 | -179.5 | -171.5 | -21.5 | 0 | 0 | 0 | 110.7 | R204 I205 R206 | D202-R204 PolarHBondContact O-N 3.24Å; D202-R204 VanDerWaalsContact OD1-CB 3.28Å; D202-R204 WeakPolarHBondContact OD1-CB 3.44Å; D202-R204 PolarHBondContact OD1-N 3.1Å; D202-I205 HydrophobicContact CB-CB 4.08Å; D202-I205 HydrophobicContact CB-CD1 3.82Å; D202-I205 HydrophobicContact CB-CG1 3.87Å; D202-I205 PolarHBondContact O-N 3.45Å; D202-R206 WeakPolarHBondContact O-CG 3.45Å; D202-R206 PolarHBondContact O-N 3.48Å | ||
| 203 | S | 87.3 | Confident | 85.3 | Confident | 64 Ų | 64 | 72.7 Ų | 72.7 | 45% | 0.448 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.5 | -34.9 | 179.1 | 59.7 | 0 | 0 | 0 | 0 | 112.2 | R201 I205 R206 E207 | R201-S203 PolarHBondContact O-N 2.93Å; S203-I205 VanDerWaalsContact C-N 3.34Å; S203-I205 PolarHBondContact O-N 2.98Å; S203-R206 PolarHBondContact O-N 3.06Å; S203-E207 WeakPolarHBondContact O-CG 2.81Å; S203-E207 PolarHBondContact O-N 3.15Å |
| 204 | R | 86.2 | Confident | 85.2 | Confident | 191 Ų | 191 | 70.8 Ų | 70.8 | 72% | 0.721 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -68.1 | -37.7 | -179.9 | -170 | 177.5 | -178.7 | 176 | 0.4 | 111.4 | D202 L208 | D202-R204 PolarHBondContact O-N 3.24Å; D202-R204 VanDerWaalsContact OD1-CB 3.28Å; D202-R204 WeakPolarHBondContact OD1-CB 3.44Å; D202-R204 PolarHBondContact OD1-N 3.1Å; R204-L208 VanDerWaalsContact O-CB 3.3Å; R204-L208 WeakPolarHBondContact O-CB 3.39Å; R204-L208 PolarHBondContact O-N 2.72Å; R204-L208 VanDerWaalsContact O-N 3.12Å |
| 205 | I | 84.1 | Confident | 85.1 | Confident | 56 Ų | 56 | 72.7 Ų | 72.7 | 29% | 0.287 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -69 | -41.9 | 175.4 | -63.1 | 178.9 | 0 | 0 | 0 | 110.1 | L173 V200 D202 S203 L208 L209 | L173-I205 HydrophobicContact CD1-CG2 4.03Å; L173-I205 HydrophobicContact CD2-CD1 4.29Å; L173-I205 HydrophobicContact CD2-CG1 4.26Å; L173-I205 HydrophobicContact CD2-CG2 3.58Å; L173-I205 HydrophobicContact CG-CG2 4.48Å; V200-I205 HydrophobicContact CG1-CB 3.99Å; V200-I205 HydrophobicContact CG1-CG2 3.62Å; D202-I205 HydrophobicContact CB-CB 4.08Å; D202-I205 HydrophobicContact CB-CD1 3.82Å; D202-I205 HydrophobicContact CB-CG1 3.87Å; D202-I205 PolarHBondContact O-N 3.45Å; S203-I205 VanDerWaalsContact C-N 3.34Å; S203-I205 PolarHBondContact O-N 2.98Å; I205-L208 PolarHBondContact O-N 2.92Å; I205-L209 HydrophobicContact CG2-CD1 3.98Å; I205-L209 HydrophobicContact CG2-CG 4.39Å; I205-L209 WeakPolarHBondContact O-CB 3.32Å; I205-L209 WeakPolarHBondContact O-CG 3.06Å; I205-L209 PolarHBondContact O-N 3.47Å |
| 206 | R | 86.7 | Confident | 85 | Confident | 32 Ų | 32 | 73.2 Ų | 73.2 | 12% | 0.121 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 176.8 | -67.8 | -160.9 | -57.4 | -84.8 | 1.6 | 112.2 | D192 L195 T196 V200 R201 D202 S203 L208 L209 L210 | D192-R206 VanDerWaalsContact OD1-CD 3.28Å; D192-R206 WeakPolarHBondContact OD1-CD 3.39Å; D192-R206 IonicContact OD1-CZ 3.8Å; D192-R206 IonicContact OD1-NE 2.76Å; D192-R206 PolarHBondContact OD1-NE 3.18Å; D192-R206 IonicContact OD1-NH2 3.97Å; D192-R206 IonicContact OD2-NE 3.6Å; D192-R206 IonicContact OD2-NH2 3.87Å; L195-R206 HydrophobicContact CB-CG 3.93Å; L195-R206 HydrophobicContact CD1-CB 4.18Å; L195-R206 HydrophobicContact CD1-CG 4.3Å; T196-R206 WeakPolarHBondContact OG1-CD 3.24Å; T196-R206 PolarHBondContact OG1-NE 3.28Å; V200-R206 HydrophobicContact CB-CG 3.98Å; V200-R206 HydrophobicContact CG1-CG 3.59Å; V200-R206 VanDerWaalsContact O-CD 3.26Å; V200-R206 WeakPolarHBondContact O-CD 3.4Å; V200-R206 WeakPolarHBondContact O-CG 3.18Å; V200-R206 PolarHBondContact O-NH1 2.9Å; R201-R206 PolarHBondContact O-NH1 2.75Å; D202-R206 WeakPolarHBondContact O-CG 3.45Å; D202-R206 PolarHBondContact O-N 3.48Å; S203-R206 PolarHBondContact O-N 3.06Å; R206-L208 VanDerWaalsContact C-N 3.33Å; R206-L208 PolarHBondContact O-N 2.81Å; R206-L209 PolarHBondContact O-N 2.99Å; R206-L210 WeakPolarHBondContact O-CB 3.3Å; R206-L210 VanDerWaalsContact O-CG 3.3Å; R206-L210 WeakPolarHBondContact O-CG 3.42Å; R206-L210 PolarHBondContact O-N 2.88Å |
| 207 | E | 87.1 | Confident | 84.8 | Confident | 133 Ų | 133 | 73.3 Ų | 73.3 | 62% | 0.621 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -58.1 | -45.8 | 176 | -75.9 | 174.8 | -171.3 | 0 | 0 | 111.8 | S203 L210 E211 | S203-E207 WeakPolarHBondContact O-CG 2.81Å; S203-E207 PolarHBondContact O-N 3.15Å; E207-L210 PolarHBondContact O-N 3.05Å; E207-E211 WeakPolarHBondContact O-CB 3.14Å; E207-E211 PolarHBondContact O-N 2.73Å |
| 208 | L | 86.8 | Confident | 84.1 | Confident | 72 Ų | 72 | 66.9 Ų | 66.9 | 38% | 0.377 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | -179.5 | -171.8 | 149.2 | 0 | 0 | 0 | 112.1 | V171 R204 I205 R206 E211 E212 | V171-L208 HydrophobicContact CG1-CD2 3.11Å; R204-L208 VanDerWaalsContact O-CB 3.3Å; R204-L208 WeakPolarHBondContact O-CB 3.39Å; R204-L208 PolarHBondContact O-N 2.72Å; R204-L208 VanDerWaalsContact O-N 3.12Å; I205-L208 PolarHBondContact O-N 2.92Å; R206-L208 VanDerWaalsContact C-N 3.33Å; R206-L208 PolarHBondContact O-N 2.81Å; L208-E211 PolarHBondContact O-N 2.72Å; L208-E212 PolarHBondContact O-N 3.21Å |
| 209 | L | 86.4 | Confident | 83.4 | Confident | 2 Ų | 2 | 70.4 Ų | 70.4 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.5 | -47 | 173.5 | -81.2 | 171 | 0 | 0 | 0 | 111.8 | W167 L168 V171 L173 L195 V200 I205 R206 E211 E212 L213 | W167-L209 HydrophobicContact CH2-CD2 3.66Å; W167-L209 HydrophobicContact CZ2-CD2 4.33Å; W167-L209 HydrophobicContact CZ3-CD2 4.2Å; L168-L209 HydrophobicContact CD2-CD2 3.9Å; V171-L209 HydrophobicContact CG1-CD2 4.42Å; L173-L209 HydrophobicContact CD1-CD1 3.99Å; L173-L209 HydrophobicContact CD1-CD2 3.32Å; L173-L209 HydrophobicContact CD1-CG 3.53Å; L195-L209 HydrophobicContact CD1-CB 4.12Å; L195-L209 HydrophobicContact CD1-CD1 4.39Å; L195-L209 HydrophobicContact CD2-CD1 3.97Å; V200-L209 HydrophobicContact CG1-CD1 4.46Å; I205-L209 HydrophobicContact CG2-CD1 3.98Å; I205-L209 HydrophobicContact CG2-CG 4.39Å; I205-L209 WeakPolarHBondContact O-CB 3.32Å; I205-L209 WeakPolarHBondContact O-CG 3.06Å; I205-L209 PolarHBondContact O-N 3.47Å; R206-L209 PolarHBondContact O-N 2.99Å; L209-E211 VanDerWaalsContact C-N 3.35Å; L209-E212 PolarHBondContact O-N 3.46Å; L209-L213 WeakPolarHBondContact O-CB 3.25Å; L209-L213 VanDerWaalsContact O-CG 3.3Å; L209-L213 WeakPolarHBondContact O-CG 3.41Å; L209-L213 PolarHBondContact O-N 2.96Å |
| 210 | L | 87.6 | Confident | 81.9 | Confident | 34 Ų | 34 | 70.9 Ų | 70.9 | 18% | 0.178 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.1 | -37.3 | 179.4 | -70.1 | 172.7 | 0 | 0 | 0 | 111.7 | D192 L195 R206 E207 N214 | D192-L210 HydrophobicContact CB-CD1 4.17Å; L195-L210 HydrophobicContact CD1-CD1 4.31Å; L195-L210 HydrophobicContact CD1-CD2 3.91Å; L195-L210 HydrophobicContact CD1-CG 3.76Å; R206-L210 WeakPolarHBondContact O-CB 3.3Å; R206-L210 VanDerWaalsContact O-CG 3.3Å; R206-L210 WeakPolarHBondContact O-CG 3.42Å; R206-L210 PolarHBondContact O-N 2.88Å; E207-L210 PolarHBondContact O-N 3.05Å; L210-N214 VanDerWaalsContact O-CB 3.25Å; L210-N214 WeakPolarHBondContact O-CB 3.14Å; L210-N214 PolarHBondContact O-N 2.82Å; L210-N214 PolarHBondContact O-ND2 3.47Å; L210-N214 VanDerWaalsContact O-ND2 3.08Å |
| 211 | E | 87.9 | Confident | 80.2 | Confident | 107 Ų | 107 | 73.9 Ų | 73.9 | 50% | 0.5 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.6 | -47.4 | 174.9 | -162.8 | -164 | 145.9 | 0 | 0 | 111.2 | E207 L208 L209 N214 K215 | E207-E211 WeakPolarHBondContact O-CB 3.14Å; E207-E211 PolarHBondContact O-N 2.73Å; L208-E211 PolarHBondContact O-N 2.72Å; L209-E211 VanDerWaalsContact C-N 3.35Å; E211-N214 PolarHBondContact O-N 3.44Å; E211-K215 WeakPolarHBondContact O-CG 3.15Å; E211-K215 PolarHBondContact O-N 3.33Å; E211-K215 WeakPolarHBondContact OE1-CE 3.15Å; E211-K215 IonicContact OE1-NZ 2.75Å; E211-K215 PolarHBondContact OE1-NZ 3.44Å |
| 212 | E | 86.2 | Confident | 78.5 | Confident | 36 Ų | 36 | 72 Ų | 72 | 17% | 0.168 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.6 | -39.5 | 177.7 | -73.5 | -60.1 | 130.3 | 0 | 0 | 112.5 | W167 V171 L208 L209 N214 K215 V216 | W167-E212 HydrophobicContact CZ2-CB 4.05Å; V171-E212 HydrophobicContact CG1-CG 4.41Å; V171-E212 HydrophobicContact CG2-CB 4.17Å; V171-E212 HydrophobicContact CG2-CG 4.09Å; L208-E212 PolarHBondContact O-N 3.21Å; L209-E212 PolarHBondContact O-N 3.46Å; E212-N214 VanDerWaalsContact C-N 3.34Å; E212-N214 PolarHBondContact O-N 3.34Å; E212-K215 WeakPolarHBondContact O-CB 3.42Å; E212-K215 PolarHBondContact O-N 3.06Å; E212-K215 VanDerWaalsContact OE1-CD 3.27Å; E212-K215 WeakPolarHBondContact OE1-CD 3.44Å; E212-K215 WeakPolarHBondContact OE1-CE 3.42Å; E212-K215 IonicContact OE1-NZ 2.69Å; E212-K215 PolarHBondContact OE1-NZ 3.5Å; E212-V216 WeakPolarHBondContact O-CG2 3.32Å; E212-V216 PolarHBondContact O-N 3.05Å |
| 213 | L | 87 | Confident | 76.5 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 172.2 | -78 | 172.4 | 0 | 0 | 0 | 111.5 | W167 L187 W190 L209 K215 V216 R217 | W167-L213 HydrophobicContact CH2-CD1 4.09Å; W167-L213 HydrophobicContact CH2-CD2 3.47Å; W167-L213 VanDerWaalsContact CH2-CD2 3.47Å; W167-L213 HydrophobicContact CH2-CG 3.48Å; W167-L213 VanDerWaalsContact CH2-CG 3.48Å; W167-L213 HydrophobicContact CZ2-CD2 3.71Å; W167-L213 HydrophobicContact CZ2-CG 3.69Å; W167-L213 HydrophobicContact CZ3-CD2 4.09Å; W167-L213 HydrophobicContact CZ3-CG 4.5Å; L187-L213 HydrophobicContact CB-CD2 4.18Å; L187-L213 HydrophobicContact CD2-CD2 3.96Å; L187-L213 HydrophobicContact CG-CD2 4.3Å; W190-L213 HydrophobicContact CB-CD1 4Å; W190-L213 HydrophobicContact CD2-CD1 4.4Å; W190-L213 HydrophobicContact CE3-CD1 3.74Å; L209-L213 WeakPolarHBondContact O-CB 3.25Å; L209-L213 VanDerWaalsContact O-CG 3.3Å; L209-L213 WeakPolarHBondContact O-CG 3.41Å; L209-L213 PolarHBondContact O-N 2.96Å; L213-K215 VanDerWaalsContact C-N 3.29Å; L213-K215 PolarHBondContact O-N 3.19Å; L213-V216 CarbonylContact O-C 3.53Å; L213-V216 PolarHBondContact O-N 2.88Å; L213-V216 VanDerWaalsContact O-N 3.09Å; L213-R217 WeakPolarHBondContact O-CB 3.09Å; L213-R217 VanDerWaalsContact O-CG 3.3Å; L213-R217 WeakPolarHBondContact O-CG 3.2Å; L213-R217 PolarHBondContact O-N 3.19Å |
| 214 | N | 85.6 | Confident | 74.1 | Confident | 93 Ų | 93 | 79.5 Ų | 79.5 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.7 | -35.3 | 176.1 | -76.8 | -31.6 | 0 | 0 | 0 | 111.9 | L210 E211 E212 G218 | L210-N214 VanDerWaalsContact O-CB 3.25Å; L210-N214 WeakPolarHBondContact O-CB 3.14Å; L210-N214 PolarHBondContact O-N 2.82Å; L210-N214 PolarHBondContact O-ND2 3.47Å; L210-N214 VanDerWaalsContact O-ND2 3.08Å; E211-N214 PolarHBondContact O-N 3.44Å; E212-N214 VanDerWaalsContact C-N 3.34Å; E212-N214 PolarHBondContact O-N 3.34Å; N214-G218 WeakPolarHBondContact O-CA 3.49Å; N214-G218 PolarHBondContact O-N 2.98Å |
| 215 | K | 84.8 | Confident | 71.6 | Confident | 82 Ų | 82 | 73.4 Ų | 73.4 | 36% | 0.357 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 170.8 | -71.7 | 168.8 | -169.3 | 164.1 | 0 | 111.5 | E211 E212 L213 R219 | E211-K215 WeakPolarHBondContact O-CG 3.15Å; E211-K215 PolarHBondContact O-N 3.33Å; E211-K215 WeakPolarHBondContact OE1-CE 3.15Å; E211-K215 IonicContact OE1-NZ 2.75Å; E211-K215 PolarHBondContact OE1-NZ 3.44Å; E212-K215 WeakPolarHBondContact O-CB 3.42Å; E212-K215 PolarHBondContact O-N 3.06Å; E212-K215 VanDerWaalsContact OE1-CD 3.27Å; E212-K215 WeakPolarHBondContact OE1-CD 3.44Å; E212-K215 WeakPolarHBondContact OE1-CE 3.42Å; E212-K215 IonicContact OE1-NZ 2.69Å; E212-K215 PolarHBondContact OE1-NZ 3.5Å; L213-K215 VanDerWaalsContact C-N 3.29Å; L213-K215 PolarHBondContact O-N 3.19Å; K215-R219 VanDerWaalsContact O-CG 3.24Å; K215-R219 WeakPolarHBondContact O-CG 3.39Å; K215-R219 PolarHBondContact O-N 3.03Å; K215-R219 VanDerWaalsContact O-N 3.13Å |
| 216 | V | 82.2 | Confident | 69.3 | Low | 10 Ų | 10 | 76.2 Ų | 76.2 | 6% | 0.061 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -70.5 | -46.1 | 178.5 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | L156 W159 E212 L213 G218 R219 C220 | L156-V216 HydrophobicContact CB-CG1 4.29Å; L156-V216 HydrophobicContact CD1-CG1 4.07Å; W159-V216 HydrophobicContact CH2-CB 4.46Å; W159-V216 HydrophobicContact CH2-CG1 3.76Å; W159-V216 HydrophobicContact CH2-CG2 3.95Å; W159-V216 HydrophobicContact CZ2-CG1 3.59Å; W159-V216 HydrophobicContact CZ2-CG2 4.36Å; E212-V216 WeakPolarHBondContact O-CG2 3.32Å; E212-V216 PolarHBondContact O-N 3.05Å; L213-V216 CarbonylContact O-C 3.53Å; L213-V216 PolarHBondContact O-N 2.88Å; L213-V216 VanDerWaalsContact O-N 3.09Å; V216-G218 PolarHBondContact O-N 2.91Å; V216-R219 WeakPolarHBondContact O-CB 3.44Å; V216-R219 PolarHBondContact O-N 3.39Å; V216-C220 PolarHBondContact O-N 2.68Å |
| 217 | R | 82.8 | Confident | 67.1 | Low | 67 Ų | 67 | 82.9 Ų | 82.9 | 25% | 0.253 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 175.1 | -69.1 | 176.1 | -172.8 | 169.6 | 2.2 | 111.1 | L156 L187 E188 W190 L213 R219 C220 A221 | L156-R217 HydrophobicContact CD2-CG 3.76Å; L187-R217 PolarHBondContact O-NE 3.07Å; L187-R217 PolarHBondContact O-NH2 3.11Å; E188-R217 PolarHBondContact O-NE 3.38Å; E188-R217 PolarHBondContact O-NH2 3.3Å; W190-R217 PolarHBondContact O-NH2 2.97Å; L213-R217 WeakPolarHBondContact O-CB 3.09Å; L213-R217 VanDerWaalsContact O-CG 3.3Å; L213-R217 WeakPolarHBondContact O-CG 3.2Å; L213-R217 PolarHBondContact O-N 3.19Å; R217-R219 VanDerWaalsContact C-N 3.29Å; R217-R219 PolarHBondContact O-N 3.35Å; R217-C220 WeakPolarHBondContact O-CB 3.42Å; R217-C220 PolarHBondContact O-N 2.99Å; R217-A221 PolarHBondContact O-N 3.06Å |
| 218 | G | 68.9 | Low | 64.6 | Low | 31 Ų | 31 | 78.6 Ų | 78.6 | 32% | 0.32 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.6 | -28.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | N214 V216 C220 A221 R222 | N214-G218 WeakPolarHBondContact O-CA 3.49Å; N214-G218 PolarHBondContact O-N 2.98Å; V216-G218 PolarHBondContact O-N 2.91Å; G218-C220 VanDerWaalsContact C-N 3.32Å; G218-A221 PolarHBondContact O-N 3.18Å; G218-R222 PolarHBondContact O-N 2.83Å |
| 219 | R | 64.9 | Low | 62.5 | Low | 107 Ų | 107 | 81.3 Ų | 81.3 | 40% | 0.404 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.8 | -32.9 | 172 | -74.8 | 171 | -157.6 | -167.8 | 8.5 | 112 | K215 V216 R217 R223 | K215-R219 VanDerWaalsContact O-CG 3.24Å; K215-R219 WeakPolarHBondContact O-CG 3.39Å; K215-R219 PolarHBondContact O-N 3.03Å; K215-R219 VanDerWaalsContact O-N 3.13Å; V216-R219 WeakPolarHBondContact O-CB 3.44Å; V216-R219 PolarHBondContact O-N 3.39Å; R217-R219 VanDerWaalsContact C-N 3.29Å; R217-R219 PolarHBondContact O-N 3.35Å; R219-R223 WeakPolarHBondContact O-CB 3.01Å; R219-R223 WeakPolarHBondContact O-CD 3.35Å; R219-R223 WeakPolarHBondContact O-CG 3.17Å; R219-R223 PolarHBondContact O-N 3Å |
| 220 | C | 51.2 | Low | 60.5 | Low | 51 Ų | 51 | 83.4 Ų | 83.4 | 35% | 0.345 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -70.1 | -41.4 | 175.5 | -79.9 | 0 | 0 | 0 | 0 | 111.9 | V216 R217 G218 R222 R223 | V216-C220 PolarHBondContact O-N 2.68Å; R217-C220 WeakPolarHBondContact O-CB 3.42Å; R217-C220 PolarHBondContact O-N 2.99Å; G218-C220 VanDerWaalsContact C-N 3.32Å; C220-R222 PolarHBondContact O-N 2.84Å; C220-R223 PolarHBondContact O-N 2.77Å |
| 221 | A | 46.2 | Very low | 58.5 | Low | 79 Ų | 79 | 82 Ų | 82 | 65% | 0.653 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65.9 | -35.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R217 G218 | R217-A221 PolarHBondContact O-N 3.06Å; G218-A221 PolarHBondContact O-N 3.18Å |
| 222 | R | 44.1 | Very low | 56.6 | Low | 185 Ų | 185 | 80.8 Ų | 80.8 | 70% | 0.698 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -81.2 | -10.2 | 179.4 | -67.9 | -176.1 | 178.2 | -178.4 | -0.1 | 114.4 | G218 C220 S225 | G218-R222 PolarHBondContact O-N 2.83Å; C220-R222 PolarHBondContact O-N 2.84Å; R222-S225 PolarHBondContact O-N 3.05Å; R222-S225 PolarHBondContact O-OG 2.65Å |
| 223 | R | 41.6 | Very low | 54.9 | Low | 115 Ų | 115 | 83.2 Ų | 83.2 | 43% | 0.434 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 3.4 | -174.9 | -86.1 | -179.6 | -176.7 | -168.7 | 8.9 | 115.3 | K152 T153 R219 C220 | K152-R223 PolarHBondContact O-NH2 3.08Å; T153-R223 PolarHBondContact O-NH1 3.43Å; R219-R223 WeakPolarHBondContact O-CB 3.01Å; R219-R223 WeakPolarHBondContact O-CD 3.35Å; R219-R223 WeakPolarHBondContact O-CG 3.17Å; R219-R223 PolarHBondContact O-N 3Å; C220-R223 PolarHBondContact O-N 2.77Å |
| 224 | Q | 38 | Very low | 53.3 | Low | 186 Ų | 186 | 84.3 Ų | 84.3 | 87% | 0.869 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -15.1 | 162.8 | -70.3 | -171.6 | 0.3 | 0 | 0 | 112.6 | I226 | Q224-I226 PolarHBondContact O-N 2.84Š|
| 225 | S | 33.5 | Very low | 51.7 | Low | 64 Ų | 64 | 82.3 Ų | 82.3 | 45% | 0.448 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -75.9 | 118 | 159.3 | 67.3 | 0 | 0 | 0 | 0 | 108.1 | R222 R227 | R222-S225 PolarHBondContact O-N 3.05Å; R222-S225 PolarHBondContact O-OG 2.65Å; S225-R227 PolarHBondContact O-N 2.84Å |
| 226 | I | 36.9 | Very low | 50.1 | Low | 115 Ų | 115 | 80 Ų | 80 | 59% | 0.59 | 40% | 0.404 | S | S | * | . | trans | -61 | 82.1 | 168.2 | -58.8 | 166.8 | 0 | 0 | 0 | 106.1 | Q224 F330 | Q224-I226 PolarHBondContact O-N 2.84Å; I226-F330 WeakPolarHBondContact CG2-O 3.37Å | ||
| 227 | R | 38.6 | Very low | 49 | Very low | 171 Ų | 171 | 81.1 Ų | 81.1 | 65% | 0.645 | 41% | 0.409 | S | S | * | . | trans | -70.5 | 132.7 | 172.7 | -79.6 | -166.9 | 179.9 | -174.1 | -4.2 | 107.3 | S225 R229 | S225-R227 PolarHBondContact O-N 2.84Å; R227-R229 PolarHBondContact O-N 3.27Å | ||
| 228 | P | 35.8 | Very low | 48.1 | Very low | 43 Ų | 43 | 86.2 Ų | 86.2 | 28% | 0.279 | 44% | 0.436 | S | S | . | . | trans | -58.1 | 104.3 | 174.4 | 21.5 | -29.2 | 0 | 0 | 0 | 109.3 | A230 E327 L328 F330 | P228-A230 PolarHBondContact O-N 3.23Å; P228-E327 HydrophobicContact CG-CB 4.19Å; P228-E327 VanDerWaalsContact CG-OE2 3.27Å; P228-E327 WeakPolarHBondContact CG-OE2 3.27Å; P228-L328 WeakPolarHBondContact CB-O 3.05Å; P228-F330 HydrophobicContact CB-CD2 3.68Å; P228-F330 HydrophobicContact CB-CE2 3.98Å | ||
| 229 | R | 43.1 | Very low | 47.6 | Very low | 130 Ų | 130 | 90.7 Ų | 90.7 | 49% | 0.491 | 44% | 0.443 | S | S | . | . | trans | -75.4 | 120.5 | 165.1 | -77.4 | -170.1 | -179.7 | -166.4 | 1.9 | 105.8 | R227 F330 | R227-R229 PolarHBondContact O-N 3.27Å; R229-F330 WeakPolarHBondContact O-CD1 3.39Å; R229-F330 WeakPolarHBondContact O-CD2 3.09Å; R229-F330 WeakPolarHBondContact O-CE1 3.37Å; R229-F330 WeakPolarHBondContact O-CE2 3.41Å; R229-F330 VanDerWaalsContact O-CG 3.24Å; R229-F330 WeakPolarHBondContact O-CG 3.47Å; R229-F330 WeakPolarHBondContact O-CZ 3.39Å | ||
| 230 | A | 42.8 | Very low | 47.5 | Very low | 46 Ų | 46 | 87.2 Ų | 87.2 | 38% | 0.38 | 43% | 0.43 | S | S | . | . | trans | -45 | 143.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | P228 F232 P233 F330 | P228-A230 PolarHBondContact O-N 3.23Å; A230-F232 HydrophobicContact CB-CD2 3.76Å; A230-F232 HydrophobicContact CB-CE2 4.41Å; A230-F232 PolarHBondContact O-N 3.1Å; A230-P233 WeakPolarHBondContact O-CD 3.16Å; A230-F330 VanDerWaalsContact C-CZ 3.41Å | ||
| 231 | L | 46.8 | Very low | 48 | Very low | 4 Ų | 4 | 89 Ų | 89 | 2% | 0.021 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.4 | -27.4 | -178.4 | -114.3 | 113.3 | 0 | 0 | 0 | 110.4 | L234 L235 I317 L319 L328 F330 | L231-L234 PolarHBondContact O-N 2.75Å; L231-L235 HydrophobicContact CB-CD1 4.04Å; L231-L235 HydrophobicContact CB-CG 4.24Å; L231-L235 HydrophobicContact CD2-CD1 3.38Å; L231-L235 HydrophobicContact CD2-CD2 3.87Å; L231-L235 HydrophobicContact CD2-CG 3.58Å; L231-L235 HydrophobicContact CG-CD1 4.28Å; L231-L235 HydrophobicContact CG-CG 4.38Å; L231-L235 PolarHBondContact O-N 2.7Å; L231-I317 HydrophobicContact CD1-CG2 3.94Å; L231-I317 HydrophobicContact CD2-CD1 4.29Å; L231-I317 HydrophobicContact CD2-CG2 4.02Å; L231-I317 HydrophobicContact CG-CD1 4.39Å; L231-I317 HydrophobicContact CG-CG2 3.96Å; L231-L319 HydrophobicContact CD1-CD2 3Å; L231-L319 HydrophobicContact CD1-CG 4.13Å; L231-L319 HydrophobicContact CD2-CD2 3.75Å; L231-L319 HydrophobicContact CD2-CG 4.42Å; L231-L319 HydrophobicContact CG-CD2 4.07Å; L231-L328 HydrophobicContact CB-CD1 4.32Å; L231-L328 HydrophobicContact CD1-CB 4.41Å; L231-L328 HydrophobicContact CD1-CD1 3.94Å; L231-L328 HydrophobicContact CD1-CD2 4.05Å; L231-L328 HydrophobicContact CD1-CG 4.37Å; L231-F330 HydrophobicContact CB-CE1 3.53Å; L231-F330 HydrophobicContact CB-CZ 3.87Å; L231-F330 HydrophobicContact CD1-CD1 3.92Å; L231-F330 HydrophobicContact CD1-CE1 3.03Å; L231-F330 HydrophobicContact CD1-CZ 3.46Å; L231-F330 VanDerWaalsContact CD1-CZ 3.46Å; L231-F330 HydrophobicContact CG-CD1 4.14Å; L231-F330 HydrophobicContact CG-CE1 3.25Å; L231-F330 HydrophobicContact CG-CZ 3.97Å |
| 232 | F | 47.2 | Very low | 48.8 | Very low | 82 Ų | 82 | 88.5 Ų | 88.5 | 36% | 0.36 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60 | -40.6 | -163.3 | -53.5 | -63.5 | 0 | 0 | 0 | 112.9 | V104 A230 A236 L328 | V104-F232 HydrophobicContact CG2-CD1 3.78Å; V104-F232 HydrophobicContact CG2-CE1 4.03Å; A230-F232 HydrophobicContact CB-CD2 3.76Å; A230-F232 HydrophobicContact CB-CE2 4.41Å; A230-F232 PolarHBondContact O-N 3.1Å; F232-A236 WeakPolarHBondContact O-CB 3.47Å; F232-A236 PolarHBondContact O-N 3.47Å; F232-L328 HydrophobicContact CE2-CD1 4.11Å; F232-L328 HydrophobicContact CZ-CD1 4.04Å |
| 233 | P | 51.8 | Low | 49.4 | Very low | 87 Ų | 87 | 83.5 Ų | 83.5 | 57% | 0.565 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -66.4 | -35.9 | 173.5 | -20.8 | 36 | 0 | 0 | 0 | 113.2 | A230 D237 | A230-P233 WeakPolarHBondContact O-CD 3.16Å; P233-D237 WeakPolarHBondContact O-CB 3.47Å; P233-D237 PolarHBondContact O-N 3.49Å |
| 234 | L | 51.6 | Low | 50.2 | Low | 22 Ų | 22 | 80.7 Ų | 80.7 | 12% | 0.115 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -76.3 | -34.2 | 179.5 | -68.6 | 176.5 | 0 | 0 | 0 | 112.5 | L231 Y240 L300 I317 I332 | L231-L234 PolarHBondContact O-N 2.75Å; L234-Y240 HydrophobicContact CD2-CD2 4.38Å; L234-Y240 HydrophobicContact CD2-CE2 3.86Å; L234-L300 HydrophobicContact CB-CD1 3.99Å; L234-I317 HydrophobicContact CB-CD1 4.35Å; L234-I317 HydrophobicContact CD1-CD1 4.01Å; L234-I332 HydrophobicContact CD1-CD1 3.7Å; L234-I332 HydrophobicContact CD1-CG1 3.95Å |
| 235 | L | 52.9 | Low | 51.1 | Low | 52 Ų | 52 | 74 Ų | 74 | 27% | 0.272 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -74.3 | -28.6 | 173.7 | -68.2 | -176.5 | 0 | 0 | 0 | 113 | L231 I242 V298 L300 | L231-L235 HydrophobicContact CB-CD1 4.04Å; L231-L235 HydrophobicContact CB-CG 4.24Å; L231-L235 HydrophobicContact CD2-CD1 3.38Å; L231-L235 HydrophobicContact CD2-CD2 3.87Å; L231-L235 HydrophobicContact CD2-CG 3.58Å; L231-L235 HydrophobicContact CG-CD1 4.28Å; L231-L235 HydrophobicContact CG-CG 4.38Å; L231-L235 PolarHBondContact O-N 2.7Å; L235-I242 HydrophobicContact CD2-CD1 4.04Å; L235-I242 HydrophobicContact CD2-CG1 4.14Å; L235-V298 HydrophobicContact CD2-CG1 4.5Å; L235-L300 HydrophobicContact CD2-CD1 4.27Å; L235-L300 HydrophobicContact CD2-CD2 3.86Å |
| 236 | A | 51.7 | Low | 52.2 | Low | 33 Ų | 33 | 72.7 Ų | 72.7 | 27% | 0.273 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -82.4 | -20.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | V140 F232 Q238 | V140-A236 HydrophobicContact CB-CB 4.43Å; V140-A236 HydrophobicContact CG1-CB 3.47Å; V140-A236 VanDerWaalsContact CG1-CB 3.47Å; F232-A236 WeakPolarHBondContact O-CB 3.47Å; F232-A236 PolarHBondContact O-N 3.47Å; A236-Q238 PolarHBondContact O-N 2.81Å |
| 237 | D | 57.9 | Low | 53.2 | Low | 33 Ų | 33 | 71.5 Ų | 71.5 | 18% | 0.176 | 37% | 0.366 | C | S | . | . | trans | -74.8 | 115.3 | -175 | -175.7 | -15.7 | 0 | 0 | 0 | 109.9 | P233 R239 Y240 | P233-D237 WeakPolarHBondContact O-CB 3.47Å; P233-D237 PolarHBondContact O-N 3.49Å; D237-R239 PolarHBondContact O-N 3.33Å; D237-R239 WeakPolarHBondContact OD1-CB 3.38Å; D237-R239 WeakPolarHBondContact OD1-CG 3.46Å; D237-R239 PolarHBondContact OD1-N 3.45Å; D237-R239 IonicContact OD1-NE 2.84Å; D237-R239 PolarHBondContact OD1-NE 2.87Å; D237-R239 IonicContact OD2-CZ 2.94Å; D237-R239 VanDerWaalsContact OD2-CZ 3.25Å; D237-R239 IonicContact OD2-NE 3.26Å; D237-R239 PolarHBondContact OD2-NE 3.24Å; D237-R239 IonicContact OD2-NH2 2.64Å; D237-R239 PolarHBondContact OD2-NH2 3.19Å; D237-Y240 HydrophobicContact CB-CD2 3.8Å; D237-Y240 HydrophobicContact CB-CE2 4.36Å; D237-Y240 PolarHBondContact O-N 3.42Å | ||
| 238 | Q | 63.9 | Low | 54.2 | Low | 174 Ų | 174 | 63.9 Ų | 63.9 | 81% | 0.813 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -17.5 | -179.8 | -62.1 | 178.8 | 4.5 | 0 | 0 | 113.1 | A236 Y240 | A236-Q238 PolarHBondContact O-N 2.81Å; Q238-Y240 PolarHBondContact O-N 3.15Å |
| 239 | R | 58.8 | Low | 55.2 | Low | 126 Ų | 126 | 65.5 Ų | 65.5 | 48% | 0.475 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -9.1 | 172.8 | -56.6 | 177.4 | -62.8 | 175.6 | 1.9 | 112 | D237 K302 R303 | D237-R239 PolarHBondContact O-N 3.33Å; D237-R239 WeakPolarHBondContact OD1-CB 3.38Å; D237-R239 WeakPolarHBondContact OD1-CG 3.46Å; D237-R239 PolarHBondContact OD1-N 3.45Å; D237-R239 IonicContact OD1-NE 2.84Å; D237-R239 PolarHBondContact OD1-NE 2.87Å; D237-R239 IonicContact OD2-CZ 2.94Å; D237-R239 VanDerWaalsContact OD2-CZ 3.25Å; D237-R239 IonicContact OD2-NE 3.26Å; D237-R239 PolarHBondContact OD2-NE 3.24Å; D237-R239 IonicContact OD2-NH2 2.64Å; D237-R239 PolarHBondContact OD2-NH2 3.19Å; R239-K302 CarbonylContact O-C 3.59Å; R239-K302 VanDerWaalsContact O-C 3.31Å; R239-K302 WeakPolarHBondContact O-CA 3.35Å; R239-K302 WeakPolarHBondContact O-CG 3.15Å; R239-R303 PolarHBondContact O-N 3.27Å |
| 240 | Y | 62 | Low | 55.7 | Low | 34 Ų | 34 | 62.4 Ų | 62.4 | 13% | 0.133 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 136.7 | 175.2 | -64.7 | -89.5 | 0 | 0 | 0 | 110.3 | L234 D237 Q238 L300 R301 K302 C315 | L234-Y240 HydrophobicContact CD2-CD2 4.38Å; L234-Y240 HydrophobicContact CD2-CE2 3.86Å; D237-Y240 HydrophobicContact CB-CD2 3.8Å; D237-Y240 HydrophobicContact CB-CE2 4.36Å; D237-Y240 PolarHBondContact O-N 3.42Å; Q238-Y240 PolarHBondContact O-N 3.15Å; Y240-L300 HydrophobicContact CD1-CB 4.2Å; Y240-L300 HydrophobicContact CG-CD1 4.5Å; Y240-R301 CarbonylContact C-O 3.57Å; Y240-R301 WeakPolarHBondContact CA-O 3.47Å; Y240-K302 HydrophobicContact CD1-CB 3.96Å; Y240-K302 HydrophobicContact CD1-CG 4.32Å; Y240-K302 HydrophobicContact CE1-CB 3.74Å; Y240-K302 HydrophobicContact CE1-CD 4.39Å; Y240-K302 HydrophobicContact CE1-CG 3.94Å; Y240-C315 HydrophobicContact CE1-CB 4.18Å; Y240-C315 VanDerWaalsContact CE1-SG 3.59Å |
| 241 | E | 61.8 | Low | 56.3 | Low | 88 Ų | 88 | 69 Ų | 69 | 41% | 0.411 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 131.1 | 172.3 | -179.5 | 169 | 171.3 | 0 | 0 | 108.8 | V243 L300 R301 R303 | E241-V243 PolarHBondContact O-N 2.87Å; E241-V243 VanDerWaalsContact O-N 3.15Å; E241-L300 CarbonylContact O-C 3.54Å; E241-L300 WeakPolarHBondContact O-CA 2.99Å; E241-R301 PolarHBondContact N-O 2.8Å; E241-R301 PolarHBondContact O-N 3.13Å; E241-R303 HydrophobicContact CB-CG 4.19Å; E241-R303 IonicContact OE1-NH2 3.08Å; E241-R303 IonicContact OE2-CZ 2.88Å; E241-R303 VanDerWaalsContact OE2-CZ 3.28Å; E241-R303 IonicContact OE2-NE 3.05Å; E241-R303 PolarHBondContact OE2-NE 3.15Å; E241-R303 IonicContact OE2-NH2 3.44Å; E241-R303 PolarHBondContact OE2-NH2 3.33Å |
| 242 | I | 63.3 | Low | 56.9 | Low | 68 Ų | 68 | 70.5 Ų | 70.5 | 35% | 0.349 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 110.6 | 172.9 | -56.9 | 170.2 | 0 | 0 | 0 | 107.6 | F138 L235 V298 L300 | F138-I242 HydrophobicContact CD2-CD1 4.25Å; L235-I242 HydrophobicContact CD2-CD1 4.04Å; L235-I242 HydrophobicContact CD2-CG1 4.14Å; I242-V298 HydrophobicContact CG2-CG1 4.19Å; I242-L300 HydrophobicContact CB-CD2 4.11Å; I242-L300 HydrophobicContact CG1-CD2 3.54Å; I242-L300 HydrophobicContact CG2-CD2 4.46Å |
| 243 | V | 56.3 | Low | 57.2 | Low | 81 Ų | 81 | 69.9 Ų | 69.9 | 49% | 0.491 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -42.7 | 179.2 | -177.4 | 0 | 0 | 0 | 0 | 110.8 | E241 I299 R301 | E241-V243 PolarHBondContact O-N 2.87Å; E241-V243 VanDerWaalsContact O-N 3.15Å; V243-I299 HydrophobicContact CB-CB 4.47Å; V243-I299 HydrophobicContact CB-CG2 4.21Å; V243-I299 PolarHBondContact N-O 2.93Å; V243-R301 HydrophobicContact CG2-CB 3.23Å; V243-R301 HydrophobicContact CG2-CG 4.43Å |
| 244 | K | 59.1 | Low | 57.2 | Low | 56 Ų | 56 | 67 Ų | 67 | 24% | 0.243 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 137.8 | -175.4 | -147 | 173.1 | -171.1 | 179.1 | 0 | 111.1 | L246 L270 N271 A273 V298 I299 | K244-L246 HydrophobicContact CD-CD1 4.06Å; K244-L246 HydrophobicContact CD-CD2 4.25Å; K244-L246 HydrophobicContact CD-CG 4.2Å; K244-L246 HydrophobicContact CG-CD1 4.48Å; K244-L246 HydrophobicContact CG-CD2 4.33Å; K244-L246 HydrophobicContact CG-CG 4.15Å; K244-L270 PolarHBondContact NZ-O 3.26Å; K244-N271 PolarHBondContact NZ-O 3.17Å; K244-A273 HydrophobicContact CD-CB 3.54Å; K244-V298 CarbonylContact O-C 3.55Å; K244-V298 WeakPolarHBondContact O-CA 3.19Å; K244-I299 HydrophobicContact CB-CB 4.42Å; K244-I299 HydrophobicContact CB-CD1 4.3Å; K244-I299 PolarHBondContact N-O 3.14Å; K244-I299 PolarHBondContact O-N 3.26Å |
| 245 | A | 56.8 | Low | 57.2 | Low | 46 Ų | 46 | 72.9 Ų | 72.9 | 38% | 0.38 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 122.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | L297 V298 | A245-L297 CarbonylContact C-O 3.54Å; A245-L297 VanDerWaalsContact CA-O 3.29Å; A245-L297 WeakPolarHBondContact CA-O 3.44Å; A245-V298 HydrophobicContact CB-CG2 4.29Å |
| 246 | L | 57.1 | Low | 57.3 | Low | 35 Ų | 35 | 77.7 Ų | 77.7 | 18% | 0.183 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 120 | -176.6 | -65.7 | 166.6 | 0 | 0 | 0 | 108.9 | K244 L248 L270 K296 L297 | K244-L246 HydrophobicContact CD-CD1 4.06Å; K244-L246 HydrophobicContact CD-CD2 4.25Å; K244-L246 HydrophobicContact CD-CG 4.2Å; K244-L246 HydrophobicContact CG-CD1 4.48Å; K244-L246 HydrophobicContact CG-CD2 4.33Å; K244-L246 HydrophobicContact CG-CG 4.15Å; L246-L248 PolarHBondContact O-N 2.69Å; L246-L270 HydrophobicContact CB-CD1 4.43Å; L246-L270 HydrophobicContact CD1-CB 3.85Å; L246-L270 HydrophobicContact CD1-CD1 3.71Å; L246-L270 HydrophobicContact CD1-CG 4.46Å; L246-L270 HydrophobicContact CG-CD1 4.49Å; L246-K296 CarbonylContact O-C 3.55Å; L246-K296 VanDerWaalsContact O-CA 3.27Å; L246-K296 WeakPolarHBondContact O-CA 3.48Å; L246-L297 HydrophobicContact CB-CB 4.26Å; L246-L297 HydrophobicContact CD1-CD2 4.33Å; L246-L297 PolarHBondContact N-O 2.64Å; L246-L297 PolarHBondContact O-N 3.41Å |
| 247 | S | 57.7 | Low | 57.7 | Low | 90 Ų | 90 | 76.6 Ų | 76.6 | 63% | 0.629 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 117.5 | 170.4 | -62 | 0 | 0 | 0 | 0 | 108.7 | R295 | S247-R295 CarbonylContact C-O 3.52Å; S247-R295 WeakPolarHBondContact CA-O 3.28Å |
| 248 | L | 59.2 | Low | 57.6 | Low | 12 Ų | 12 | 80.4 Ų | 80.4 | 6% | 0.063 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 121.2 | 175.3 | -56.2 | 178.8 | 0 | 0 | 0 | 109.3 | L246 L257 L270 L287 R295 | L246-L248 PolarHBondContact O-N 2.69Å; L248-L257 HydrophobicContact CD2-CD2 3.84Å; L248-L270 HydrophobicContact CD2-CD1 3.49Å; L248-L270 VanDerWaalsContact CD2-CD1 3.49Å; L248-L287 HydrophobicContact CD1-CD2 4.3Å; L248-R295 HydrophobicContact CB-CB 4.07Å; L248-R295 HydrophobicContact CD1-CB 4.36Å; L248-R295 PolarHBondContact N-O 3.15Å; L248-R295 PolarHBondContact O-N 3.04Å |
| 249 | P | 57.2 | Low | 57.3 | Low | 76 Ų | 76 | 73.3 Ų | 73.3 | 49% | 0.494 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 147.9 | 172 | -14.6 | 19 | 0 | 0 | 0 | 111.9 | K251 V252 | P249-K251 PolarHBondContact O-N 3.43Å; P249-V252 HydrophobicContact CB-CG2 3.82Å; P249-V252 HydrophobicContact CG-CG2 3.59Å; P249-V252 PolarHBondContact O-N 3.13Å; P249-V252 VanDerWaalsContact O-N 3.08Å |
| 250 | P | 54.7 | Low | 57.1 | Low | 65 Ų | 65 | 71.1 Ų | 71.1 | 42% | 0.422 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -17.1 | -173.9 | 21.3 | -32.2 | 0 | 0 | 0 | 115.1 | ||
| 251 | K | 55.3 | Low | 56.8 | Low | 185 Ų | 185 | 75.3 Ų | 75.3 | 80% | 0.804 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | 8.6 | -177.8 | -64.6 | -177.2 | 178.9 | 179 | 0 | 113.8 | P249 T253 | P249-K251 PolarHBondContact O-N 3.43Å; K251-T253 PolarHBondContact O-N 2.86Å; K251-T253 VanDerWaalsContact O-N 3.14Å |
| 252 | V | 58.5 | Low | 56.4 | Low | 35 Ų | 35 | 74.6 Ų | 74.6 | 21% | 0.212 | 40% | 0.404 | C | S | . | . | trans | -73.5 | 108.6 | 177.4 | 173.2 | 0 | 0 | 0 | 0 | 109.3 | P249 K256 L257 | P249-V252 HydrophobicContact CB-CG2 3.82Å; P249-V252 HydrophobicContact CG-CG2 3.59Å; P249-V252 PolarHBondContact O-N 3.13Å; P249-V252 VanDerWaalsContact O-N 3.08Å; V252-K256 HydrophobicContact CG1-CB 4.16Å; V252-L257 HydrophobicContact CG1-CD1 4.43Å; V252-L257 HydrophobicContact CG1-CD2 3.59Å; V252-L257 HydrophobicContact CG1-CG 3.78Å | ||
| 253 | T | 53.4 | Low | 55.5 | Low | 69 Ų | 69 | 77.9 Ų | 77.9 | 42% | 0.423 | 43% | 0.43 | S | S | . | . | trans | -73.2 | 153.1 | 163.8 | 58.1 | 0 | 0 | 0 | 0 | 109.2 | K251 D255 K256 | K251-T253 PolarHBondContact O-N 2.86Å; K251-T253 VanDerWaalsContact O-N 3.14Å; T253-D255 WeakPolarHBondContact CB-OD2 3.27Å; T253-D255 PolarHBondContact O-N 2.78Å; T253-D255 VanDerWaalsContact O-N 3.11Å; T253-D255 PolarHBondContact OG1-OD2 3.42Å; T253-K256 PolarHBondContact O-N 2.71Å | ||
| 254 | L | 51.7 | Low | 55 | Low | 28 Ų | 28 | 78.8 Ų | 78.8 | 15% | 0.147 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -55.4 | -28.3 | 179.8 | -126.2 | 148.5 | 0 | 0 | 0 | 112.2 | K256 L257 V259 F283 H284 L287 | L254-K256 PolarHBondContact O-N 2.77Å; L254-L257 HydrophobicContact CG-CD1 4.44Å; L254-L257 WeakPolarHBondContact O-CA 3.05Å; L254-L257 WeakPolarHBondContact O-CB 2.89Å; L254-L257 PolarHBondContact O-N 2.75Å; L254-V259 HydrophobicContact CD2-CB 4.28Å; L254-V259 HydrophobicContact CD2-CG2 3.75Å; L254-F283 HydrophobicContact CD1-CD1 4.09Å; L254-F283 HydrophobicContact CD1-CE1 4.33Å; L254-F283 HydrophobicContact CD2-CD1 3.81Å; L254-F283 HydrophobicContact CD2-CE1 3.74Å; L254-F283 HydrophobicContact CG-CD1 4.18Å; L254-F283 HydrophobicContact CG-CE1 3.99Å; L254-H284 HydrophobicContact CD1-CB 3.8Å; L254-L287 HydrophobicContact CD1-CB 4.3Å; L254-L287 HydrophobicContact CD1-CD1 3.38Å; L254-L287 HydrophobicContact CD1-CG 4.4Å; L254-L287 HydrophobicContact CD2-CD1 4.39Å; L254-L287 HydrophobicContact CG-CD1 3.45Å; L254-L287 VanDerWaalsContact CG-CD1 3.45Å |
| 255 | D | 51.9 | Low | 54.1 | Low | 144 Ų | 144 | 77.8 Ų | 77.8 | 77% | 0.77 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -65.8 | -15.6 | 178.4 | -21.3 | -51.5 | 0 | 0 | 0 | 112.9 | T253 | T253-D255 WeakPolarHBondContact CB-OD2 3.27Å; T253-D255 PolarHBondContact O-N 2.78Å; T253-D255 VanDerWaalsContact O-N 3.11Å; T253-D255 PolarHBondContact OG1-OD2 3.42Å |
| 256 | K | 55.1 | Low | 53.5 | Low | 153 Ų | 153 | 75.6 Ų | 75.6 | 67% | 0.665 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -100 | -1.6 | 172.5 | -60.6 | -175.7 | -179.8 | -173.6 | 0 | 112.9 | V252 T253 L254 | V252-K256 HydrophobicContact CG1-CB 4.16Å; T253-K256 PolarHBondContact O-N 2.71Å; L254-K256 PolarHBondContact O-N 2.77Å |
| 257 | L | 59.4 | Low | 53.3 | Low | 11 Ų | 11 | 73.9 Ų | 73.9 | 6% | 0.058 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -98.4 | 119.7 | 171.6 | -57.8 | 177.5 | 0 | 0 | 0 | 106.8 | L248 V252 L254 V259 L270 F283 L287 | L248-L257 HydrophobicContact CD2-CD2 3.84Å; V252-L257 HydrophobicContact CG1-CD1 4.43Å; V252-L257 HydrophobicContact CG1-CD2 3.59Å; V252-L257 HydrophobicContact CG1-CG 3.78Å; L254-L257 HydrophobicContact CG-CD1 4.44Å; L254-L257 WeakPolarHBondContact O-CA 3.05Å; L254-L257 WeakPolarHBondContact O-CB 2.89Å; L254-L257 PolarHBondContact O-N 2.75Å; L257-V259 VanDerWaalsContact C-N 3.27Å; L257-V259 HydrophobicContact CB-CG2 3.73Å; L257-V259 PolarHBondContact O-N 2.73Å; L257-L270 HydrophobicContact CB-CD2 4.47Å; L257-L270 HydrophobicContact CB-CG 4.46Å; L257-L270 HydrophobicContact CD2-CD1 3.51Å; L257-L270 HydrophobicContact CD2-CD2 3.53Å; L257-L270 HydrophobicContact CD2-CG 3.57Å; L257-F283 HydrophobicContact CD1-CE1 3.99Å; L257-F283 HydrophobicContact CD1-CZ 4.02Å; L257-L287 HydrophobicContact CD1-CD1 3.85Å |
| 258 | D | 57 | Low | 53.2 | Low | 112 Ų | 112 | 70.3 Ų | 70.3 | 60% | 0.599 | 39% | 0.385 | S | S | * | . | trans | -65 | 95 | 167.6 | -71.3 | -27.7 | 0 | 0 | 0 | 107.9 | V269 L270 | D258-V269 CarbonylContact O-C 3.5Å; D258-V269 VanDerWaalsContact O-CA 3.27Å; D258-V269 WeakPolarHBondContact O-CA 3.24Å; D258-L270 PolarHBondContact O-N 3.49Å | ||
| 259 | V | 57.8 | Low | 53.2 | Low | 25 Ų | 25 | 69.8 Ų | 69.8 | 15% | 0.152 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 99.1 | 177 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | L254 L257 L267 T268 V269 F283 | L254-V259 HydrophobicContact CD2-CB 4.28Å; L254-V259 HydrophobicContact CD2-CG2 3.75Å; L257-V259 VanDerWaalsContact C-N 3.27Å; L257-V259 HydrophobicContact CB-CG2 3.73Å; L257-V259 PolarHBondContact O-N 2.73Å; V259-L267 HydrophobicContact CG1-CB 4.28Å; V259-L267 HydrophobicContact CG1-CD1 4.44Å; V259-L267 HydrophobicContact CG1-CD2 3.7Å; V259-L267 HydrophobicContact CG1-CG 4.36Å; V259-T268 CarbonylContact C-O 3.48Å; V259-T268 WeakPolarHBondContact CA-O 3.06Å; V259-V269 HydrophobicContact CG1-CG2 4.3Å; V259-V269 HydrophobicContact CG2-CB 4.49Å; V259-V269 HydrophobicContact CG2-CG1 4.19Å; V259-V269 HydrophobicContact CG2-CG2 4.1Å; V259-F283 HydrophobicContact CG2-CD1 4.46Å; V259-F283 HydrophobicContact CG2-CE1 3.85Å |
| 260 | T | 54.6 | Low | 53.1 | Low | 80 Ų | 80 | 67.8 Ų | 67.8 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 128.1 | 174.5 | 43.1 | 0 | 0 | 0 | 0 | 110.2 | L267 T268 | T260-L267 CarbonylContact O-C 3.53Å; T260-L267 WeakPolarHBondContact O-CA 3.1Å; T260-T268 PolarHBondContact N-O 2.79Å; T260-T268 PolarHBondContact O-N 2.78Å; T260-T268 WeakPolarHBondContact OG1-CB 3.02Å |
| 261 | E | 55.1 | Low | 52.9 | Low | 123 Ų | 123 | 71.5 Ų | 71.5 | 58% | 0.575 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 124.9 | 171.8 | -165.3 | 163.2 | -168.5 | 0 | 0 | 108.5 | G266 L267 | E261-G266 CarbonylContact C-O 3.42Å; E261-G266 WeakPolarHBondContact CA-O 2.9Å; E261-L267 HydrophobicContact CB-CD2 4.26Å; E261-L267 HydrophobicContact CG-CD2 4.41Å |
| 262 | Q | 53.2 | Low | 52.4 | Low | 73 Ų | 73 | 65.6 Ų | 65.6 | 34% | 0.341 | 38% | 0.375 | S | S | . | . | trans | -81.9 | 148.7 | 175.7 | -70.6 | -74.9 | -13.8 | 0 | 0 | 108.6 | N264 G265 G266 T268 | Q262-N264 WeakPolarHBondContact CB-OD1 3Å; Q262-N264 PolarHBondContact O-N 2.73Å; Q262-G265 PolarHBondContact O-N 3.43Å; Q262-G266 PolarHBondContact N-O 3.16Å; Q262-T268 WeakPolarHBondContact CG-OG1 3.33Å; Q262-T268 PolarHBondContact NE2-OG1 3.37Å | ||
| 263 | P | 45 | Very low | 51.9 | Low | 137 Ų | 137 | 64.3 Ų | 64.3 | 89% | 0.89 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -15.5 | -179.5 | 21.3 | -31.1 | 0 | 0 | 0 | 113.9 | G265 | P263-G265 VanDerWaalsContact C-N 3.33Š|
| 264 | N | 45.2 | Very low | 51.4 | Low | 99 Ų | 99 | 63.1 Ų | 63.1 | 53% | 0.529 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 11.5 | 173.7 | 67.6 | -1.3 | 0 | 0 | 0 | 114.3 | Q262 G266 | Q262-N264 WeakPolarHBondContact CB-OD1 3Å; Q262-N264 PolarHBondContact O-N 2.73Å; N264-G266 VanDerWaalsContact C-N 3.29Å; N264-G266 PolarHBondContact O-N 3.44Å; N264-G266 PolarHBondContact OD1-N 3.1Å; N264-G266 VanDerWaalsContact OD1-N 3.08Å |
| 265 | G | 40.5 | Very low | 51.4 | Low | 35 Ų | 35 | 61.8 Ų | 61.8 | 36% | 0.361 | 36% | 0.355 | S | S | . | . | S | Bend | trans | 75.9 | 11.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q262 P263 | Q262-G265 PolarHBondContact O-N 3.43Å; P263-G265 VanDerWaalsContact C-N 3.33Å |
| 266 | G | 44.3 | Very low | 51.1 | Low | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | trans | -84.2 | 160 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E261 Q262 N264 | E261-G266 CarbonylContact C-O 3.42Å; E261-G266 WeakPolarHBondContact CA-O 2.9Å; Q262-G266 PolarHBondContact N-O 3.16Å; N264-G266 VanDerWaalsContact C-N 3.29Å; N264-G266 PolarHBondContact O-N 3.44Å; N264-G266 PolarHBondContact OD1-N 3.1Å; N264-G266 VanDerWaalsContact OD1-N 3.08Å | ||
| 267 | L | 52.9 | Low | 50.7 | Low | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 114.6 | 171.7 | -69.7 | 170.7 | 0 | 0 | 0 | 110.2 | V259 T260 E261 V269 C274 C275 M278 K280 F283 | V259-L267 HydrophobicContact CG1-CB 4.28Å; V259-L267 HydrophobicContact CG1-CD1 4.44Å; V259-L267 HydrophobicContact CG1-CD2 3.7Å; V259-L267 HydrophobicContact CG1-CG 4.36Å; T260-L267 CarbonylContact O-C 3.53Å; T260-L267 WeakPolarHBondContact O-CA 3.1Å; E261-L267 HydrophobicContact CB-CD2 4.26Å; E261-L267 HydrophobicContact CG-CD2 4.41Å; L267-V269 HydrophobicContact CB-CG2 4.18Å; L267-V269 PolarHBondContact O-N 2.81Å; L267-C274 CarbonylContact O-C 3.45Å; L267-C275 HydrophobicContact CB-CB 4.21Å; L267-C275 PolarHBondContact N-O 3.11Å; L267-C275 VanDerWaalsContact O-CA 3.3Å; L267-C275 WeakPolarHBondContact O-CA 3.46Å; L267-C275 WeakPolarHBondContact O-CB 3.43Å; L267-C275 PolarHBondContact O-N 3.46Å; L267-M278 HydrophobicContact CD1-CB 4.04Å; L267-M278 HydrophobicContact CD1-CG 4.18Å; L267-M278 WeakPolarHBondContact CD1-O 3.14Å; L267-M278 WeakPolarHBondContact CG-O 3.11Å; L267-K280 HydrophobicContact CD2-CB 4Å; L267-F283 HydrophobicContact CD1-CB 3.69Å; L267-F283 HydrophobicContact CD1-CG 4.16Å |
| 268 | T | 55.6 | Low | 50.4 | Low | 15 Ų | 15 | 50.1 Ų | 50.1 | 9% | 0.092 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 112.2 | 165.3 | -56 | 0 | 0 | 0 | 0 | 109.2 | V259 T260 Q262 A273 | V259-T268 CarbonylContact C-O 3.48Å; V259-T268 WeakPolarHBondContact CA-O 3.06Å; T260-T268 PolarHBondContact N-O 2.79Å; T260-T268 PolarHBondContact O-N 2.78Å; T260-T268 WeakPolarHBondContact OG1-CB 3.02Å; Q262-T268 WeakPolarHBondContact CG-OG1 3.33Å; Q262-T268 PolarHBondContact NE2-OG1 3.37Å; T268-A273 CarbonylContact C-O 3.48Å; T268-A273 WeakPolarHBondContact CA-O 3.39Å |
| 269 | V | 59.2 | Low | 50.5 | Low | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 130.6 | 178.6 | -177 | 0 | 0 | 0 | 0 | 108.8 | D258 V259 L267 A273 C275 F283 L297 | D258-V269 CarbonylContact O-C 3.5Å; D258-V269 VanDerWaalsContact O-CA 3.27Å; D258-V269 WeakPolarHBondContact O-CA 3.24Å; V259-V269 HydrophobicContact CG1-CG2 4.3Å; V259-V269 HydrophobicContact CG2-CB 4.49Å; V259-V269 HydrophobicContact CG2-CG1 4.19Å; V259-V269 HydrophobicContact CG2-CG2 4.1Å; L267-V269 HydrophobicContact CB-CG2 4.18Å; L267-V269 PolarHBondContact O-N 2.81Å; V269-A273 PolarHBondContact N-O 2.81Å; V269-A273 WeakPolarHBondContact O-CA 3.44Å; V269-A273 WeakPolarHBondContact O-CB 3.38Å; V269-A273 PolarHBondContact O-N 3.48Å; V269-A273 VanDerWaalsContact O-N 3.15Å; V269-C275 HydrophobicContact CG2-CB 4.32Å; V269-F283 HydrophobicContact CG1-CE2 4.38Å; V269-F283 HydrophobicContact CG1-CZ 3.83Å; V269-F283 HydrophobicContact CG2-CE1 4.47Å; V269-F283 HydrophobicContact CG2-CE2 4Å; V269-F283 HydrophobicContact CG2-CZ 3.98Å; V269-L297 HydrophobicContact CG1-CD2 4.41Å |
| 270 | L | 55.5 | Low | 50.7 | Low | 35 Ų | 35 | 53 Ų | 53 | 18% | 0.183 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 95.6 | 165.7 | -73.6 | 175.2 | 0 | 0 | 0 | 115.8 | K244 L246 L248 L257 D258 G272 | K244-L270 PolarHBondContact NZ-O 3.26Å; L246-L270 HydrophobicContact CB-CD1 4.43Å; L246-L270 HydrophobicContact CD1-CB 3.85Å; L246-L270 HydrophobicContact CD1-CD1 3.71Å; L246-L270 HydrophobicContact CD1-CG 4.46Å; L246-L270 HydrophobicContact CG-CD1 4.49Å; L248-L270 HydrophobicContact CD2-CD1 3.49Å; L248-L270 VanDerWaalsContact CD2-CD1 3.49Å; L257-L270 HydrophobicContact CB-CD2 4.47Å; L257-L270 HydrophobicContact CB-CG 4.46Å; L257-L270 HydrophobicContact CD2-CD1 3.51Å; L257-L270 HydrophobicContact CD2-CD2 3.53Å; L257-L270 HydrophobicContact CD2-CG 3.57Å; D258-L270 PolarHBondContact O-N 3.49Å; L270-G272 PolarHBondContact O-N 3.33Å |
| 271 | N | 49.1 | Very low | 51.1 | Low | 142 Ų | 142 | 57 Ų | 57 | 76% | 0.759 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 53 | 174.2 | -68.2 | -14.2 | 0 | 0 | 0 | 112.2 | K244 A273 | K244-N271 PolarHBondContact NZ-O 3.17Å; N271-A273 PolarHBondContact O-N 3.13Å |
| 272 | G | 45.2 | Very low | 51.5 | Low | 61 Ų | 61 | 54.6 Ų | 54.6 | 63% | 0.629 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | 10.5 | 170 | 0 | 0 | 0 | 0 | 0 | 116.7 | L270 C274 | L270-G272 PolarHBondContact O-N 3.33Å; G272-C274 PolarHBondContact O-N 2.8Å; G272-C274 VanDerWaalsContact O-N 3.12Å |
| 273 | A | 47.5 | Very low | 52.1 | Low | 9 Ų | 9 | 51.1 Ų | 51.1 | 7% | 0.074 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 98.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | K244 T268 V269 N271 C275 I299 | K244-A273 HydrophobicContact CD-CB 3.54Å; T268-A273 CarbonylContact C-O 3.48Å; T268-A273 WeakPolarHBondContact CA-O 3.39Å; V269-A273 PolarHBondContact N-O 2.81Å; V269-A273 WeakPolarHBondContact O-CA 3.44Å; V269-A273 WeakPolarHBondContact O-CB 3.38Å; V269-A273 PolarHBondContact O-N 3.48Å; V269-A273 VanDerWaalsContact O-N 3.15Å; N271-A273 PolarHBondContact O-N 3.13Å; A273-C275 PolarHBondContact O-N 3.2Å; A273-I299 HydrophobicContact CB-CD1 3.5Å; A273-I299 VanDerWaalsContact CB-CD1 3.5Å |
| 274 | C | 43.7 | Very low | 53 | Low | 43 Ų | 43 | 49.2 Ų | 49.2 | 29% | 0.291 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 113.1 | 178 | -159.5 | 0 | 0 | 0 | 0 | 110.8 | L267 G272 V276 L314 | L267-C274 CarbonylContact O-C 3.45Å; G272-C274 PolarHBondContact O-N 2.8Å; G272-C274 VanDerWaalsContact O-N 3.12Å; C274-V276 HydrophobicContact CB-CG2 4.44Å; C274-V276 VanDerWaalsContact SG-CG2 3.59Å; C274-L314 WeakPolarHBondContact O-CD2 3.17Å |
| 275 | C | 50.6 | Low | 53.9 | Low | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 79.1 | 169.2 | -65.1 | 0 | 0 | 0 | 0 | 109.1 | L267 V269 A273 M278 I316 | L267-C275 HydrophobicContact CB-CB 4.21Å; L267-C275 PolarHBondContact N-O 3.11Å; L267-C275 VanDerWaalsContact O-CA 3.3Å; L267-C275 WeakPolarHBondContact O-CA 3.46Å; L267-C275 WeakPolarHBondContact O-CB 3.43Å; L267-C275 PolarHBondContact O-N 3.46Å; V269-C275 HydrophobicContact CG2-CB 4.32Å; A273-C275 PolarHBondContact O-N 3.2Å; C275-M278 HydrophobicContact CB-CE 4.26Å; C275-I316 HydrophobicContact CB-CD1 3.44Å; C275-I316 VanDerWaalsContact CB-CD1 3.44Å; C275-I316 HydrophobicContact CB-CG1 3.9Å |
| 276 | V | 45.6 | Very low | 55 | Low | 31 Ų | 31 | 45.7 Ų | 45.7 | 19% | 0.188 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 135.4 | 179.7 | -172.6 | 0 | 0 | 0 | 0 | 110.7 | C274 L314 F337 | C274-V276 HydrophobicContact CB-CG2 4.44Å; C274-V276 VanDerWaalsContact SG-CG2 3.59Å; V276-L314 HydrophobicContact CB-CD2 4.26Å; V276-L314 HydrophobicContact CG2-CD2 4.41Å; V276-L314 VanDerWaalsContact N-CD2 3.26Å; V276-F337 HydrophobicContact CG1-CD1 4.07Å; V276-F337 HydrophobicContact CG1-CD2 3.96Å; V276-F337 HydrophobicContact CG1-CE1 4.09Å; V276-F337 HydrophobicContact CG1-CE2 3.97Å; V276-F337 HydrophobicContact CG1-CG 4.03Å; V276-F337 HydrophobicContact CG1-CZ 4.06Å |
| 277 | G | 46.8 | Very low | 56 | Low | 31 Ų | 31 | 46.1 Ų | 46.1 | 32% | 0.32 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 13.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 278 | M | 54.6 | Low | 56.5 | Low | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | trans | -112.1 | 126.1 | 172.6 | -167.2 | 169.6 | -10.7 | 0 | 0 | 109 | L267 C275 Y282 F283 L286 I316 F318 L333 | L267-M278 HydrophobicContact CD1-CB 4.04Å; L267-M278 HydrophobicContact CD1-CG 4.18Å; L267-M278 WeakPolarHBondContact CD1-O 3.14Å; L267-M278 WeakPolarHBondContact CG-O 3.11Å; C275-M278 HydrophobicContact CB-CE 4.26Å; M278-Y282 HydrophobicContact CG-CD1 3.7Å; M278-Y282 HydrophobicContact CG-CG 4.48Å; M278-Y282 HydrophobicContact SD-CD1 3.9Å; M278-Y282 HydrophobicContact SD-CE1 4.48Å; M278-F283 HydrophobicContact CE-CD2 4.1Å; M278-F283 HydrophobicContact CG-CB 4.05Å; M278-F283 HydrophobicContact SD-CB 3.67Å; M278-F283 HydrophobicContact SD-CD2 3.59Å; M278-F283 VanDerWaalsContact SD-CD2 3.59Å; M278-F283 HydrophobicContact SD-CG 4.13Å; M278-L286 HydrophobicContact SD-CD1 4.03Å; M278-I316 HydrophobicContact CE-CB 3.92Å; M278-I316 HydrophobicContact CE-CD1 3.58Å; M278-I316 HydrophobicContact CE-CG1 4.2Å; M278-I316 HydrophobicContact CE-CG2 3.77Å; M278-F318 HydrophobicContact CE-CE2 3.79Å; M278-F318 HydrophobicContact CE-CZ 4.04Å; M278-F318 HydrophobicContact SD-CE2 4.04Å; M278-F318 HydrophobicContact SD-CZ 4.11Å; M278-L333 HydrophobicContact CB-CD1 3.66Å; M278-L333 HydrophobicContact CE-CD1 3.92Å; M278-L333 HydrophobicContact CG-CD1 3.74Å; M278-L333 HydrophobicContact SD-CD1 4.12Å | ||
| 279 | T | 58.2 | Low | 56.9 | Low | 78 Ų | 78 | 56.4 Ų | 56.4 | 48% | 0.479 | 30% | 0.303 | S | S | . | . | trans | -75.3 | 150.2 | 173.3 | 64.5 | 0 | 0 | 0 | 0 | 110.1 | Q281 Y282 F283 | T279-Q281 PolarHBondContact O-N 2.88Å; T279-Q281 VanDerWaalsContact O-N 3.14Å; T279-Y282 PolarHBondContact O-N 3.19Å; T279-Y282 WeakPolarHBondContact OG1-CB 3.08Å; T279-Y282 PolarHBondContact OG1-N 3.11Å; T279-Y282 VanDerWaalsContact OG1-N 3.13Å; T279-F283 PolarHBondContact O-N 3.04Å | ||
| 280 | K | 62.2 | Low | 56.8 | Low | 118 Ų | 118 | 57.1 Ų | 57.1 | 51% | 0.513 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -53 | -37.4 | 175.6 | -173.4 | 176.6 | 179.2 | 176.1 | 0 | 111.5 | L267 H284 | L267-K280 HydrophobicContact CD2-CB 4Å; K280-H284 VanDerWaalsContact O-CB 3.25Å; K280-H284 WeakPolarHBondContact O-CB 3.27Å; K280-H284 PolarHBondContact O-N 3.49Å |
| 281 | Q | 64 | Low | 56.8 | Low | 165 Ų | 165 | 64.5 Ų | 64.5 | 77% | 0.771 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.3 | -43.6 | 176.4 | -66.8 | -178.9 | -7.8 | 0 | 0 | 112.7 | T279 H284 S285 | T279-Q281 PolarHBondContact O-N 2.88Å; T279-Q281 VanDerWaalsContact O-N 3.14Å; Q281-H284 PolarHBondContact O-N 3.35Å; Q281-S285 WeakPolarHBondContact O-CB 3.24Å; Q281-S285 PolarHBondContact O-N 2.85Å |
| 282 | Y | 62.6 | Low | 57.1 | Low | 73 Ų | 73 | 60.8 Ų | 60.8 | 29% | 0.286 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.2 | -43 | 177.8 | -172.9 | -97.2 | 0 | 0 | 0 | 111.5 | M278 T279 H284 S285 L286 L333 | M278-Y282 HydrophobicContact CG-CD1 3.7Å; M278-Y282 HydrophobicContact CG-CG 4.48Å; M278-Y282 HydrophobicContact SD-CD1 3.9Å; M278-Y282 HydrophobicContact SD-CE1 4.48Å; T279-Y282 PolarHBondContact O-N 3.19Å; T279-Y282 WeakPolarHBondContact OG1-CB 3.08Å; T279-Y282 PolarHBondContact OG1-N 3.11Å; T279-Y282 VanDerWaalsContact OG1-N 3.13Å; Y282-H284 VanDerWaalsContact C-N 3.3Å; Y282-H284 PolarHBondContact O-N 2.75Å; Y282-S285 WeakPolarHBondContact O-CB 3.49Å; Y282-S285 PolarHBondContact O-N 2.84Å; Y282-S285 VanDerWaalsContact O-N 3.15Å; Y282-L286 HydrophobicContact CD1-CD1 3.7Å; Y282-L286 HydrophobicContact CD1-CG 4.19Å; Y282-L286 HydrophobicContact CE1-CD1 3.35Å; Y282-L286 HydrophobicContact CE1-CD2 4.47Å; Y282-L286 HydrophobicContact CE1-CG 3.91Å; Y282-L286 PolarHBondContact O-N 2.81Å; Y282-L333 HydrophobicContact CD1-CD1 4.34Å; Y282-L333 HydrophobicContact CD1-CD2 4.49Å; Y282-L333 HydrophobicContact CE1-CD1 4.13Å; Y282-L333 HydrophobicContact CE1-CD2 3.89Å; Y282-L333 HydrophobicContact CE1-CG 4.26Å |
| 283 | F | 65.3 | Low | 57.7 | Low | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.7 | -44.4 | 172.5 | -175.4 | -101.3 | 0 | 0 | 0 | 111.1 | L254 L257 V259 L267 V269 M278 T279 S285 L286 L287 F318 | L254-F283 HydrophobicContact CD1-CD1 4.09Å; L254-F283 HydrophobicContact CD1-CE1 4.33Å; L254-F283 HydrophobicContact CD2-CD1 3.81Å; L254-F283 HydrophobicContact CD2-CE1 3.74Å; L254-F283 HydrophobicContact CG-CD1 4.18Å; L254-F283 HydrophobicContact CG-CE1 3.99Å; L257-F283 HydrophobicContact CD1-CE1 3.99Å; L257-F283 HydrophobicContact CD1-CZ 4.02Å; V259-F283 HydrophobicContact CG2-CD1 4.46Å; V259-F283 HydrophobicContact CG2-CE1 3.85Å; L267-F283 HydrophobicContact CD1-CB 3.69Å; L267-F283 HydrophobicContact CD1-CG 4.16Å; V269-F283 HydrophobicContact CG1-CE2 4.38Å; V269-F283 HydrophobicContact CG1-CZ 3.83Å; V269-F283 HydrophobicContact CG2-CE1 4.47Å; V269-F283 HydrophobicContact CG2-CE2 4Å; V269-F283 HydrophobicContact CG2-CZ 3.98Å; M278-F283 HydrophobicContact CE-CD2 4.1Å; M278-F283 HydrophobicContact CG-CB 4.05Å; M278-F283 HydrophobicContact SD-CB 3.67Å; M278-F283 HydrophobicContact SD-CD2 3.59Å; M278-F283 VanDerWaalsContact SD-CD2 3.59Å; M278-F283 HydrophobicContact SD-CG 4.13Å; T279-F283 PolarHBondContact O-N 3.04Å; F283-S285 PolarHBondContact O-N 3.49Å; F283-L286 PolarHBondContact O-N 3.12Å; F283-L287 HydrophobicContact CD1-CD1 3.65Å; F283-L287 HydrophobicContact CD1-CG 4.36Å; F283-L287 HydrophobicContact CE1-CD1 3.16Å; F283-L287 HydrophobicContact CE1-CG 4.1Å; F283-L287 HydrophobicContact CE2-CD1 4.46Å; F283-L287 HydrophobicContact CG-CD1 4.48Å; F283-L287 HydrophobicContact CZ-CD1 3.62Å; F283-L287 HydrophobicContact CZ-CD2 4.45Å; F283-L287 HydrophobicContact CZ-CG 4.25Å; F283-L287 WeakPolarHBondContact O-CG 3.44Å; F283-L287 PolarHBondContact O-N 2.65Å; F283-F318 HydrophobicContact CD2-CE1 4.22Å; F283-F318 AromaticContact CD2-CZ 3.59Å; F283-F318 HydrophobicContact CD2-CZ 3.59Å; F283-F318 AromaticContact CE2-CE1 3.78Å; F283-F318 HydrophobicContact CE2-CE1 3.78Å; F283-F318 AromaticContact CE2-CZ 3.52Å; F283-F318 HydrophobicContact CE2-CZ 3.52Å |
| 284 | H | 65.1 | Low | 58.1 | Low | 97 Ų | 97 | 65.4 Ų | 65.4 | 45% | 0.449 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 174.3 | -176.2 | -79.1 | 0 | 0 | 0 | 112.1 | L254 K280 Q281 Y282 L286 L287 T288 | L254-H284 HydrophobicContact CD1-CB 3.8Å; K280-H284 VanDerWaalsContact O-CB 3.25Å; K280-H284 WeakPolarHBondContact O-CB 3.27Å; K280-H284 PolarHBondContact O-N 3.49Å; Q281-H284 PolarHBondContact O-N 3.35Å; Y282-H284 VanDerWaalsContact C-N 3.3Å; Y282-H284 PolarHBondContact O-N 2.75Å; H284-L286 VanDerWaalsContact C-N 3.34Å; H284-L286 PolarHBondContact O-N 3.27Å; H284-L287 PolarHBondContact O-N 3.25Å; H284-T288 WeakPolarHBondContact CE1-CG2 3.29Å; H284-T288 WeakPolarHBondContact O-CG2 3.47Å; H284-T288 PolarHBondContact O-N 2.98Å; H284-T288 PolarHBondContact O-OG1 3.31Å; H284-T288 VanDerWaalsContact O-OG1 3.13Å |
| 285 | S | 64 | Low | 59 | Low | 44 Ų | 44 | 64.2 Ų | 64.2 | 31% | 0.308 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 176.5 | -172.5 | 0 | 0 | 0 | 0 | 112.7 | Q281 Y282 F283 T288 R289 | Q281-S285 WeakPolarHBondContact O-CB 3.24Å; Q281-S285 PolarHBondContact O-N 2.85Å; Y282-S285 WeakPolarHBondContact O-CB 3.49Å; Y282-S285 PolarHBondContact O-N 2.84Å; Y282-S285 VanDerWaalsContact O-N 3.15Å; F283-S285 PolarHBondContact O-N 3.49Å; S285-T288 WeakPolarHBondContact CA-OG1 3.32Å; S285-T288 PolarHBondContact O-N 2.76Å; S285-T288 PolarHBondContact O-OG1 3.07Å; S285-R289 WeakPolarHBondContact O-CB 3.28Å; S285-R289 VanDerWaalsContact O-CG 3.32Å; S285-R289 WeakPolarHBondContact O-CG 3.07Å; S285-R289 PolarHBondContact O-N 3.06Å |
| 286 | L | 63 | Low | 59.4 | Low | 15 Ų | 15 | 69.2 Ų | 69.2 | 8% | 0.079 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 174.4 | -74.6 | 175.5 | 0 | 0 | 0 | 112.1 | M278 Y282 F283 H284 T290 F318 S331 | M278-L286 HydrophobicContact SD-CD1 4.03Å; Y282-L286 HydrophobicContact CD1-CD1 3.7Å; Y282-L286 HydrophobicContact CD1-CG 4.19Å; Y282-L286 HydrophobicContact CE1-CD1 3.35Å; Y282-L286 HydrophobicContact CE1-CD2 4.47Å; Y282-L286 HydrophobicContact CE1-CG 3.91Å; Y282-L286 PolarHBondContact O-N 2.81Å; F283-L286 PolarHBondContact O-N 3.12Å; H284-L286 VanDerWaalsContact C-N 3.34Å; H284-L286 PolarHBondContact O-N 3.27Å; L286-T290 VanDerWaalsContact O-CG2 3.28Å; L286-T290 WeakPolarHBondContact O-CG2 3.38Å; L286-T290 PolarHBondContact O-OG1 3.21Å; L286-F318 HydrophobicContact CD1-CD2 3.83Å; L286-F318 HydrophobicContact CD1-CE2 3.46Å; L286-F318 VanDerWaalsContact CD1-CE2 3.46Å; L286-F318 HydrophobicContact CD1-CZ 4.04Å; L286-S331 WeakPolarHBondContact CD2-OG 3.2Å |
| 287 | L | 64.5 | Low | 60.3 | Low | 9 Ų | 9 | 67.8 Ų | 67.8 | 5% | 0.047 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -72.4 | -30.9 | 177.3 | -69.1 | 179.9 | 0 | 0 | 0 | 113.1 | L248 L254 L257 F283 H284 T290 R295 F318 | L248-L287 HydrophobicContact CD1-CD2 4.3Å; L254-L287 HydrophobicContact CD1-CB 4.3Å; L254-L287 HydrophobicContact CD1-CD1 3.38Å; L254-L287 HydrophobicContact CD1-CG 4.4Å; L254-L287 HydrophobicContact CD2-CD1 4.39Å; L254-L287 HydrophobicContact CG-CD1 3.45Å; L254-L287 VanDerWaalsContact CG-CD1 3.45Å; L257-L287 HydrophobicContact CD1-CD1 3.85Å; F283-L287 HydrophobicContact CD1-CD1 3.65Å; F283-L287 HydrophobicContact CD1-CG 4.36Å; F283-L287 HydrophobicContact CE1-CD1 3.16Å; F283-L287 HydrophobicContact CE1-CG 4.1Å; F283-L287 HydrophobicContact CE2-CD1 4.46Å; F283-L287 HydrophobicContact CG-CD1 4.48Å; F283-L287 HydrophobicContact CZ-CD1 3.62Å; F283-L287 HydrophobicContact CZ-CD2 4.45Å; F283-L287 HydrophobicContact CZ-CG 4.25Å; F283-L287 WeakPolarHBondContact O-CG 3.44Å; F283-L287 PolarHBondContact O-N 2.65Å; H284-L287 PolarHBondContact O-N 3.25Å; L287-T290 WeakPolarHBondContact CA-OG1 3.45Å; L287-T290 PolarHBondContact O-OG1 2.97Å; L287-T290 VanDerWaalsContact O-OG1 3.11Å; L287-R295 VanDerWaalsContact O-CZ 3.26Å; L287-R295 PolarHBondContact O-NH1 2.99Å; L287-R295 VanDerWaalsContact O-NH1 3.1Å; L287-R295 PolarHBondContact O-NH2 2.85Å; L287-F318 HydrophobicContact CD2-CE1 4.2Å |
| 288 | T | 64.9 | Low | 61 | Low | 45 Ų | 45 | 66.8 Ų | 66.8 | 28% | 0.276 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -73.5 | -38.2 | 174.9 | 51.2 | 0 | 0 | 0 | 0 | 111.8 | H284 S285 T290 R291 | H284-T288 WeakPolarHBondContact CE1-CG2 3.29Å; H284-T288 WeakPolarHBondContact O-CG2 3.47Å; H284-T288 PolarHBondContact O-N 2.98Å; H284-T288 PolarHBondContact O-OG1 3.31Å; H284-T288 VanDerWaalsContact O-OG1 3.13Å; S285-T288 WeakPolarHBondContact CA-OG1 3.32Å; S285-T288 PolarHBondContact O-N 2.76Å; S285-T288 PolarHBondContact O-OG1 3.07Å; T288-T290 PolarHBondContact O-N 3.49Å; T288-T290 VanDerWaalsContact O-N 3.07Å; T288-R291 WeakPolarHBondContact O-CG 3.31Å; T288-R291 PolarHBondContact O-N 3.5Å |
| 289 | R | 62.5 | Low | 61.3 | Low | 186 Ų | 186 | 66.8 Ų | 66.8 | 70% | 0.702 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -59.1 | -19.2 | 174.7 | -81.1 | 177.9 | 174.1 | -177.8 | -0.8 | 114.1 | S285 | S285-R289 WeakPolarHBondContact O-CB 3.28Å; S285-R289 VanDerWaalsContact O-CG 3.32Å; S285-R289 WeakPolarHBondContact O-CG 3.07Å; S285-R289 PolarHBondContact O-N 3.06Å |
| 290 | T | 57.4 | Low | 61.5 | Low | 16 Ų | 16 | 63.1 Ų | 63.1 | 10% | 0.098 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | 15.6 | -171.4 | 52.9 | 0 | 0 | 0 | 0 | 112.5 | L286 L287 T288 G292 R295 I320 | L286-T290 VanDerWaalsContact O-CG2 3.28Å; L286-T290 WeakPolarHBondContact O-CG2 3.38Å; L286-T290 PolarHBondContact O-OG1 3.21Å; L287-T290 WeakPolarHBondContact CA-OG1 3.45Å; L287-T290 PolarHBondContact O-OG1 2.97Å; L287-T290 VanDerWaalsContact O-OG1 3.11Å; T288-T290 PolarHBondContact O-N 3.49Å; T288-T290 VanDerWaalsContact O-N 3.07Å; T290-G292 PolarHBondContact O-N 2.83Å; T290-R295 PolarHBondContact O-NE 3.1Å; T290-R295 PolarHBondContact O-NH2 3.08Å; T290-R295 PolarHBondContact OG1-NE 3.44Å; T290-R295 VanDerWaalsContact OG1-NE 3.11Å; T290-R295 PolarHBondContact OG1-NH1 3.33Å; T290-R295 PolarHBondContact OG1-NH2 2.91Å; T290-I320 HydrophobicContact CG2-CD1 3.24Å; T290-I320 HydrophobicContact CG2-CG1 3.39Å |
| 291 | R | 56.6 | Low | 61.4 | Low | 189 Ų | 189 | 63.5 Ų | 63.5 | 71% | 0.713 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 133.9 | -177.5 | -86.2 | 178 | 175 | -176.9 | -0.2 | 112.2 | T288 R295 | T288-R291 WeakPolarHBondContact O-CG 3.31Å; T288-R291 PolarHBondContact O-N 3.5Å; R291-R295 VanDerWaalsContact CA-NH2 3.35Å |
| 292 | G | 55.9 | Low | 61.3 | Low | 64 Ų | 64 | 57.9 Ų | 57.9 | 66% | 0.66 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.4 | -1.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | T290 | T290-G292 PolarHBondContact O-N 2.83Š|
| 293 | R | 57.4 | Low | 61.1 | Low | 104 Ų | 104 | 61 Ų | 61 | 39% | 0.392 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -117.9 | 146.2 | -177.1 | -59 | -179.3 | -171.7 | -130 | 3.7 | 111.2 | R295 I320 F322 | R293-R295 WeakPolarHBondContact O-CG 3.32Å; R293-I320 HydrophobicContact CB-CG2 4.35Å; R293-F322 VanDerWaalsContact CZ-CE1 3.45Å |
| 294 | S | 56.2 | Low | 60.6 | Low | 63 Ų | 63 | 63.5 Ų | 63.5 | 44% | 0.441 | 30% | 0.302 | S | S | . | . | trans | -57.9 | 145.3 | 167.3 | 49.9 | 0 | 0 | 0 | 0 | 108.3 | P321 | S294-P321 WeakPolarHBondContact O-CD 3.42Å; S294-P321 WeakPolarHBondContact O-CG 3.07Å; S294-P321 WeakPolarHBondContact OG-CG 3.47Å | ||
| 295 | R | 61.3 | Low | 59.8 | Low | 19 Ų | 19 | 67 Ų | 67 | 7% | 0.072 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 149.6 | -178.3 | -38.5 | 175.4 | -176.5 | 168.3 | -8.4 | 108.4 | S247 L248 L287 T290 R291 R293 | S247-R295 CarbonylContact C-O 3.52Å; S247-R295 WeakPolarHBondContact CA-O 3.28Å; L248-R295 HydrophobicContact CB-CB 4.07Å; L248-R295 HydrophobicContact CD1-CB 4.36Å; L248-R295 PolarHBondContact N-O 3.15Å; L248-R295 PolarHBondContact O-N 3.04Å; L287-R295 VanDerWaalsContact O-CZ 3.26Å; L287-R295 PolarHBondContact O-NH1 2.99Å; L287-R295 VanDerWaalsContact O-NH1 3.1Å; L287-R295 PolarHBondContact O-NH2 2.85Å; T290-R295 PolarHBondContact O-NE 3.1Å; T290-R295 PolarHBondContact O-NH2 3.08Å; T290-R295 PolarHBondContact OG1-NE 3.44Å; T290-R295 VanDerWaalsContact OG1-NE 3.11Å; T290-R295 PolarHBondContact OG1-NH1 3.33Å; T290-R295 PolarHBondContact OG1-NH2 2.91Å; R291-R295 VanDerWaalsContact CA-NH2 3.35Å; R293-R295 WeakPolarHBondContact O-CG 3.32Å |
| 296 | K | 60.3 | Low | 58.7 | Low | 105 Ų | 105 | 74.4 Ų | 74.4 | 46% | 0.457 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 115.7 | 165 | -66.5 | 177.5 | 178.8 | 179.2 | 0 | 107.6 | L246 L319 | L246-K296 CarbonylContact O-C 3.55Å; L246-K296 VanDerWaalsContact O-CA 3.27Å; L246-K296 WeakPolarHBondContact O-CA 3.48Å; K296-L319 CarbonylContact C-O 3.47Å; K296-L319 HydrophobicContact CB-CB 3.81Å; K296-L319 HydrophobicContact CB-CD1 3.65Å; K296-L319 HydrophobicContact CB-CG 4.27Å; K296-L319 HydrophobicContact CD-CD1 4.25Å; K296-L319 PolarHBondContact N-O 3.14Å; K296-L319 CarbonylContact O-C 3.45Å; K296-L319 VanDerWaalsContact O-CA 3.24Å; K296-L319 WeakPolarHBondContact O-CA 3.44Å; K296-L319 WeakPolarHBondContact O-CB 3.37Å; K296-L319 PolarHBondContact O-N 2.89Å |
| 297 | L | 63.6 | Low | 57.4 | Low | 1 Ų | 1 | 78.6 Ų | 78.6 | 1% | 0.005 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 119.9 | 172.1 | 179.8 | 64.4 | 0 | 0 | 0 | 108 | A245 L246 V269 I299 I316 F318 | A245-L297 CarbonylContact C-O 3.54Å; A245-L297 VanDerWaalsContact CA-O 3.29Å; A245-L297 WeakPolarHBondContact CA-O 3.44Å; L246-L297 HydrophobicContact CB-CB 4.26Å; L246-L297 HydrophobicContact CD1-CD2 4.33Å; L246-L297 PolarHBondContact N-O 2.64Å; L246-L297 PolarHBondContact O-N 3.41Å; V269-L297 HydrophobicContact CG1-CD2 4.41Å; L297-I299 HydrophobicContact CG-CG1 4.32Å; L297-I316 HydrophobicContact CD1-CG2 3.62Å; L297-F318 HydrophobicContact CD1-CD1 3.59Å; L297-F318 HydrophobicContact CD1-CD2 4.15Å; L297-F318 HydrophobicContact CD1-CE1 3.51Å; L297-F318 HydrophobicContact CD1-CE2 4.06Å; L297-F318 HydrophobicContact CD1-CG 3.92Å; L297-F318 HydrophobicContact CD1-CZ 3.75Å |
| 298 | V | 61.1 | Low | 56.1 | Low | 9 Ų | 9 | 87.4 Ų | 87.4 | 6% | 0.055 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 115.5 | 175.5 | 178.4 | 0 | 0 | 0 | 0 | 108.8 | L235 I242 K244 A245 L300 I317 L319 | L235-V298 HydrophobicContact CD2-CG1 4.5Å; I242-V298 HydrophobicContact CG2-CG1 4.19Å; K244-V298 CarbonylContact O-C 3.55Å; K244-V298 WeakPolarHBondContact O-CA 3.19Å; A245-V298 HydrophobicContact CB-CG2 4.29Å; V298-L300 HydrophobicContact CG1-CD2 3.77Å; V298-L300 HydrophobicContact CG1-CG 4.37Å; V298-I317 CarbonylContact C-O 3.31Å; V298-I317 WeakPolarHBondContact CA-O 3.3Å; V298-I317 HydrophobicContact CB-CB 4.32Å; V298-I317 PolarHBondContact N-O 2.88Å; V298-I317 CarbonylContact O-C 3.59Å; V298-I317 VanDerWaalsContact O-CA 3.28Å; V298-I317 WeakPolarHBondContact O-CA 3.36Å; V298-I317 VanDerWaalsContact O-CB 3.32Å; V298-I317 WeakPolarHBondContact O-CB 3.43Å; V298-I317 PolarHBondContact O-N 3.13Å; V298-L319 HydrophobicContact CG2-CD1 3.3Å; V298-L319 HydrophobicContact CG2-CG 3.82Å |
| 299 | I | 62 | Low | 54.7 | Low | 3 Ų | 3 | 89.5 Ų | 89.5 | 2% | 0.015 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 118.9 | 176.5 | -57.8 | 171.1 | 0 | 0 | 0 | 107.2 | V243 K244 A273 L297 L314 I316 | V243-I299 HydrophobicContact CB-CB 4.47Å; V243-I299 HydrophobicContact CB-CG2 4.21Å; V243-I299 PolarHBondContact N-O 2.93Å; K244-I299 HydrophobicContact CB-CB 4.42Å; K244-I299 HydrophobicContact CB-CD1 4.3Å; K244-I299 PolarHBondContact N-O 3.14Å; K244-I299 PolarHBondContact O-N 3.26Å; A273-I299 HydrophobicContact CB-CD1 3.5Å; A273-I299 VanDerWaalsContact CB-CD1 3.5Å; L297-I299 HydrophobicContact CG-CG1 4.32Å; I299-L314 HydrophobicContact CG2-CD1 3.87Å; I299-L314 HydrophobicContact CG2-CD2 4.43Å; I299-L314 HydrophobicContact CG2-CG 4.29Å; I299-I316 HydrophobicContact CG1-CG2 4.36Å; I299-I316 HydrophobicContact CG2-CG1 4.43Å |
| 300 | L | 61.3 | Low | 53.6 | Low | 1 Ų | 1 | 87.3 Ų | 87.3 | 1% | 0.005 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 139.5 | 171 | -56.6 | -170.7 | 0 | 0 | 0 | 109.6 | L234 L235 Y240 E241 I242 V298 C315 I317 | L234-L300 HydrophobicContact CB-CD1 3.99Å; L235-L300 HydrophobicContact CD2-CD1 4.27Å; L235-L300 HydrophobicContact CD2-CD2 3.86Å; Y240-L300 HydrophobicContact CD1-CB 4.2Å; Y240-L300 HydrophobicContact CG-CD1 4.5Å; E241-L300 CarbonylContact O-C 3.54Å; E241-L300 WeakPolarHBondContact O-CA 2.99Å; I242-L300 HydrophobicContact CB-CD2 4.11Å; I242-L300 HydrophobicContact CG1-CD2 3.54Å; I242-L300 HydrophobicContact CG2-CD2 4.46Å; V298-L300 HydrophobicContact CG1-CD2 3.77Å; V298-L300 HydrophobicContact CG1-CG 4.37Å; L300-C315 CarbonylContact C-O 3.59Å; L300-C315 WeakPolarHBondContact CA-O 3.46Å; L300-C315 HydrophobicContact CB-CB 4.22Å; L300-C315 WeakPolarHBondContact CB-O 3.37Å; L300-C315 PolarHBondContact N-O 3Å; L300-C315 CarbonylContact O-C 3.57Å; L300-C315 PolarHBondContact O-N 2.96Å; L300-I317 HydrophobicContact CD1-CD1 3.27Å; L300-I317 HydrophobicContact CD1-CG1 4.2Å; L300-I317 HydrophobicContact CG-CD1 3.72Å; L300-I317 HydrophobicContact CG-CG1 4.21Å |
| 301 | R | 60.7 | Low | 52.9 | Low | 126 Ų | 126 | 87.7 Ų | 87.7 | 48% | 0.475 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 127.8 | 167.9 | 174.2 | 178 | -174.2 | -177.1 | 3.6 | 108.2 | Y240 E241 V243 R303 S312 L314 | Y240-R301 CarbonylContact C-O 3.57Å; Y240-R301 WeakPolarHBondContact CA-O 3.47Å; E241-R301 PolarHBondContact N-O 2.8Å; E241-R301 PolarHBondContact O-N 3.13Å; V243-R301 HydrophobicContact CG2-CB 3.23Å; V243-R301 HydrophobicContact CG2-CG 4.43Å; R301-R303 PolarHBondContact O-N 3.28Å; R301-S312 PolarHBondContact NH2-OG 2.71Å; R301-S312 VanDerWaalsContact NH2-OG 3.13Å; R301-L314 HydrophobicContact CB-CD1 4.22Å |
| 302 | K | 61.6 | Low | 52.4 | Low | 46 Ų | 46 | 80.7 Ų | 80.7 | 20% | 0.2 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 118.2 | 168.8 | -164.3 | -178.1 | 178.1 | -171.3 | 0 | 108 | R239 Y240 S304 R313 | R239-K302 CarbonylContact O-C 3.59Å; R239-K302 VanDerWaalsContact O-C 3.31Å; R239-K302 WeakPolarHBondContact O-CA 3.35Å; R239-K302 WeakPolarHBondContact O-CG 3.15Å; Y240-K302 HydrophobicContact CD1-CB 3.96Å; Y240-K302 HydrophobicContact CD1-CG 4.32Å; Y240-K302 HydrophobicContact CE1-CB 3.74Å; Y240-K302 HydrophobicContact CE1-CD 4.39Å; Y240-K302 HydrophobicContact CE1-CG 3.94Å; K302-S304 PolarHBondContact O-N 2.77Å; K302-R313 HydrophobicContact CB-CB 4.04Å; K302-R313 WeakPolarHBondContact CB-O 3.32Å; K302-R313 HydrophobicContact CD-CB 4Å; K302-R313 HydrophobicContact CD-CG 4.36Å; K302-R313 PolarHBondContact N-O 2.97Å |
| 303 | R | 58.7 | Low | 52.2 | Low | 138 Ų | 138 | 80.7 Ų | 80.7 | 52% | 0.521 | 40% | 0.403 | S | S | . | . | trans | -61.4 | 99.3 | 160.5 | -68.1 | -176.4 | 171.2 | 177.2 | -2.2 | 106.7 | R239 E241 R301 Q305 | R239-R303 PolarHBondContact O-N 3.27Å; E241-R303 HydrophobicContact CB-CG 4.19Å; E241-R303 IonicContact OE1-NH2 3.08Å; E241-R303 IonicContact OE2-CZ 2.88Å; E241-R303 VanDerWaalsContact OE2-CZ 3.28Å; E241-R303 IonicContact OE2-NE 3.05Å; E241-R303 PolarHBondContact OE2-NE 3.15Å; E241-R303 IonicContact OE2-NH2 3.44Å; E241-R303 PolarHBondContact OE2-NH2 3.33Å; R301-R303 PolarHBondContact O-N 3.28Å; R303-Q305 PolarHBondContact O-N 2.88Å | ||
| 304 | S | 54.5 | Low | 52 | Low | 53 Ų | 53 | 77 Ų | 77 | 37% | 0.371 | 39% | 0.391 | S | S | . | . | trans | -63.8 | 121.6 | 164.1 | 50.5 | 0 | 0 | 0 | 0 | 106.8 | K302 Q306 E310 | K302-S304 PolarHBondContact O-N 2.77Å; S304-Q306 PolarHBondContact O-N 2.8Å; S304-E310 WeakPolarHBondContact CB-O 3.44Å; S304-E310 PolarHBondContact OG-O 3.42Å | ||
| 305 | Q | 48.7 | Very low | 51.8 | Low | 171 Ų | 171 | 74.1 Ų | 74.1 | 80% | 0.799 | 37% | 0.371 | S | S | * | . | trans | -60.6 | 123.5 | 165.6 | -100.1 | 174.8 | -24.1 | 0 | 0 | 106.2 | R303 V307 | R303-Q305 PolarHBondContact O-N 2.88Å; Q305-V307 PolarHBondContact O-N 2.88Å | ||
| 306 | Q | 39.5 | Very low | 51.4 | Low | 200 Ų | 200 | 73.2 Ų | 73.2 | 94% | 0.935 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -68.5 | 73.4 | -176.2 | -156.8 | 175.5 | 17.7 | 0 | 0 | 109.2 | S304 | S304-Q306 PolarHBondContact O-N 2.8Š|
| 307 | V | 37.5 | Very low | 51.1 | Low | 102 Ų | 102 | 68.3 Ų | 68.3 | 62% | 0.618 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -126.1 | 98.8 | 172.1 | -173.9 | 0 | 0 | 0 | 0 | 104.8 | Q305 | Q305-V307 PolarHBondContact O-N 2.88Š|
| 308 | F | 36.8 | Very low | 50.6 | Low | 195 Ų | 195 | 68.8 Ų | 68.8 | 86% | 0.855 | 35% | 0.348 | S | S | * | . | S | Bend | trans | 52.2 | 89.8 | 172.2 | -75.2 | -92.8 | 0 | 0 | 0 | 116.6 | E310 | F308-E310 PolarHBondContact O-N 2.85Å; F308-E310 VanDerWaalsContact O-N 3.13Å |
| 309 | G | 35.9 | Very low | 50.2 | Low | 89 Ų | 89 | 69.9 Ų | 69.9 | 92% | 0.918 | 35% | 0.353 | S | S | * | . | S | Bend | trans | 72 | 10.4 | 147.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||
| 310 | E | 38.6 | Very low | 49.6 | Very low | 139 Ų | 139 | 70.3 Ų | 70.3 | 65% | 0.65 | 36% | 0.356 | S | S | * | . | trans | -112.3 | 121.8 | -170.8 | -75.9 | -172.8 | 158.7 | 0 | 0 | 116.8 | S304 F308 | S304-E310 WeakPolarHBondContact CB-O 3.44Å; S304-E310 PolarHBondContact OG-O 3.42Å; F308-E310 PolarHBondContact O-N 2.85Å; F308-E310 VanDerWaalsContact O-N 3.13Å | ||
| 311 | V | 43.4 | Very low | 48.8 | Very low | 24 Ų | 24 | 72.9 Ų | 72.9 | 15% | 0.145 | 37% | 0.372 | C | S | . | . | trans | 40 | 97.9 | 131.9 | -177.6 | 0 | 0 | 0 | 0 | 117 | R313 F337 Y338 | V311-R313 HydrophobicContact CG1-CG 4.01Å; V311-R313 PolarHBondContact O-N 2.73Å; V311-R313 VanDerWaalsContact O-N 3.17Å; V311-F337 WeakPolarHBondContact CA-O 3.25Å; V311-F337 WeakPolarHBondContact CB-O 3.36Å; V311-F337 VanDerWaalsContact CG1-N 3.29Å; V311-F337 WeakPolarHBondContact CG1-O 3.47Å; V311-F337 VanDerWaalsContact CG2-O 3.31Å; V311-F337 WeakPolarHBondContact CG2-O 3.18Å; V311-Y338 HydrophobicContact CG2-CD1 3.95Å; V311-Y338 HydrophobicContact CG2-CE1 4.11Å; V311-Y338 HydrophobicContact CG2-CG 4.23Å | ||
| 312 | S | 46.2 | Very low | 48.2 | Very low | 42 Ų | 42 | 70 Ų | 70 | 29% | 0.294 | 36% | 0.364 | S | S | . | . | trans | -71.6 | 103.8 | 162.7 | -75.9 | 0 | 0 | 0 | 0 | 109.7 | R301 L314 | R301-S312 PolarHBondContact NH2-OG 2.71Å; R301-S312 VanDerWaalsContact NH2-OG 3.13Å; S312-L314 PolarHBondContact O-N 3.12Å | ||
| 313 | R | 50.8 | Low | 47.1 | Very low | 65 Ų | 65 | 71.2 Ų | 71.2 | 25% | 0.245 | 38% | 0.378 | C | S | . | . | trans | -76 | 122.8 | 170.2 | -61.5 | -169.4 | -175.5 | -178.3 | -3.5 | 110.3 | K302 V311 D334 D336 | K302-R313 HydrophobicContact CB-CB 4.04Å; K302-R313 WeakPolarHBondContact CB-O 3.32Å; K302-R313 HydrophobicContact CD-CB 4Å; K302-R313 HydrophobicContact CD-CG 4.36Å; K302-R313 PolarHBondContact N-O 2.97Å; V311-R313 HydrophobicContact CG1-CG 4.01Å; V311-R313 PolarHBondContact O-N 2.73Å; V311-R313 VanDerWaalsContact O-N 3.17Å; R313-D334 IonicContact NH1-OD1 2.69Å; R313-D334 PolarHBondContact NH1-OD1 2.96Å; R313-D336 IonicContact CZ-OD1 2.81Å; R313-D336 IonicContact CZ-OD2 2.73Å; R313-D336 IonicContact NE-OD1 2.68Å; R313-D336 PolarHBondContact NE-OD1 3.08Å; R313-D336 VanDerWaalsContact NH2-CG 3.34Å; R313-D336 IonicContact NH2-OD1 3Å; R313-D336 PolarHBondContact NH2-OD1 3.43Å; R313-D336 IonicContact NH2-OD2 3.25Å; R313-D336 PolarHBondContact NH2-OD2 2.9Å | ||
| 314 | L | 52.4 | Low | 46.2 | Very low | 27 Ų | 27 | 70.9 Ų | 70.9 | 14% | 0.141 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 127.6 | 173.2 | -169.3 | 82.8 | 0 | 0 | 0 | 109.5 | C274 V276 I299 R301 S312 I316 | C274-L314 WeakPolarHBondContact O-CD2 3.17Å; V276-L314 HydrophobicContact CB-CD2 4.26Å; V276-L314 HydrophobicContact CG2-CD2 4.41Å; V276-L314 VanDerWaalsContact N-CD2 3.26Å; I299-L314 HydrophobicContact CG2-CD1 3.87Å; I299-L314 HydrophobicContact CG2-CD2 4.43Å; I299-L314 HydrophobicContact CG2-CG 4.29Å; R301-L314 HydrophobicContact CB-CD1 4.22Å; S312-L314 PolarHBondContact O-N 3.12Å; L314-I316 HydrophobicContact CD2-CD1 3.91Å; L314-I316 HydrophobicContact CD2-CG1 3.95Å; L314-I316 HydrophobicContact CG-CG1 4.4Å |
| 315 | C | 52.8 | Low | 45.5 | Very low | 1 Ų | 1 | 74.9 Ų | 74.9 | 1% | 0.007 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 110 | 174.4 | -71 | 0 | 0 | 0 | 0 | 109.8 | Y240 L300 | Y240-C315 HydrophobicContact CE1-CB 4.18Å; Y240-C315 VanDerWaalsContact CE1-SG 3.59Å; L300-C315 CarbonylContact C-O 3.59Å; L300-C315 WeakPolarHBondContact CA-O 3.46Å; L300-C315 HydrophobicContact CB-CB 4.22Å; L300-C315 WeakPolarHBondContact CB-O 3.37Å; L300-C315 PolarHBondContact N-O 3Å; L300-C315 CarbonylContact O-C 3.57Å; L300-C315 PolarHBondContact O-N 2.96Å |
| 316 | I | 53.5 | Low | 45 | Very low | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.005 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 120.8 | 175.5 | -56.9 | 127.7 | 0 | 0 | 0 | 108.6 | C275 M278 L297 I299 L314 F318 | C275-I316 HydrophobicContact CB-CD1 3.44Å; C275-I316 VanDerWaalsContact CB-CD1 3.44Å; C275-I316 HydrophobicContact CB-CG1 3.9Å; M278-I316 HydrophobicContact CE-CB 3.92Å; M278-I316 HydrophobicContact CE-CD1 3.58Å; M278-I316 HydrophobicContact CE-CG1 4.2Å; M278-I316 HydrophobicContact CE-CG2 3.77Å; L297-I316 HydrophobicContact CD1-CG2 3.62Å; I299-I316 HydrophobicContact CG1-CG2 4.36Å; I299-I316 HydrophobicContact CG2-CG1 4.43Å; L314-I316 HydrophobicContact CD2-CD1 3.91Å; L314-I316 HydrophobicContact CD2-CG1 3.95Å; L314-I316 HydrophobicContact CG-CG1 4.4Å; I316-F318 HydrophobicContact CG2-CD2 4.41Å; I316-F318 HydrophobicContact CG2-CE2 3.9Å; I316-F318 HydrophobicContact CG2-CZ 4.39Å |
| 317 | I | 54.6 | Low | 44.9 | Very low | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.01 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 122.5 | 178.1 | -56.8 | -174.9 | 0 | 0 | 0 | 109.3 | L231 L234 V298 L300 F330 | L231-I317 HydrophobicContact CD1-CG2 3.94Å; L231-I317 HydrophobicContact CD2-CD1 4.29Å; L231-I317 HydrophobicContact CD2-CG2 4.02Å; L231-I317 HydrophobicContact CG-CD1 4.39Å; L231-I317 HydrophobicContact CG-CG2 3.96Å; L234-I317 HydrophobicContact CB-CD1 4.35Å; L234-I317 HydrophobicContact CD1-CD1 4.01Å; V298-I317 CarbonylContact C-O 3.31Å; V298-I317 WeakPolarHBondContact CA-O 3.3Å; V298-I317 HydrophobicContact CB-CB 4.32Å; V298-I317 PolarHBondContact N-O 2.88Å; V298-I317 CarbonylContact O-C 3.59Å; V298-I317 VanDerWaalsContact O-CA 3.28Å; V298-I317 WeakPolarHBondContact O-CA 3.36Å; V298-I317 VanDerWaalsContact O-CB 3.32Å; V298-I317 WeakPolarHBondContact O-CB 3.43Å; V298-I317 PolarHBondContact O-N 3.13Å; L300-I317 HydrophobicContact CD1-CD1 3.27Å; L300-I317 HydrophobicContact CD1-CG1 4.2Å; L300-I317 HydrophobicContact CG-CD1 3.72Å; L300-I317 HydrophobicContact CG-CG1 4.21Å; I317-F330 HydrophobicContact CG2-CD1 4.09Å |
| 318 | F | 52.7 | Low | 45.1 | Very low | 10 Ų | 10 | 67.3 Ų | 67.3 | 4% | 0.044 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 110.9 | 167.7 | -68.6 | -98.1 | 0 | 0 | 0 | 109.1 | M278 F283 L286 L287 L297 I316 I320 | M278-F318 HydrophobicContact CE-CE2 3.79Å; M278-F318 HydrophobicContact CE-CZ 4.04Å; M278-F318 HydrophobicContact SD-CE2 4.04Å; M278-F318 HydrophobicContact SD-CZ 4.11Å; F283-F318 HydrophobicContact CD2-CE1 4.22Å; F283-F318 AromaticContact CD2-CZ 3.59Å; F283-F318 HydrophobicContact CD2-CZ 3.59Å; F283-F318 AromaticContact CE2-CE1 3.78Å; F283-F318 HydrophobicContact CE2-CE1 3.78Å; F283-F318 AromaticContact CE2-CZ 3.52Å; F283-F318 HydrophobicContact CE2-CZ 3.52Å; L286-F318 HydrophobicContact CD1-CD2 3.83Å; L286-F318 HydrophobicContact CD1-CE2 3.46Å; L286-F318 VanDerWaalsContact CD1-CE2 3.46Å; L286-F318 HydrophobicContact CD1-CZ 4.04Å; L287-F318 HydrophobicContact CD2-CE1 4.2Å; L297-F318 HydrophobicContact CD1-CD1 3.59Å; L297-F318 HydrophobicContact CD1-CD2 4.15Å; L297-F318 HydrophobicContact CD1-CE1 3.51Å; L297-F318 HydrophobicContact CD1-CE2 4.06Å; L297-F318 HydrophobicContact CD1-CG 3.92Å; L297-F318 HydrophobicContact CD1-CZ 3.75Å; I316-F318 HydrophobicContact CG2-CD2 4.41Å; I316-F318 HydrophobicContact CG2-CE2 3.9Å; I316-F318 HydrophobicContact CG2-CZ 4.39Å; F318-I320 HydrophobicContact CB-CD1 4.48Å |
| 319 | L | 51.5 | Low | 45.2 | Very low | 32 Ų | 32 | 63.7 Ų | 63.7 | 17% | 0.168 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 120.9 | 160.3 | -58.6 | 166.1 | 0 | 0 | 0 | 108.4 | L231 K296 V298 L328 | L231-L319 HydrophobicContact CD1-CD2 3Å; L231-L319 HydrophobicContact CD1-CG 4.13Å; L231-L319 HydrophobicContact CD2-CD2 3.75Å; L231-L319 HydrophobicContact CD2-CG 4.42Å; L231-L319 HydrophobicContact CG-CD2 4.07Å; K296-L319 CarbonylContact C-O 3.47Å; K296-L319 HydrophobicContact CB-CB 3.81Å; K296-L319 HydrophobicContact CB-CD1 3.65Å; K296-L319 HydrophobicContact CB-CG 4.27Å; K296-L319 HydrophobicContact CD-CD1 4.25Å; K296-L319 PolarHBondContact N-O 3.14Å; K296-L319 CarbonylContact O-C 3.45Å; K296-L319 VanDerWaalsContact O-CA 3.24Å; K296-L319 WeakPolarHBondContact O-CA 3.44Å; K296-L319 WeakPolarHBondContact O-CB 3.37Å; K296-L319 PolarHBondContact O-N 2.89Å; V298-L319 HydrophobicContact CG2-CD1 3.3Å; V298-L319 HydrophobicContact CG2-CG 3.82Å; L319-L328 HydrophobicContact CD2-CD2 3.68Å |
| 320 | I | 49.2 | Very low | 45.7 | Very low | 12 Ų | 12 | 60 Ų | 60 | 6% | 0.062 | 31% | 0.312 | C | S | . | . | trans | -106.8 | 108.9 | 161.3 | -58.1 | 121 | 0 | 0 | 0 | 105.9 | T290 R293 F318 F322 F329 | T290-I320 HydrophobicContact CG2-CD1 3.24Å; T290-I320 HydrophobicContact CG2-CG1 3.39Å; R293-I320 HydrophobicContact CB-CG2 4.35Å; F318-I320 HydrophobicContact CB-CD1 4.48Å; I320-F322 VanDerWaalsContact C-N 3.29Å; I320-F322 HydrophobicContact CG2-CD2 4.16Å; I320-F322 PolarHBondContact O-N 3.36Å; I320-F329 HydrophobicContact CD1-CB 3.71Å | ||
| 321 | P | 45 | Very low | 45.7 | Very low | 55 Ų | 55 | 54.1 Ų | 54.1 | 36% | 0.357 | 29% | 0.287 | S | S | . | . | trans | -60.6 | 97.2 | 165.4 | 25.4 | -34.1 | 0 | 0 | 0 | 108.7 | S294 | S294-P321 WeakPolarHBondContact O-CD 3.42Å; S294-P321 WeakPolarHBondContact O-CG 3.07Å; S294-P321 WeakPolarHBondContact OG-CG 3.47Å | ||
| 322 | F | 48.9 | Very low | 45.8 | Very low | 67 Ų | 67 | 55.8 Ų | 55.8 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | trans | -83.2 | 158.3 | 150 | -109.9 | -110.5 | 0 | 0 | 0 | 107.3 | R293 I320 Q326 | R293-F322 VanDerWaalsContact CZ-CE1 3.45Å; I320-F322 VanDerWaalsContact C-N 3.29Å; I320-F322 HydrophobicContact CG2-CD2 4.16Å; I320-F322 PolarHBondContact O-N 3.36Å; F322-Q326 HydrophobicContact CB-CB 4.5Å; F322-Q326 HydrophobicContact CD1-CB 4.39Å | ||
| 323 | S | 38.5 | Very low | 45.8 | Very low | 71 Ų | 71 | 55.7 Ų | 55.7 | 50% | 0.497 | 29% | 0.29 | S | S | . | . | trans | -30.6 | 150.8 | 177.2 | -156.8 | 0 | 0 | 0 | 0 | 114.8 | D325 Q326 | S323-D325 PolarHBondContact O-N 2.96Å; S323-Q326 PolarHBondContact O-N 3.18Å; S323-Q326 VanDerWaalsContact O-N 3.1Å | ||
| 324 | P | 39.6 | Very low | 45.4 | Very low | 131 Ų | 131 | 57.3 Ų | 57.3 | 85% | 0.851 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.8 | -17.3 | 177.2 | 13.9 | -31 | 0 | 0 | 0 | 116.3 | ||
| 325 | D | 39.7 | Very low | 44.7 | Very low | 136 Ų | 136 | 57 Ų | 57 | 73% | 0.727 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.8 | 10.1 | -172.6 | -49.6 | -49.9 | 0 | 0 | 0 | 115.5 | S323 | S323-D325 PolarHBondContact O-N 2.96Š|
| 326 | Q | 38.2 | Very low | 43.6 | Very low | 126 Ų | 126 | 61.6 Ų | 61.6 | 59% | 0.589 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -138.1 | 144.4 | -177.8 | -71.2 | -167.8 | -15.8 | 0 | 0 | 116 | F322 S323 | F322-Q326 HydrophobicContact CB-CB 4.5Å; F322-Q326 HydrophobicContact CD1-CB 4.39Å; S323-Q326 PolarHBondContact O-N 3.18Å; S323-Q326 VanDerWaalsContact O-N 3.1Å |
| 327 | E | 37.2 | Very low | 42.5 | Very low | 142 Ų | 142 | 64.6 Ų | 64.6 | 66% | 0.664 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -47.9 | 132.4 | -168.3 | -62.5 | -177.7 | 149.7 | 0 | 0 | 115.1 | P228 F329 | P228-E327 HydrophobicContact CG-CB 4.19Å; P228-E327 VanDerWaalsContact CG-OE2 3.27Å; P228-E327 WeakPolarHBondContact CG-OE2 3.27Å; E327-F329 PolarHBondContact O-N 2.91Å |
| 328 | L | 41.8 | Very low | 41.1 | Very low | 47 Ų | 47 | 73.6 Ų | 73.6 | 25% | 0.246 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 132.3 | 167.4 | -72.8 | 157.8 | 0 | 0 | 0 | 109.2 | P228 L231 F232 L319 F330 | P228-L328 WeakPolarHBondContact CB-O 3.05Å; L231-L328 HydrophobicContact CB-CD1 4.32Å; L231-L328 HydrophobicContact CD1-CB 4.41Å; L231-L328 HydrophobicContact CD1-CD1 3.94Å; L231-L328 HydrophobicContact CD1-CD2 4.05Å; L231-L328 HydrophobicContact CD1-CG 4.37Å; F232-L328 HydrophobicContact CE2-CD1 4.11Å; F232-L328 HydrophobicContact CZ-CD1 4.04Å; L319-L328 HydrophobicContact CD2-CD2 3.68Å; L328-F330 VanDerWaalsContact C-CE2 3.44Å; L328-F330 HydrophobicContact CB-CD2 4.24Å; L328-F330 HydrophobicContact CB-CE1 4.32Å; L328-F330 HydrophobicContact CB-CE2 3.22Å; L328-F330 HydrophobicContact CB-CZ 3.23Å; L328-F330 HydrophobicContact CD1-CZ 3.9Å; L328-F330 HydrophobicContact CG-CZ 4.16Å; L328-F330 WeakPolarHBondContact O-CD2 3.08Å; L328-F330 WeakPolarHBondContact O-CE2 3.32Å |
| 329 | F | 39.7 | Very low | 39.9 | Very low | 118 Ų | 118 | 82.7 Ų | 82.7 | 52% | 0.518 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -86.3 | 141.7 | 170 | -80.6 | -89.5 | 0 | 0 | 0 | 110 | I320 E327 | I320-F329 HydrophobicContact CD1-CB 3.71Å; E327-F329 PolarHBondContact O-N 2.91Å |
| 330 | F | 44.6 | Very low | 39.3 | Very low | 11 Ų | 11 | 85.3 Ų | 85.3 | 5% | 0.048 | 45% | 0.449 | C | S | . | . | trans | -134 | 143 | -179 | -57.4 | -96.8 | 0 | 0 | 0 | 109.8 | I226 P228 R229 A230 L231 I317 L328 | I226-F330 WeakPolarHBondContact CG2-O 3.37Å; P228-F330 HydrophobicContact CB-CD2 3.68Å; P228-F330 HydrophobicContact CB-CE2 3.98Å; R229-F330 WeakPolarHBondContact O-CD1 3.39Å; R229-F330 WeakPolarHBondContact O-CD2 3.09Å; R229-F330 WeakPolarHBondContact O-CE1 3.37Å; R229-F330 WeakPolarHBondContact O-CE2 3.41Å; R229-F330 VanDerWaalsContact O-CG 3.24Å; R229-F330 WeakPolarHBondContact O-CG 3.47Å; R229-F330 WeakPolarHBondContact O-CZ 3.39Å; A230-F330 VanDerWaalsContact C-CZ 3.41Å; L231-F330 HydrophobicContact CB-CE1 3.53Å; L231-F330 HydrophobicContact CB-CZ 3.87Å; L231-F330 HydrophobicContact CD1-CD1 3.92Å; L231-F330 HydrophobicContact CD1-CE1 3.03Å; L231-F330 HydrophobicContact CD1-CZ 3.46Å; L231-F330 VanDerWaalsContact CD1-CZ 3.46Å; L231-F330 HydrophobicContact CG-CD1 4.14Å; L231-F330 HydrophobicContact CG-CE1 3.25Å; L231-F330 HydrophobicContact CG-CZ 3.97Å; I317-F330 HydrophobicContact CG2-CD1 4.09Å; L328-F330 VanDerWaalsContact C-CE2 3.44Å; L328-F330 HydrophobicContact CB-CD2 4.24Å; L328-F330 HydrophobicContact CB-CE1 4.32Å; L328-F330 HydrophobicContact CB-CE2 3.22Å; L328-F330 HydrophobicContact CB-CZ 3.23Å; L328-F330 HydrophobicContact CD1-CZ 3.9Å; L328-F330 HydrophobicContact CG-CZ 4.16Å; L328-F330 WeakPolarHBondContact O-CD2 3.08Å; L328-F330 WeakPolarHBondContact O-CE2 3.32Å | ||
| 331 | S | 39.6 | Very low | 38.8 | Very low | 16 Ų | 16 | 89.1 Ų | 89.1 | 11% | 0.112 | 47% | 0.47 | C | S | . | . | trans | -131.1 | 102.9 | 160.9 | -62.5 | 0 | 0 | 0 | 0 | 105.4 | L286 L333 | L286-S331 WeakPolarHBondContact CD2-OG 3.2Å; S331-L333 PolarHBondContact O-N 3.11Å | ||
| 332 | I | 46.1 | Very low | 38.5 | Very low | 60 Ų | 60 | 91 Ų | 91 | 31% | 0.308 | 48% | 0.476 | S | S | . | . | trans | -82.7 | 108.8 | 170.9 | -59.1 | 167.2 | 0 | 0 | 0 | 105 | L234 D334 | L234-I332 HydrophobicContact CD1-CD1 3.7Å; L234-I332 HydrophobicContact CD1-CG1 3.95Å; I332-D334 HydrophobicContact CG2-CB 4.38Å; I332-D334 PolarHBondContact O-N 2.8Å | ||
| 333 | L | 45.6 | Very low | 37.9 | Very low | 40 Ų | 40 | 92.4 Ų | 92.4 | 21% | 0.209 | 49% | 0.487 | C | S | . | . | trans | -83.5 | 103 | 161 | -66.7 | 170.7 | 0 | 0 | 0 | 105.9 | M278 Y282 S331 G335 | M278-L333 HydrophobicContact CB-CD1 3.66Å; M278-L333 HydrophobicContact CE-CD1 3.92Å; M278-L333 HydrophobicContact CG-CD1 3.74Å; M278-L333 HydrophobicContact SD-CD1 4.12Å; Y282-L333 HydrophobicContact CD1-CD1 4.34Å; Y282-L333 HydrophobicContact CD1-CD2 4.49Å; Y282-L333 HydrophobicContact CE1-CD1 4.13Å; Y282-L333 HydrophobicContact CE1-CD2 3.89Å; Y282-L333 HydrophobicContact CE1-CG 4.26Å; S331-L333 PolarHBondContact O-N 3.11Å; L333-G335 PolarHBondContact O-N 3.5Å | ||
| 334 | D | 43.2 | Very low | 37.8 | Very low | 99 Ų | 99 | 93.8 Ų | 93.8 | 53% | 0.529 | 49% | 0.486 | S | S | . | . | trans | -91.5 | 90.7 | 169.5 | -139.4 | -14 | 0 | 0 | 0 | 105.2 | R313 I332 | R313-D334 IonicContact NH1-OD1 2.69Å; R313-D334 PolarHBondContact NH1-OD1 2.96Å; I332-D334 HydrophobicContact CG2-CB 4.38Å; I332-D334 PolarHBondContact O-N 2.8Å | ||
| 335 | G | 36.6 | Very low | 37.7 | Very low | 20 Ų | 20 | 91.3 Ų | 91.3 | 21% | 0.206 | 46% | 0.462 | C | S | . | . | trans | -106.8 | 124.8 | 175 | 0 | 0 | 0 | 0 | 0 | 109.9 | L333 | L333-G335 PolarHBondContact O-N 3.5Š| ||
| 336 | D | 30.1 | Very low | 37.6 | Very low | 98 Ų | 98 | 88.1 Ų | 88.1 | 52% | 0.524 | 44% | 0.443 | S | S | . | . | trans | -77.8 | 123.6 | 165.1 | -79.1 | -47 | 0 | 0 | 0 | 109 | R313 | R313-D336 IonicContact CZ-OD1 2.81Å; R313-D336 IonicContact CZ-OD2 2.73Å; R313-D336 IonicContact NE-OD1 2.68Å; R313-D336 PolarHBondContact NE-OD1 3.08Å; R313-D336 VanDerWaalsContact NH2-CG 3.34Å; R313-D336 IonicContact NH2-OD1 3Å; R313-D336 PolarHBondContact NH2-OD1 3.43Å; R313-D336 IonicContact NH2-OD2 3.25Å; R313-D336 PolarHBondContact NH2-OD2 2.9Å | ||
| 337 | F | 31.1 | Very low | 37.5 | Very low | 64 Ų | 64 | 85.2 Ų | 85.2 | 28% | 0.281 | 43% | 0.432 | S | S | . | . | trans | -131.5 | 113.8 | 178.5 | -74 | -77.5 | 0 | 0 | 0 | 111.8 | V276 V311 | V276-F337 HydrophobicContact CG1-CD1 4.07Å; V276-F337 HydrophobicContact CG1-CD2 3.96Å; V276-F337 HydrophobicContact CG1-CE1 4.09Å; V276-F337 HydrophobicContact CG1-CE2 3.97Å; V276-F337 HydrophobicContact CG1-CG 4.03Å; V276-F337 HydrophobicContact CG1-CZ 4.06Å; V311-F337 WeakPolarHBondContact CA-O 3.25Å; V311-F337 WeakPolarHBondContact CB-O 3.36Å; V311-F337 VanDerWaalsContact CG1-N 3.29Å; V311-F337 WeakPolarHBondContact CG1-O 3.47Å; V311-F337 VanDerWaalsContact CG2-O 3.31Å; V311-F337 WeakPolarHBondContact CG2-O 3.18Å | ||
| 338 | Y | 25.2 | Very low | 37.5 | Very low | 191 Ų | 191 | 80.4 Ų | 80.4 | 75% | 0.749 | 41% | 0.412 | S | S | * | . | trans | -73.4 | 128 | 164.2 | -63 | -89.1 | 0 | 0 | 0 | 108.5 | V311 | V311-Y338 HydrophobicContact CG2-CD1 3.95Å; V311-Y338 HydrophobicContact CG2-CE1 4.11Å; V311-Y338 HydrophobicContact CG2-CG 4.23Å | ||
| 339 | V | 27 | Very low | 37.2 | Very low | 201 Ų | 201 | 83.5 Ų | 83.5 | 100% | 1.218 | 43% | 0.427 | S | S | * | . | trans | -93.7 | 0 | 169.8 | 175.2 | 0 | 0 | 0 | 0 | 108.4 |
Retrieved 339 of 339 residues in 49.1 ms
(Link to these results)