| 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 | 40.9 | Very low | 31.8 | Very low | 249 Ų | 249 | 150 Ų | 150 | 100% | 1.227 | 87% | 0.87 | S | S | * | * | 0 | 101.2 | 0 | -77.1 | 175 | 155.1 | 0 | 0 | 107.9 | |||||
| 2 | T | 33 | Very low | 31.2 | Very low | 147 Ų | 147 | 146.2 Ų | 146.2 | 90% | 0.902 | 86% | 0.858 | S | S | * | * | trans | -91.7 | 115.7 | -175.9 | 45.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 3 | G | 29.8 | Very low | 30.8 | Very low | 82 Ų | 82 | 153.5 Ų | 153.5 | 85% | 0.845 | 86% | 0.863 | S | S | * | * | trans | -111.6 | 115.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 4 | K | 30.6 | Very low | 30.4 | Very low | 206 Ų | 206 | 159.3 Ų | 159.3 | 90% | 0.896 | 86% | 0.864 | S | S | * | * | trans | -77.5 | 140.9 | -176.7 | -75.2 | 173 | 171.5 | 176.5 | 0 | 111.9 | ||||
| 5 | A | 29.8 | Very low | 30.1 | Very low | 103 Ų | 103 | 152.7 Ų | 152.7 | 85% | 0.851 | 85% | 0.849 | S | S | * | * | trans | -81 | 135.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 6 | T | 33.6 | Very low | 30.1 | Very low | 132 Ų | 132 | 150.8 Ų | 150.8 | 81% | 0.81 | 84% | 0.842 | S | S | * | * | trans | -109.5 | 131.2 | 173.5 | 40 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 7 | P | 35.6 | Very low | 29.9 | Very low | 118 Ų | 118 | 150.6 Ų | 150.6 | 77% | 0.766 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 156.4 | 168.6 | 33.5 | -30 | 0 | 0 | 0 | 112.3 | ||
| 8 | P | 32.2 | Very low | 29.7 | Very low | 131 Ų | 131 | 152.9 Ų | 152.9 | 85% | 0.851 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 162.6 | 178.6 | 33.5 | -33.2 | 0 | 0 | 0 | 113.2 | ||
| 9 | S | 28.3 | Very low | 29.5 | Very low | 99 Ų | 99 | 150.4 Ų | 150.4 | 69% | 0.692 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 137.6 | -154.8 | 57.9 | 0 | 0 | 0 | 0 | 116.9 | ||
| 10 | L | 28 | Very low | 29.5 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 92% | 0.921 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 127 | 160.6 | -74.9 | 152.2 | 0 | 0 | 0 | 111.3 | ||
| 11 | Y | 27.6 | Very low | 29.5 | Very low | 207 Ų | 207 | 149.5 Ų | 149.5 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 125 | 168.4 | -86.7 | -95.4 | 0 | 0 | 0 | 110.7 | W13 | Y11-W13 PolarHBondContact O-N 2.78Š|
| 12 | S | 25.1 | Very low | 29.1 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -64 | 112.7 | 175.3 | 142.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 13 | W | 25.6 | Very low | 29 | Very low | 241 Ų | 241 | 141.1 Ų | 141.1 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | trans | -95.2 | 109.4 | 159.1 | -76 | 76 | 0 | 0 | 0 | 108.7 | Y11 G15 | Y11-W13 PolarHBondContact O-N 2.78Å; W13-G15 PolarHBondContact O-N 2.94Å | ||
| 14 | R | 26.3 | Very low | 29 | Very low | 235 Ų | 235 | 141.9 Ų | 141.9 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | trans | -67.7 | 98.4 | 166.3 | -81.6 | -177.2 | 167.1 | -148.1 | -1.6 | 108 | ||||
| 15 | G | 25.6 | Very low | 29.1 | Very low | 61 Ų | 61 | 143.9 Ų | 143.9 | 63% | 0.629 | 80% | 0.804 | S | S | * | * | trans | -73.1 | 127.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | W13 | W13-G15 PolarHBondContact O-N 2.94Š| ||
| 16 | V | 29.1 | Very low | 29 | Very low | 122 Ų | 122 | 145.6 Ų | 145.6 | 74% | 0.739 | 80% | 0.804 | S | S | * | * | trans | -90.7 | 93.4 | 156.6 | -178.5 | 0 | 0 | 0 | 0 | 106.1 | F18 | V16-F18 HydrophobicContact CG1-CD2 3.9Å; V16-F18 HydrophobicContact CG1-CE2 3.79Å; V16-F18 PolarHBondContact O-N 3.27Å | ||
| 17 | L | 27 | Very low | 28.9 | Very low | 147 Ų | 147 | 151 Ų | 151 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | trans | -71.4 | 107.7 | 168.3 | -91.1 | 93.2 | 0 | 0 | 0 | 108.5 | T19 | L17-T19 HydrophobicContact CB-CG2 4.46Å; L17-T19 HydrophobicContact CD2-CG2 4.32Å; L17-T19 PolarHBondContact O-N 3.13Å | ||
| 18 | F | 26.8 | Very low | 28.6 | Very low | 193 Ų | 193 | 155.1 Ų | 155.1 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | -82.3 | 93.6 | 157.4 | -89.3 | -83.7 | 0 | 0 | 0 | 108.5 | V16 C20 | V16-F18 HydrophobicContact CG1-CD2 3.9Å; V16-F18 HydrophobicContact CG1-CE2 3.79Å; V16-F18 PolarHBondContact O-N 3.27Å; F18-C20 PolarHBondContact O-N 2.96Å | ||
| 19 | T | 26.6 | Very low | 28.4 | Very low | 105 Ų | 105 | 159.7 Ų | 159.7 | 64% | 0.644 | 82% | 0.815 | S | S | * | * | trans | -72.7 | 109.8 | 168.7 | 50.9 | 0 | 0 | 0 | 0 | 109.2 | L17 L21 | L17-T19 HydrophobicContact CB-CG2 4.46Å; L17-T19 HydrophobicContact CD2-CG2 4.32Å; L17-T19 PolarHBondContact O-N 3.13Å; T19-L21 PolarHBondContact O-N 2.89Å | ||
| 20 | C | 28.6 | Very low | 28.6 | Very low | 128 Ų | 128 | 164.5 Ų | 164.5 | 87% | 0.865 | 82% | 0.824 | S | S | * | * | trans | -78.9 | 107.1 | 162.5 | -85.5 | 0 | 0 | 0 | 0 | 108.9 | F18 | F18-C20 PolarHBondContact O-N 2.96Š| ||
| 21 | L | 30.3 | Very low | 28.7 | Very low | 153 Ų | 153 | 164.1 Ų | 164.1 | 80% | 0.801 | 82% | 0.817 | S | S | * | * | trans | -67.2 | 139 | 166.7 | -86.8 | 123.7 | 0 | 0 | 0 | 110.3 | T19 | T19-L21 PolarHBondContact O-N 2.89Š| ||
| 22 | P | 31.4 | Very low | 28.9 | Very low | 122 Ų | 122 | 162.8 Ų | 162.8 | 79% | 0.792 | 82% | 0.821 | S | S | * | * | trans | -75.4 | 128.5 | 169.4 | 28.1 | -29.6 | 0 | 0 | 0 | 110.7 | A24 | P22-A24 PolarHBondContact O-N 3.3Š| ||
| 23 | A | 31.6 | Very low | 29.2 | Very low | 99 Ų | 99 | 163.4 Ų | 163.4 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -72.6 | 109.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | R25 | A23-R25 PolarHBondContact O-N 2.97Š| ||
| 24 | A | 30.6 | Very low | 29.5 | Very low | 98 Ų | 98 | 163.7 Ų | 163.7 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | trans | -67.8 | 112.3 | 171 | 0 | 0 | 0 | 0 | 0 | 110.2 | P22 | P22-A24 PolarHBondContact O-N 3.3Š| ||
| 25 | R | 30.9 | Very low | 29.8 | Very low | 247 Ų | 247 | 161.9 Ų | 161.9 | 93% | 0.932 | 83% | 0.828 | S | S | * | * | trans | -91.7 | 105.7 | 164.5 | -97.8 | -178.3 | 174.3 | -174.5 | -0.9 | 109.2 | A23 R27 | A23-R25 PolarHBondContact O-N 2.97Å; R25-R27 PolarHBondContact O-N 3.34Å | ||
| 26 | T | 28.8 | Very low | 30 | Very low | 139 Ų | 139 | 165.3 Ų | 165.3 | 85% | 0.853 | 84% | 0.836 | S | S | * | * | trans | -64.3 | 114.5 | 166.9 | 45.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 27 | R | 30.7 | Very low | 30.3 | Very low | 246 Ų | 246 | 164.4 Ų | 164.4 | 93% | 0.928 | 84% | 0.842 | S | S | * | * | trans | -90.9 | 107.6 | 172.4 | -155.4 | 176 | -172.5 | -174.6 | 2 | 108.4 | R25 R29 | R25-R27 PolarHBondContact O-N 3.34Å; R27-R29 PolarHBondContact O-N 3.28Å | ||
| 28 | K | 29.4 | Very low | 30.6 | Very low | 204 Ų | 204 | 163.9 Ų | 163.9 | 89% | 0.887 | 85% | 0.845 | S | S | * | * | trans | -61.9 | 121.2 | 171.1 | -87.2 | -179.3 | 174.8 | 178 | 0 | 109.2 | K30 | K28-K30 PolarHBondContact O-N 3.31Š| ||
| 29 | R | 28.8 | Very low | 30.9 | Very low | 227 Ų | 227 | 159.5 Ų | 159.5 | 86% | 0.857 | 84% | 0.844 | S | S | * | * | trans | -72.1 | 115.4 | 171.3 | -164.1 | 178.5 | -173.8 | -172.6 | -0.1 | 107.6 | R27 | R27-R29 PolarHBondContact O-N 3.28Š| ||
| 30 | K | 31.4 | Very low | 31.3 | Very low | 200 Ų | 200 | 162.4 Ų | 162.4 | 87% | 0.87 | 86% | 0.855 | S | S | * | * | trans | -107 | 113.6 | 168.4 | -143.7 | 179.7 | -173.6 | -174.5 | 0 | 107.1 | K28 | K28-K30 PolarHBondContact O-N 3.31Š| ||
| 31 | E | 30.5 | Very low | 31.7 | Very low | 168 Ų | 168 | 162 Ų | 162 | 79% | 0.785 | 85% | 0.851 | S | S | * | * | trans | -78.9 | 130.3 | 177.3 | -151.9 | 148 | -154.7 | 0 | 0 | 108 | ||||
| 32 | M | 31.5 | Very low | 32 | Very low | 179 Ų | 179 | 161.8 Ų | 161.8 | 88% | 0.882 | 86% | 0.856 | S | S | * | * | trans | -139.6 | 130.7 | 171.2 | -113.5 | 173.9 | 76.2 | 0 | 0 | 109.5 | ||||
| 33 | S | 32.2 | Very low | 32.2 | Very low | 117 Ų | 117 | 159.5 Ų | 159.5 | 82% | 0.818 | 85% | 0.854 | S | S | * | * | trans | -66.3 | 153.8 | -162.8 | -53 | 0 | 0 | 0 | 0 | 115 | Q35 | S33-Q35 PolarHBondContact O-N 3.39Š| ||
| 34 | R | 31.6 | Very low | 32.6 | Very low | 248 Ų | 248 | 161.2 Ų | 161.2 | 94% | 0.936 | 86% | 0.855 | S | S | * | * | trans | -53.4 | 125.6 | 167.1 | -77.4 | 175.7 | 168 | -177.3 | -4.3 | 111.2 | ||||
| 35 | Q | 32 | Very low | 33 | Very low | 196 Ų | 196 | 162.2 Ų | 162.2 | 92% | 0.916 | 86% | 0.856 | S | S | * | * | trans | -138.9 | 150.4 | 152.7 | -73.7 | -171.8 | -14.5 | 0 | 0 | 110.7 | S33 | S33-Q35 PolarHBondContact O-N 3.39Š| ||
| 36 | T | 31 | Very low | 33.4 | Very low | 133 Ų | 133 | 159.6 Ų | 159.6 | 82% | 0.816 | 85% | 0.851 | S | S | * | * | trans | -66.9 | 155 | -158.7 | 29 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 37 | A | 35.8 | Very low | 33.6 | Very low | 104 Ų | 104 | 159 Ų | 159 | 86% | 0.86 | 85% | 0.851 | S | S | * | * | trans | -68.3 | 134.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 38 | T | 31.7 | Very low | 34.1 | Very low | 136 Ų | 136 | 152.7 Ų | 152.7 | 83% | 0.834 | 84% | 0.842 | S | S | * | * | trans | -137.5 | 135.3 | 166.3 | -5.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 39 | A | 34.4 | Very low | 34.7 | Very low | 100 Ų | 100 | 148.7 Ų | 148.7 | 83% | 0.826 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 143.1 | -169 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 40 | L | 33.3 | Very low | 35.6 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 138.4 | 169.1 | -102.1 | 84.9 | 0 | 0 | 0 | 110.8 | ||
| 41 | P | 37.3 | Very low | 36.2 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 77% | 0.766 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 138.4 | 167.2 | 30.9 | -30 | 0 | 0 | 0 | 111.5 | G43 | P41-G43 PolarHBondContact O-N 3.04Š|
| 42 | T | 37.5 | Very low | 36.8 | Very low | 150 Ų | 150 | 146.4 Ų | 146.4 | 92% | 0.92 | 84% | 0.842 | S | S | * | * | trans | -66.1 | 101.7 | 169.2 | 39.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 43 | G | 34.9 | Very low | 37.7 | Very low | 73 Ų | 73 | 144 Ų | 144 | 75% | 0.753 | 84% | 0.837 | S | S | * | * | trans | -103.8 | 110.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P41 S45 | P41-G43 PolarHBondContact O-N 3.04Å; G43-S45 PolarHBondContact O-N 3.35Å | ||
| 44 | T | 40.9 | Very low | 38.4 | Very low | 136 Ų | 136 | 143.6 Ų | 143.6 | 83% | 0.834 | 83% | 0.832 | S | S | * | * | trans | -65.9 | 106.8 | 170.7 | 47 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 45 | S | 37.8 | Very low | 39.1 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | trans | -87.6 | 110.1 | 172.4 | -168.7 | 0 | 0 | 0 | 0 | 109.8 | G43 | G43-S45 PolarHBondContact O-N 3.35Š| ||
| 46 | K | 39 | Very low | 40.2 | Very low | 191 Ų | 191 | 135.3 Ų | 135.3 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 118.3 | 171 | -70.7 | 179.4 | 177.2 | 179.5 | 0 | 108.5 | ||
| 47 | C | 32.9 | Very low | 41 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 130.1 | 169.3 | -90.5 | 0 | 0 | 0 | 0 | 110.7 | ||
| 48 | P | 42 | Very low | 42 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 74% | 0.74 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 156.2 | 163.9 | 4 | 11.8 | 0 | 0 | 0 | 110.8 | ||
| 49 | P | 43.1 | Very low | 43.2 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -73 | 147.7 | -173.3 | 29.4 | -33.3 | 0 | 0 | 0 | 113.1 | Q51 | P49-Q51 PolarHBondContact O-N 2.98Š|
| 50 | S | 46.2 | Very low | 44.6 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | trans | -31.2 | 106.2 | 174.6 | -175 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 51 | Q | 45.4 | Very low | 46.5 | Very low | 183 Ų | 183 | 130.1 Ų | 130.1 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -74.1 | 132 | 161 | -76 | -177 | -15.7 | 0 | 0 | 109.6 | P49 V53 | P49-Q51 PolarHBondContact O-N 2.98Å; Q51-V53 PolarHBondContact O-N 3.47Å | ||
| 52 | R | 43.2 | Very low | 48.8 | Very low | 244 Ų | 244 | 127 Ų | 127 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -62.9 | 115.4 | -179.8 | -140.4 | 178.7 | -88.6 | -158.9 | -5.2 | 108.7 | ||||
| 53 | V | 50.3 | Low | 51.4 | Low | 129 Ų | 129 | 122.1 Ų | 122.1 | 78% | 0.782 | 75% | 0.748 | S | S | * | * | trans | -61.1 | 129.8 | 173.7 | -172 | 0 | 0 | 0 | 0 | 108 | Q51 A55 | Q51-V53 PolarHBondContact O-N 3.47Å; V53-A55 PolarHBondContact O-N 3.23Å | ||
| 54 | P | 46.3 | Very low | 53.9 | Low | 109 Ų | 109 | 123.8 Ų | 123.8 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | trans | -62.9 | 124.6 | 171.2 | -13.8 | 27.3 | 0 | 0 | 0 | 108.4 | L56 | P54-L56 PolarHBondContact O-N 3.47Š| ||
| 55 | A | 47.1 | Very low | 56.2 | Low | 94 Ų | 94 | 121.7 Ų | 121.7 | 78% | 0.777 | 72% | 0.723 | S | S | * | * | trans | -62.8 | 107.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | V53 T57 | V53-A55 PolarHBondContact O-N 3.23Å; A55-T57 PolarHBondContact O-N 3.15Å | ||
| 56 | L | 53.4 | Low | 58.8 | Low | 176 Ų | 176 | 118.6 Ų | 118.6 | 92% | 0.921 | 70% | 0.697 | S | S | * | * | trans | -63.7 | 101.9 | 169.1 | -84.5 | 158.4 | 0 | 0 | 0 | 107.6 | P54 G58 | P54-L56 PolarHBondContact O-N 3.47Å; L56-G58 PolarHBondContact O-N 2.91Å | ||
| 57 | T | 48.8 | Very low | 61.4 | Low | 132 Ų | 132 | 109.5 Ų | 109.5 | 81% | 0.81 | 66% | 0.658 | S | S | * | * | trans | -65.6 | 113.5 | 172.9 | 44 | 0 | 0 | 0 | 0 | 109.6 | A55 | A55-T57 PolarHBondContact O-N 3.15Š| ||
| 58 | G | 55.8 | Low | 64.2 | Low | 71 Ų | 71 | 106.2 Ų | 106.2 | 73% | 0.732 | 64% | 0.636 | S | S | * | * | trans | 67.8 | 77.9 | 148 | 0 | 0 | 0 | 0 | 0 | 117.1 | L56 | L56-G58 PolarHBondContact O-N 2.91Š| ||
| 59 | T | 56.9 | Low | 66.7 | Low | 139 Ų | 139 | 105.8 Ų | 105.8 | 85% | 0.853 | 63% | 0.627 | S | S | * | * | trans | -133.7 | 73.4 | 152.7 | -41.6 | 0 | 0 | 0 | 0 | 107.8 | A61 | T59-A61 PolarHBondContact O-N 2.77Š| ||
| 60 | T | 64.8 | Low | 69.2 | Low | 135 Ų | 135 | 100 Ų | 100 | 83% | 0.828 | 59% | 0.59 | S | S | * | * | trans | -71.6 | 106.2 | 165.1 | 49 | 0 | 0 | 0 | 0 | 106.3 | S62 | T60-S62 PolarHBondContact O-N 3.28Š| ||
| 61 | A | 72.1 | Confident | 71.5 | Confident | 53 Ų | 53 | 98.2 Ų | 98.2 | 44% | 0.438 | 57% | 0.568 | S | S | . | * | trans | -51.9 | 133.6 | 171 | 0 | 0 | 0 | 0 | 0 | 108.7 | T59 L66 | T59-A61 PolarHBondContact O-N 2.77Å; A61-L66 HydrophobicContact CB-CD2 3.99Å; A61-L66 HydrophobicContact CB-CG 4.04Å | ||
| 62 | S | 87.6 | Confident | 73.9 | Confident | 52 Ų | 52 | 89.5 Ų | 89.5 | 36% | 0.364 | 53% | 0.527 | S | S | . | . | trans | -67.8 | 155 | 177.4 | 76.2 | 0 | 0 | 0 | 0 | 109.3 | T60 N64 D65 L66 | T60-S62 PolarHBondContact O-N 3.28Å; S62-N64 PolarHBondContact O-N 2.96Å; S62-D65 WeakPolarHBondContact CB-OD2 3.42Å; S62-D65 PolarHBondContact N-OD2 2.89Å; S62-D65 VanDerWaalsContact N-OD2 3.07Å; S62-D65 WeakPolarHBondContact O-CB 3.3Å; S62-D65 PolarHBondContact O-N 3.15Å; S62-D65 PolarHBondContact OG-N 2.95Å; S62-D65 PolarHBondContact OG-OD2 2.99Å; S62-L66 PolarHBondContact O-N 3.43Å | ||
| 63 | N | 90.2 | Very high | 76.3 | Confident | 48 Ų | 48 | 80.6 Ų | 80.6 | 26% | 0.257 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.5 | -33.4 | 177.7 | -179.2 | 74.8 | 0 | 0 | 0 | 112.1 | L66 A67 L126 | N63-L66 PolarHBondContact O-N 2.92Å; N63-A67 WeakPolarHBondContact O-CB 3.38Å; N63-A67 PolarHBondContact O-N 2.97Å; N63-L126 PolarHBondContact ND2-O 2.86Å; N63-L126 PolarHBondContact OD1-N 2.84Å |
| 64 | N | 87.6 | Confident | 78.5 | Confident | 108 Ų | 108 | 77.4 Ų | 77.4 | 58% | 0.578 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -66.7 | -42 | 176.1 | -69 | -5.3 | 0 | 0 | 0 | 111.8 | S62 L66 A67 S68 | S62-N64 PolarHBondContact O-N 2.96Å; N64-L66 VanDerWaalsContact C-N 3.28Å; N64-L66 PolarHBondContact O-N 2.81Å; N64-A67 PolarHBondContact O-N 2.97Å; N64-S68 PolarHBondContact O-N 3.05Å |
| 65 | D | 89.9 | Confident | 80.7 | Confident | 92 Ų | 92 | 74.9 Ų | 74.9 | 49% | 0.492 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 175.2 | -56.9 | -42 | 0 | 0 | 0 | 110.4 | S62 S68 | S62-D65 WeakPolarHBondContact CB-OD2 3.42Å; S62-D65 PolarHBondContact N-OD2 2.89Å; S62-D65 VanDerWaalsContact N-OD2 3.07Å; S62-D65 WeakPolarHBondContact O-CB 3.3Å; S62-D65 PolarHBondContact O-N 3.15Å; S62-D65 PolarHBondContact OG-N 2.95Å; S62-D65 PolarHBondContact OG-OD2 2.99Å; D65-S68 PolarHBondContact O-N 2.95Å; D65-S68 PolarHBondContact O-OG 3.47Å |
| 66 | L | 92.3 | Very high | 82.8 | Confident | 54 Ų | 54 | 77.9 Ų | 77.9 | 28% | 0.283 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.1 | -43 | 177 | -66.5 | 175.4 | 0 | 0 | 0 | 112.6 | A61 S62 N63 N64 S68 L69 F70 V125 | A61-L66 HydrophobicContact CB-CD2 3.99Å; A61-L66 HydrophobicContact CB-CG 4.04Å; S62-L66 PolarHBondContact O-N 3.43Å; N63-L66 PolarHBondContact O-N 2.92Å; N64-L66 VanDerWaalsContact C-N 3.28Å; N64-L66 PolarHBondContact O-N 2.81Å; L66-S68 VanDerWaalsContact C-N 3.3Å; L66-S68 PolarHBondContact O-N 2.76Å; L66-L69 HydrophobicContact CD2-CD1 4.28Å; L66-L69 WeakPolarHBondContact O-CB 3.17Å; L66-L69 PolarHBondContact O-N 3.01Å; L66-F70 VanDerWaalsContact O-CD2 3.22Å; L66-F70 WeakPolarHBondContact O-CD2 3.28Å; L66-F70 WeakPolarHBondContact O-CE2 3.24Å; L66-V125 HydrophobicContact CB-CG1 4.28Å; L66-V125 HydrophobicContact CB-CG2 3.78Å; L66-V125 HydrophobicContact CD1-CG2 4.26Å |
| 67 | A | 92.8 | Very high | 84.7 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.008 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -62 | -38 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | N63 N64 L69 F70 Y78 V125 F127 | N63-A67 WeakPolarHBondContact O-CB 3.38Å; N63-A67 PolarHBondContact O-N 2.97Å; N64-A67 PolarHBondContact O-N 2.97Å; A67-L69 PolarHBondContact O-N 2.8Å; A67-F70 WeakPolarHBondContact O-CB 3.41Å; A67-F70 PolarHBondContact O-N 2.86Å; A67-Y78 HydrophobicContact CB-CE1 4.13Å; A67-Y78 WeakPolarHBondContact O-CD1 3.35Å; A67-Y78 WeakPolarHBondContact O-CE1 3.42Å; A67-V125 HydrophobicContact CB-CG1 3.94Å; A67-F127 HydrophobicContact CB-CD1 4.31Å |
| 68 | S | 93.3 | Very high | 86.9 | Confident | 57 Ų | 57 | 68 Ų | 68 | 40% | 0.399 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.8 | -27.2 | 178.6 | 77.7 | 0 | 0 | 0 | 0 | 113.5 | N64 D65 L66 F70 E71 | N64-S68 PolarHBondContact O-N 3.05Å; D65-S68 PolarHBondContact O-N 2.95Å; D65-S68 PolarHBondContact O-OG 3.47Å; L66-S68 VanDerWaalsContact C-N 3.3Å; L66-S68 PolarHBondContact O-N 2.76Å; S68-F70 PolarHBondContact O-N 3.25Å; S68-F70 VanDerWaalsContact O-N 3.16Å; S68-E71 PolarHBondContact O-N 3.29Å; S68-E71 VanDerWaalsContact O-N 3.14Å |
| 69 | L | 93.8 | Very high | 88.7 | Confident | 104 Ų | 104 | 64.7 Ų | 64.7 | 55% | 0.545 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -17.3 | 175.8 | -58.7 | 176 | 0 | 0 | 0 | 113.1 | L66 A67 | L66-L69 HydrophobicContact CD2-CD1 4.28Å; L66-L69 WeakPolarHBondContact O-CB 3.17Å; L66-L69 PolarHBondContact O-N 3.01Å; A67-L69 PolarHBondContact O-N 2.8Å |
| 70 | F | 95.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 4.1 | 179.3 | -62.3 | -96.6 | 0 | 0 | 0 | 112.4 | L66 A67 S68 C72 Y78 V79 I83 M118 V121 A122 V125 F127 | L66-F70 VanDerWaalsContact O-CD2 3.22Å; L66-F70 WeakPolarHBondContact O-CD2 3.28Å; L66-F70 WeakPolarHBondContact O-CE2 3.24Å; A67-F70 WeakPolarHBondContact O-CB 3.41Å; A67-F70 PolarHBondContact O-N 2.86Å; S68-F70 PolarHBondContact O-N 3.25Å; S68-F70 VanDerWaalsContact O-N 3.16Å; F70-C72 PolarHBondContact O-N 3.11Å; F70-Y78 HydrophobicContact CB-CD1 4.27Å; F70-Y78 CarbonylContact O-C 3.55Å; F70-Y78 WeakPolarHBondContact O-CA 3.33Å; F70-V79 WeakPolarHBondContact O-CB 3.39Å; F70-V79 WeakPolarHBondContact O-CG2 3.34Å; F70-V79 PolarHBondContact O-N 3Å; F70-I83 HydrophobicContact CD1-CD1 3.66Å; F70-I83 HydrophobicContact CE1-CD1 3.44Å; F70-I83 VanDerWaalsContact CE1-CD1 3.44Å; F70-M118 HydrophobicContact CD1-CE 4.17Å; F70-M118 HydrophobicContact CD2-CE 4.46Å; F70-M118 HydrophobicContact CE1-CB 4.3Å; F70-M118 HydrophobicContact CE1-CE 3.57Å; F70-M118 WeakPolarHBondContact CE1-O 3.39Å; F70-M118 HydrophobicContact CE2-CE 3.9Å; F70-M118 HydrophobicContact CZ-CE 3.42Å; F70-M118 VanDerWaalsContact CZ-CE 3.42Å; F70-V121 HydrophobicContact CE2-CG1 4.22Å; F70-V121 HydrophobicContact CZ-CB 4.12Å; F70-V121 HydrophobicContact CZ-CG1 3.87Å; F70-A122 HydrophobicContact CE1-CB 3.74Å; F70-A122 HydrophobicContact CZ-CB 4.03Å; F70-V125 HydrophobicContact CE2-CG2 4.22Å; F70-F127 HydrophobicContact CB-CE1 3.83Å; F70-F127 HydrophobicContact CD1-CE1 4.43Å; F70-F127 HydrophobicContact CD1-CZ 4.31Å; F70-F127 AromaticContact CD2-CE1 3.86Å; F70-F127 HydrophobicContact CD2-CE1 3.86Å; F70-F127 HydrophobicContact CD2-CZ 4.09Å; F70-F127 HydrophobicContact CE2-CZ 4.38Å; F70-F127 AromaticContact CG-CE1 3.79Å; F70-F127 HydrophobicContact CG-CE1 3.79Å; F70-F127 HydrophobicContact CG-CZ 4.06Å |
| 71 | E | 95.1 | Very high | 91.9 | Very high | 82 Ų | 82 | 55.9 Ų | 55.9 | 38% | 0.383 | 31% | 0.312 | S | S | . | . | B | Isolated β-bridge | trans | -70.2 | 131.4 | -179.1 | -72.2 | 177.7 | -164.4 | 0 | 0 | 112.2 | S68 Y78 | S68-E71 PolarHBondContact O-N 3.29Å; S68-E71 VanDerWaalsContact O-N 3.14Å; E71-Y78 HydrophobicContact CG-CD1 3.95Å; E71-Y78 HydrophobicContact CG-CE1 3.6Å |
| 72 | C | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | -75.7 | 124.1 | 173.5 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | F70 V74 F76 D77 V79 C93 | F70-C72 PolarHBondContact O-N 3.11Å; C72-V74 PolarHBondContact O-N 2.84Å; C72-F76 VanDerWaalsContact O-CA 3.27Å; C72-F76 WeakPolarHBondContact O-CA 3.45Å; C72-F76 PolarHBondContact O-N 3.18Å; C72-D77 WeakPolarHBondContact CB-O 3.23Å; C72-D77 PolarHBondContact N-O 2.86Å; C72-V79 HydrophobicContact CB-CG2 3.94Å; C72-C93 HydrophobicContact CB-CB 4.02Å; C72-C93 PolarHBondContact SG-N 2.86Å | ||
| 73 | P | 94.7 | Very high | 93.3 | Very high | 57 Ų | 57 | 54.4 Ų | 54.4 | 37% | 0.37 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -0.1 | -176.3 | 29.7 | -37.6 | 0 | 0 | 0 | 114.3 | L91 P104 | P73-L91 WeakPolarHBondContact CD-O 3.33Å; P73-P104 HydrophobicContact CG-CG 3.67Å |
| 74 | V | 94.7 | Very high | 93.4 | Very high | 62 Ų | 62 | 53.6 Ų | 53.6 | 38% | 0.376 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -48.6 | -176.6 | -178.7 | 0 | 0 | 0 | 0 | 111.8 | C72 C96 L100 P104 | C72-V74 PolarHBondContact O-N 2.84Å; V74-C96 HydrophobicContact CB-CB 4.1Å; V74-C96 HydrophobicContact CG1-CB 4.19Å; V74-C96 HydrophobicContact CG2-CB 4.48Å; V74-L100 HydrophobicContact CG2-CD1 4Å; V74-P104 HydrophobicContact CG2-CB 4.24Å; V74-P104 HydrophobicContact CG2-CG 3.95Å |
| 75 | C | 93.5 | Very high | 93.8 | Very high | 56 Ų | 56 | 50.3 Ų | 50.3 | 38% | 0.378 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | -4.8 | -177.2 | 64.9 | 0 | 0 | 0 | 0 | 113.6 | D77 | C75-D77 PolarHBondContact O-N 3.34Å; C75-D77 VanDerWaalsContact O-N 3.14Å; C75-D77 VanDerWaalsContact SG-CB 3.57Å |
| 76 | F | 91.6 | Very high | 94 | Very high | 157 Ų | 157 | 46 Ų | 46 | 69% | 0.689 | 25% | 0.251 | S | S | * | . | trans | 58 | 20.7 | -176.1 | -52.3 | -79.6 | 0 | 0 | 0 | 114.2 | C72 | C72-F76 VanDerWaalsContact O-CA 3.27Å; C72-F76 WeakPolarHBondContact O-CA 3.45Å; C72-F76 PolarHBondContact O-N 3.18Å | ||
| 77 | D | 92.4 | Very high | 94.1 | Very high | 58 Ų | 58 | 50 Ų | 50 | 31% | 0.31 | 27% | 0.268 | S | S | . | . | trans | -97.5 | 161.7 | 172.2 | -160.8 | -2 | 0 | 0 | 0 | 109.9 | C72 C75 | C72-D77 WeakPolarHBondContact CB-O 3.23Å; C72-D77 PolarHBondContact N-O 2.86Å; C75-D77 PolarHBondContact O-N 3.34Å; C75-D77 VanDerWaalsContact O-N 3.14Å; C75-D77 VanDerWaalsContact SG-CB 3.57Å | ||
| 78 | Y | 94.4 | Very high | 94.2 | Very high | 41 Ų | 41 | 53.7 Ų | 53.7 | 16% | 0.161 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -78.2 | 136.2 | -175.7 | -61.2 | -74.2 | 0 | 0 | 0 | 112.3 | A67 F70 E71 L80 F127 P128 | A67-Y78 HydrophobicContact CB-CE1 4.13Å; A67-Y78 WeakPolarHBondContact O-CD1 3.35Å; A67-Y78 WeakPolarHBondContact O-CE1 3.42Å; F70-Y78 HydrophobicContact CB-CD1 4.27Å; F70-Y78 CarbonylContact O-C 3.55Å; F70-Y78 WeakPolarHBondContact O-CA 3.33Å; E71-Y78 HydrophobicContact CG-CD1 3.95Å; E71-Y78 HydrophobicContact CG-CE1 3.6Å; Y78-L80 PolarHBondContact O-N 3.34Å; Y78-F127 AromaticContact CD1-CD1 3.81Å; Y78-F127 HydrophobicContact CD1-CD1 3.81Å; Y78-F127 HydrophobicContact CD1-CE1 4.24Å; Y78-F127 HydrophobicContact CD2-CB 4.5Å; Y78-F127 HydrophobicContact CD2-CD1 4.28Å; Y78-F127 HydrophobicContact CE1-CD1 4.44Å; Y78-F127 AromaticContact CG-CD1 3.72Å; Y78-F127 HydrophobicContact CG-CD1 3.72Å; Y78-F127 HydrophobicContact CG-CE1 4.39Å; Y78-P128 HydrophobicContact CE2-CG 3.65Å; Y78-P128 WeakPolarHBondContact OH-CG 3.42Å |
| 79 | V | 95.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.012 | 29% | 0.292 | C | S | . | . | trans | -80.8 | 93 | 173.6 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | F70 C72 I83 L91 C93 | F70-V79 WeakPolarHBondContact O-CB 3.39Å; F70-V79 WeakPolarHBondContact O-CG2 3.34Å; F70-V79 PolarHBondContact O-N 3Å; C72-V79 HydrophobicContact CB-CG2 3.94Å; V79-I83 HydrophobicContact CG1-CG1 4.38Å; V79-I83 HydrophobicContact CG1-CG2 4.01Å; V79-I83 WeakPolarHBondContact O-CD1 3.46Å; V79-L91 HydrophobicContact CB-CB 4.4Å; V79-L91 HydrophobicContact CG1-CB 4.34Å; V79-L91 HydrophobicContact CG2-CB 4.09Å; V79-C93 HydrophobicContact CG2-CB 4.05Å | ||
| 80 | L | 94.1 | Very high | 94.3 | Very high | 51 Ų | 51 | 50.8 Ų | 50.8 | 27% | 0.267 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -88.3 | 159.4 | 178.4 | -53 | -177.7 | 0 | 0 | 0 | 111.7 | Y78 P82 F127 H142 K145 | Y78-L80 PolarHBondContact O-N 3.34Å; L80-P82 CarbonylContact O-C 3.6Å; L80-F127 HydrophobicContact CD2-CD1 4.08Å; L80-F127 HydrophobicContact CD2-CD2 4.04Å; L80-F127 HydrophobicContact CD2-CE1 4.07Å; L80-F127 HydrophobicContact CD2-CE2 4.04Å; L80-F127 HydrophobicContact CD2-CG 4.06Å; L80-F127 HydrophobicContact CD2-CZ 4.05Å; L80-H142 HydrophobicContact CB-CB 4.46Å; L80-H142 HydrophobicContact CD1-CB 4.32Å; L80-H142 HydrophobicContact CD2-CB 3.83Å; L80-H142 HydrophobicContact CG-CB 4.41Å; L80-K145 HydrophobicContact CD1-CD 4.02Å |
| 81 | P | 93.4 | Very high | 94.3 | Very high | 39 Ų | 39 | 51.7 Ų | 51.7 | 25% | 0.253 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -52.4 | 139 | 175.1 | -28.8 | 37.7 | 0 | 0 | 0 | 113.8 | I83 E119 A122 | P81-I83 HydrophobicContact CG-CD1 4.31Å; P81-I83 HydrophobicContact CG-CG1 4.21Å; P81-E119 HydrophobicContact CB-CG 4.08Å; P81-E119 HydrophobicContact CG-CB 4.37Å; P81-E119 HydrophobicContact CG-CG 4.14Å; P81-A122 HydrophobicContact CG-CB 4.11Å |
| 82 | P | 93.7 | Very high | 94.2 | Very high | 73 Ų | 73 | 48 Ų | 48 | 47% | 0.474 | 27% | 0.268 | S | S | . | . | S | Bend | cis | -71.6 | 126.3 | -1.4 | 29.3 | -34.6 | 0 | 0 | 0 | 112.9 | L80 E119 | L80-P82 CarbonylContact O-C 3.6Å; P82-E119 VanDerWaalsContact CA-OE1 3.3Å; P82-E119 WeakPolarHBondContact CA-OE1 3.31Å |
| 83 | I | 95 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -89 | 127.8 | -173.9 | -62.2 | -177 | 0 | 0 | 0 | 109.6 | F70 V79 P81 L91 R114 N115 M118 E119 A122 | F70-I83 HydrophobicContact CD1-CD1 3.66Å; F70-I83 HydrophobicContact CE1-CD1 3.44Å; F70-I83 VanDerWaalsContact CE1-CD1 3.44Å; V79-I83 HydrophobicContact CG1-CG1 4.38Å; V79-I83 HydrophobicContact CG1-CG2 4.01Å; V79-I83 WeakPolarHBondContact O-CD1 3.46Å; P81-I83 HydrophobicContact CG-CD1 4.31Å; P81-I83 HydrophobicContact CG-CG1 4.21Å; I83-L91 HydrophobicContact CG2-CD1 4.04Å; I83-L91 HydrophobicContact CG2-CD2 3.69Å; I83-L91 HydrophobicContact CG2-CG 4.43Å; I83-R114 CarbonylContact O-C 3.59Å; I83-R114 WeakPolarHBondContact O-CA 3.24Å; I83-N115 HydrophobicContact CG2-CB 4.21Å; I83-N115 PolarHBondContact O-N 2.79Å; I83-M118 HydrophobicContact CD1-CB 4.07Å; I83-M118 HydrophobicContact CG2-CB 4.06Å; I83-E119 HydrophobicContact CB-CG 3.87Å; I83-E119 HydrophobicContact CD1-CG 4.22Å; I83-E119 HydrophobicContact CG1-CG 3.88Å; I83-E119 PolarHBondContact N-OE1 2.81Å; I83-A122 HydrophobicContact CD1-CB 4.11Å |
| 84 | L | 93.5 | Very high | 94 | Very high | 32 Ų | 32 | 49.4 Ų | 49.4 | 17% | 0.168 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 135.8 | -172.5 | -70.3 | 179.2 | 0 | 0 | 0 | 110.7 | R97 I113 R114 | L84-R97 VanDerWaalsContact CG-NH1 3.26Å; L84-I113 WeakPolarHBondContact CA-O 3.49Å; L84-R114 HydrophobicContact CD2-CB 4.17Å; L84-R114 HydrophobicContact CD2-CG 4.45Å |
| 85 | Q | 94.9 | Very high | 93.9 | Very high | 38 Ų | 38 | 51.8 Ų | 51.8 | 18% | 0.178 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 156 | 179.8 | 66.4 | -175.4 | -29.3 | 0 | 0 | 112.4 | H90 L91 R97 I113 N115 | Q85-H90 CarbonylContact C-O 3.53Å; Q85-H90 VanDerWaalsContact CA-O 3.27Å; Q85-H90 WeakPolarHBondContact CA-O 3.43Å; Q85-L91 HydrophobicContact CB-CD2 3.92Å; Q85-R97 PolarHBondContact O-NH2 3.3Å; Q85-R97 VanDerWaalsContact O-NH2 3.1Å; Q85-I113 HydrophobicContact CG-CB 3.99Å; Q85-I113 HydrophobicContact CG-CG2 3.81Å; Q85-I113 PolarHBondContact N-O 2.87Å; Q85-N115 HydrophobicContact CB-CB 4.5Å; Q85-N115 HydrophobicContact CG-CB 4.18Å; Q85-N115 PolarHBondContact NE2-ND2 2.75Å; Q85-N115 PolarHBondContact OE1-ND2 2.84Å; Q85-N115 VanDerWaalsContact OE1-ND2 3.11Å |
| 86 | C | 95.2 | Very high | 93.9 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.014 | 27% | 0.274 | C | S | . | . | trans | -77.8 | 174.4 | 164.5 | 78.7 | 0 | 0 | 0 | 0 | 111.4 | S88 G89 H90 C103 C106 L110 | C86-S88 PolarHBondContact O-N 2.86Å; C86-S88 VanDerWaalsContact O-N 3.1Å; C86-S88 PolarHBondContact SG-N 2.88Å; C86-S88 VanDerWaalsContact SG-N 3.4Å; C86-G89 PolarHBondContact O-N 3.01Å; C86-H90 PolarHBondContact N-O 2.88Å; C86-H90 PolarHBondContact SG-N 3.36Å; C86-H90 VanDerWaalsContact SG-N 3.43Å; C86-C103 HydrophobicContact CB-CB 3.95Å; C86-C103 VanDerWaalsContact SG-SG 3.66Å; C86-C106 VanDerWaalsContact SG-SG 3.64Å; C86-L110 WeakPolarHBondContact CA-O 3.46Å; C86-L110 HydrophobicContact CB-CD2 4.36Å | ||
| 87 | Q | 93.9 | Very high | 94 | Very high | 138 Ų | 138 | 43.4 Ų | 43.4 | 65% | 0.645 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -22.6 | 178.3 | -68.4 | 180 | 4.1 | 0 | 0 | 114 | P109 I113 | Q87-P109 VanDerWaalsContact CD-CG 3.45Å; Q87-P109 HydrophobicContact CG-CG 4.19Å; Q87-I113 HydrophobicContact CG-CD1 3.98Å |
| 88 | S | 94.4 | Very high | 94 | Very high | 79 Ų | 79 | 45.7 Ų | 45.7 | 55% | 0.552 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 2.4 | 177.5 | -47.2 | 0 | 0 | 0 | 0 | 113.8 | C86 C106 | C86-S88 PolarHBondContact O-N 2.86Å; C86-S88 VanDerWaalsContact O-N 3.1Å; C86-S88 PolarHBondContact SG-N 2.88Å; C86-S88 VanDerWaalsContact SG-N 3.4Å; S88-C106 PolarHBondContact OG-SG 3.09Å |
| 89 | G | 93.7 | Very high | 94 | Very high | 34 Ų | 34 | 52 Ų | 52 | 35% | 0.351 | 29% | 0.293 | S | S | . | . | trans | 93 | 1.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 117 | C86 | C86-G89 PolarHBondContact O-N 3.01Š| ||
| 90 | H | 95.8 | Very high | 93.8 | Very high | 66 Ų | 66 | 54.4 Ų | 54.4 | 31% | 0.306 | 31% | 0.306 | S | S | . | . | trans | -77.9 | 138.1 | 178.9 | -57.1 | 106.1 | 0 | 0 | 0 | 112.2 | Q85 C86 T105 | Q85-H90 CarbonylContact C-O 3.53Å; Q85-H90 VanDerWaalsContact CA-O 3.27Å; Q85-H90 WeakPolarHBondContact CA-O 3.43Å; C86-H90 PolarHBondContact N-O 2.88Å; C86-H90 PolarHBondContact SG-N 3.36Å; C86-H90 VanDerWaalsContact SG-N 3.43Å; H90-T105 VanDerWaalsContact CD2-CG2 3.47Å; H90-T105 WeakPolarHBondContact CD2-CG2 3.41Å; H90-T105 WeakPolarHBondContact NE2-CG2 3.5Å | ||
| 91 | L | 95.6 | Very high | 93.8 | Very high | 19 Ų | 19 | 58.8 Ų | 58.8 | 10% | 0.099 | 34% | 0.335 | C | S | . | . | B | Isolated β-bridge | trans | -90.4 | 143.7 | -178.3 | -52.3 | -173.6 | 0 | 0 | 0 | 111.8 | P73 V79 I83 Q85 M118 | P73-L91 WeakPolarHBondContact CD-O 3.33Å; V79-L91 HydrophobicContact CB-CB 4.4Å; V79-L91 HydrophobicContact CG1-CB 4.34Å; V79-L91 HydrophobicContact CG2-CB 4.09Å; I83-L91 HydrophobicContact CG2-CD1 4.04Å; I83-L91 HydrophobicContact CG2-CD2 3.69Å; I83-L91 HydrophobicContact CG2-CG 4.43Å; Q85-L91 HydrophobicContact CB-CD2 3.92Å; L91-M118 HydrophobicContact CD1-CE 4.22Å |
| 92 | V | 94.8 | Very high | 93.8 | Very high | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.024 | 34% | 0.339 | C | S | . | . | trans | -142.7 | 135.1 | 170.7 | 179.9 | 0 | 0 | 0 | 0 | 107.9 | C96 R97 L100 P104 L110 | V92-C96 HydrophobicContact CG1-CB 3.79Å; V92-R97 HydrophobicContact CG1-CB 4.32Å; V92-L100 HydrophobicContact CG1-CD1 3.85Å; V92-P104 HydrophobicContact CG2-CG 4.02Å; V92-L110 HydrophobicContact CG2-CD2 4.07Å | ||
| 93 | C | 93.6 | Very high | 93.9 | Very high | 9 Ų | 9 | 55.9 Ų | 55.9 | 6% | 0.061 | 32% | 0.316 | C | S | . | . | trans | -66 | 157.2 | -178.4 | 73.2 | 0 | 0 | 0 | 0 | 112.1 | C72 V79 N95 C96 R97 | C72-C93 HydrophobicContact CB-CB 4.02Å; C72-C93 PolarHBondContact SG-N 2.86Å; V79-C93 HydrophobicContact CG2-CB 4.05Å; C93-N95 PolarHBondContact O-N 3.28Å; C93-C96 PolarHBondContact O-N 2.85Å; C93-C96 PolarHBondContact SG-N 3.27Å; C93-C96 VanDerWaalsContact SG-N 3.42Å; C93-R97 WeakPolarHBondContact O-CB 3.36Å; C93-R97 PolarHBondContact O-N 3.22Å | ||
| 94 | S | 91.5 | Very high | 93.9 | Very high | 78 Ų | 78 | 58.5 Ų | 58.5 | 55% | 0.545 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -32.8 | 178.7 | 51.8 | 0 | 0 | 0 | 0 | 113.1 | P98 | S94-P98 WeakPolarHBondContact O-CD 3.43Š|
| 95 | N | 91.8 | Very high | 94 | Very high | 111 Ų | 111 | 60.7 Ų | 60.7 | 59% | 0.594 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -34.1 | -179.7 | -69.5 | -18.5 | 0 | 0 | 0 | 113.7 | C93 K99 | C93-N95 PolarHBondContact O-N 3.28Å; N95-K99 WeakPolarHBondContact O-CE 3.33Å |
| 96 | C | 93.9 | Very high | 94.1 | Very high | 9 Ų | 9 | 61.1 Ų | 61.1 | 6% | 0.061 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -35.7 | -179 | -72.3 | 0 | 0 | 0 | 0 | 111.9 | V74 V92 C93 P98 K99 L100 | V74-C96 HydrophobicContact CB-CB 4.1Å; V74-C96 HydrophobicContact CG1-CB 4.19Å; V74-C96 HydrophobicContact CG2-CB 4.48Å; V92-C96 HydrophobicContact CG1-CB 3.79Å; C93-C96 PolarHBondContact O-N 2.85Å; C93-C96 PolarHBondContact SG-N 3.27Å; C93-C96 VanDerWaalsContact SG-N 3.42Å; C96-P98 VanDerWaalsContact C-CD 3.49Å; C96-K99 WeakPolarHBondContact O-CB 3.25Å; C96-K99 PolarHBondContact O-N 2.94Å; C96-L100 WeakPolarHBondContact O-CG 3.34Å |
| 97 | R | 92.6 | Very high | 94.1 | Very high | 28 Ų | 28 | 71.2 Ų | 71.2 | 11% | 0.106 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -49.6 | -48.1 | -176.5 | -164 | 178 | -160.6 | 169.4 | 25.4 | 115 | L84 Q85 V92 C93 K99 L100 L110 G111 | L84-R97 VanDerWaalsContact CG-NH1 3.26Å; Q85-R97 PolarHBondContact O-NH2 3.3Å; Q85-R97 VanDerWaalsContact O-NH2 3.1Å; V92-R97 HydrophobicContact CG1-CB 4.32Å; C93-R97 WeakPolarHBondContact O-CB 3.36Å; C93-R97 PolarHBondContact O-N 3.22Å; R97-K99 PolarHBondContact O-N 3.03Å; R97-L100 PolarHBondContact O-N 3.03Å; R97-L100 VanDerWaalsContact O-N 3.17Å; R97-L110 HydrophobicContact CG-CD1 4.39Å; R97-L110 PolarHBondContact NH2-O 3.46Å; R97-G111 PolarHBondContact NE-O 2.73Å; R97-G111 PolarHBondContact NH2-O 2.94Å |
| 98 | P | 92.6 | Very high | 94 | Very high | 107 Ų | 107 | 65.5 Ų | 65.5 | 70% | 0.695 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -67.8 | -16.1 | -178.4 | 26.9 | -35.5 | 0 | 0 | 0 | 113.6 | S94 C96 L100 | S94-P98 WeakPolarHBondContact O-CD 3.43Å; C96-P98 VanDerWaalsContact C-CD 3.49Å; P98-L100 VanDerWaalsContact C-N 3.33Å |
| 99 | K | 94.1 | Very high | 93.9 | Very high | 172 Ų | 172 | 65 Ų | 65 | 75% | 0.748 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -88.3 | -2.8 | 179 | -54.7 | 176.1 | -174.1 | 174.2 | 0 | 112.5 | N95 C96 R97 | N95-K99 WeakPolarHBondContact O-CE 3.33Å; C96-K99 WeakPolarHBondContact O-CB 3.25Å; C96-K99 PolarHBondContact O-N 2.94Å; R97-K99 PolarHBondContact O-N 3.03Å |
| 100 | L | 92.7 | Very high | 93.7 | Very high | 53 Ų | 53 | 64.1 Ų | 64.1 | 28% | 0.277 | 35% | 0.353 | S | S | . | . | trans | -119.1 | 141 | -172.1 | -59.8 | 172.1 | 0 | 0 | 0 | 111.2 | V74 V92 C96 R97 P98 P104 L110 | V74-L100 HydrophobicContact CG2-CD1 4Å; V92-L100 HydrophobicContact CG1-CD1 3.85Å; C96-L100 WeakPolarHBondContact O-CG 3.34Å; R97-L100 PolarHBondContact O-N 3.03Å; R97-L100 VanDerWaalsContact O-N 3.17Å; P98-L100 VanDerWaalsContact C-N 3.33Å; L100-P104 HydrophobicContact CD1-CG 4.42Å; L100-L110 HydrophobicContact CB-CD1 3.66Å | ||
| 101 | T | 92.8 | Very high | 93.1 | Very high | 143 Ų | 143 | 63.2 Ų | 63.2 | 88% | 0.877 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -94.5 | -25.1 | 175.3 | 53.9 | 0 | 0 | 0 | 0 | 112.7 | ||
| 102 | C | 94.1 | Very high | 92.7 | Very high | 51 Ų | 51 | 67.1 Ų | 67.1 | 35% | 0.345 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -143.2 | 166.1 | 178.2 | 66 | 0 | 0 | 0 | 0 | 111.6 | ||
| 103 | C | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 41% | 0.406 | C | S | . | . | trans | -65.1 | 126.8 | 179 | 176.7 | 0 | 0 | 0 | 0 | 110.3 | C86 T105 R107 G108 L110 | C86-C103 HydrophobicContact CB-CB 3.95Å; C86-C103 VanDerWaalsContact SG-SG 3.66Å; C103-T105 PolarHBondContact O-N 2.87Å; C103-R107 WeakPolarHBondContact O-CA 3.43Å; C103-R107 PolarHBondContact O-N 3.07Å; C103-G108 WeakPolarHBondContact CB-O 3.37Å; C103-G108 PolarHBondContact N-O 2.84Å; C103-L110 HydrophobicContact CB-CD2 4.01Å; C103-L110 HydrophobicContact CB-CG 4.46Å | ||
| 104 | P | 94.9 | Very high | 92.7 | Very high | 56 Ų | 56 | 76.4 Ų | 76.4 | 36% | 0.364 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -27 | -178.6 | 26.4 | -34.1 | 0 | 0 | 0 | 112.5 | P73 V74 V92 L100 | P73-P104 HydrophobicContact CG-CG 3.67Å; V74-P104 HydrophobicContact CG2-CB 4.24Å; V74-P104 HydrophobicContact CG2-CG 3.95Å; V92-P104 HydrophobicContact CG2-CG 4.02Å; L100-P104 HydrophobicContact CD1-CG 4.42Å |
| 105 | T | 95.1 | Very high | 92.9 | Very high | 77 Ų | 77 | 73.8 Ų | 73.8 | 47% | 0.472 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -51.9 | -177.7 | -41.3 | 0 | 0 | 0 | 0 | 112.8 | H90 C103 | H90-T105 VanDerWaalsContact CD2-CG2 3.47Å; H90-T105 WeakPolarHBondContact CD2-CG2 3.41Å; H90-T105 WeakPolarHBondContact NE2-CG2 3.5Å; C103-T105 PolarHBondContact O-N 2.87Å |
| 106 | C | 96.4 | Very high | 93.1 | Very high | 47 Ų | 47 | 73.6 Ų | 73.6 | 32% | 0.318 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | -2.7 | -175.2 | 69 | 0 | 0 | 0 | 0 | 115.3 | C86 S88 G108 | C86-C106 VanDerWaalsContact SG-SG 3.64Å; S88-C106 PolarHBondContact OG-SG 3.09Å; C106-G108 PolarHBondContact O-N 3.08Å |
| 107 | R | 95.4 | Very high | 93.2 | Very high | 215 Ų | 215 | 76.2 Ų | 76.2 | 81% | 0.811 | 43% | 0.428 | S | S | * | . | trans | 59.8 | 8 | -175.1 | -52.2 | 179.9 | -178.3 | -176.1 | -0.2 | 115 | C103 | C103-R107 WeakPolarHBondContact O-CA 3.43Å; C103-R107 PolarHBondContact O-N 3.07Å | ||
| 108 | G | 93.3 | Very high | 93.3 | Very high | 17 Ų | 17 | 76.7 Ų | 76.7 | 18% | 0.175 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -76.1 | 172.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | C103 C106 L110 | C103-G108 WeakPolarHBondContact CB-O 3.37Å; C103-G108 PolarHBondContact N-O 2.84Å; C106-G108 PolarHBondContact O-N 3.08Å; G108-L110 PolarHBondContact O-N 2.9Å |
| 109 | P | 92.4 | Very high | 93.5 | Very high | 70 Ų | 70 | 72.5 Ų | 72.5 | 46% | 0.455 | 40% | 0.404 | S | S | . | . | trans | -63.9 | 131.9 | 176 | 27.8 | -35.1 | 0 | 0 | 0 | 110.8 | Q87 | Q87-P109 VanDerWaalsContact CD-CG 3.45Å; Q87-P109 HydrophobicContact CG-CG 4.19Å | ||
| 110 | L | 88.1 | Confident | 93.5 | Very high | 15 Ų | 15 | 71.7 Ų | 71.7 | 8% | 0.079 | 40% | 0.4 | C | S | . | . | trans | -68 | -34.7 | 178.4 | -79.8 | 166.3 | 0 | 0 | 0 | 112 | C86 V92 R97 L100 C103 G108 | C86-L110 WeakPolarHBondContact CA-O 3.46Å; C86-L110 HydrophobicContact CB-CD2 4.36Å; V92-L110 HydrophobicContact CG2-CD2 4.07Å; R97-L110 HydrophobicContact CG-CD1 4.39Å; R97-L110 PolarHBondContact NH2-O 3.46Å; L100-L110 HydrophobicContact CB-CD1 3.66Å; C103-L110 HydrophobicContact CB-CD2 4.01Å; C103-L110 HydrophobicContact CB-CG 4.46Å; G108-L110 PolarHBondContact O-N 2.9Å | ||
| 111 | G | 84.3 | Confident | 93.6 | Very high | 46 Ų | 46 | 72 Ų | 72 | 47% | 0.474 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | -160.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | R97 | R97-G111 PolarHBondContact NE-O 2.73Å; R97-G111 PolarHBondContact NH2-O 2.94Å |
| 112 | S | 87.6 | Confident | 93.7 | Very high | 102 Ų | 102 | 65.2 Ų | 65.2 | 71% | 0.713 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.2 | 55.8 | 169.5 | -163.3 | 0 | 0 | 0 | 0 | 110.5 | ||
| 113 | I | 93.3 | Very high | 93.7 | Very high | 70 Ų | 70 | 67.7 Ų | 67.7 | 36% | 0.359 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 119.5 | -178.3 | -54.7 | 170.6 | 0 | 0 | 0 | 108.5 | L84 Q85 Q87 | L84-I113 WeakPolarHBondContact CA-O 3.49Å; Q85-I113 HydrophobicContact CG-CB 3.99Å; Q85-I113 HydrophobicContact CG-CG2 3.81Å; Q85-I113 PolarHBondContact N-O 2.87Å; Q87-I113 HydrophobicContact CG-CD1 3.98Å |
| 114 | R | 95.1 | Very high | 93.5 | Very high | 137 Ų | 137 | 72.7 Ų | 72.7 | 52% | 0.517 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 132 | 175.4 | -168.8 | 175 | 172.3 | -177.1 | -4.2 | 110.3 | I83 L84 L116 E119 | I83-R114 CarbonylContact O-C 3.59Å; I83-R114 WeakPolarHBondContact O-CA 3.24Å; L84-R114 HydrophobicContact CD2-CB 4.17Å; L84-R114 HydrophobicContact CD2-CG 4.45Å; R114-L116 HydrophobicContact CG-CD2 4.18Å; R114-E119 VanDerWaalsContact CG-OE1 3.24Å; R114-E119 WeakPolarHBondContact CG-OE1 3.43Å; R114-E119 IonicContact CZ-OE1 3.59Å; R114-E119 IonicContact CZ-OE2 3.43Å; R114-E119 IonicContact NE-OE1 3.72Å; R114-E119 PolarHBondContact NE-OE1 2.85Å; R114-E119 IonicContact NE-OE2 2.9Å; R114-E119 PolarHBondContact NE-OE2 2.9Å; R114-E119 IonicContact NH2-OE1 3.78Å; R114-E119 PolarHBondContact NH2-OE1 2.85Å; R114-E119 IonicContact NH2-OE2 3.73Å; R114-E119 PolarHBondContact NH2-OE2 2.95Å |
| 115 | N | 95.4 | Very high | 93.6 | Very high | 24 Ų | 24 | 70.1 Ų | 70.1 | 13% | 0.128 | 39% | 0.39 | C | S | . | . | trans | -100 | 83.4 | -178.8 | -167.7 | -25.3 | 0 | 0 | 0 | 110.5 | I83 Q85 A117 M118 E119 | I83-N115 HydrophobicContact CG2-CB 4.21Å; I83-N115 PolarHBondContact O-N 2.79Å; Q85-N115 HydrophobicContact CB-CB 4.5Å; Q85-N115 HydrophobicContact CG-CB 4.18Å; Q85-N115 PolarHBondContact NE2-ND2 2.75Å; Q85-N115 PolarHBondContact OE1-ND2 2.84Å; Q85-N115 VanDerWaalsContact OE1-ND2 3.11Å; N115-A117 PolarHBondContact O-N 2.61Å; N115-A117 PolarHBondContact OD1-N 2.88Å; N115-M118 HydrophobicContact CB-CB 4.15Å; N115-M118 HydrophobicContact CB-CG 4.38Å; N115-M118 VanDerWaalsContact CG-CG 3.47Å; N115-M118 WeakPolarHBondContact ND2-CG 3.34Å; N115-M118 PolarHBondContact O-N 3.43Å; N115-M118 PolarHBondContact OD1-N 3.07Å; N115-E119 WeakPolarHBondContact O-CG 3.28Å; N115-E119 PolarHBondContact O-N 3.36Å; N115-E119 VanDerWaalsContact O-N 3.07Å | ||
| 116 | L | 96.1 | Very high | 93.6 | Very high | 107 Ų | 107 | 69.8 Ų | 69.8 | 56% | 0.56 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.3 | -27.4 | -179.8 | -58.6 | 177.2 | 0 | 0 | 0 | 113.2 | R114 K120 | R114-L116 HydrophobicContact CG-CD2 4.18Å; L116-K120 WeakPolarHBondContact O-CG 3.31Å; L116-K120 PolarHBondContact O-N 3.29Å |
| 117 | A | 95 | Very high | 93.6 | Very high | 63 Ų | 63 | 67.6 Ų | 67.6 | 52% | 0.521 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -69.3 | -47.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | N115 E119 K120 V121 | N115-A117 PolarHBondContact O-N 2.61Å; N115-A117 PolarHBondContact OD1-N 2.88Å; A117-E119 VanDerWaalsContact C-N 3.27Å; A117-E119 PolarHBondContact O-N 3.14Å; A117-K120 WeakPolarHBondContact O-CB 3.41Å; A117-K120 PolarHBondContact O-N 3.36Å; A117-K120 VanDerWaalsContact O-N 3.11Å; A117-V121 WeakPolarHBondContact O-CG2 3.38Å; A117-V121 PolarHBondContact O-N 2.94Å |
| 118 | M | 95.4 | Very high | 93.6 | Very high | 38 Ų | 38 | 58.4 Ų | 58.4 | 19% | 0.187 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.2 | -31 | 176.4 | -70.7 | -57.4 | -68.7 | 0 | 0 | 112.5 | F70 I83 L91 N115 K120 V121 A122 | F70-M118 HydrophobicContact CD1-CE 4.17Å; F70-M118 HydrophobicContact CD2-CE 4.46Å; F70-M118 HydrophobicContact CE1-CB 4.3Å; F70-M118 HydrophobicContact CE1-CE 3.57Å; F70-M118 WeakPolarHBondContact CE1-O 3.39Å; F70-M118 HydrophobicContact CE2-CE 3.9Å; F70-M118 HydrophobicContact CZ-CE 3.42Å; F70-M118 VanDerWaalsContact CZ-CE 3.42Å; I83-M118 HydrophobicContact CD1-CB 4.07Å; I83-M118 HydrophobicContact CG2-CB 4.06Å; L91-M118 HydrophobicContact CD1-CE 4.22Å; N115-M118 HydrophobicContact CB-CB 4.15Å; N115-M118 HydrophobicContact CB-CG 4.38Å; N115-M118 VanDerWaalsContact CG-CG 3.47Å; N115-M118 WeakPolarHBondContact ND2-CG 3.34Å; N115-M118 PolarHBondContact O-N 3.43Å; N115-M118 PolarHBondContact OD1-N 3.07Å; M118-K120 VanDerWaalsContact C-N 3.35Å; M118-V121 PolarHBondContact O-N 2.98Å; M118-A122 WeakPolarHBondContact O-CB 3.42Å; M118-A122 PolarHBondContact O-N 3.07Å |
| 119 | E | 95.7 | Very high | 93.6 | Very high | 20 Ų | 20 | 57.8 Ų | 57.8 | 9% | 0.093 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 171.6 | -69.3 | 177.8 | -170.4 | 0 | 0 | 112.3 | P81 P82 I83 R114 N115 A117 V121 A122 N123 | P81-E119 HydrophobicContact CB-CG 4.08Å; P81-E119 HydrophobicContact CG-CB 4.37Å; P81-E119 HydrophobicContact CG-CG 4.14Å; P82-E119 VanDerWaalsContact CA-OE1 3.3Å; P82-E119 WeakPolarHBondContact CA-OE1 3.31Å; I83-E119 HydrophobicContact CB-CG 3.87Å; I83-E119 HydrophobicContact CD1-CG 4.22Å; I83-E119 HydrophobicContact CG1-CG 3.88Å; I83-E119 PolarHBondContact N-OE1 2.81Å; R114-E119 VanDerWaalsContact CG-OE1 3.24Å; R114-E119 WeakPolarHBondContact CG-OE1 3.43Å; R114-E119 IonicContact CZ-OE1 3.59Å; R114-E119 IonicContact CZ-OE2 3.43Å; R114-E119 IonicContact NE-OE1 3.72Å; R114-E119 PolarHBondContact NE-OE1 2.85Å; R114-E119 IonicContact NE-OE2 2.9Å; R114-E119 PolarHBondContact NE-OE2 2.9Å; R114-E119 IonicContact NH2-OE1 3.78Å; R114-E119 PolarHBondContact NH2-OE1 2.85Å; R114-E119 IonicContact NH2-OE2 3.73Å; R114-E119 PolarHBondContact NH2-OE2 2.95Å; N115-E119 WeakPolarHBondContact O-CG 3.28Å; N115-E119 PolarHBondContact O-N 3.36Å; N115-E119 VanDerWaalsContact O-N 3.07Å; A117-E119 VanDerWaalsContact C-N 3.27Å; A117-E119 PolarHBondContact O-N 3.14Å; E119-V121 VanDerWaalsContact C-N 3.33Å; E119-A122 PolarHBondContact O-N 2.8Å; E119-N123 PolarHBondContact O-N 2.98Å |
| 120 | K | 94.9 | Very high | 93.6 | Very high | 155 Ų | 155 | 58.8 Ų | 58.8 | 67% | 0.674 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.1 | -38.8 | 174.2 | -71.7 | 178.5 | 179.2 | -175.5 | 0 | 111.9 | L116 A117 M118 N123 | L116-K120 WeakPolarHBondContact O-CG 3.31Å; L116-K120 PolarHBondContact O-N 3.29Å; A117-K120 WeakPolarHBondContact O-CB 3.41Å; A117-K120 PolarHBondContact O-N 3.36Å; A117-K120 VanDerWaalsContact O-N 3.11Å; M118-K120 VanDerWaalsContact C-N 3.35Å; K120-N123 WeakPolarHBondContact O-CB 3.42Å; K120-N123 PolarHBondContact O-N 3Å |
| 121 | V | 94.6 | Very high | 93.8 | Very high | 59 Ų | 59 | 59.6 Ų | 59.6 | 36% | 0.358 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.9 | -42.3 | 175.5 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | F70 A117 M118 E119 N123 S124 V125 | F70-V121 HydrophobicContact CE2-CG1 4.22Å; F70-V121 HydrophobicContact CZ-CB 4.12Å; F70-V121 HydrophobicContact CZ-CG1 3.87Å; A117-V121 WeakPolarHBondContact O-CG2 3.38Å; A117-V121 PolarHBondContact O-N 2.94Å; M118-V121 PolarHBondContact O-N 2.98Å; E119-V121 VanDerWaalsContact C-N 3.33Å; V121-N123 PolarHBondContact O-N 2.85Å; V121-N123 VanDerWaalsContact O-N 3.16Å; V121-S124 PolarHBondContact O-N 2.86Å; V121-V125 HydrophobicContact CG1-CG2 4.19Å; V121-V125 WeakPolarHBondContact O-CG2 3.37Å; V121-V125 PolarHBondContact O-N 3.11Å |
| 122 | A | 94.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58 | -29.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F70 P81 I83 M118 E119 S124 V125 F127 | F70-A122 HydrophobicContact CE1-CB 3.74Å; F70-A122 HydrophobicContact CZ-CB 4.03Å; P81-A122 HydrophobicContact CG-CB 4.11Å; I83-A122 HydrophobicContact CD1-CB 4.11Å; M118-A122 WeakPolarHBondContact O-CB 3.42Å; M118-A122 PolarHBondContact O-N 3.07Å; E119-A122 PolarHBondContact O-N 2.8Å; A122-S124 PolarHBondContact O-N 2.79Å; A122-V125 PolarHBondContact O-N 2.87Å; A122-F127 HydrophobicContact CB-CE2 4.34Å; A122-F127 HydrophobicContact CB-CZ 4.14Å |
| 123 | N | 93.9 | Very high | 94.4 | Very high | 104 Ų | 104 | 60.3 Ų | 60.3 | 56% | 0.556 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -17.4 | 175.2 | -67 | -27.7 | 0 | 0 | 0 | 113.8 | E119 K120 V121 H142 | E119-N123 PolarHBondContact O-N 2.98Å; K120-N123 WeakPolarHBondContact O-CB 3.42Å; K120-N123 PolarHBondContact O-N 3Å; V121-N123 PolarHBondContact O-N 2.85Å; V121-N123 VanDerWaalsContact O-N 3.16Å; N123-H142 PolarHBondContact OD1-NE2 2.78Å |
| 124 | S | 93.1 | Very high | 94.1 | Very high | 104 Ų | 104 | 60 Ų | 60 | 73% | 0.727 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | 5.2 | -179.6 | -55.4 | 0 | 0 | 0 | 0 | 113 | V121 A122 | V121-S124 PolarHBondContact O-N 2.86Å; A122-S124 PolarHBondContact O-N 2.79Å |
| 125 | V | 95.3 | Very high | 94 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.018 | 33% | 0.328 | C | S | . | . | trans | -112.5 | 135 | -179.8 | 177.3 | 0 | 0 | 0 | 0 | 109.1 | L66 A67 F70 V121 A122 F127 | L66-V125 HydrophobicContact CB-CG1 4.28Å; L66-V125 HydrophobicContact CB-CG2 3.78Å; L66-V125 HydrophobicContact CD1-CG2 4.26Å; A67-V125 HydrophobicContact CB-CG1 3.94Å; F70-V125 HydrophobicContact CE2-CG2 4.22Å; V121-V125 HydrophobicContact CG1-CG2 4.19Å; V121-V125 WeakPolarHBondContact O-CG2 3.37Å; V121-V125 PolarHBondContact O-N 3.11Å; A122-V125 PolarHBondContact O-N 2.87Å; V125-F127 HydrophobicContact CB-CE2 4.15Å; V125-F127 HydrophobicContact CB-CZ 4.07Å; V125-F127 HydrophobicContact CG1-CD1 4.49Å; V125-F127 HydrophobicContact CG1-CE1 4.09Å; V125-F127 HydrophobicContact CG1-CE2 4.21Å; V125-F127 HydrophobicContact CG1-CZ 3.94Å; V125-F127 WeakPolarHBondContact O-CE2 3.39Å | ||
| 126 | L | 95.9 | Very high | 93.9 | Very high | 70 Ų | 70 | 54.2 Ų | 54.2 | 37% | 0.366 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -91.5 | 130.8 | 169.4 | -55.8 | 175.8 | 0 | 0 | 0 | 108.8 | N63 L140 P141 | N63-L126 PolarHBondContact ND2-O 2.86Å; N63-L126 PolarHBondContact OD1-N 2.84Å; L126-L140 CarbonylContact C-O 3.58Å; L126-L140 WeakPolarHBondContact CA-O 3.29Å; L126-P141 HydrophobicContact CD2-CG 3.89Å |
| 127 | F | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 132.8 | 179.9 | -62.9 | -85.1 | 0 | 0 | 0 | 109.3 | A67 F70 Y78 L80 A122 V125 T139 L140 H142 K145 | A67-F127 HydrophobicContact CB-CD1 4.31Å; F70-F127 HydrophobicContact CB-CE1 3.83Å; F70-F127 HydrophobicContact CD1-CE1 4.43Å; F70-F127 HydrophobicContact CD1-CZ 4.31Å; F70-F127 AromaticContact CD2-CE1 3.86Å; F70-F127 HydrophobicContact CD2-CE1 3.86Å; F70-F127 HydrophobicContact CD2-CZ 4.09Å; F70-F127 HydrophobicContact CE2-CZ 4.38Å; F70-F127 AromaticContact CG-CE1 3.79Å; F70-F127 HydrophobicContact CG-CE1 3.79Å; F70-F127 HydrophobicContact CG-CZ 4.06Å; Y78-F127 AromaticContact CD1-CD1 3.81Å; Y78-F127 HydrophobicContact CD1-CD1 3.81Å; Y78-F127 HydrophobicContact CD1-CE1 4.24Å; Y78-F127 HydrophobicContact CD2-CB 4.5Å; Y78-F127 HydrophobicContact CD2-CD1 4.28Å; Y78-F127 HydrophobicContact CE1-CD1 4.44Å; Y78-F127 AromaticContact CG-CD1 3.72Å; Y78-F127 HydrophobicContact CG-CD1 3.72Å; Y78-F127 HydrophobicContact CG-CE1 4.39Å; L80-F127 HydrophobicContact CD2-CD1 4.08Å; L80-F127 HydrophobicContact CD2-CD2 4.04Å; L80-F127 HydrophobicContact CD2-CE1 4.07Å; L80-F127 HydrophobicContact CD2-CE2 4.04Å; L80-F127 HydrophobicContact CD2-CG 4.06Å; L80-F127 HydrophobicContact CD2-CZ 4.05Å; A122-F127 HydrophobicContact CB-CE2 4.34Å; A122-F127 HydrophobicContact CB-CZ 4.14Å; V125-F127 HydrophobicContact CB-CE2 4.15Å; V125-F127 HydrophobicContact CB-CZ 4.07Å; V125-F127 HydrophobicContact CG1-CD1 4.49Å; V125-F127 HydrophobicContact CG1-CE1 4.09Å; V125-F127 HydrophobicContact CG1-CE2 4.21Å; V125-F127 HydrophobicContact CG1-CZ 3.94Å; V125-F127 WeakPolarHBondContact O-CE2 3.39Å; F127-T139 WeakPolarHBondContact O-CA 3.44Å; F127-L140 PolarHBondContact N-O 3.01Å; F127-L140 PolarHBondContact O-N 3.04Å; F127-H142 HydrophobicContact CD2-CB 3.99Å; F127-H142 HydrophobicContact CE2-CB 3.88Å; F127-K145 HydrophobicContact CB-CD 3.75Å |
| 128 | P | 95.3 | Very high | 94 | Very high | 23 Ų | 23 | 58.6 Ų | 58.6 | 15% | 0.149 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 149 | 173.8 | 27.4 | -31.9 | 0 | 0 | 0 | 110.6 | Y78 A132 T139 K145 | Y78-P128 HydrophobicContact CE2-CG 3.65Å; Y78-P128 WeakPolarHBondContact OH-CG 3.42Å; P128-A132 HydrophobicContact CB-CB 4.48Å; P128-T139 HydrophobicContact CB-CG2 4.08Å; P128-K145 PolarHBondContact O-NZ 3.33Å |
| 129 | C | 94.9 | Very high | 94 | Very high | 4 Ų | 4 | 59.6 Ų | 59.6 | 3% | 0.027 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 141.7 | 172.1 | -180 | 0 | 0 | 0 | 0 | 111 | Y131 A132 C136 I138 H148 | C129-Y131 PolarHBondContact O-N 2.86Å; C129-Y131 VanDerWaalsContact O-N 3.08Å; C129-Y131 VanDerWaalsContact SG-CD2 3.59Å; C129-Y131 PolarHBondContact SG-N 3.19Å; C129-A132 VanDerWaalsContact O-CB 3.24Å; C129-A132 WeakPolarHBondContact O-CB 3.25Å; C129-A132 PolarHBondContact O-N 2.99Å; C129-C136 HydrophobicContact CB-CB 4Å; C129-C136 VanDerWaalsContact CB-SG 3.53Å; C129-I138 PolarHBondContact N-O 2.89Å; C129-H148 PolarHBondContact SG-NE2 2.74Å; C129-H148 VanDerWaalsContact SG-NE2 3.43Å |
| 130 | K | 91.9 | Very high | 94 | Very high | 91 Ų | 91 | 60 Ų | 60 | 40% | 0.396 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -19.3 | 176.8 | 72.4 | -174.7 | 169.8 | -137 | 0 | 113.5 | A132 E149 | K130-A132 VanDerWaalsContact C-N 3.3Å; K130-E149 VanDerWaalsContact CB-OE1 3.28Å; K130-E149 WeakPolarHBondContact CB-OE1 3.11Å; K130-E149 HydrophobicContact CD-CG 4.35Å; K130-E149 WeakPolarHBondContact CD-OE2 3.45Å; K130-E149 VanDerWaalsContact CE-OE2 3.26Å; K130-E149 WeakPolarHBondContact CE-OE2 3.31Å; K130-E149 VanDerWaalsContact CG-CD 3.5Å; K130-E149 HydrophobicContact CG-CG 4.08Å; K130-E149 WeakPolarHBondContact CG-OE1 3.26Å; K130-E149 PolarHBondContact N-OE1 3.4Å; K130-E149 IonicContact NZ-OE2 2.75Å; K130-E149 PolarHBondContact NZ-OE2 2.71Å |
| 131 | Y | 92.4 | Very high | 94.1 | Very high | 32 Ų | 32 | 54.5 Ų | 54.5 | 13% | 0.125 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 17.4 | 175.7 | -49.1 | -61.8 | 0 | 0 | 0 | 113 | C129 S133 S134 G135 C136 E149 C152 R155 P156 | C129-Y131 PolarHBondContact O-N 2.86Å; C129-Y131 VanDerWaalsContact O-N 3.08Å; C129-Y131 VanDerWaalsContact SG-CD2 3.59Å; C129-Y131 PolarHBondContact SG-N 3.19Å; Y131-S133 PolarHBondContact O-N 2.82Å; Y131-S134 CarbonylContact O-C 3.33Å; Y131-S134 WeakPolarHBondContact O-CA 3.3Å; Y131-S134 WeakPolarHBondContact O-CB 3.5Å; Y131-S134 PolarHBondContact O-N 2.87Å; Y131-G135 PolarHBondContact O-N 3.01Å; Y131-C136 WeakPolarHBondContact O-CB 3.04Å; Y131-C136 PolarHBondContact O-N 3.01Å; Y131-E149 HydrophobicContact CE2-CB 4.16Å; Y131-E149 HydrophobicContact CE2-CG 4.38Å; Y131-E149 WeakPolarHBondContact CE2-O 3.37Å; Y131-C152 HydrophobicContact CD2-CB 3.69Å; Y131-C152 HydrophobicContact CE2-CB 4.03Å; Y131-R155 HydrophobicContact CD2-CB 4.02Å; Y131-R155 HydrophobicContact CE1-CB 4.22Å; Y131-R155 HydrophobicContact CE1-CG 4.22Å; Y131-R155 HydrophobicContact CE2-CB 3.56Å; Y131-R155 HydrophobicContact CE2-CG 3.97Å; Y131-R155 WeakPolarHBondContact OH-CD 3.43Å; Y131-R155 WeakPolarHBondContact OH-CG 3.38Å; Y131-P156 HydrophobicContact CE1-CG 4.44Å |
| 132 | A | 92.9 | Very high | 94.1 | Very high | 46 Ų | 46 | 53.1 Ų | 53.1 | 38% | 0.38 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -58.1 | -35.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P128 C129 K130 S134 G135 C136 | P128-A132 HydrophobicContact CB-CB 4.48Å; C129-A132 VanDerWaalsContact O-CB 3.24Å; C129-A132 WeakPolarHBondContact O-CB 3.25Å; C129-A132 PolarHBondContact O-N 2.99Å; K130-A132 VanDerWaalsContact C-N 3.3Å; A132-S134 PolarHBondContact O-N 2.91Å; A132-G135 PolarHBondContact O-N 3.1Å; A132-C136 WeakPolarHBondContact CA-O 3.28Å; A132-C136 WeakPolarHBondContact CB-O 3.24Å |
| 133 | S | 90.1 | Very high | 94.1 | Very high | 117 Ų | 117 | 57.4 Ų | 57.4 | 82% | 0.818 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -65.4 | -20 | 172.9 | 56.5 | 0 | 0 | 0 | 0 | 113.7 | Y131 | Y131-S133 PolarHBondContact O-N 2.82Š|
| 134 | S | 88.9 | Confident | 94.2 | Very high | 63 Ų | 63 | 57.3 Ų | 57.3 | 44% | 0.441 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -94.2 | -0.3 | 175 | -56.2 | 0 | 0 | 0 | 0 | 113.1 | Y131 A132 F154 | Y131-S134 CarbonylContact O-C 3.33Å; Y131-S134 WeakPolarHBondContact O-CA 3.3Å; Y131-S134 WeakPolarHBondContact O-CB 3.5Å; Y131-S134 PolarHBondContact O-N 2.87Å; A132-S134 PolarHBondContact O-N 2.91Å; S134-F154 WeakPolarHBondContact O-CD1 3.49Å |
| 135 | G | 91.9 | Very high | 94.2 | Very high | 35 Ų | 35 | 52.6 Ų | 52.6 | 36% | 0.361 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 114.1 | 1.3 | 176 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y131 A132 E137 F154 | Y131-G135 PolarHBondContact O-N 3.01Å; A132-G135 PolarHBondContact O-N 3.1Å; G135-E137 PolarHBondContact O-N 2.71Å; G135-F154 VanDerWaalsContact O-CZ 3.32Å; G135-F154 WeakPolarHBondContact O-CZ 3.41Å |
| 136 | C | 94.4 | Very high | 94.1 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.027 | 33% | 0.326 | C | S | . | . | trans | -76.6 | 110.2 | 177.2 | -169.7 | 0 | 0 | 0 | 0 | 112.1 | C129 Y131 A132 I138 H148 F154 | C129-C136 HydrophobicContact CB-CB 4Å; C129-C136 VanDerWaalsContact CB-SG 3.53Å; Y131-C136 WeakPolarHBondContact O-CB 3.04Å; Y131-C136 PolarHBondContact O-N 3.01Å; A132-C136 WeakPolarHBondContact CA-O 3.28Å; A132-C136 WeakPolarHBondContact CB-O 3.24Å; C136-I138 VanDerWaalsContact C-N 3.3Å; C136-I138 PolarHBondContact O-N 3Å; C136-H148 PolarHBondContact SG-NE2 3.43Å; C136-H148 VanDerWaalsContact SG-NE2 3.43Å; C136-F154 VanDerWaalsContact CA-CD2 3.48Å; C136-F154 HydrophobicContact CB-CB 4.02Å; C136-F154 HydrophobicContact CB-CD2 3.5Å; C136-F154 HydrophobicContact CB-CE2 4.22Å; C136-F154 HydrophobicContact CB-CG 3.95Å | ||
| 137 | E | 95.7 | Very high | 93.9 | Very high | 185 Ų | 185 | 57.2 Ų | 57.2 | 86% | 0.864 | 34% | 0.335 | S | S | * | . | trans | -86.4 | 0.9 | -179.7 | -60.9 | -178.2 | 173.1 | 0 | 0 | 113.9 | G135 | G135-E137 PolarHBondContact O-N 2.71Š| ||
| 138 | I | 95.4 | Very high | 93.8 | Very high | 77 Ų | 77 | 59.1 Ų | 59.1 | 40% | 0.395 | 34% | 0.344 | S | S | . | . | trans | -74.5 | 132.9 | -173 | -62.7 | 172 | 0 | 0 | 0 | 110.6 | C129 C136 L140 H148 | C129-I138 PolarHBondContact N-O 2.89Å; C136-I138 VanDerWaalsContact C-N 3.3Å; C136-I138 PolarHBondContact O-N 3Å; I138-L140 HydrophobicContact CG2-CD1 3.64Å; I138-L140 HydrophobicContact CG2-CD2 4.11Å; I138-L140 HydrophobicContact CG2-CG 3.63Å; I138-H148 VanDerWaalsContact CD1-CE1 3.46Å; I138-H148 WeakPolarHBondContact CD1-CE1 3.48Å | ||
| 139 | T | 95.9 | Very high | 93.7 | Very high | 59 Ų | 59 | 58.8 Ų | 58.8 | 36% | 0.362 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.6 | 172.5 | 56 | 0 | 0 | 0 | 0 | 109.4 | F127 P128 | F127-T139 WeakPolarHBondContact O-CA 3.44Å; P128-T139 HydrophobicContact CB-CG2 4.08Å |
| 140 | L | 96.2 | Very high | 93.3 | Very high | 30 Ų | 30 | 64.4 Ų | 64.4 | 16% | 0.157 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 155.5 | -168.3 | -69.9 | 158.2 | 0 | 0 | 0 | 112.1 | L126 F127 I138 H148 | L126-L140 CarbonylContact C-O 3.58Å; L126-L140 WeakPolarHBondContact CA-O 3.29Å; F127-L140 PolarHBondContact N-O 3.01Å; F127-L140 PolarHBondContact O-N 3.04Å; I138-L140 HydrophobicContact CG2-CD1 3.64Å; I138-L140 HydrophobicContact CG2-CD2 4.11Å; I138-L140 HydrophobicContact CG2-CG 3.63Å; L140-H148 HydrophobicContact CD1-CB 3.24Å |
| 141 | P | 96.7 | Very high | 93 | Very high | 38 Ų | 38 | 66.2 Ų | 66.2 | 25% | 0.247 | 38% | 0.379 | C | S | . | . | trans | -56.5 | 150.6 | 165.1 | -20.1 | 32.6 | 0 | 0 | 0 | 111.1 | L126 T143 E144 K145 | L126-P141 HydrophobicContact CD2-CG 3.89Å; P141-T143 PolarHBondContact O-N 2.79Å; P141-T143 VanDerWaalsContact O-N 3.08Å; P141-E144 PolarHBondContact O-N 3.38Å; P141-K145 PolarHBondContact O-N 2.74Å; P141-K145 VanDerWaalsContact O-N 3.12Å | ||
| 142 | H | 94.3 | Very high | 92.9 | Very high | 31 Ų | 31 | 64.8 Ų | 64.8 | 14% | 0.144 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.1 | -26.9 | 180 | 71.9 | 90.5 | 0 | 0 | 0 | 113.7 | L80 N123 F127 | L80-H142 HydrophobicContact CB-CB 4.46Å; L80-H142 HydrophobicContact CD1-CB 4.32Å; L80-H142 HydrophobicContact CD2-CB 3.83Å; L80-H142 HydrophobicContact CG-CB 4.41Å; N123-H142 PolarHBondContact OD1-NE2 2.78Å; F127-H142 HydrophobicContact CD2-CB 3.99Å; F127-H142 HydrophobicContact CE2-CB 3.88Å |
| 143 | T | 95.2 | Very high | 92.6 | Very high | 89 Ų | 89 | 70.6 Ų | 70.6 | 55% | 0.546 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -69.3 | -29.5 | 178.4 | 48.3 | 0 | 0 | 0 | 0 | 113.6 | P141 | P141-T143 PolarHBondContact O-N 2.79Å; P141-T143 VanDerWaalsContact O-N 3.08Å |
| 144 | E | 95.5 | Very high | 92.5 | Very high | 103 Ų | 103 | 69.3 Ų | 69.3 | 48% | 0.481 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -104.2 | -14.9 | -175.6 | -66 | 171.7 | -154.3 | 0 | 0 | 112.3 | P141 A146 D147 H148 | P141-E144 PolarHBondContact O-N 3.38Å; E144-A146 VanDerWaalsContact C-N 3.33Å; E144-A146 PolarHBondContact O-N 2.98Å; E144-D147 PolarHBondContact O-N 3.36Å; E144-H148 PolarHBondContact O-N 3.24Å |
| 145 | K | 94.3 | Very high | 92.6 | Very high | 5 Ų | 5 | 69.9 Ų | 69.9 | 2% | 0.022 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.5 | -41.6 | -176.4 | 175.4 | 169.1 | 163.8 | 66.7 | 0 | 112.9 | L80 F127 P128 P141 E149 | L80-K145 HydrophobicContact CD1-CD 4.02Å; F127-K145 HydrophobicContact CB-CD 3.75Å; P128-K145 PolarHBondContact O-NZ 3.33Å; P141-K145 PolarHBondContact O-N 2.74Å; P141-K145 VanDerWaalsContact O-N 3.12Å; K145-E149 WeakPolarHBondContact CE-OE1 3.47Å; K145-E149 HydrophobicContact CG-CG 4.44Å; K145-E149 IonicContact NZ-OE1 2.6Å; K145-E149 PolarHBondContact NZ-OE1 3.21Å; K145-E149 WeakPolarHBondContact O-CB 3.35Å; K145-E149 VanDerWaalsContact O-CG 3.24Å; K145-E149 WeakPolarHBondContact O-CG 3.47Å; K145-E149 PolarHBondContact O-N 3.32Å |
| 146 | A | 92.2 | Very high | 92.6 | Very high | 64 Ų | 64 | 70 Ų | 70 | 53% | 0.529 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.4 | -47.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E144 H148 E149 E150 | E144-A146 VanDerWaalsContact C-N 3.33Å; E144-A146 PolarHBondContact O-N 2.98Å; A146-H148 VanDerWaalsContact C-N 3.34Å; A146-H148 PolarHBondContact O-N 2.85Å; A146-E149 PolarHBondContact O-N 3.46Å; A146-E150 PolarHBondContact O-N 3.41Å; A146-E150 VanDerWaalsContact O-N 3.09Å |
| 147 | D | 92.8 | Very high | 92.5 | Very high | 105 Ų | 105 | 71 Ų | 71 | 56% | 0.561 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62.7 | -42.4 | -179.9 | -59 | -16.1 | 0 | 0 | 0 | 111.1 | E144 E150 | E144-D147 PolarHBondContact O-N 3.36Å; D147-E150 PolarHBondContact O-N 3.04Å |
| 148 | H | 93.6 | Very high | 92.3 | Very high | 40 Ų | 40 | 64.6 Ų | 64.6 | 19% | 0.185 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.4 | -47.1 | 173.8 | 169.5 | 68.8 | 0 | 0 | 0 | 112.3 | C129 C136 I138 L140 E144 A146 E150 L151 C152 | C129-H148 PolarHBondContact SG-NE2 2.74Å; C129-H148 VanDerWaalsContact SG-NE2 3.43Å; C136-H148 PolarHBondContact SG-NE2 3.43Å; C136-H148 VanDerWaalsContact SG-NE2 3.43Å; I138-H148 VanDerWaalsContact CD1-CE1 3.46Å; I138-H148 WeakPolarHBondContact CD1-CE1 3.48Å; L140-H148 HydrophobicContact CD1-CB 3.24Å; E144-H148 PolarHBondContact O-N 3.24Å; A146-H148 VanDerWaalsContact C-N 3.34Å; A146-H148 PolarHBondContact O-N 2.85Å; H148-E150 PolarHBondContact O-N 3.3Å; H148-L151 CarbonylContact O-C 3.55Å; H148-L151 PolarHBondContact O-N 3.12Å; H148-L151 VanDerWaalsContact O-N 3.08Å; H148-C152 PolarHBondContact NE2-SG 2.9Å; H148-C152 WeakPolarHBondContact O-CA 3.3Å; H148-C152 WeakPolarHBondContact O-CB 3.47Å; H148-C152 PolarHBondContact O-N 2.88Å |
| 149 | E | 92.3 | Very high | 92.2 | Very high | 16 Ų | 16 | 61.8 Ų | 61.8 | 8% | 0.075 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.8 | -26.8 | -177.2 | -76.7 | 179.2 | 173.2 | 0 | 0 | 113.5 | K130 Y131 K145 A146 L151 | K130-E149 VanDerWaalsContact CB-OE1 3.28Å; K130-E149 WeakPolarHBondContact CB-OE1 3.11Å; K130-E149 HydrophobicContact CD-CG 4.35Å; K130-E149 WeakPolarHBondContact CD-OE2 3.45Å; K130-E149 VanDerWaalsContact CE-OE2 3.26Å; K130-E149 WeakPolarHBondContact CE-OE2 3.31Å; K130-E149 VanDerWaalsContact CG-CD 3.5Å; K130-E149 HydrophobicContact CG-CG 4.08Å; K130-E149 WeakPolarHBondContact CG-OE1 3.26Å; K130-E149 PolarHBondContact N-OE1 3.4Å; K130-E149 IonicContact NZ-OE2 2.75Å; K130-E149 PolarHBondContact NZ-OE2 2.71Å; Y131-E149 HydrophobicContact CE2-CB 4.16Å; Y131-E149 HydrophobicContact CE2-CG 4.38Å; Y131-E149 WeakPolarHBondContact CE2-O 3.37Å; K145-E149 WeakPolarHBondContact CE-OE1 3.47Å; K145-E149 HydrophobicContact CG-CG 4.44Å; K145-E149 IonicContact NZ-OE1 2.6Å; K145-E149 PolarHBondContact NZ-OE1 3.21Å; K145-E149 WeakPolarHBondContact O-CB 3.35Å; K145-E149 VanDerWaalsContact O-CG 3.24Å; K145-E149 WeakPolarHBondContact O-CG 3.47Å; K145-E149 PolarHBondContact O-N 3.32Å; A146-E149 PolarHBondContact O-N 3.46Å; E149-L151 VanDerWaalsContact C-N 3.26Å; E149-L151 PolarHBondContact O-N 3.16Å |
| 150 | E | 87.2 | Confident | 92 | Very high | 122 Ų | 122 | 59.8 Ų | 59.8 | 57% | 0.57 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -65.2 | -35.2 | 173.3 | -172 | 169 | -172.1 | 0 | 0 | 111.6 | A146 D147 H148 R155 | A146-E150 PolarHBondContact O-N 3.41Å; A146-E150 VanDerWaalsContact O-N 3.09Å; D147-E150 PolarHBondContact O-N 3.04Å; H148-E150 PolarHBondContact O-N 3.3Å; E150-R155 PolarHBondContact O-NH1 3.03Å |
| 151 | L | 85.1 | Confident | 91.6 | Very high | 129 Ų | 129 | 59.4 Ų | 59.4 | 68% | 0.675 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -108.5 | 8.7 | -173.6 | -55.8 | 174.3 | 0 | 0 | 0 | 113.6 | H148 E149 E153 | H148-L151 CarbonylContact O-C 3.55Å; H148-L151 PolarHBondContact O-N 3.12Å; H148-L151 VanDerWaalsContact O-N 3.08Å; E149-L151 VanDerWaalsContact C-N 3.26Å; E149-L151 PolarHBondContact O-N 3.16Å; L151-E153 PolarHBondContact O-N 3.35Å |
| 152 | C | 89.9 | Confident | 90.7 | Very high | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.014 | 31% | 0.309 | C | S | . | . | trans | -70.4 | 125 | -172.8 | -176.2 | 0 | 0 | 0 | 0 | 111 | Y131 H148 F154 R155 H275 | Y131-C152 HydrophobicContact CD2-CB 3.69Å; Y131-C152 HydrophobicContact CE2-CB 4.03Å; H148-C152 PolarHBondContact NE2-SG 2.9Å; H148-C152 WeakPolarHBondContact O-CA 3.3Å; H148-C152 WeakPolarHBondContact O-CB 3.47Å; H148-C152 PolarHBondContact O-N 2.88Å; C152-F154 PolarHBondContact O-N 3.05Å; C152-F154 VanDerWaalsContact O-N 3.09Å; C152-R155 HydrophobicContact CB-CB 4.41Å; C152-R155 WeakPolarHBondContact O-CB 3.09Å; C152-R155 PolarHBondContact O-N 3.03Å; C152-H275 PolarHBondContact O-CE1 3.45Å; C152-H275 VanDerWaalsContact O-CE1 3.23Å; C152-H275 PolarHBondContact O-NE2 3.4Å | ||
| 153 | E | 86.1 | Confident | 89.5 | Confident | 169 Ų | 169 | 60.6 Ų | 60.6 | 79% | 0.79 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -25.3 | -179.6 | -61.5 | -173.8 | 156.7 | 0 | 0 | 113.8 | L151 R155 | L151-E153 PolarHBondContact O-N 3.35Å; E153-R155 VanDerWaalsContact C-N 3.3Å |
| 154 | F | 89.3 | Confident | 87.9 | Confident | 90 Ų | 90 | 58.2 Ų | 58.2 | 40% | 0.395 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 0 | 177.8 | -60.7 | -82.8 | 0 | 0 | 0 | 113.4 | S134 G135 C136 C152 P156 | S134-F154 WeakPolarHBondContact O-CD1 3.49Å; G135-F154 VanDerWaalsContact O-CZ 3.32Å; G135-F154 WeakPolarHBondContact O-CZ 3.41Å; C136-F154 VanDerWaalsContact CA-CD2 3.48Å; C136-F154 HydrophobicContact CB-CB 4.02Å; C136-F154 HydrophobicContact CB-CD2 3.5Å; C136-F154 HydrophobicContact CB-CE2 4.22Å; C136-F154 HydrophobicContact CB-CG 3.95Å; C152-F154 PolarHBondContact O-N 3.05Å; C152-F154 VanDerWaalsContact O-N 3.09Å; F154-P156 WeakPolarHBondContact O-CD 3.28Å |
| 155 | R | 91.1 | Very high | 86.9 | Confident | 74 Ų | 74 | 58.8 Ų | 58.8 | 28% | 0.279 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -63.1 | 128.2 | 175.3 | 169.8 | 172.4 | 172.8 | -156.6 | -3.2 | 110 | Y131 E150 C152 E153 | Y131-R155 HydrophobicContact CD2-CB 4.02Å; Y131-R155 HydrophobicContact CE1-CB 4.22Å; Y131-R155 HydrophobicContact CE1-CG 4.22Å; Y131-R155 HydrophobicContact CE2-CB 3.56Å; Y131-R155 HydrophobicContact CE2-CG 3.97Å; Y131-R155 WeakPolarHBondContact OH-CD 3.43Å; Y131-R155 WeakPolarHBondContact OH-CG 3.38Å; E150-R155 PolarHBondContact O-NH1 3.03Å; C152-R155 HydrophobicContact CB-CB 4.41Å; C152-R155 WeakPolarHBondContact O-CB 3.09Å; C152-R155 PolarHBondContact O-N 3.03Å; E153-R155 VanDerWaalsContact C-N 3.3Å |
| 156 | P | 92 | Very high | 86.7 | Confident | 38 Ų | 38 | 60.3 Ų | 60.3 | 25% | 0.247 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 140 | 171.7 | -23.7 | 34.1 | 0 | 0 | 0 | 111.8 | Y131 F154 Q169 G170 | Y131-P156 HydrophobicContact CE1-CG 4.44Å; F154-P156 WeakPolarHBondContact O-CD 3.28Å; P156-Q169 HydrophobicContact CB-CB 4.37Å; P156-G170 CarbonylContact C-O 3.56Å |
| 157 | Y | 91.6 | Very high | 86.6 | Confident | 24 Ų | 24 | 66 Ų | 66 | 9% | 0.094 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 133.5 | 174.7 | -69.1 | -92.5 | 0 | 0 | 0 | 109.4 | Q169 G170 L172 V175 I274 H275 | Y157-Q169 CarbonylContact O-C 3.53Å; Y157-Q169 WeakPolarHBondContact O-CA 3.45Å; Y157-G170 PolarHBondContact N-O 3Å; Y157-G170 PolarHBondContact O-N 3.34Å; Y157-L172 HydrophobicContact CD2-CB 4.02Å; Y157-L172 HydrophobicContact CE1-CD1 4.18Å; Y157-L172 HydrophobicContact CE2-CB 3.71Å; Y157-L172 HydrophobicContact CE2-CD1 4.24Å; Y157-L172 HydrophobicContact CE2-CG 4.45Å; Y157-V175 HydrophobicContact CG-CG2 4.34Å; Y157-I274 HydrophobicContact CD1-CB 4.42Å; Y157-I274 HydrophobicContact CD1-CD1 3.46Å; Y157-I274 VanDerWaalsContact CD1-CD1 3.46Å; Y157-I274 HydrophobicContact CD1-CG1 3.62Å; Y157-I274 HydrophobicContact CE1-CD1 3.89Å; Y157-I274 HydrophobicContact CE1-CG1 3.69Å; Y157-I274 HydrophobicContact CG-CD1 4.18Å; Y157-H275 HydrophobicContact CE1-CB 3.71Å; Y157-H275 AromaticContact CE1-ND1 3.7Å; Y157-H275 AromaticContact CZ-ND1 3.74Å |
| 158 | S | 91.4 | Very high | 86.7 | Confident | 51 Ų | 51 | 64.2 Ų | 64.2 | 36% | 0.357 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 160.7 | 168.2 | -60.6 | 0 | 0 | 0 | 0 | 109.8 | P160 | S158-P160 WeakPolarHBondContact O-CD 3.26Å |
| 159 | C | 93.1 | Very high | 86.7 | Confident | 19 Ų | 19 | 68.4 Ų | 68.4 | 13% | 0.128 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -52 | 123.9 | 173.4 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | C161 C166 W168 H178 H183 | C159-C161 VanDerWaalsContact C-N 3.26Å; C159-C161 PolarHBondContact O-N 2.99Å; C159-C161 VanDerWaalsContact SG-CB 3.6Å; C159-C166 HydrophobicContact CB-CB 3.97Å; C159-W168 HydrophobicContact CB-CE3 4.42Å; C159-W168 PolarHBondContact N-O 2.82Å; C159-W168 VanDerWaalsContact N-O 3.11Å; C159-H178 PolarHBondContact SG-NE2 2.8Å; C159-H183 PolarHBondContact SG-NE2 2.99Å |
| 160 | P | 92.1 | Very high | 86.7 | Confident | 16 Ų | 16 | 68.4 Ų | 68.4 | 10% | 0.104 | 38% | 0.376 | C | S | . | . | trans | -82.4 | 0.8 | -176.6 | 33.1 | -36.7 | 0 | 0 | 0 | 113.9 | S158 P162 V175 L179 M221 Q241 I243 I274 | S158-P160 WeakPolarHBondContact O-CD 3.26Å; P160-P162 WeakPolarHBondContact O-CD 3.49Å; P160-V175 HydrophobicContact CG-CG1 3.86Å; P160-L179 HydrophobicContact CG-CD1 3.99Å; P160-L179 HydrophobicContact CG-CD2 4.17Å; P160-L179 HydrophobicContact CG-CG 4.46Å; P160-M221 HydrophobicContact CB-CE 4.35Å; P160-M221 HydrophobicContact CG-CE 3.87Å; P160-Q241 PolarHBondContact O-NE2 3.2Å; P160-I243 HydrophobicContact CB-CD1 4.43Å; P160-I243 HydrophobicContact CG-CD1 3.97Å; P160-I274 HydrophobicContact CB-CB 4.26Å; P160-I274 HydrophobicContact CB-CG2 3.57Å; P160-I274 HydrophobicContact CG-CG2 4.25Å | ||
| 161 | C | 87 | Confident | 86.9 | Confident | 22 Ų | 22 | 66.1 Ų | 66.1 | 15% | 0.149 | 37% | 0.373 | C | S | . | . | trans | -72.8 | 121.6 | -179.2 | -171.8 | 0 | 0 | 0 | 0 | 110.7 | C159 A164 | C159-C161 VanDerWaalsContact C-N 3.26Å; C159-C161 PolarHBondContact O-N 2.99Å; C159-C161 VanDerWaalsContact SG-CB 3.6Å; C161-A164 HydrophobicContact CB-CB 4.16Å | ||
| 162 | P | 79.6 | Confident | 87.2 | Confident | 22 Ų | 22 | 61.8 Ų | 61.8 | 14% | 0.143 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | 154.9 | 173.3 | 29.1 | -35.3 | 0 | 0 | 0 | 111 | P160 A164 D208 V210 V223 | P160-P162 WeakPolarHBondContact O-CD 3.49Å; P162-A164 PolarHBondContact O-N 3.06Å; P162-D208 HydrophobicContact CG-CB 4.42Å; P162-V210 HydrophobicContact CG-CG2 3.37Å; P162-V223 HydrophobicContact CB-CG1 4.38Å; P162-V223 HydrophobicContact CG-CG1 3.85Å; P162-V223 HydrophobicContact CG-CG2 4.06Å |
| 163 | G | 67.4 | Low | 87.3 | Confident | 73 Ų | 73 | 68.4 Ų | 68.4 | 75% | 0.753 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | -9.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 164 | A | 61.8 | Low | 87.7 | Confident | 38 Ų | 38 | 61.9 Ų | 61.9 | 31% | 0.314 | 36% | 0.361 | S | S | . | . | trans | -79.3 | 132.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | C161 P162 C166 | C161-A164 HydrophobicContact CB-CB 4.16Å; P162-A164 PolarHBondContact O-N 3.06Å; A164-C166 HydrophobicContact CB-CB 3.92Å; A164-C166 PolarHBondContact O-N 3.02Å | ||
| 165 | S | 75.1 | Confident | 88 | Confident | 116 Ų | 116 | 57.6 Ų | 57.6 | 81% | 0.811 | 34% | 0.342 | S | S | * | . | trans | -67.3 | 17.7 | 165.1 | 60.9 | 0 | 0 | 0 | 0 | 113.2 | K167 | S165-K167 PolarHBondContact O-N 2.62Š| ||
| 166 | C | 89.9 | Confident | 88.1 | Confident | 36 Ų | 36 | 55.4 Ų | 55.4 | 24% | 0.243 | 34% | 0.335 | C | S | . | . | trans | -70.5 | 125.1 | -178.4 | -170.4 | 0 | 0 | 0 | 0 | 110.1 | C159 A164 W168 H178 | C159-C166 HydrophobicContact CB-CB 3.97Å; A164-C166 HydrophobicContact CB-CB 3.92Å; A164-C166 PolarHBondContact O-N 3.02Å; C166-W168 VanDerWaalsContact SG-CB 3.58Å; C166-H178 PolarHBondContact SG-CE1 3.1Å | ||
| 167 | K | 90.7 | Very high | 88.3 | Confident | 184 Ų | 184 | 56.6 Ų | 56.6 | 80% | 0.8 | 34% | 0.343 | S | S | * | . | trans | -107.5 | 16.7 | 177.9 | -58 | -57.2 | -179.1 | -169.1 | 0 | 112.3 | S165 | S165-K167 PolarHBondContact O-N 2.62Š| ||
| 168 | W | 94.3 | Very high | 88.5 | Confident | 67 Ų | 67 | 56 Ų | 56 | 25% | 0.254 | 34% | 0.341 | S | S | . | . | trans | -65.4 | 139.2 | 179.2 | 179.3 | 88.6 | 0 | 0 | 0 | 110.8 | C159 C166 A174 V175 H178 | C159-W168 HydrophobicContact CB-CE3 4.42Å; C159-W168 PolarHBondContact N-O 2.82Å; C159-W168 VanDerWaalsContact N-O 3.11Å; C166-W168 VanDerWaalsContact SG-CB 3.58Å; W168-A174 HydrophobicContact CH2-CB 4.08Å; W168-A174 HydrophobicContact CZ2-CB 3.69Å; W168-A174 WeakPolarHBondContact CZ2-O 3.47Å; W168-V175 HydrophobicContact CH2-CB 4.32Å; W168-V175 HydrophobicContact CH2-CG2 3.82Å; W168-V175 HydrophobicContact CZ3-CB 4.45Å; W168-V175 HydrophobicContact CZ3-CG2 3.9Å; W168-H178 VanDerWaalsContact CB-CE1 3.4Å; W168-H178 WeakPolarHBondContact CB-CE1 3.47Å; W168-H178 AromaticContact CD1-ND1 3.59Å; W168-H178 HydrophobicContact CD2-CB 3.9Å; W168-H178 AromaticContact CD2-CD2 3.67Å; W168-H178 AromaticContact CD2-CG 3.43Å; W168-H178 VanDerWaalsContact CD2-CG 3.43Å; W168-H178 AromaticContact CD2-ND1 3.66Å; W168-H178 AromaticContact CE2-CG 3.72Å; W168-H178 HydrophobicContact CE3-CB 4.26Å; W168-H178 AromaticContact CE3-CD2 3.55Å; W168-H178 AromaticContact CE3-CG 3.77Å; W168-H178 HydrophobicContact CG-CB 4.45Å; W168-H178 AromaticContact CG-CE1 3.54Å; W168-H178 AromaticContact CG-CG 3.69Å; W168-H178 AromaticContact CG-ND1 3.36Å; W168-H178 AromaticContact CG-NE2 3.94Å; W168-H178 HydrophobicContact CH2-CB 4.2Å; W168-H178 HydrophobicContact CZ2-CB 3.82Å; W168-H178 HydrophobicContact CZ3-CB 4.41Å; W168-H178 AromaticContact NE1-ND1 3.97Å | ||
| 169 | Q | 93.1 | Very high | 88.6 | Confident | 128 Ų | 128 | 53.9 Ų | 53.9 | 60% | 0.598 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 146.1 | 172 | -65.8 | -176.5 | -6.2 | 0 | 0 | 109.4 | P156 Y157 | P156-Q169 HydrophobicContact CB-CB 4.37Å; Y157-Q169 CarbonylContact O-C 3.53Å; Y157-Q169 WeakPolarHBondContact O-CA 3.45Å |
| 170 | G | 92.5 | Very high | 88.5 | Confident | 17 Ų | 17 | 59.1 Ų | 59.1 | 18% | 0.175 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.2 | -172.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | P156 Y157 | P156-G170 CarbonylContact C-O 3.56Å; Y157-G170 PolarHBondContact N-O 3Å; Y157-G170 PolarHBondContact O-N 3.34Å |
| 171 | S | 91.8 | Very high | 88.5 | Confident | 73 Ų | 73 | 64.4 Ų | 64.4 | 51% | 0.51 | 37% | 0.373 | S | S | . | . | trans | -71.9 | 163.1 | 171 | 60.2 | 0 | 0 | 0 | 0 | 111.2 | D173 A174 V175 | S171-D173 VanDerWaalsContact C-N 3.32Å; S171-D173 PolarHBondContact O-N 3.1Å; S171-A174 WeakPolarHBondContact O-CB 3.44Å; S171-A174 PolarHBondContact O-N 2.73Å; S171-V175 PolarHBondContact O-N 3.21Å | ||
| 172 | L | 91.3 | Very high | 88.7 | Confident | 39 Ų | 39 | 70 Ų | 70 | 20% | 0.204 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -54.6 | -46.8 | 178.6 | -178 | 58.6 | 0 | 0 | 0 | 112.1 | Y157 A174 V175 I243 T245 I274 | Y157-L172 HydrophobicContact CD2-CB 4.02Å; Y157-L172 HydrophobicContact CE1-CD1 4.18Å; Y157-L172 HydrophobicContact CE2-CB 3.71Å; Y157-L172 HydrophobicContact CE2-CD1 4.24Å; Y157-L172 HydrophobicContact CE2-CG 4.45Å; L172-A174 PolarHBondContact O-N 2.91Å; L172-A174 VanDerWaalsContact O-N 3.13Å; L172-V175 WeakPolarHBondContact O-CB 3.43Å; L172-V175 WeakPolarHBondContact O-CG2 3.46Å; L172-V175 PolarHBondContact O-N 2.87Å; L172-I243 HydrophobicContact CD1-CG2 4.37Å; L172-T245 HydrophobicContact CD2-CG2 4.24Å; L172-I274 HydrophobicContact CD1-CD1 3.74Å; L172-I274 HydrophobicContact CD1-CG1 4.45Å |
| 173 | D | 92.1 | Very high | 89.3 | Confident | 140 Ų | 140 | 70.2 Ų | 70.2 | 75% | 0.749 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -63.6 | -21.2 | -179 | -57.4 | -28.7 | 0 | 0 | 0 | 113.1 | S171 P177 | S171-D173 VanDerWaalsContact C-N 3.32Å; S171-D173 PolarHBondContact O-N 3.1Å; D173-P177 WeakPolarHBondContact O-CD 3.27Å; D173-P177 WeakPolarHBondContact O-CG 3.43Å |
| 174 | A | 94.9 | Very high | 90.2 | Very high | 32 Ų | 32 | 75.1 Ų | 75.1 | 26% | 0.264 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -87.1 | -11.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | W168 S171 L172 H178 | W168-A174 HydrophobicContact CH2-CB 4.08Å; W168-A174 HydrophobicContact CZ2-CB 3.69Å; W168-A174 WeakPolarHBondContact CZ2-O 3.47Å; S171-A174 WeakPolarHBondContact O-CB 3.44Å; S171-A174 PolarHBondContact O-N 2.73Å; L172-A174 PolarHBondContact O-N 2.91Å; L172-A174 VanDerWaalsContact O-N 3.13Å; A174-H178 VanDerWaalsContact O-CB 3.24Å; A174-H178 WeakPolarHBondContact O-CB 3.36Å; A174-H178 PolarHBondContact O-N 3.12Å |
| 175 | V | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.7 | -52.4 | -177 | 178.3 | 0 | 0 | 0 | 0 | 111.7 | Y157 P160 W168 S171 L172 H178 L179 I243 I274 | Y157-V175 HydrophobicContact CG-CG2 4.34Å; P160-V175 HydrophobicContact CG-CG1 3.86Å; W168-V175 HydrophobicContact CH2-CB 4.32Å; W168-V175 HydrophobicContact CH2-CG2 3.82Å; W168-V175 HydrophobicContact CZ3-CB 4.45Å; W168-V175 HydrophobicContact CZ3-CG2 3.9Å; S171-V175 PolarHBondContact O-N 3.21Å; L172-V175 WeakPolarHBondContact O-CB 3.43Å; L172-V175 WeakPolarHBondContact O-CG2 3.46Å; L172-V175 PolarHBondContact O-N 2.87Å; V175-H178 WeakPolarHBondContact O-CB 3.47Å; V175-H178 PolarHBondContact O-N 2.85Å; V175-L179 HydrophobicContact CG1-CD1 4.17Å; V175-L179 HydrophobicContact CG1-CG 4.48Å; V175-L179 WeakPolarHBondContact O-CG 3.39Å; V175-L179 PolarHBondContact O-N 3.17Å; V175-I243 HydrophobicContact CB-CG2 4.09Å; V175-I243 HydrophobicContact CG1-CD1 4.43Å; V175-I243 HydrophobicContact CG1-CG2 3.86Å; V175-I274 HydrophobicContact CB-CD1 4.45Å; V175-I274 HydrophobicContact CG1-CD1 4.08Å; V175-I274 HydrophobicContact CG2-CD1 3.98Å |
| 176 | M | 94.4 | Very high | 92.1 | Very high | 29 Ų | 29 | 74.1 Ų | 74.1 | 14% | 0.143 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.7 | -47.5 | -180 | -76.5 | -58.5 | -60.5 | 0 | 0 | 112.8 | H178 L179 M180 M212 H219 I243 | M176-H178 VanDerWaalsContact C-N 3.27Å; M176-H178 PolarHBondContact O-N 3.45Å; M176-L179 PolarHBondContact O-N 3.11Å; M176-L179 HydrophobicContact SD-CD1 4.14Å; M176-M180 WeakPolarHBondContact O-CG 3.32Å; M176-M180 PolarHBondContact O-N 2.96Å; M176-M212 HydrophobicContact CE-CE 4.34Å; M176-M212 HydrophobicContact SD-CE 3.92Å; M176-H219 HydrophobicContact CE-CB 3.97Å; M176-H219 HydrophobicContact CG-CB 4.39Å; M176-H219 HydrophobicContact SD-CB 3.62Å; M176-I243 HydrophobicContact CG-CG2 3.99Å; M176-I243 HydrophobicContact SD-CB 4.41Å; M176-I243 HydrophobicContact SD-CG1 3.95Å; M176-I243 HydrophobicContact SD-CG2 4.22Å |
| 177 | P | 95.2 | Very high | 92.2 | Very high | 62 Ų | 62 | 76.2 Ų | 76.2 | 40% | 0.403 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -53.4 | -44.6 | 170.6 | -27.7 | 34.7 | 0 | 0 | 0 | 112.4 | D173 L179 M180 H181 | D173-P177 WeakPolarHBondContact O-CD 3.27Å; D173-P177 WeakPolarHBondContact O-CG 3.43Å; P177-L179 PolarHBondContact O-N 3.42Å; P177-M180 PolarHBondContact O-N 2.9Å; P177-H181 PolarHBondContact O-N 3.27Å; P177-H181 VanDerWaalsContact O-N 3.14Å; P177-H181 PolarHBondContact O-ND1 3.47Å |
| 178 | H | 95.2 | Very high | 92.4 | Very high | 12 Ų | 12 | 70.4 Ų | 70.4 | 6% | 0.056 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.8 | -49.4 | 177 | 162.8 | 66.2 | 0 | 0 | 0 | 112.4 | C159 C166 W168 A174 V175 M176 M180 H181 Q182 H183 | C159-H178 PolarHBondContact SG-NE2 2.8Å; C166-H178 PolarHBondContact SG-CE1 3.1Å; W168-H178 VanDerWaalsContact CB-CE1 3.4Å; W168-H178 WeakPolarHBondContact CB-CE1 3.47Å; W168-H178 AromaticContact CD1-ND1 3.59Å; W168-H178 HydrophobicContact CD2-CB 3.9Å; W168-H178 AromaticContact CD2-CD2 3.67Å; W168-H178 AromaticContact CD2-CG 3.43Å; W168-H178 VanDerWaalsContact CD2-CG 3.43Å; W168-H178 AromaticContact CD2-ND1 3.66Å; W168-H178 AromaticContact CE2-CG 3.72Å; W168-H178 HydrophobicContact CE3-CB 4.26Å; W168-H178 AromaticContact CE3-CD2 3.55Å; W168-H178 AromaticContact CE3-CG 3.77Å; W168-H178 HydrophobicContact CG-CB 4.45Å; W168-H178 AromaticContact CG-CE1 3.54Å; W168-H178 AromaticContact CG-CG 3.69Å; W168-H178 AromaticContact CG-ND1 3.36Å; W168-H178 AromaticContact CG-NE2 3.94Å; W168-H178 HydrophobicContact CH2-CB 4.2Å; W168-H178 HydrophobicContact CZ2-CB 3.82Å; W168-H178 HydrophobicContact CZ3-CB 4.41Å; W168-H178 AromaticContact NE1-ND1 3.97Å; A174-H178 VanDerWaalsContact O-CB 3.24Å; A174-H178 WeakPolarHBondContact O-CB 3.36Å; A174-H178 PolarHBondContact O-N 3.12Å; V175-H178 WeakPolarHBondContact O-CB 3.47Å; V175-H178 PolarHBondContact O-N 2.85Å; M176-H178 VanDerWaalsContact C-N 3.27Å; M176-H178 PolarHBondContact O-N 3.45Å; H178-M180 PolarHBondContact O-N 2.99Å; H178-H181 PolarHBondContact O-N 3.19Å; H178-Q182 WeakPolarHBondContact O-CB 3.24Å; H178-Q182 PolarHBondContact O-N 2.99Å; H178-H183 AromaticContact CE1-CD2 3.94Å; H178-H183 AromaticContact CE1-NE2 3.69Å; H178-H183 AromaticContact NE2-CD2 3.62Å; H178-H183 AromaticContact NE2-NE2 3.36Å; H178-H183 PolarHBondContact NE2-NE2 3.41Å |
| 179 | L | 93.5 | Very high | 92.5 | Very high | 6 Ų | 6 | 70.2 Ų | 70.2 | 3% | 0.031 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.8 | -46.1 | 179.5 | -68.7 | 173.9 | 0 | 0 | 0 | 111.9 | P160 V175 M176 P177 H181 H183 I186 M212 M221 I243 | P160-L179 HydrophobicContact CG-CD1 3.99Å; P160-L179 HydrophobicContact CG-CD2 4.17Å; P160-L179 HydrophobicContact CG-CG 4.46Å; V175-L179 HydrophobicContact CG1-CD1 4.17Å; V175-L179 HydrophobicContact CG1-CG 4.48Å; V175-L179 WeakPolarHBondContact O-CG 3.39Å; V175-L179 PolarHBondContact O-N 3.17Å; M176-L179 PolarHBondContact O-N 3.11Å; M176-L179 HydrophobicContact SD-CD1 4.14Å; P177-L179 PolarHBondContact O-N 3.42Å; L179-H181 VanDerWaalsContact C-N 3.28Å; L179-H181 PolarHBondContact O-N 3.46Å; L179-H183 CarbonylContact O-C 3.49Å; L179-H183 VanDerWaalsContact O-CA 3.27Å; L179-H183 WeakPolarHBondContact O-CA 3.3Å; L179-H183 VanDerWaalsContact O-CB 3.32Å; L179-H183 WeakPolarHBondContact O-CB 3.5Å; L179-H183 PolarHBondContact O-N 3.19Å; L179-I186 HydrophobicContact CD2-CD1 4.29Å; L179-M212 HydrophobicContact CD1-SD 4.41Å; L179-M221 HydrophobicContact CD1-CE 3.6Å; L179-M221 HydrophobicContact CD2-CE 3.97Å; L179-M221 HydrophobicContact CG-CE 4.45Å; L179-I243 HydrophobicContact CD1-CD1 4.36Å |
| 180 | M | 91.4 | Very high | 92.7 | Very high | 130 Ų | 130 | 70.7 Ų | 70.7 | 64% | 0.64 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -63.1 | -33.2 | 180 | -67.4 | 176.4 | 71 | 0 | 0 | 113.2 | M176 P177 H178 | M176-M180 WeakPolarHBondContact O-CG 3.32Å; M176-M180 PolarHBondContact O-N 2.96Å; P177-M180 PolarHBondContact O-N 2.9Å; H178-M180 PolarHBondContact O-N 2.99Å |
| 181 | H | 91.9 | Very high | 93 | Very high | 126 Ų | 126 | 71.3 Ų | 71.3 | 58% | 0.583 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -89.3 | -40.9 | -176.2 | -70.5 | 84 | 0 | 0 | 0 | 113.1 | P177 H178 L179 K184 | P177-H181 PolarHBondContact O-N 3.27Å; P177-H181 VanDerWaalsContact O-N 3.14Å; P177-H181 PolarHBondContact O-ND1 3.47Å; H178-H181 PolarHBondContact O-N 3.19Å; L179-H181 VanDerWaalsContact C-N 3.28Å; L179-H181 PolarHBondContact O-N 3.46Å; H181-K184 WeakPolarHBondContact O-CE 3.36Å |
| 182 | Q | 92.3 | Very high | 93.2 | Very high | 141 Ų | 141 | 73 Ų | 73 | 66% | 0.659 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -98.9 | -20.7 | -172.8 | -60 | -61.7 | -41.9 | 0 | 0 | 113.1 | H178 | H178-Q182 WeakPolarHBondContact O-CB 3.24Å; H178-Q182 PolarHBondContact O-N 2.99Å |
| 183 | H | 91.3 | Very high | 93.5 | Very high | 25 Ų | 25 | 76.2 Ų | 76.2 | 12% | 0.116 | 41% | 0.407 | C | S | . | . | trans | -123.8 | 54 | -177.1 | -59.8 | -91.9 | 0 | 0 | 0 | 111.7 | C159 H178 L179 S185 I186 | C159-H183 PolarHBondContact SG-NE2 2.99Å; H178-H183 AromaticContact CE1-CD2 3.94Å; H178-H183 AromaticContact CE1-NE2 3.69Å; H178-H183 AromaticContact NE2-CD2 3.62Å; H178-H183 AromaticContact NE2-NE2 3.36Å; H178-H183 PolarHBondContact NE2-NE2 3.41Å; L179-H183 CarbonylContact O-C 3.49Å; L179-H183 VanDerWaalsContact O-CA 3.27Å; L179-H183 WeakPolarHBondContact O-CA 3.3Å; L179-H183 VanDerWaalsContact O-CB 3.32Å; L179-H183 WeakPolarHBondContact O-CB 3.5Å; L179-H183 PolarHBondContact O-N 3.19Å; H183-S185 PolarHBondContact O-N 3.02Å; H183-I186 HydrophobicContact CB-CD1 3.52Å; H183-I186 HydrophobicContact CB-CG1 3.93Å; H183-I186 WeakPolarHBondContact O-CB 3.31Å; H183-I186 WeakPolarHBondContact O-CG1 3.32Å; H183-I186 PolarHBondContact O-N 2.95Å | ||
| 184 | K | 86.7 | Confident | 93.8 | Very high | 176 Ų | 176 | 70.4 Ų | 70.4 | 77% | 0.765 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -18.5 | -174.9 | -60.9 | -175 | -175.2 | -177.8 | 0 | 115.1 | H181 | H181-K184 WeakPolarHBondContact O-CE 3.36Š|
| 185 | S | 86.7 | Confident | 93.9 | Very high | 109 Ų | 109 | 72.6 Ų | 72.6 | 76% | 0.762 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -17.5 | 176.1 | 53.1 | 0 | 0 | 0 | 0 | 113.1 | H183 T187 | H183-S185 PolarHBondContact O-N 3.02Å; S185-T187 PolarHBondContact O-N 3.21Å |
| 186 | I | 90.1 | Very high | 94 | Very high | 24 Ų | 24 | 73 Ų | 73 | 12% | 0.123 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -75.3 | 111.2 | 179.8 | -55.4 | 177.7 | 0 | 0 | 0 | 108.7 | L179 H183 V210 M212 M221 | L179-I186 HydrophobicContact CD2-CD1 4.29Å; H183-I186 HydrophobicContact CB-CD1 3.52Å; H183-I186 HydrophobicContact CB-CG1 3.93Å; H183-I186 WeakPolarHBondContact O-CB 3.31Å; H183-I186 WeakPolarHBondContact O-CG1 3.32Å; H183-I186 PolarHBondContact O-N 2.95Å; I186-V210 HydrophobicContact CD1-CG1 4.24Å; I186-V210 HydrophobicContact CG1-CG1 4.49Å; I186-V210 HydrophobicContact CG2-CG1 4.28Å; I186-M212 HydrophobicContact CG2-CB 4.41Å; I186-M212 HydrophobicContact CG2-CG 3.59Å; I186-M221 HydrophobicContact CD1-CE 4.45Å |
| 187 | T | 92.8 | Very high | 94.1 | Very high | 80 Ų | 80 | 75.9 Ų | 75.9 | 49% | 0.491 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 139.5 | 177 | -59.1 | 0 | 0 | 0 | 0 | 109.8 | S185 L189 M212 | S185-T187 PolarHBondContact O-N 3.21Å; T187-L189 HydrophobicContact CG2-CD2 4.31Å; T187-M212 PolarHBondContact O-N 3.38Å |
| 188 | T | 94.8 | Very high | 94.2 | Very high | 63 Ų | 63 | 73 Ų | 73 | 39% | 0.387 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 124 | 174.3 | -55.6 | 0 | 0 | 0 | 0 | 110.2 | M212 | T188-M212 CarbonylContact C-O 3.57Å; T188-M212 VanDerWaalsContact CA-O 3.3Å; T188-M212 WeakPolarHBondContact CA-O 3.42Å; T188-M212 HydrophobicContact CG2-CB 4.01Å |
| 189 | L | 96.4 | Very high | 94.2 | Very high | 62 Ų | 62 | 75.6 Ų | 75.6 | 33% | 0.325 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 145.5 | 173.1 | -62.7 | -176.6 | 0 | 0 | 0 | 110.6 | T187 I194 M211 M212 Q213 S214 | T187-L189 HydrophobicContact CG2-CD2 4.31Å; L189-I194 HydrophobicContact CB-CD1 4.13Å; L189-I194 HydrophobicContact CB-CG2 4.36Å; L189-I194 HydrophobicContact CD1-CD1 4.14Å; L189-M211 HydrophobicContact CD1-CE 4.18Å; L189-M211 HydrophobicContact CD1-SD 3.56Å; L189-M211 VanDerWaalsContact CD1-SD 3.56Å; L189-M211 HydrophobicContact CG-SD 4.02Å; L189-M212 PolarHBondContact N-O 3.3Å; L189-Q213 CarbonylContact O-C 3.41Å; L189-Q213 WeakPolarHBondContact O-CA 3.41Å; L189-S214 PolarHBondContact O-N 3.06Å |
| 190 | Q | 97.4 | Very high | 94.2 | Very high | 138 Ų | 138 | 79.8 Ų | 79.8 | 65% | 0.645 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 142 | 177 | -64.4 | -67.1 | -29 | 0 | 0 | 109.6 | S214 | Q190-S214 VanDerWaalsContact NE2-CB 3.3Å; Q190-S214 PolarHBondContact NE2-OG 2.85Å; Q190-S214 VanDerWaalsContact OE1-CB 3.29Å; Q190-S214 PolarHBondContact OE1-O 3.08Å; Q190-S214 PolarHBondContact OE1-OG 3.35Å |
| 191 | G | 97.3 | Very high | 94.4 | Very high | 31 Ų | 31 | 73.6 Ų | 73.6 | 32% | 0.32 | 39% | 0.392 | S | S | . | . | S | Bend | trans | 121.8 | 154.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q213 S214 | G191-Q213 WeakPolarHBondContact O-CG 3.4Å; G191-Q213 PolarHBondContact O-NE2 3.27Å; G191-S214 PolarHBondContact N-O 2.79Å |
| 192 | E | 96.6 | Very high | 94.4 | Very high | 109 Ų | 109 | 71.1 Ų | 71.1 | 51% | 0.509 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -81.4 | -21.9 | 179.4 | 65.2 | -167.5 | -146.4 | 0 | 0 | 113 | Q213 C215 F216 T309 I310 | E192-Q213 PolarHBondContact O-NE2 3.48Å; E192-Q213 VanDerWaalsContact O-NE2 3.11Å; E192-C215 HydrophobicContact CB-CB 4.2Å; E192-F216 HydrophobicContact CB-CE2 3.95Å; E192-F216 HydrophobicContact CB-CZ 3.92Å; E192-F216 VanDerWaalsContact OE2-CZ 3.28Å; E192-F216 WeakPolarHBondContact OE2-CZ 3.48Å; E192-T309 CarbonylContact O-C 3.53Å; E192-T309 VanDerWaalsContact O-CA 3.29Å; E192-T309 WeakPolarHBondContact O-CA 3.41Å; E192-I310 PolarHBondContact O-N 3.01Å |
| 193 | D | 97.4 | Very high | 94.3 | Very high | 106 Ų | 106 | 68.3 Ų | 68.3 | 57% | 0.567 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 115.4 | 176.3 | -164.7 | 28.8 | 0 | 0 | 0 | 110 | V308 T309 | D193-V308 WeakPolarHBondContact CA-O 3.47Å; D193-T309 HydrophobicContact CB-CG2 4.43Å; D193-T309 PolarHBondContact OD1-OG1 3.26Å |
| 194 | I | 98.2 | Very high | 94.2 | Very high | 17 Ų | 17 | 72.6 Ų | 72.6 | 9% | 0.087 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 168.6 | -175.9 | 66.8 | 165.2 | 0 | 0 | 0 | 111.4 | L189 M211 Q213 L222 V308 | L189-I194 HydrophobicContact CB-CD1 4.13Å; L189-I194 HydrophobicContact CB-CG2 4.36Å; L189-I194 HydrophobicContact CD1-CD1 4.14Å; I194-M211 HydrophobicContact CD1-SD 4.41Å; I194-Q213 HydrophobicContact CD1-CB 3.78Å; I194-Q213 HydrophobicContact CD1-CG 3.69Å; I194-Q213 HydrophobicContact CG1-CG 4.23Å; I194-L222 HydrophobicContact CD1-CD1 3.86Å; I194-V308 HydrophobicContact CG1-CB 3.98Å; I194-V308 PolarHBondContact N-O 3.21Å; I194-V308 PolarHBondContact O-N 3.07Å |
| 195 | V | 97.7 | Very high | 94.2 | Very high | 79 Ų | 79 | 65.2 Ų | 65.2 | 48% | 0.479 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 116.2 | 169.8 | -172.6 | 0 | 0 | 0 | 0 | 109.6 | I306 | V195-I306 WeakPolarHBondContact CA-O 3.41Å |
| 196 | F | 97.5 | Very high | 94.3 | Very high | 8 Ų | 8 | 63.8 Ų | 63.8 | 4% | 0.035 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 108.6 | 169.7 | 173.8 | -151.6 | 0 | 0 | 0 | 109.5 | W209 M211 L222 L224 I306 V308 | F196-W209 HydrophobicContact CE2-CB 4.15Å; F196-W209 HydrophobicContact CZ-CB 3.61Å; F196-M211 HydrophobicContact CB-SD 4.41Å; F196-M211 HydrophobicContact CD2-CB 3.9Å; F196-M211 HydrophobicContact CD2-CE 3.94Å; F196-M211 HydrophobicContact CD2-SD 3.9Å; F196-M211 HydrophobicContact CE2-CB 3.88Å; F196-M211 HydrophobicContact CE2-CE 4.47Å; F196-M211 HydrophobicContact CG-SD 4.48Å; F196-L222 HydrophobicContact CB-CD1 4.46Å; F196-L222 HydrophobicContact CD1-CB 4.14Å; F196-L222 HydrophobicContact CE1-CB 4.25Å; F196-L224 HydrophobicContact CE1-CB 3.84Å; F196-L224 HydrophobicContact CZ-CB 4.21Å; F196-I306 HydrophobicContact CB-CB 4.36Å; F196-I306 HydrophobicContact CD1-CD1 4.24Å; F196-I306 PolarHBondContact N-O 3.05Å; F196-I306 PolarHBondContact O-N 3.25Å; F196-V308 HydrophobicContact CB-CG2 3.84Å |
| 197 | L | 96.6 | Very high | 94.4 | Very high | 90 Ų | 90 | 64.2 Ų | 64.2 | 47% | 0.471 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 108.4 | 179.3 | -171.2 | 68.3 | 0 | 0 | 0 | 110.8 | T199 N303 | L197-T199 HydrophobicContact CD2-CG2 4.37Å; L197-T199 HydrophobicContact CG-CG2 4.39Å; L197-N303 HydrophobicContact CD1-CB 3.87Å; L197-N303 HydrophobicContact CG-CB 4.39Å |
| 198 | A | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 111 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | I201 W209 L224 N303 L304 | A198-I201 HydrophobicContact CB-CG2 4.03Å; A198-I201 WeakPolarHBondContact O-CG2 3.43Å; A198-W209 HydrophobicContact CB-CB 4.4Å; A198-W209 HydrophobicContact CB-CD2 4.13Å; A198-W209 HydrophobicContact CB-CG 3.91Å; A198-L224 HydrophobicContact CB-CD2 3.44Å; A198-L224 VanDerWaalsContact CB-CD2 3.44Å; A198-N303 CarbonylContact O-C 3.58Å; A198-N303 WeakPolarHBondContact O-CA 3.14Å; A198-L304 HydrophobicContact CB-CB 4.4Å; A198-L304 PolarHBondContact N-O 2.63Å; A198-L304 PolarHBondContact O-N 3.18Å |
| 199 | T | 95.1 | Very high | 94.3 | Very high | 67 Ų | 67 | 61.5 Ų | 61.5 | 41% | 0.411 | 35% | 0.353 | S | S | . | . | trans | -85.7 | 144.5 | -178.1 | 56.3 | 0 | 0 | 0 | 0 | 112.1 | L197 I201 W209 N303 | L197-T199 HydrophobicContact CD2-CG2 4.37Å; L197-T199 HydrophobicContact CG-CG2 4.39Å; T199-I201 PolarHBondContact O-N 2.99Å; T199-W209 WeakPolarHBondContact O-CZ2 3.47Å; T199-W209 PolarHBondContact O-NE1 3.33Å; T199-N303 VanDerWaalsContact CA-OD1 3.25Å; T199-N303 WeakPolarHBondContact CA-OD1 3.01Å | ||
| 200 | D | 94.1 | Very high | 94.3 | Very high | 94 Ų | 94 | 60.1 Ų | 60.1 | 50% | 0.503 | 35% | 0.348 | S | S | . | . | trans | 55.1 | 49.5 | 174.9 | -59.3 | -55.9 | 0 | 0 | 0 | 114.3 | N202 L203 G302 N303 | D200-N202 PolarHBondContact O-N 3.14Å; D200-L203 HydrophobicContact CB-CD1 3.89Å; D200-L203 HydrophobicContact CB-CG 3.91Å; D200-L203 VanDerWaalsContact O-CG 3.31Å; D200-L203 WeakPolarHBondContact O-CG 3.42Å; D200-L203 PolarHBondContact O-N 3.32Å; D200-G302 WeakPolarHBondContact CA-O 3.38Å; D200-G302 PolarHBondContact N-O 3.17Å; D200-N303 PolarHBondContact N-OD1 3.18Å | ||
| 201 | I | 94.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -16.3 | -177.5 | 70.9 | -175.1 | 0 | 0 | 0 | 114.1 | A198 T199 L203 W209 K226 F236 A295 A299 G302 L304 | A198-I201 HydrophobicContact CB-CG2 4.03Å; A198-I201 WeakPolarHBondContact O-CG2 3.43Å; T199-I201 PolarHBondContact O-N 2.99Å; I201-L203 VanDerWaalsContact C-N 3.32Å; I201-W209 HydrophobicContact CG2-CZ2 4.48Å; I201-K226 PolarHBondContact O-NZ 2.99Å; I201-F236 HydrophobicContact CB-CE1 4.23Å; I201-F236 HydrophobicContact CB-CZ 4.28Å; I201-A295 HydrophobicContact CD1-CB 4.12Å; I201-A299 HydrophobicContact CD1-CB 3.5Å; I201-G302 PolarHBondContact N-O 2.71Å; I201-L304 HydrophobicContact CD1-CB 4.03Å; I201-L304 HydrophobicContact CG2-CB 3.73Å |
| 202 | N | 92.2 | Very high | 94.2 | Very high | 74 Ų | 74 | 53.3 Ų | 53.3 | 40% | 0.396 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 0.6 | -179.4 | -62.6 | -42.2 | 0 | 0 | 0 | 113.5 | D200 Q296 | D200-N202 PolarHBondContact O-N 3.14Å; N202-Q296 PolarHBondContact ND2-NE2 2.85Å; N202-Q296 PolarHBondContact OD1-NE2 3.33Å |
| 203 | L | 91.1 | Very high | 94.3 | Very high | 83 Ų | 83 | 48.1 Ų | 48.1 | 44% | 0.435 | 28% | 0.283 | S | S | . | . | trans | -53.8 | 136.3 | 174.6 | -77 | 170.5 | 0 | 0 | 0 | 110.9 | D200 I201 V207 K226 | D200-L203 HydrophobicContact CB-CD1 3.89Å; D200-L203 HydrophobicContact CB-CG 3.91Å; D200-L203 VanDerWaalsContact O-CG 3.31Å; D200-L203 WeakPolarHBondContact O-CG 3.42Å; D200-L203 PolarHBondContact O-N 3.32Å; I201-L203 VanDerWaalsContact C-N 3.32Å; L203-V207 HydrophobicContact CB-CG2 4.17Å; L203-K226 PolarHBondContact O-NZ 2.85Å | ||
| 204 | P | 88.7 | Confident | 94.3 | Very high | 114 Ų | 114 | 43.5 Ų | 43.5 | 74% | 0.74 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -70 | 147.2 | -179.4 | 29 | -34.3 | 0 | 0 | 0 | 111.3 | ||
| 205 | G | 87.3 | Confident | 94.3 | Very high | 22 Ų | 22 | 43.3 Ų | 43.3 | 23% | 0.227 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 84.4 | -169.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 206 | A | 88.5 | Confident | 94.3 | Very high | 79 Ų | 79 | 42.9 Ų | 42.9 | 65% | 0.653 | 25% | 0.251 | S | S | * | . | trans | -79.6 | 129.9 | 177 | 0 | 0 | 0 | 0 | 0 | 110.8 | K226 | A206-K226 VanDerWaalsContact CA-O 3.24Å; A206-K226 WeakPolarHBondContact CA-O 3.47Å; A206-K226 WeakPolarHBondContact CB-O 3.29Å | ||
| 207 | V | 91.3 | Very high | 94.2 | Very high | 33 Ų | 33 | 46.1 Ų | 46.1 | 20% | 0.2 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 138.5 | -176.1 | -177 | 0 | 0 | 0 | 0 | 109.2 | L203 W209 K226 | L203-V207 HydrophobicContact CB-CG2 4.17Å; V207-W209 HydrophobicContact CB-CH2 3.64Å; V207-W209 HydrophobicContact CB-CZ2 4.28Å; V207-W209 HydrophobicContact CB-CZ3 3.78Å; V207-W209 HydrophobicContact CG1-CD2 4.25Å; V207-W209 HydrophobicContact CG1-CE3 4.12Å; V207-W209 HydrophobicContact CG1-CH2 3.52Å; V207-W209 HydrophobicContact CG1-CZ2 3.66Å; V207-W209 HydrophobicContact CG1-CZ3 3.77Å; V207-W209 WeakPolarHBondContact O-CZ3 3.42Å; V207-K226 PolarHBondContact N-O 3.29Å; V207-K226 WeakPolarHBondContact O-CB 3.46Å; V207-K226 PolarHBondContact O-N 3.48Å |
| 208 | D | 92.1 | Very high | 94.3 | Very high | 61 Ų | 61 | 44.6 Ų | 44.6 | 33% | 0.326 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 130.6 | 177.9 | -58.5 | -41.1 | 0 | 0 | 0 | 110.2 | P162 E225 | P162-D208 HydrophobicContact CG-CB 4.42Å; D208-E225 VanDerWaalsContact OD1-CG 3.3Å; D208-E225 WeakPolarHBondContact OD1-CG 3.39Å |
| 209 | W | 94.7 | Very high | 94.3 | Very high | 25 Ų | 25 | 47.3 Ų | 47.3 | 10% | 0.095 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 132.3 | 166.7 | -62.7 | -102 | 0 | 0 | 0 | 109.1 | F196 A198 T199 I201 V207 L224 K226 F236 | F196-W209 HydrophobicContact CE2-CB 4.15Å; F196-W209 HydrophobicContact CZ-CB 3.61Å; A198-W209 HydrophobicContact CB-CB 4.4Å; A198-W209 HydrophobicContact CB-CD2 4.13Å; A198-W209 HydrophobicContact CB-CG 3.91Å; T199-W209 WeakPolarHBondContact O-CZ2 3.47Å; T199-W209 PolarHBondContact O-NE1 3.33Å; I201-W209 HydrophobicContact CG2-CZ2 4.48Å; V207-W209 HydrophobicContact CB-CH2 3.64Å; V207-W209 HydrophobicContact CB-CZ2 4.28Å; V207-W209 HydrophobicContact CB-CZ3 3.78Å; V207-W209 HydrophobicContact CG1-CD2 4.25Å; V207-W209 HydrophobicContact CG1-CE3 4.12Å; V207-W209 HydrophobicContact CG1-CH2 3.52Å; V207-W209 HydrophobicContact CG1-CZ2 3.66Å; V207-W209 HydrophobicContact CG1-CZ3 3.77Å; V207-W209 WeakPolarHBondContact O-CZ3 3.42Å; W209-L224 HydrophobicContact CB-CB 4.27Å; W209-L224 HydrophobicContact CD2-CD2 4.33Å; W209-L224 HydrophobicContact CE3-CB 4.48Å; W209-L224 HydrophobicContact CE3-CD2 3.93Å; W209-L224 HydrophobicContact CE3-CG 4.12Å; W209-L224 HydrophobicContact CZ3-CD2 4.48Å; W209-L224 PolarHBondContact N-O 3.38Å; W209-L224 PolarHBondContact O-N 3.47Å; W209-K226 HydrophobicContact CH2-CD 4.42Å; W209-K226 HydrophobicContact CZ3-CB 3.89Å; W209-F236 HydrophobicContact CZ3-CE1 4.32Å |
| 210 | V | 95.3 | Very high | 94.5 | Very high | 33 Ų | 33 | 44.1 Ų | 44.1 | 20% | 0.2 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 134.3 | -176.2 | -172.6 | 0 | 0 | 0 | 0 | 110.1 | P162 I186 M221 L222 | P162-V210 HydrophobicContact CG-CG2 3.37Å; I186-V210 HydrophobicContact CD1-CG1 4.24Å; I186-V210 HydrophobicContact CG1-CG1 4.49Å; I186-V210 HydrophobicContact CG2-CG1 4.28Å; V210-M221 HydrophobicContact CG1-CE 4.42Å; V210-M221 HydrophobicContact CG1-CG 3.59Å; V210-M221 HydrophobicContact CG1-SD 3.6Å; V210-L222 WeakPolarHBondContact CA-O 3.41Å |
| 211 | M | 95.8 | Very high | 94.6 | Very high | 22 Ų | 22 | 39.7 Ų | 39.7 | 11% | 0.108 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 150.6 | 175 | -179.1 | 172.7 | -75.3 | 0 | 0 | 110.1 | L189 I194 F196 M221 L222 | L189-M211 HydrophobicContact CD1-CE 4.18Å; L189-M211 HydrophobicContact CD1-SD 3.56Å; L189-M211 VanDerWaalsContact CD1-SD 3.56Å; L189-M211 HydrophobicContact CG-SD 4.02Å; I194-M211 HydrophobicContact CD1-SD 4.41Å; F196-M211 HydrophobicContact CB-SD 4.41Å; F196-M211 HydrophobicContact CD2-CB 3.9Å; F196-M211 HydrophobicContact CD2-CE 3.94Å; F196-M211 HydrophobicContact CD2-SD 3.9Å; F196-M211 HydrophobicContact CE2-CB 3.88Å; F196-M211 HydrophobicContact CE2-CE 4.47Å; F196-M211 HydrophobicContact CG-SD 4.48Å; M211-M221 WeakPolarHBondContact O-CA 3.38Å; M211-L222 HydrophobicContact CB-CB 4.32Å; M211-L222 HydrophobicContact CB-CD1 4.42Å; M211-L222 HydrophobicContact CG-CD1 4.46Å; M211-L222 PolarHBondContact N-O 2.87Å; M211-L222 PolarHBondContact O-N 3.32Å |
| 212 | M | 97 | Very high | 94.8 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 134.8 | 169.4 | -66.2 | -56.7 | -58.8 | 0 | 0 | 110.3 | M176 L179 I186 T187 T188 L189 H219 F220 M221 I243 | M176-M212 HydrophobicContact CE-CE 4.34Å; M176-M212 HydrophobicContact SD-CE 3.92Å; L179-M212 HydrophobicContact CD1-SD 4.41Å; I186-M212 HydrophobicContact CG2-CB 4.41Å; I186-M212 HydrophobicContact CG2-CG 3.59Å; T187-M212 PolarHBondContact O-N 3.38Å; T188-M212 CarbonylContact C-O 3.57Å; T188-M212 VanDerWaalsContact CA-O 3.3Å; T188-M212 WeakPolarHBondContact CA-O 3.42Å; T188-M212 HydrophobicContact CG2-CB 4.01Å; L189-M212 PolarHBondContact N-O 3.3Å; M212-H219 HydrophobicContact CE-CB 3.66Å; M212-F220 CarbonylContact C-O 3.59Å; M212-F220 WeakPolarHBondContact CA-O 3.36Å; M212-M221 HydrophobicContact CE-CB 4.15Å; M212-M221 HydrophobicContact SD-CB 3.49Å; M212-M221 WeakPolarHBondContact SD-CB 3.48Å; M212-M221 HydrophobicContact SD-CE 3.52Å; M212-M221 VanDerWaalsContact SD-CE 3.52Å; M212-M221 HydrophobicContact SD-CG 3.73Å; M212-M221 HydrophobicContact SD-SD 4.49Å; M212-I243 HydrophobicContact CE-CD1 4.32Å; M212-I243 HydrophobicContact CE-CG1 3.77Å |
| 213 | Q | 98 | Very high | 95 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 136 | 167.9 | -178.2 | 175.2 | 4 | 0 | 0 | 109.2 | L189 G191 E192 I194 H219 F220 L222 I310 | L189-Q213 CarbonylContact O-C 3.41Å; L189-Q213 WeakPolarHBondContact O-CA 3.41Å; G191-Q213 WeakPolarHBondContact O-CG 3.4Å; G191-Q213 PolarHBondContact O-NE2 3.27Å; E192-Q213 PolarHBondContact O-NE2 3.48Å; E192-Q213 VanDerWaalsContact O-NE2 3.11Å; I194-Q213 HydrophobicContact CD1-CB 3.78Å; I194-Q213 HydrophobicContact CD1-CG 3.69Å; I194-Q213 HydrophobicContact CG1-CG 4.23Å; Q213-H219 CarbonylContact O-C 3.5Å; Q213-H219 WeakPolarHBondContact O-CA 3.32Å; Q213-F220 PolarHBondContact N-O 3.5Å; Q213-F220 PolarHBondContact O-N 3.08Å; Q213-L222 HydrophobicContact CB-CD1 3.93Å; Q213-I310 HydrophobicContact CG-CD1 4.21Å |
| 214 | S | 98.2 | Very high | 95.3 | Very high | 10 Ų | 10 | 32.3 Ų | 32.3 | 7% | 0.07 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 117.2 | -178 | 177.3 | 0 | 0 | 0 | 0 | 109.8 | L189 Q190 G191 F218 H219 | L189-S214 PolarHBondContact O-N 3.06Å; Q190-S214 VanDerWaalsContact NE2-CB 3.3Å; Q190-S214 PolarHBondContact NE2-OG 2.85Å; Q190-S214 VanDerWaalsContact OE1-CB 3.29Å; Q190-S214 PolarHBondContact OE1-O 3.08Å; Q190-S214 PolarHBondContact OE1-OG 3.35Å; G191-S214 PolarHBondContact N-O 2.79Å; S214-F218 WeakPolarHBondContact CA-O 3.42Å; S214-H219 PolarHBondContact OG-CE1 3.06Å; S214-H219 PolarHBondContact OG-ND1 3Å |
| 215 | C | 98.1 | Very high | 95.6 | Very high | 12 Ų | 12 | 28.9 Ų | 28.9 | 8% | 0.081 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 159.4 | 179 | 57.4 | 0 | 0 | 0 | 0 | 110.4 | E192 G217 F218 | E192-C215 HydrophobicContact CB-CB 4.2Å; C215-G217 PolarHBondContact O-N 3.09Å; C215-F218 PolarHBondContact N-O 3.35Å; C215-F218 VanDerWaalsContact N-O 3.12Å; C215-F218 PolarHBondContact O-N 3.21Å; C215-F218 VanDerWaalsContact O-O 3.05Å |
| 216 | F | 97.6 | Very high | 95.9 | Very high | 70 Ų | 70 | 27.9 Ų | 27.9 | 31% | 0.307 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 22.6 | -178.5 | -50.7 | -68.8 | 0 | 0 | 0 | 115.5 | E192 F218 F252 I310 M312 | E192-F216 HydrophobicContact CB-CE2 3.95Å; E192-F216 HydrophobicContact CB-CZ 3.92Å; E192-F216 VanDerWaalsContact OE2-CZ 3.28Å; E192-F216 WeakPolarHBondContact OE2-CZ 3.48Å; F216-F218 HydrophobicContact CB-CD2 4.47Å; F216-F218 VanDerWaalsContact O-CD2 3.23Å; F216-F218 WeakPolarHBondContact O-CD2 3.24Å; F216-F218 PolarHBondContact O-N 3.46Å; F216-F252 HydrophobicContact CB-CE1 3.8Å; F216-F252 HydrophobicContact CB-CZ 4.16Å; F216-F252 HydrophobicContact CD2-CD1 4.23Å; F216-F252 AromaticContact CD2-CE1 3.76Å; F216-F252 HydrophobicContact CD2-CE1 3.76Å; F216-F252 AromaticContact CG-CE1 3.91Å; F216-F252 HydrophobicContact CG-CE1 3.91Å; F216-I310 HydrophobicContact CD2-CG2 4.25Å; F216-I310 HydrophobicContact CE2-CB 4.5Å; F216-I310 HydrophobicContact CE2-CG2 4.08Å; F216-I310 WeakPolarHBondContact CE2-O 3.47Å; F216-M312 HydrophobicContact CD1-CE 3.93Å; F216-M312 HydrophobicContact CD1-CG 4.07Å; F216-M312 HydrophobicContact CD1-SD 3.89Å; F216-M312 HydrophobicContact CE1-CE 3.85Å; F216-M312 HydrophobicContact CE1-CG 4.22Å; F216-M312 HydrophobicContact CE1-SD 4.31Å; F216-M312 HydrophobicContact CG-CG 4.24Å; F216-M312 HydrophobicContact CG-SD 4.4Å |
| 217 | G | 96.3 | Very high | 96.1 | Very high | 76 Ų | 76 | 27 Ų | 27 | 78% | 0.784 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 8.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | C215 | C215-G217 PolarHBondContact O-N 3.09Š|
| 218 | F | 97.6 | Very high | 95.9 | Very high | 59 Ų | 59 | 30.7 Ų | 30.7 | 26% | 0.259 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 164.5 | 177.8 | -69.5 | -83.4 | 0 | 0 | 0 | 111.8 | S214 C215 F216 F220 L242 Q248 F252 | S214-F218 WeakPolarHBondContact CA-O 3.42Å; C215-F218 PolarHBondContact N-O 3.35Å; C215-F218 VanDerWaalsContact N-O 3.12Å; C215-F218 PolarHBondContact O-N 3.21Å; C215-F218 VanDerWaalsContact O-O 3.05Å; F216-F218 HydrophobicContact CB-CD2 4.47Å; F216-F218 VanDerWaalsContact O-CD2 3.23Å; F216-F218 WeakPolarHBondContact O-CD2 3.24Å; F216-F218 PolarHBondContact O-N 3.46Å; F218-F220 HydrophobicContact CB-CD2 4.49Å; F218-F220 HydrophobicContact CB-CE2 3.74Å; F218-F220 HydrophobicContact CB-CZ 4.06Å; F218-L242 HydrophobicContact CB-CD1 3.76Å; F218-L242 HydrophobicContact CD1-CD1 3.93Å; F218-L242 HydrophobicContact CG-CD1 4.09Å; F218-Q248 HydrophobicContact CE1-CB 4.46Å; F218-Q248 HydrophobicContact CE1-CG 4.31Å; F218-Q248 HydrophobicContact CZ-CG 4.48Å; F218-F252 AromaticContact CD2-CE2 3.87Å; F218-F252 HydrophobicContact CD2-CE2 3.87Å; F218-F252 AromaticContact CD2-CZ 3.51Å; F218-F252 HydrophobicContact CD2-CZ 3.51Å; F218-F252 HydrophobicContact CE2-CE2 4.02Å; F218-F252 AromaticContact CE2-CZ 3.77Å; F218-F252 HydrophobicContact CE2-CZ 3.77Å; F218-F252 HydrophobicContact CG-CE2 4.35Å; F218-F252 HydrophobicContact CG-CZ 4.32Å |
| 219 | H | 97.9 | Very high | 95.3 | Very high | 57 Ų | 57 | 32.6 Ų | 32.6 | 26% | 0.264 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 130.4 | 176.4 | -58.4 | -67.7 | 0 | 0 | 0 | 110 | M176 M212 Q213 S214 I243 | M176-H219 HydrophobicContact CE-CB 3.97Å; M176-H219 HydrophobicContact CG-CB 4.39Å; M176-H219 HydrophobicContact SD-CB 3.62Å; M212-H219 HydrophobicContact CE-CB 3.66Å; Q213-H219 CarbonylContact O-C 3.5Å; Q213-H219 WeakPolarHBondContact O-CA 3.32Å; S214-H219 PolarHBondContact OG-CE1 3.06Å; S214-H219 PolarHBondContact OG-ND1 3Å; H219-I243 HydrophobicContact CB-CB 4.27Å; H219-I243 HydrophobicContact CB-CG1 4.05Å; H219-I243 WeakPolarHBondContact O-CB 3.27Å; H219-I243 WeakPolarHBondContact O-CG1 3.33Å; H219-I243 PolarHBondContact O-N 3.42Å |
| 220 | F | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 126 | -179.7 | -58.6 | -97.3 | 0 | 0 | 0 | 108.4 | M212 Q213 F218 V240 Q241 L242 F252 P271 I310 | M212-F220 CarbonylContact C-O 3.59Å; M212-F220 WeakPolarHBondContact CA-O 3.36Å; Q213-F220 PolarHBondContact N-O 3.5Å; Q213-F220 PolarHBondContact O-N 3.08Å; F218-F220 HydrophobicContact CB-CD2 4.49Å; F218-F220 HydrophobicContact CB-CE2 3.74Å; F218-F220 HydrophobicContact CB-CZ 4.06Å; F220-V240 HydrophobicContact CB-CG1 3.95Å; F220-V240 HydrophobicContact CD1-CG1 4.2Å; F220-Q241 CarbonylContact C-O 3.6Å; F220-Q241 VanDerWaalsContact CA-O 3.26Å; F220-Q241 WeakPolarHBondContact CA-O 3.47Å; F220-L242 HydrophobicContact CD1-CB 4.03Å; F220-L242 HydrophobicContact CD1-CD1 3.91Å; F220-L242 HydrophobicContact CE1-CB 4.06Å; F220-L242 HydrophobicContact CE1-CD1 3.58Å; F220-L242 HydrophobicContact CE1-CG 4.29Å; F220-L242 HydrophobicContact CE2-CD1 4.33Å; F220-L242 HydrophobicContact CG-CD1 4.43Å; F220-L242 HydrophobicContact CZ-CD1 3.81Å; F220-F252 HydrophobicContact CE1-CB 4.32Å; F220-F252 HydrophobicContact CE1-CD2 4.27Å; F220-F252 HydrophobicContact CE1-CG 4.18Å; F220-F252 HydrophobicContact CZ-CB 4.48Å; F220-F252 HydrophobicContact CZ-CD1 4.03Å; F220-F252 HydrophobicContact CZ-CD2 4.03Å; F220-F252 HydrophobicContact CZ-CE1 4.25Å; F220-F252 HydrophobicContact CZ-CE2 4.26Å; F220-F252 AromaticContact CZ-CG 3.92Å; F220-F252 HydrophobicContact CZ-CG 3.92Å; F220-F252 HydrophobicContact CZ-CZ 4.37Å; F220-P271 HydrophobicContact CD1-CB 4.28Å; F220-P271 HydrophobicContact CD1-CG 4.2Å; F220-P271 HydrophobicContact CE1-CB 4.34Å; F220-P271 HydrophobicContact CE1-CG 3.97Å; F220-I310 HydrophobicContact CB-CD1 3.6Å; F220-I310 HydrophobicContact CD1-CD1 3.76Å; F220-I310 HydrophobicContact CD2-CD1 3.41Å; F220-I310 VanDerWaalsContact CD2-CD1 3.41Å; F220-I310 HydrophobicContact CE1-CD1 4.23Å; F220-I310 HydrophobicContact CE1-CG2 4.14Å; F220-I310 HydrophobicContact CE2-CD1 3.94Å; F220-I310 HydrophobicContact CE2-CG2 4.03Å; F220-I310 HydrophobicContact CG-CD1 3.3Å; F220-I310 HydrophobicContact CZ-CD1 4.32Å; F220-I310 HydrophobicContact CZ-CG2 3.8Å |
| 221 | M | 97.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 124.1 | 173.7 | -173.6 | 178 | -66.1 | 0 | 0 | 109.2 | P160 L179 I186 V210 M211 M212 V223 Q241 I243 | P160-M221 HydrophobicContact CB-CE 4.35Å; P160-M221 HydrophobicContact CG-CE 3.87Å; L179-M221 HydrophobicContact CD1-CE 3.6Å; L179-M221 HydrophobicContact CD2-CE 3.97Å; L179-M221 HydrophobicContact CG-CE 4.45Å; I186-M221 HydrophobicContact CD1-CE 4.45Å; V210-M221 HydrophobicContact CG1-CE 4.42Å; V210-M221 HydrophobicContact CG1-CG 3.59Å; V210-M221 HydrophobicContact CG1-SD 3.6Å; M211-M221 WeakPolarHBondContact O-CA 3.38Å; M212-M221 HydrophobicContact CE-CB 4.15Å; M212-M221 HydrophobicContact SD-CB 3.49Å; M212-M221 WeakPolarHBondContact SD-CB 3.48Å; M212-M221 HydrophobicContact SD-CE 3.52Å; M212-M221 VanDerWaalsContact SD-CE 3.52Å; M212-M221 HydrophobicContact SD-CG 3.73Å; M212-M221 HydrophobicContact SD-SD 4.49Å; M221-V223 HydrophobicContact CG-CG2 4.15Å; M221-V223 HydrophobicContact SD-CG2 4.41Å; M221-Q241 HydrophobicContact CB-CG 3.61Å; M221-Q241 HydrophobicContact CG-CG 4.39Å; M221-Q241 PolarHBondContact N-O 2.99Å; M221-Q241 WeakPolarHBondContact O-CG 3.24Å; M221-Q241 PolarHBondContact O-N 2.98Å; M221-Q241 PolarHBondContact SD-NE2 3.48Å; M221-I243 HydrophobicContact CB-CD1 4.47Å |
| 222 | L | 97.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 126.7 | 175 | -68.8 | 155.3 | 0 | 0 | 0 | 108 | I194 F196 V210 M211 Q213 V240 L256 V308 | I194-L222 HydrophobicContact CD1-CD1 3.86Å; F196-L222 HydrophobicContact CB-CD1 4.46Å; F196-L222 HydrophobicContact CD1-CB 4.14Å; F196-L222 HydrophobicContact CE1-CB 4.25Å; V210-L222 WeakPolarHBondContact CA-O 3.41Å; M211-L222 HydrophobicContact CB-CB 4.32Å; M211-L222 HydrophobicContact CB-CD1 4.42Å; M211-L222 HydrophobicContact CG-CD1 4.46Å; M211-L222 PolarHBondContact N-O 2.87Å; M211-L222 PolarHBondContact O-N 3.32Å; Q213-L222 HydrophobicContact CB-CD1 3.93Å; L222-V240 HydrophobicContact CD2-CG1 4.48Å; L222-V240 HydrophobicContact CD2-CG2 3.58Å; L222-L256 HydrophobicContact CD2-CD2 4.27Å; L222-V308 HydrophobicContact CD1-CG1 4.25Å; L222-V308 HydrophobicContact CD1-CG2 4.22Å; L222-V308 HydrophobicContact CD2-CB 4.22Å; L222-V308 HydrophobicContact CD2-CG1 3.44Å; L222-V308 VanDerWaalsContact CD2-CG1 3.44Å; L222-V308 HydrophobicContact CD2-CG2 3.8Å; L222-V308 HydrophobicContact CG-CG1 4.41Å |
| 223 | V | 96.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 126.5 | 178.3 | 179.4 | 0 | 0 | 0 | 0 | 108.7 | P162 M221 E225 A238 I239 I278 | P162-V223 HydrophobicContact CB-CG1 4.38Å; P162-V223 HydrophobicContact CG-CG1 3.85Å; P162-V223 HydrophobicContact CG-CG2 4.06Å; M221-V223 HydrophobicContact CG-CG2 4.15Å; M221-V223 HydrophobicContact SD-CG2 4.41Å; V223-E225 HydrophobicContact CG1-CB 4.41Å; V223-A238 VanDerWaalsContact O-CA 3.31Å; V223-A238 WeakPolarHBondContact O-CA 3.05Å; V223-I239 HydrophobicContact CB-CG2 4.12Å; V223-I239 PolarHBondContact N-O 3.1Å; V223-I239 PolarHBondContact O-N 2.98Å; V223-I278 HydrophobicContact CB-CD1 4.04Å; V223-I278 HydrophobicContact CG1-CD1 3.84Å; V223-I278 HydrophobicContact CG2-CD1 3.95Å |
| 224 | L | 96.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 112.8 | 162.7 | 176.2 | 72.9 | 0 | 0 | 0 | 107.2 | F196 A198 W209 F236 F237 A238 F290 I306 | F196-L224 HydrophobicContact CE1-CB 3.84Å; F196-L224 HydrophobicContact CZ-CB 4.21Å; A198-L224 HydrophobicContact CB-CD2 3.44Å; A198-L224 VanDerWaalsContact CB-CD2 3.44Å; W209-L224 HydrophobicContact CB-CB 4.27Å; W209-L224 HydrophobicContact CD2-CD2 4.33Å; W209-L224 HydrophobicContact CE3-CB 4.48Å; W209-L224 HydrophobicContact CE3-CD2 3.93Å; W209-L224 HydrophobicContact CE3-CG 4.12Å; W209-L224 HydrophobicContact CZ3-CD2 4.48Å; W209-L224 PolarHBondContact N-O 3.38Å; W209-L224 PolarHBondContact O-N 3.47Å; L224-F236 HydrophobicContact CD1-CB 4.06Å; L224-F236 HydrophobicContact CD1-CD1 4.14Å; L224-F236 HydrophobicContact CD2-CD1 4.36Å; L224-F236 HydrophobicContact CG-CD1 4.31Å; L224-F237 CarbonylContact C-O 3.58Å; L224-F237 WeakPolarHBondContact CA-O 3.35Å; L224-A238 HydrophobicContact CD1-CB 3.84Å; L224-F290 HydrophobicContact CD1-CE1 4.36Å; L224-F290 HydrophobicContact CD1-CZ 3.96Å; L224-I306 HydrophobicContact CD1-CD1 4.29Å; L224-I306 HydrophobicContact CD2-CD1 4.35Å |
| 225 | E | 95 | Very high | 91 | Very high | 42 Ų | 42 | 59.1 Ų | 59.1 | 20% | 0.196 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 127.8 | 179.2 | 175 | 169.9 | 163.3 | 0 | 0 | 109.4 | D208 V223 Q227 F236 F237 I282 | D208-E225 VanDerWaalsContact OD1-CG 3.3Å; D208-E225 WeakPolarHBondContact OD1-CG 3.39Å; V223-E225 HydrophobicContact CG1-CB 4.41Å; E225-Q227 HydrophobicContact CG-CG 3.91Å; E225-Q227 WeakPolarHBondContact OE1-CG 3.43Å; E225-Q227 PolarHBondContact OE1-NE2 3.22Å; E225-F236 CarbonylContact O-C 3.6Å; E225-F236 WeakPolarHBondContact O-CA 3.49Å; E225-F237 PolarHBondContact N-O 3.39Å; E225-F237 PolarHBondContact O-N 3.09Å; E225-I282 VanDerWaalsContact OE2-CD1 3.28Å; E225-I282 WeakPolarHBondContact OE2-CD1 3.27Å |
| 226 | K | 94.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 116 | 171.9 | 178.6 | -178.1 | -179.1 | 173.3 | 0 | 109.1 | I201 L203 A206 V207 W209 Q235 F236 | I201-K226 PolarHBondContact O-NZ 2.99Å; L203-K226 PolarHBondContact O-NZ 2.85Å; A206-K226 VanDerWaalsContact CA-O 3.24Å; A206-K226 WeakPolarHBondContact CA-O 3.47Å; A206-K226 WeakPolarHBondContact CB-O 3.29Å; V207-K226 PolarHBondContact N-O 3.29Å; V207-K226 WeakPolarHBondContact O-CB 3.46Å; V207-K226 PolarHBondContact O-N 3.48Å; W209-K226 HydrophobicContact CH2-CD 4.42Å; W209-K226 HydrophobicContact CZ3-CB 3.89Å; K226-Q235 WeakPolarHBondContact CA-O 3.22Å; K226-F236 HydrophobicContact CB-CD1 4.03Å; K226-F236 HydrophobicContact CB-CE1 3.9Å; K226-F236 HydrophobicContact CD-CE1 3.85Å; K226-F236 HydrophobicContact CD-CZ 3.85Å; K226-F236 HydrophobicContact CG-CD1 4.34Å; K226-F236 HydrophobicContact CG-CE1 3.93Å; K226-F236 HydrophobicContact CG-CZ 4.12Å |
| 227 | Q | 91.6 | Very high | 90.9 | Very high | 61 Ų | 61 | 55.5 Ų | 55.5 | 29% | 0.285 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 143.9 | 175.5 | -59.8 | -172.2 | -2.2 | 0 | 0 | 111.4 | E225 Q234 Q235 F237 | E225-Q227 HydrophobicContact CG-CG 3.91Å; E225-Q227 WeakPolarHBondContact OE1-CG 3.43Å; E225-Q227 PolarHBondContact OE1-NE2 3.22Å; Q227-Q234 WeakPolarHBondContact O-CA 3.36Å; Q227-Q235 PolarHBondContact N-O 2.91Å; Q227-Q235 PolarHBondContact O-N 3.2Å; Q227-F237 HydrophobicContact CB-CE2 4.07Å; Q227-F237 HydrophobicContact CG-CD2 4.11Å; Q227-F237 HydrophobicContact CG-CE2 4.01Å |
| 228 | E | 88 | Confident | 91 | Very high | 110 Ų | 110 | 52 Ų | 52 | 51% | 0.514 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 117.2 | 172.5 | -173 | 165.9 | -150.9 | 0 | 0 | 109.5 | Q234 | E228-Q234 HydrophobicContact CG-CG 4.44Å |
| 229 | K | 80.1 | Confident | 91 | Very high | 102 Ų | 102 | 49.3 Ų | 49.3 | 44% | 0.443 | 24% | 0.237 | S | C | . | . | trans | -82.7 | 161.7 | 174.5 | -70.2 | -173.3 | 163.5 | 175.6 | 0 | 110.9 | D231 G232 H233 | K229-D231 PolarHBondContact O-N 2.88Å; K229-G232 PolarHBondContact O-N 2.75Å; K229-H233 WeakPolarHBondContact CB-O 3.26Å; K229-H233 PolarHBondContact N-O 3.3Å | ||
| 230 | Y | 68.8 | Low | 91 | Very high | 242 Ų | 242 | 46.6 Ų | 46.6 | 95% | 0.949 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -22.3 | -174.4 | -64.5 | -79.5 | 0 | 0 | 0 | 115.4 | ||
| 231 | D | 73.9 | Confident | 90.9 | Very high | 142 Ų | 142 | 46.8 Ų | 46.8 | 76% | 0.759 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | 12.5 | 180 | -64.7 | -27.3 | 0 | 0 | 0 | 113.6 | K229 H233 | K229-D231 PolarHBondContact O-N 2.88Å; D231-H233 PolarHBondContact O-N 3.18Å |
| 232 | G | 75.4 | Confident | 91 | Very high | 45 Ų | 45 | 46.8 Ų | 46.8 | 46% | 0.464 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 76.7 | 1.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | K229 Q234 | K229-G232 PolarHBondContact O-N 2.75Å; G232-Q234 PolarHBondContact O-N 3.23Å |
| 233 | H | 83.9 | Confident | 90.9 | Very high | 131 Ų | 131 | 47.4 Ų | 47.4 | 61% | 0.606 | 23% | 0.228 | S | C | * | . | trans | -71.7 | 117.9 | 171.2 | -70.5 | -63.9 | 0 | 0 | 0 | 110.2 | K229 D231 | K229-H233 WeakPolarHBondContact CB-O 3.26Å; K229-H233 PolarHBondContact N-O 3.3Å; D231-H233 PolarHBondContact O-N 3.18Å | ||
| 234 | Q | 91.1 | Very high | 90.8 | Very high | 43 Ų | 43 | 47.3 Ų | 47.3 | 20% | 0.201 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 136.7 | 175.4 | -67.5 | 172.2 | -0.8 | 0 | 0 | 110 | Q227 E228 G232 T292 | Q227-Q234 WeakPolarHBondContact O-CA 3.36Å; E228-Q234 HydrophobicContact CG-CG 4.44Å; G232-Q234 PolarHBondContact O-N 3.23Å; Q234-T292 WeakPolarHBondContact CB-OG1 3.43Å |
| 235 | Q | 94.4 | Very high | 90.5 | Very high | 47 Ų | 47 | 49.8 Ų | 49.8 | 22% | 0.22 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 144.2 | 175.6 | -69.6 | -170.4 | -55.1 | 0 | 0 | 110.4 | K226 Q227 F237 | K226-Q235 WeakPolarHBondContact CA-O 3.22Å; Q227-Q235 PolarHBondContact N-O 2.91Å; Q227-Q235 PolarHBondContact O-N 3.2Å; Q235-F237 HydrophobicContact CB-CE2 3.68Å; Q235-F237 HydrophobicContact CB-CZ 4.02Å |
| 236 | F | 96.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 136.6 | 175.4 | -67 | -91.7 | 0 | 0 | 0 | 109.3 | I201 W209 L224 E225 K226 V289 F290 A295 | I201-F236 HydrophobicContact CB-CE1 4.23Å; I201-F236 HydrophobicContact CB-CZ 4.28Å; W209-F236 HydrophobicContact CZ3-CE1 4.32Å; L224-F236 HydrophobicContact CD1-CB 4.06Å; L224-F236 HydrophobicContact CD1-CD1 4.14Å; L224-F236 HydrophobicContact CD2-CD1 4.36Å; L224-F236 HydrophobicContact CG-CD1 4.31Å; E225-F236 CarbonylContact O-C 3.6Å; E225-F236 WeakPolarHBondContact O-CA 3.49Å; K226-F236 HydrophobicContact CB-CD1 4.03Å; K226-F236 HydrophobicContact CB-CE1 3.9Å; K226-F236 HydrophobicContact CD-CE1 3.85Å; K226-F236 HydrophobicContact CD-CZ 3.85Å; K226-F236 HydrophobicContact CG-CD1 4.34Å; K226-F236 HydrophobicContact CG-CE1 3.93Å; K226-F236 HydrophobicContact CG-CZ 4.12Å; F236-V289 WeakPolarHBondContact O-CA 3.43Å; F236-F290 HydrophobicContact CB-CD1 4.27Å; F236-F290 HydrophobicContact CB-CD2 3.78Å; F236-F290 HydrophobicContact CB-CE1 3.93Å; F236-F290 HydrophobicContact CB-CE2 3.4Å; F236-F290 VanDerWaalsContact CB-CE2 3.4Å; F236-F290 HydrophobicContact CB-CG 4.2Å; F236-F290 HydrophobicContact CB-CZ 3.48Å; F236-F290 VanDerWaalsContact CB-CZ 3.48Å; F236-F290 HydrophobicContact CD1-CE2 4.31Å; F236-F290 AromaticContact CD2-CD2 4Å; F236-F290 HydrophobicContact CD2-CD2 4Å; F236-F290 AromaticContact CD2-CE2 3.79Å; F236-F290 HydrophobicContact CD2-CE2 3.79Å; F236-F290 HydrophobicContact CG-CD2 4.12Å; F236-F290 AromaticContact CG-CE2 3.58Å; F236-F290 HydrophobicContact CG-CE2 3.58Å; F236-F290 HydrophobicContact CG-CZ 4.02Å; F236-F290 PolarHBondContact N-O 3.43Å; F236-F290 PolarHBondContact O-N 3.25Å; F236-F290 VanDerWaalsContact O-N 3.11Å; F236-A295 HydrophobicContact CD2-CB 4.17Å; F236-A295 HydrophobicContact CE2-CB 3.9Å; F236-A295 HydrophobicContact CZ-CB 4.45Å |
| 237 | F | 97.3 | Very high | 90.3 | Very high | 5 Ų | 5 | 62.6 Ų | 62.6 | 2% | 0.022 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 114.6 | 178 | -61.4 | -94.2 | 0 | 0 | 0 | 108.2 | L224 E225 Q227 Q235 I282 V289 | L224-F237 CarbonylContact C-O 3.58Å; L224-F237 WeakPolarHBondContact CA-O 3.35Å; E225-F237 PolarHBondContact N-O 3.39Å; E225-F237 PolarHBondContact O-N 3.09Å; Q227-F237 HydrophobicContact CB-CE2 4.07Å; Q227-F237 HydrophobicContact CG-CD2 4.11Å; Q227-F237 HydrophobicContact CG-CE2 4.01Å; Q235-F237 HydrophobicContact CB-CE2 3.68Å; Q235-F237 HydrophobicContact CB-CZ 4.02Å; F237-I282 HydrophobicContact CB-CD1 4.49Å; F237-I282 HydrophobicContact CB-CG1 4.22Å; F237-I282 HydrophobicContact CB-CG2 4.27Å; F237-I282 HydrophobicContact CD1-CG2 3.78Å; F237-I282 HydrophobicContact CD2-CG2 4.24Å; F237-I282 HydrophobicContact CE1-CG2 4.15Å; F237-I282 HydrophobicContact CG-CG2 3.84Å; F237-V289 HydrophobicContact CD1-CB 4.44Å; F237-V289 HydrophobicContact CD1-CG1 4.15Å; F237-V289 HydrophobicContact CD1-CG2 3.57Å; F237-V289 HydrophobicContact CE1-CB 4.47Å; F237-V289 HydrophobicContact CE1-CG1 3.83Å; F237-V289 HydrophobicContact CE1-CG2 3.76Å; F237-V289 HydrophobicContact CZ-CG1 4.26Å |
| 238 | A | 98.1 | Very high | 90.4 | Very high | 3 Ų | 3 | 62.7 Ų | 62.7 | 3% | 0.025 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 123.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | V223 L224 L256 C287 L288 I306 | V223-A238 VanDerWaalsContact O-CA 3.31Å; V223-A238 WeakPolarHBondContact O-CA 3.05Å; L224-A238 HydrophobicContact CD1-CB 3.84Å; A238-L256 HydrophobicContact CB-CD1 3.75Å; A238-L256 WeakPolarHBondContact O-CD1 3.38Å; A238-C287 WeakPolarHBondContact O-CB 3.44Å; A238-L288 HydrophobicContact CB-CB 4.15Å; A238-L288 HydrophobicContact CB-CD2 4.29Å; A238-L288 HydrophobicContact CB-CG 4.43Å; A238-L288 PolarHBondContact N-O 2.96Å; A238-L288 PolarHBondContact O-N 3.16Å; A238-I306 HydrophobicContact CB-CD1 4.43Å |
| 239 | I | 97.9 | Very high | 90.8 | Very high | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 151.7 | -175.1 | -163.7 | 169.6 | 0 | 0 | 0 | 111.4 | V223 R272 I278 A281 C287 | V223-I239 HydrophobicContact CB-CG2 4.12Å; V223-I239 PolarHBondContact N-O 3.1Å; V223-I239 PolarHBondContact O-N 2.98Å; I239-R272 HydrophobicContact CD1-CG 3.88Å; I239-I278 HydrophobicContact CD1-CB 4.29Å; I239-I278 HydrophobicContact CD1-CG2 4.13Å; I239-I278 HydrophobicContact CG2-CB 4.07Å; I239-I278 HydrophobicContact CG2-CD1 4.09Å; I239-I278 HydrophobicContact CG2-CG2 3.89Å; I239-A281 HydrophobicContact CD1-CB 3.55Å; I239-C287 HydrophobicContact CB-CB 3.89Å; I239-C287 HydrophobicContact CD1-CB 4.01Å; I239-C287 HydrophobicContact CG1-CB 4.03Å |
| 240 | V | 98.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 130 | 175.5 | -173.7 | 0 | 0 | 0 | 0 | 109.3 | F220 L222 Y254 L256 P271 R272 | F220-V240 HydrophobicContact CB-CG1 3.95Å; F220-V240 HydrophobicContact CD1-CG1 4.2Å; L222-V240 HydrophobicContact CD2-CG1 4.48Å; L222-V240 HydrophobicContact CD2-CG2 3.58Å; V240-Y254 HydrophobicContact CB-CD1 3.71Å; V240-Y254 HydrophobicContact CB-CD2 3.94Å; V240-Y254 HydrophobicContact CB-CE1 3.97Å; V240-Y254 HydrophobicContact CB-CE2 4.19Å; V240-Y254 HydrophobicContact CB-CG 3.68Å; V240-Y254 HydrophobicContact CG1-CD1 4.48Å; V240-Y254 HydrophobicContact CG1-CG 4.38Å; V240-Y254 HydrophobicContact CG2-CD1 4.02Å; V240-Y254 HydrophobicContact CG2-CD2 3.28Å; V240-Y254 HydrophobicContact CG2-CE1 4.32Å; V240-Y254 HydrophobicContact CG2-CE2 3.65Å; V240-Y254 HydrophobicContact CG2-CG 3.47Å; V240-Y254 VanDerWaalsContact CG2-CG 3.47Å; V240-L256 HydrophobicContact CG2-CD2 3.97Å; V240-L256 HydrophobicContact CG2-CG 4.45Å; V240-P271 HydrophobicContact CG1-CB 4.41Å; V240-R272 PolarHBondContact O-N 3.43Å |
| 241 | Q | 96.8 | Very high | 93 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.019 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 135.7 | 171.8 | 65.6 | 179.3 | -18.2 | 0 | 0 | 111.5 | P160 F220 M221 R272 I274 I278 | P160-Q241 PolarHBondContact O-NE2 3.2Å; F220-Q241 CarbonylContact C-O 3.6Å; F220-Q241 VanDerWaalsContact CA-O 3.26Å; F220-Q241 WeakPolarHBondContact CA-O 3.47Å; M221-Q241 HydrophobicContact CB-CG 3.61Å; M221-Q241 HydrophobicContact CG-CG 4.39Å; M221-Q241 PolarHBondContact N-O 2.99Å; M221-Q241 WeakPolarHBondContact O-CG 3.24Å; M221-Q241 PolarHBondContact O-N 2.98Å; M221-Q241 PolarHBondContact SD-NE2 3.48Å; Q241-R272 CarbonylContact C-O 3.56Å; Q241-R272 WeakPolarHBondContact CA-O 3.38Å; Q241-R272 HydrophobicContact CB-CB 4.43Å; Q241-R272 WeakPolarHBondContact CB-O 3.33Å; Q241-I274 HydrophobicContact CG-CG2 4.25Å; Q241-I278 HydrophobicContact CB-CG2 4.03Å; Q241-I278 HydrophobicContact CG-CG2 4.49Å |
| 242 | L | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 129.9 | 172.9 | 171.9 | 65.7 | 0 | 0 | 0 | 110.3 | F218 F220 G244 Q248 A249 F252 P271 R272 I274 | F218-L242 HydrophobicContact CB-CD1 3.76Å; F218-L242 HydrophobicContact CD1-CD1 3.93Å; F218-L242 HydrophobicContact CG-CD1 4.09Å; F220-L242 HydrophobicContact CD1-CB 4.03Å; F220-L242 HydrophobicContact CD1-CD1 3.91Å; F220-L242 HydrophobicContact CE1-CB 4.06Å; F220-L242 HydrophobicContact CE1-CD1 3.58Å; F220-L242 HydrophobicContact CE1-CG 4.29Å; F220-L242 HydrophobicContact CE2-CD1 4.33Å; F220-L242 HydrophobicContact CG-CD1 4.43Å; F220-L242 HydrophobicContact CZ-CD1 3.81Å; L242-G244 PolarHBondContact O-N 2.83Å; L242-Q248 HydrophobicContact CD2-CB 3.81Å; L242-A249 HydrophobicContact CB-CB 4.34Å; L242-A249 VanDerWaalsContact CD2-CA 3.47Å; L242-A249 HydrophobicContact CD2-CB 3.81Å; L242-F252 HydrophobicContact CD2-CD2 4.45Å; L242-P271 HydrophobicContact CB-CB 4.17Å; L242-R272 PolarHBondContact N-O 3.11Å; L242-I274 WeakPolarHBondContact O-CG2 3.28Å; L242-I274 PolarHBondContact O-N 2.6Å; L242-I274 VanDerWaalsContact O-N 3.1Å |
| 243 | I | 96.6 | Very high | 95.2 | Very high | 15 Ų | 15 | 43.1 Ų | 43.1 | 8% | 0.077 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -73.9 | 78.8 | 164 | -48.8 | -55.2 | 0 | 0 | 0 | 108.3 | P160 L172 V175 M176 L179 M212 H219 M221 I274 | P160-I243 HydrophobicContact CB-CD1 4.43Å; P160-I243 HydrophobicContact CG-CD1 3.97Å; L172-I243 HydrophobicContact CD1-CG2 4.37Å; V175-I243 HydrophobicContact CB-CG2 4.09Å; V175-I243 HydrophobicContact CG1-CD1 4.43Å; V175-I243 HydrophobicContact CG1-CG2 3.86Å; M176-I243 HydrophobicContact CG-CG2 3.99Å; M176-I243 HydrophobicContact SD-CB 4.41Å; M176-I243 HydrophobicContact SD-CG1 3.95Å; M176-I243 HydrophobicContact SD-CG2 4.22Å; L179-I243 HydrophobicContact CD1-CD1 4.36Å; M212-I243 HydrophobicContact CE-CD1 4.32Å; M212-I243 HydrophobicContact CE-CG1 3.77Å; H219-I243 HydrophobicContact CB-CB 4.27Å; H219-I243 HydrophobicContact CB-CG1 4.05Å; H219-I243 WeakPolarHBondContact O-CB 3.27Å; H219-I243 WeakPolarHBondContact O-CG1 3.33Å; H219-I243 PolarHBondContact O-N 3.42Å; M221-I243 HydrophobicContact CB-CD1 4.47Å; I243-I274 HydrophobicContact CD1-CD1 4.42Å; I243-I274 HydrophobicContact CD1-CG2 3.53Å; I243-I274 HydrophobicContact CG2-CD1 3.95Å |
| 244 | G | 93.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -179.6 | -179.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L242 S273 | L242-G244 PolarHBondContact O-N 2.83Å; G244-S273 PolarHBondContact O-OG 2.71Å |
| 245 | T | 91.7 | Very high | 96.3 | Very high | 51 Ų | 51 | 39.1 Ų | 39.1 | 31% | 0.313 | 18% | 0.183 | S | C | . | . | trans | -77.2 | 164.5 | 178.4 | 70.8 | 0 | 0 | 0 | 0 | 111.8 | L172 K247 Q248 A249 | L172-T245 HydrophobicContact CD2-CG2 4.24Å; T245-K247 PolarHBondContact O-N 3.48Å; T245-Q248 PolarHBondContact O-N 3.07Å; T245-Q248 WeakPolarHBondContact OG1-CG 3.49Å; T245-Q248 PolarHBondContact OG1-N 3.36Å; T245-Q248 PolarHBondContact OG1-OE1 3.01Å; T245-A249 PolarHBondContact O-N 3.13Å | ||
| 246 | R | 91.3 | Very high | 96.5 | Very high | 146 Ų | 146 | 37.1 Ų | 37.1 | 55% | 0.551 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -58 | -46.1 | 173.1 | 179.5 | -179.4 | 170.9 | 152.7 | -11.2 | 112.4 | Q248 A249 E250 E276 | R246-Q248 PolarHBondContact O-N 3.44Å; R246-A249 WeakPolarHBondContact O-CA 3.46Å; R246-A249 WeakPolarHBondContact O-CB 3.19Å; R246-A249 PolarHBondContact O-N 3.01Å; R246-E250 IonicContact NE-OE1 2.74Å; R246-E250 PolarHBondContact NE-OE1 2.85Å; R246-E250 WeakPolarHBondContact O-CG 3.33Å; R246-E250 PolarHBondContact O-N 3.26Å; R246-E276 WeakPolarHBondContact CD-OE1 3.32Å; R246-E276 IonicContact CZ-OE1 2.88Å; R246-E276 IonicContact NE-OE1 3.1Å; R246-E276 IonicContact NH1-OE1 3.9Å; R246-E276 PolarHBondContact NH1-OE1 2.95Å |
| 247 | K | 92 | Very high | 96.6 | Very high | 166 Ų | 166 | 38.3 Ų | 38.3 | 72% | 0.722 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -60.8 | -34.1 | 178 | -173.7 | 177.5 | -179.4 | 179.3 | 0 | 112.4 | T245 N251 | T245-K247 PolarHBondContact O-N 3.48Å; K247-N251 PolarHBondContact O-ND2 3.11Å |
| 248 | Q | 95.1 | Very high | 96.6 | Very high | 62 Ų | 62 | 38 Ų | 38 | 29% | 0.29 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -69.1 | -42.7 | 173.3 | -74.1 | 169.6 | -36.1 | 0 | 0 | 111 | F218 L242 T245 R246 E250 N251 F252 | F218-Q248 HydrophobicContact CE1-CB 4.46Å; F218-Q248 HydrophobicContact CE1-CG 4.31Å; F218-Q248 HydrophobicContact CZ-CG 4.48Å; L242-Q248 HydrophobicContact CD2-CB 3.81Å; T245-Q248 PolarHBondContact O-N 3.07Å; T245-Q248 WeakPolarHBondContact OG1-CG 3.49Å; T245-Q248 PolarHBondContact OG1-N 3.36Å; T245-Q248 PolarHBondContact OG1-OE1 3.01Å; R246-Q248 PolarHBondContact O-N 3.44Å; Q248-E250 VanDerWaalsContact C-N 3.28Å; Q248-E250 PolarHBondContact O-N 3.27Å; Q248-N251 WeakPolarHBondContact CA-ND2 3.48Å; Q248-N251 PolarHBondContact O-N 3.38Å; Q248-N251 VanDerWaalsContact O-N 3.16Å; Q248-N251 PolarHBondContact O-ND2 3.2Å; Q248-F252 VanDerWaalsContact O-CD2 3.29Å; Q248-F252 WeakPolarHBondContact O-CD2 3.23Å |
| 249 | A | 96.4 | Very high | 96.5 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 3% | 0.025 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.6 | -36.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L242 T245 R246 N251 F252 T270 P271 | L242-A249 HydrophobicContact CB-CB 4.34Å; L242-A249 VanDerWaalsContact CD2-CA 3.47Å; L242-A249 HydrophobicContact CD2-CB 3.81Å; T245-A249 PolarHBondContact O-N 3.13Å; R246-A249 WeakPolarHBondContact O-CA 3.46Å; R246-A249 WeakPolarHBondContact O-CB 3.19Å; R246-A249 PolarHBondContact O-N 3.01Å; A249-N251 PolarHBondContact O-N 3.04Å; A249-N251 VanDerWaalsContact O-N 3.12Å; A249-F252 PolarHBondContact O-N 3.3Å; A249-T270 VanDerWaalsContact O-CG2 3.26Å; A249-T270 WeakPolarHBondContact O-CG2 3.42Å; A249-P271 WeakPolarHBondContact CB-O 3.45Å |
| 250 | E | 96.3 | Very high | 96.3 | Very high | 107 Ų | 107 | 42.2 Ų | 42.2 | 50% | 0.5 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -17.5 | 177.1 | -72.2 | 168.5 | -178.3 | 0 | 0 | 114.4 | R246 Q248 F252 | R246-E250 IonicContact NE-OE1 2.74Å; R246-E250 PolarHBondContact NE-OE1 2.85Å; R246-E250 WeakPolarHBondContact O-CG 3.33Å; R246-E250 PolarHBondContact O-N 3.26Å; Q248-E250 VanDerWaalsContact C-N 3.28Å; Q248-E250 PolarHBondContact O-N 3.27Å; E250-F252 VanDerWaalsContact C-N 3.29Å |
| 251 | N | 97.9 | Very high | 96 | Very high | 85 Ų | 85 | 49.8 Ų | 49.8 | 46% | 0.455 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 4.2 | 176.3 | -46.5 | -76.7 | 0 | 0 | 0 | 113.1 | K247 Q248 A249 M312 C313 | K247-N251 PolarHBondContact O-ND2 3.11Å; Q248-N251 WeakPolarHBondContact CA-ND2 3.48Å; Q248-N251 PolarHBondContact O-N 3.38Å; Q248-N251 VanDerWaalsContact O-N 3.16Å; Q248-N251 PolarHBondContact O-ND2 3.2Å; A249-N251 PolarHBondContact O-N 3.04Å; A249-N251 VanDerWaalsContact O-N 3.12Å; N251-M312 VanDerWaalsContact O-CA 3.31Å; N251-M312 WeakPolarHBondContact O-CA 3.47Å; N251-C313 VanDerWaalsContact C-SG 3.5Å; N251-C313 PolarHBondContact O-N 3.25Å |
| 252 | F | 98.4 | Very high | 95.9 | Very high | 8 Ų | 8 | 60.6 Ų | 60.6 | 4% | 0.035 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 149.8 | -178.1 | -61.1 | -77.4 | 0 | 0 | 0 | 111.5 | F216 F218 F220 L242 Q248 A249 E250 P271 I310 S311 M312 C313 | F216-F252 HydrophobicContact CB-CE1 3.8Å; F216-F252 HydrophobicContact CB-CZ 4.16Å; F216-F252 HydrophobicContact CD2-CD1 4.23Å; F216-F252 AromaticContact CD2-CE1 3.76Å; F216-F252 HydrophobicContact CD2-CE1 3.76Å; F216-F252 AromaticContact CG-CE1 3.91Å; F216-F252 HydrophobicContact CG-CE1 3.91Å; F218-F252 AromaticContact CD2-CE2 3.87Å; F218-F252 HydrophobicContact CD2-CE2 3.87Å; F218-F252 AromaticContact CD2-CZ 3.51Å; F218-F252 HydrophobicContact CD2-CZ 3.51Å; F218-F252 HydrophobicContact CE2-CE2 4.02Å; F218-F252 AromaticContact CE2-CZ 3.77Å; F218-F252 HydrophobicContact CE2-CZ 3.77Å; F218-F252 HydrophobicContact CG-CE2 4.35Å; F218-F252 HydrophobicContact CG-CZ 4.32Å; F220-F252 HydrophobicContact CE1-CB 4.32Å; F220-F252 HydrophobicContact CE1-CD2 4.27Å; F220-F252 HydrophobicContact CE1-CG 4.18Å; F220-F252 HydrophobicContact CZ-CB 4.48Å; F220-F252 HydrophobicContact CZ-CD1 4.03Å; F220-F252 HydrophobicContact CZ-CD2 4.03Å; F220-F252 HydrophobicContact CZ-CE1 4.25Å; F220-F252 HydrophobicContact CZ-CE2 4.26Å; F220-F252 AromaticContact CZ-CG 3.92Å; F220-F252 HydrophobicContact CZ-CG 3.92Å; F220-F252 HydrophobicContact CZ-CZ 4.37Å; L242-F252 HydrophobicContact CD2-CD2 4.45Å; Q248-F252 VanDerWaalsContact O-CD2 3.29Å; Q248-F252 WeakPolarHBondContact O-CD2 3.23Å; A249-F252 PolarHBondContact O-N 3.3Å; E250-F252 VanDerWaalsContact C-N 3.29Å; F252-P271 HydrophobicContact CB-CG 3.99Å; F252-P271 WeakPolarHBondContact O-CD 3.45Å; F252-I310 HydrophobicContact CD1-CG2 4.23Å; F252-S311 CarbonylContact C-O 3.58Å; F252-S311 VanDerWaalsContact CA-O 3.31Å; F252-S311 WeakPolarHBondContact CA-O 3.33Å; F252-M312 HydrophobicContact CD1-CG 4.01Å; F252-M312 HydrophobicContact CE1-CG 3.65Å; F252-C313 VanDerWaalsContact C-SG 3.57Å |
| 253 | A | 98.5 | Very high | 95.8 | Very high | 28 Ų | 28 | 67.2 Ų | 67.2 | 23% | 0.231 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 147.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | A269 I310 S311 | A253-A269 WeakPolarHBondContact CA-O 3.46Å; A253-I310 WeakPolarHBondContact O-CA 3.17Å; A253-S311 PolarHBondContact N-O 2.98Å; A253-S311 PolarHBondContact O-N 3.28Å |
| 254 | Y | 98.6 | Very high | 95.9 | Very high | 5 Ų | 5 | 74.6 Ų | 74.6 | 2% | 0.02 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 148.9 | 170.8 | 75.2 | -92.2 | 0 | 0 | 0 | 110 | V240 L256 W267 E268 A269 P271 T309 | V240-Y254 HydrophobicContact CB-CD1 3.71Å; V240-Y254 HydrophobicContact CB-CD2 3.94Å; V240-Y254 HydrophobicContact CB-CE1 3.97Å; V240-Y254 HydrophobicContact CB-CE2 4.19Å; V240-Y254 HydrophobicContact CB-CG 3.68Å; V240-Y254 HydrophobicContact CG1-CD1 4.48Å; V240-Y254 HydrophobicContact CG1-CG 4.38Å; V240-Y254 HydrophobicContact CG2-CD1 4.02Å; V240-Y254 HydrophobicContact CG2-CD2 3.28Å; V240-Y254 HydrophobicContact CG2-CE1 4.32Å; V240-Y254 HydrophobicContact CG2-CE2 3.65Å; V240-Y254 HydrophobicContact CG2-CG 3.47Å; V240-Y254 VanDerWaalsContact CG2-CG 3.47Å; Y254-L256 HydrophobicContact CD2-CD1 4.29Å; Y254-L256 HydrophobicContact CD2-CD2 4.22Å; Y254-L256 HydrophobicContact CD2-CG 3.74Å; Y254-L256 HydrophobicContact CE2-CD1 3.7Å; Y254-L256 HydrophobicContact CE2-CD2 4.45Å; Y254-L256 HydrophobicContact CE2-CG 3.63Å; Y254-W267 AromaticContact CE2-CD1 3.68Å; Y254-W267 AromaticContact CZ-CD1 3.91Å; Y254-W267 AromaticContact CZ-NE1 3.73Å; Y254-W267 PolarHBondContact OH-NE1 2.86Å; Y254-W267 VanDerWaalsContact OH-NE1 3.08Å; Y254-E268 VanDerWaalsContact O-CA 3.25Å; Y254-E268 WeakPolarHBondContact O-CA 3.48Å; Y254-A269 HydrophobicContact CD1-CB 4.49Å; Y254-A269 WeakPolarHBondContact CD1-O 3.46Å; Y254-A269 HydrophobicContact CE1-CB 3.72Å; Y254-A269 PolarHBondContact N-O 3.49Å; Y254-A269 PolarHBondContact O-N 3.43Å; Y254-P271 HydrophobicContact CD1-CB 4.34Å; Y254-P271 HydrophobicContact CD1-CG 3.95Å; Y254-T309 CarbonylContact C-O 3.53Å; Y254-T309 VanDerWaalsContact CA-O 3.28Å; Y254-T309 WeakPolarHBondContact CA-O 3.44Å |
| 255 | R | 98.8 | Very high | 96.1 | Very high | 85 Ų | 85 | 77.4 Ų | 77.4 | 32% | 0.321 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 126.2 | 169.5 | 179.1 | 172.8 | 45.6 | -120.4 | 1.4 | 109.3 | T266 W267 E268 V308 T309 | R255-T266 VanDerWaalsContact CD-CG2 3.45Å; R255-T266 HydrophobicContact CG-CG2 3.55Å; R255-W267 CarbonylContact C-O 3.56Å; R255-W267 WeakPolarHBondContact CA-O 3.45Å; R255-E268 HydrophobicContact CB-CG 3.8Å; R255-E268 VanDerWaalsContact CD-OE1 3.24Å; R255-E268 WeakPolarHBondContact CD-OE1 3.44Å; R255-E268 HydrophobicContact CG-CG 3.76Å; R255-E268 IonicContact CZ-OE1 3.5Å; R255-E268 IonicContact NE-OE1 2.71Å; R255-E268 IonicContact NH1-OE1 3.21Å; R255-E268 PolarHBondContact NH1-OE1 2.77Å; R255-V308 WeakPolarHBondContact O-CA 3.49Å; R255-T309 PolarHBondContact N-O 3.39Å; R255-T309 PolarHBondContact O-N 3.26Å |
| 256 | L | 98.7 | Very high | 96.4 | Very high | 4 Ų | 4 | 77.7 Ų | 77.7 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 130.6 | 167.1 | -59.9 | 176.8 | 0 | 0 | 0 | 108.9 | L222 A238 V240 Y254 T266 W267 L288 I306 N307 V308 | L222-L256 HydrophobicContact CD2-CD2 4.27Å; A238-L256 HydrophobicContact CB-CD1 3.75Å; A238-L256 WeakPolarHBondContact O-CD1 3.38Å; V240-L256 HydrophobicContact CG2-CD2 3.97Å; V240-L256 HydrophobicContact CG2-CG 4.45Å; Y254-L256 HydrophobicContact CD2-CD1 4.29Å; Y254-L256 HydrophobicContact CD2-CD2 4.22Å; Y254-L256 HydrophobicContact CD2-CG 3.74Å; Y254-L256 HydrophobicContact CE2-CD1 3.7Å; Y254-L256 HydrophobicContact CE2-CD2 4.45Å; Y254-L256 HydrophobicContact CE2-CG 3.63Å; L256-T266 CarbonylContact O-C 3.33Å; L256-T266 WeakPolarHBondContact O-CA 3.46Å; L256-W267 PolarHBondContact N-O 3.07Å; L256-W267 PolarHBondContact O-N 3.23Å; L256-L288 HydrophobicContact CB-CD2 3.78Å; L256-L288 HydrophobicContact CD1-CB 4.08Å; L256-L288 HydrophobicContact CD1-CD2 4.29Å; L256-I306 HydrophobicContact CB-CG2 4.13Å; L256-I306 HydrophobicContact CD2-CG2 4.1Å; L256-N307 WeakPolarHBondContact CA-O 3.4Å; L256-V308 HydrophobicContact CD2-CB 4.35Å; L256-V308 HydrophobicContact CD2-CG1 4Å; L256-V308 HydrophobicContact CD2-CG2 3.85Å |
| 257 | E | 98.6 | Very high | 96.7 | Very high | 25 Ų | 25 | 74.3 Ų | 74.3 | 12% | 0.117 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 126.5 | -177.7 | -175.6 | 176.3 | 109.2 | 0 | 0 | 111.9 | N259 R264 L265 T266 N307 | E257-N259 PolarHBondContact OE1-ND2 3.33Å; E257-N259 PolarHBondContact OE1-OD1 2.76Å; E257-R264 VanDerWaalsContact CD-CD 3.4Å; E257-R264 HydrophobicContact CG-CG 3.69Å; E257-R264 WeakPolarHBondContact OE2-CD 3.48Å; E257-R264 IonicContact OE2-NE 4Å; E257-R264 IonicContact OE2-NH1 3.66Å; E257-L265 CarbonylContact C-O 3.54Å; E257-L265 WeakPolarHBondContact CA-O 3.24Å; E257-T266 PolarHBondContact OE2-OG1 3.28Å; E257-N307 HydrophobicContact CB-CB 4.17Å; E257-N307 PolarHBondContact N-O 3.07Å; E257-N307 PolarHBondContact O-N 3.34Å |
| 258 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 124.8 | 168.9 | -54.4 | -178.2 | 0 | 0 | 0 | 108.5 | R264 L265 F290 F298 L304 I306 | L258-R264 WeakPolarHBondContact O-CA 3.44Å; L258-L265 HydrophobicContact CB-CB 4.34Å; L258-L265 HydrophobicContact CD1-CD2 4.21Å; L258-L265 PolarHBondContact N-O 3.21Å; L258-L265 PolarHBondContact O-N 2.99Å; L258-F290 HydrophobicContact CD1-CD1 4.12Å; L258-F290 HydrophobicContact CD1-CD2 4.45Å; L258-F290 HydrophobicContact CD1-CE1 4.01Å; L258-F290 HydrophobicContact CD1-CE2 4.34Å; L258-F290 HydrophobicContact CD1-CG 4.35Å; L258-F290 HydrophobicContact CD1-CZ 4.12Å; L258-F298 HydrophobicContact CB-CB 4.11Å; L258-F298 HydrophobicContact CB-CD1 3.76Å; L258-F298 HydrophobicContact CB-CD2 3.87Å; L258-F298 HydrophobicContact CB-CE1 4.07Å; L258-F298 HydrophobicContact CB-CE2 4.18Å; L258-F298 HydrophobicContact CB-CG 3.66Å; L258-F298 HydrophobicContact CB-CZ 4.27Å; L258-F298 HydrophobicContact CD1-CB 4.49Å; L258-F298 HydrophobicContact CD1-CD2 3.82Å; L258-F298 HydrophobicContact CD1-CE2 4.31Å; L258-F298 HydrophobicContact CD1-CG 4.25Å; L258-F298 WeakPolarHBondContact O-CE1 3.21Å; L258-L304 HydrophobicContact CD2-CD1 4.07Å; L258-L304 HydrophobicContact CD2-CD2 4.17Å; L258-L304 HydrophobicContact CD2-CG 4.12Å; L258-I306 HydrophobicContact CD2-CB 4.21Å; L258-I306 HydrophobicContact CD2-CD1 4.24Å; L258-I306 HydrophobicContact CD2-CG1 3.65Å; L258-I306 HydrophobicContact CD2-CG2 4.16Å |
| 259 | N | 95.9 | Very high | 97.2 | Very high | 67 Ų | 67 | 70.4 Ų | 70.4 | 36% | 0.358 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 131.9 | 179.3 | -78.3 | -63.3 | 0 | 0 | 0 | 110.5 | E257 R264 F298 N307 | E257-N259 PolarHBondContact OE1-ND2 3.33Å; E257-N259 PolarHBondContact OE1-OD1 2.76Å; N259-R264 WeakPolarHBondContact OD1-CG 3.46Å; N259-F298 VanDerWaalsContact C-CD1 3.45Å; N259-N307 PolarHBondContact ND2-ND2 3.36Å |
| 260 | G | 93.1 | Very high | 97.3 | Very high | 26 Ų | 26 | 73.7 Ų | 73.7 | 27% | 0.268 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 178.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | R262 R263 | G260-R262 PolarHBondContact O-N 3.16Å; G260-R263 PolarHBondContact N-O 3.12Å; G260-R263 PolarHBondContact O-N 3.33Å; G260-R263 VanDerWaalsContact O-N 3.13Å; G260-R263 VanDerWaalsContact O-O 3.04Å |
| 261 | H | 92.1 | Very high | 97.3 | Very high | 158 Ų | 158 | 68.8 Ų | 68.8 | 73% | 0.731 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 107.6 | -176.8 | -176 | -91.9 | 0 | 0 | 0 | 111.7 | R263 | H261-R263 PolarHBondContact O-N 3.26Š|
| 262 | R | 94.6 | Very high | 97.2 | Very high | 232 Ų | 232 | 68.3 Ų | 68.3 | 88% | 0.875 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 25.8 | -177.2 | -55.9 | 179.3 | 66.4 | 177 | 2.1 | 114.3 | G260 | G260-R262 PolarHBondContact O-N 3.16Š|
| 263 | R | 96.1 | Very high | 97.1 | Very high | 139 Ų | 139 | 68 Ų | 68 | 53% | 0.525 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 147.8 | -179.6 | -62.2 | -179.7 | -173.1 | 121.5 | -2.5 | 110 | G260 H261 F298 | G260-R263 PolarHBondContact N-O 3.12Å; G260-R263 PolarHBondContact O-N 3.33Å; G260-R263 VanDerWaalsContact O-N 3.13Å; G260-R263 VanDerWaalsContact O-O 3.04Å; H261-R263 PolarHBondContact O-N 3.26Å; R263-F298 HydrophobicContact CB-CE1 4.08Å; R263-F298 HydrophobicContact CB-CZ 4.27Å |
| 264 | R | 97.4 | Very high | 96.8 | Very high | 170 Ų | 170 | 67.4 Ų | 67.4 | 64% | 0.642 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 133.4 | 178.8 | -172.1 | 169.4 | 69.2 | 162.7 | -2.4 | 109.4 | E257 L258 N259 | E257-R264 VanDerWaalsContact CD-CD 3.4Å; E257-R264 HydrophobicContact CG-CG 3.69Å; E257-R264 WeakPolarHBondContact OE2-CD 3.48Å; E257-R264 IonicContact OE2-NE 4Å; E257-R264 IonicContact OE2-NH1 3.66Å; L258-R264 WeakPolarHBondContact O-CA 3.44Å; N259-R264 WeakPolarHBondContact OD1-CG 3.46Å |
| 265 | L | 98.1 | Very high | 96.3 | Very high | 58 Ų | 58 | 68.7 Ų | 68.7 | 30% | 0.304 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 126.3 | 171.4 | 178.9 | 63.6 | 0 | 0 | 0 | 107.9 | E257 L258 L288 F290 I294 F298 | E257-L265 CarbonylContact C-O 3.54Å; E257-L265 WeakPolarHBondContact CA-O 3.24Å; L258-L265 HydrophobicContact CB-CB 4.34Å; L258-L265 HydrophobicContact CD1-CD2 4.21Å; L258-L265 PolarHBondContact N-O 3.21Å; L258-L265 PolarHBondContact O-N 2.99Å; L265-L288 HydrophobicContact CD2-CD1 3.93Å; L265-L288 HydrophobicContact CG-CD1 4.08Å; L265-F290 HydrophobicContact CD2-CB 4.48Å; L265-I294 HydrophobicContact CD2-CG2 4.17Å; L265-F298 HydrophobicContact CB-CE2 4.04Å; L265-F298 HydrophobicContact CB-CZ 3.88Å |
| 266 | T | 98.4 | Very high | 95.7 | Very high | 58 Ų | 58 | 67.9 Ų | 67.9 | 36% | 0.356 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 138.1 | -173.7 | -51.3 | 0 | 0 | 0 | 0 | 109.9 | R255 L256 E257 E268 | R255-T266 VanDerWaalsContact CD-CG2 3.45Å; R255-T266 HydrophobicContact CG-CG2 3.55Å; L256-T266 CarbonylContact O-C 3.33Å; L256-T266 WeakPolarHBondContact O-CA 3.46Å; E257-T266 PolarHBondContact OE2-OG1 3.28Å; T266-E268 HydrophobicContact CG2-CG 4.37Å |
| 267 | W | 98.6 | Very high | 95.2 | Very high | 74 Ų | 74 | 68.8 Ų | 68.8 | 28% | 0.28 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 132.8 | 170.4 | 172 | -90.1 | 0 | 0 | 0 | 109.2 | Y254 R255 L256 A269 L288 | Y254-W267 AromaticContact CE2-CD1 3.68Å; Y254-W267 AromaticContact CZ-CD1 3.91Å; Y254-W267 AromaticContact CZ-NE1 3.73Å; Y254-W267 PolarHBondContact OH-NE1 2.86Å; Y254-W267 VanDerWaalsContact OH-NE1 3.08Å; R255-W267 CarbonylContact C-O 3.56Å; R255-W267 WeakPolarHBondContact CA-O 3.45Å; L256-W267 PolarHBondContact N-O 3.07Å; L256-W267 PolarHBondContact O-N 3.23Å; W267-A269 HydrophobicContact CZ2-CB 4.11Å; W267-L288 HydrophobicContact CB-CB 3.74Å; W267-L288 HydrophobicContact CB-CD1 3.95Å; W267-L288 HydrophobicContact CB-CG 4.26Å; W267-L288 HydrophobicContact CG-CB 3.93Å |
| 268 | E | 98.4 | Very high | 94.9 | Very high | 120 Ų | 120 | 68.4 Ų | 68.4 | 56% | 0.561 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 133.3 | 175.5 | -65.3 | -173.6 | 167.1 | 0 | 0 | 109.3 | Y254 R255 T266 | Y254-E268 VanDerWaalsContact O-CA 3.25Å; Y254-E268 WeakPolarHBondContact O-CA 3.48Å; R255-E268 HydrophobicContact CB-CG 3.8Å; R255-E268 VanDerWaalsContact CD-OE1 3.24Å; R255-E268 WeakPolarHBondContact CD-OE1 3.44Å; R255-E268 HydrophobicContact CG-CG 3.76Å; R255-E268 IonicContact CZ-OE1 3.5Å; R255-E268 IonicContact NE-OE1 2.71Å; R255-E268 IonicContact NH1-OE1 3.21Å; R255-E268 PolarHBondContact NH1-OE1 2.77Å; T266-E268 HydrophobicContact CG2-CG 4.37Å |
| 269 | A | 98.2 | Very high | 94.5 | Very high | 27 Ų | 27 | 72 Ų | 72 | 22% | 0.223 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 172.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A253 Y254 W267 | A253-A269 WeakPolarHBondContact CA-O 3.46Å; Y254-A269 HydrophobicContact CD1-CB 4.49Å; Y254-A269 WeakPolarHBondContact CD1-O 3.46Å; Y254-A269 HydrophobicContact CE1-CB 3.72Å; Y254-A269 PolarHBondContact N-O 3.49Å; Y254-A269 PolarHBondContact O-N 3.43Å; W267-A269 HydrophobicContact CZ2-CB 4.11Å |
| 270 | T | 98.1 | Very high | 94.2 | Very high | 72 Ų | 72 | 72.6 Ų | 72.6 | 44% | 0.442 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -76.7 | 135.1 | 168.9 | -57.4 | 0 | 0 | 0 | 0 | 109.7 | A249 | A249-T270 VanDerWaalsContact O-CG2 3.26Å; A249-T270 WeakPolarHBondContact O-CG2 3.42Å |
| 271 | P | 97.8 | Very high | 94.2 | Very high | 4 Ų | 4 | 71.6 Ų | 71.6 | 3% | 0.026 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 145.4 | 175.8 | -23.8 | 33.3 | 0 | 0 | 0 | 111.9 | F220 V240 L242 A249 F252 Y254 | F220-P271 HydrophobicContact CD1-CB 4.28Å; F220-P271 HydrophobicContact CD1-CG 4.2Å; F220-P271 HydrophobicContact CE1-CB 4.34Å; F220-P271 HydrophobicContact CE1-CG 3.97Å; V240-P271 HydrophobicContact CG1-CB 4.41Å; L242-P271 HydrophobicContact CB-CB 4.17Å; A249-P271 WeakPolarHBondContact CB-O 3.45Å; F252-P271 HydrophobicContact CB-CG 3.99Å; F252-P271 WeakPolarHBondContact O-CD 3.45Å; Y254-P271 HydrophobicContact CD1-CB 4.34Å; Y254-P271 HydrophobicContact CD1-CG 3.95Å |
| 272 | R | 95.6 | Very high | 94.3 | Very high | 74 Ų | 74 | 64.4 Ų | 64.4 | 28% | 0.279 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 139.9 | 172.1 | -68.8 | -60.9 | -174.5 | 174.6 | -7.1 | 110.9 | I239 V240 Q241 L242 E276 D286 | I239-R272 HydrophobicContact CD1-CG 3.88Å; V240-R272 PolarHBondContact O-N 3.43Å; Q241-R272 CarbonylContact C-O 3.56Å; Q241-R272 WeakPolarHBondContact CA-O 3.38Å; Q241-R272 HydrophobicContact CB-CB 4.43Å; Q241-R272 WeakPolarHBondContact CB-O 3.33Å; L242-R272 PolarHBondContact N-O 3.11Å; R272-E276 IonicContact NH1-OE2 2.61Å; R272-E276 PolarHBondContact NH1-OE2 3.49Å; R272-E276 VanDerWaalsContact NH1-OE2 3.1Å; R272-D286 IonicContact CZ-OD2 3.37Å; R272-D286 IonicContact NH2-OD2 3.4Å; R272-D286 PolarHBondContact NH2-OD2 3.46Å |
| 273 | S | 94.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.007 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 142.2 | 169.3 | 168.6 | 0 | 0 | 0 | 0 | 109.8 | G244 H275 E276 G277 | G244-S273 PolarHBondContact O-OG 2.71Å; S273-H275 PolarHBondContact O-N 2.91Å; S273-H275 WeakPolarHBondContact OG-CB 3.4Å; S273-H275 PolarHBondContact OG-N 2.72Å; S273-E276 PolarHBondContact O-N 3.43Å; S273-G277 PolarHBondContact O-N 2.79Å |
| 274 | I | 92.9 | Very high | 94.1 | Very high | 16 Ų | 16 | 58.6 Ų | 58.6 | 8% | 0.082 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -14 | 169.2 | 53.4 | 162.8 | 0 | 0 | 0 | 113.9 | Y157 P160 L172 V175 Q241 L242 I243 | Y157-I274 HydrophobicContact CD1-CB 4.42Å; Y157-I274 HydrophobicContact CD1-CD1 3.46Å; Y157-I274 VanDerWaalsContact CD1-CD1 3.46Å; Y157-I274 HydrophobicContact CD1-CG1 3.62Å; Y157-I274 HydrophobicContact CE1-CD1 3.89Å; Y157-I274 HydrophobicContact CE1-CG1 3.69Å; Y157-I274 HydrophobicContact CG-CD1 4.18Å; P160-I274 HydrophobicContact CB-CB 4.26Å; P160-I274 HydrophobicContact CB-CG2 3.57Å; P160-I274 HydrophobicContact CG-CG2 4.25Å; L172-I274 HydrophobicContact CD1-CD1 3.74Å; L172-I274 HydrophobicContact CD1-CG1 4.45Å; V175-I274 HydrophobicContact CB-CD1 4.45Å; V175-I274 HydrophobicContact CG1-CD1 4.08Å; V175-I274 HydrophobicContact CG2-CD1 3.98Å; Q241-I274 HydrophobicContact CG-CG2 4.25Å; L242-I274 WeakPolarHBondContact O-CG2 3.28Å; L242-I274 PolarHBondContact O-N 2.6Å; L242-I274 VanDerWaalsContact O-N 3.1Å; I243-I274 HydrophobicContact CD1-CD1 4.42Å; I243-I274 HydrophobicContact CD1-CG2 3.53Å; I243-I274 HydrophobicContact CG2-CD1 3.95Å |
| 275 | H | 87.3 | Confident | 93.9 | Very high | 33 Ų | 33 | 53.7 Ų | 53.7 | 15% | 0.153 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -42.2 | 171.9 | -160.3 | 78.3 | 0 | 0 | 0 | 112 | C152 Y157 S273 | C152-H275 PolarHBondContact O-CE1 3.45Å; C152-H275 VanDerWaalsContact O-CE1 3.23Å; C152-H275 PolarHBondContact O-NE2 3.4Å; Y157-H275 HydrophobicContact CE1-CB 3.71Å; Y157-H275 AromaticContact CE1-ND1 3.7Å; Y157-H275 AromaticContact CZ-ND1 3.74Å; S273-H275 PolarHBondContact O-N 2.91Å; S273-H275 WeakPolarHBondContact OG-CB 3.4Å; S273-H275 PolarHBondContact OG-N 2.72Å |
| 276 | E | 86 | Confident | 93.9 | Very high | 67 Ų | 67 | 53.8 Ų | 53.8 | 31% | 0.313 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -32.7 | 176 | -60.2 | -174.6 | 150.6 | 0 | 0 | 110.8 | R246 R272 S273 | R246-E276 WeakPolarHBondContact CD-OE1 3.32Å; R246-E276 IonicContact CZ-OE1 2.88Å; R246-E276 IonicContact NE-OE1 3.1Å; R246-E276 IonicContact NH1-OE1 3.9Å; R246-E276 PolarHBondContact NH1-OE1 2.95Å; R272-E276 IonicContact NH1-OE2 2.61Å; R272-E276 PolarHBondContact NH1-OE2 3.49Å; R272-E276 VanDerWaalsContact NH1-OE2 3.1Å; S273-E276 PolarHBondContact O-N 3.43Å |
| 277 | G | 88.7 | Confident | 93.8 | Very high | 23 Ų | 23 | 51.2 Ų | 51.2 | 24% | 0.237 | 28% | 0.284 | C | S | . | . | trans | 70.4 | -170.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S273 | S273-G277 PolarHBondContact O-N 2.79Š| ||
| 278 | I | 91.8 | Very high | 93.8 | Very high | 18 Ų | 18 | 48 Ų | 48 | 9% | 0.092 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -116.5 | -13.9 | -173.3 | 63 | 175.5 | 0 | 0 | 0 | 114.3 | V223 I239 Q241 T280 A281 I282 | V223-I278 HydrophobicContact CB-CD1 4.04Å; V223-I278 HydrophobicContact CG1-CD1 3.84Å; V223-I278 HydrophobicContact CG2-CD1 3.95Å; I239-I278 HydrophobicContact CD1-CB 4.29Å; I239-I278 HydrophobicContact CD1-CG2 4.13Å; I239-I278 HydrophobicContact CG2-CB 4.07Å; I239-I278 HydrophobicContact CG2-CD1 4.09Å; I239-I278 HydrophobicContact CG2-CG2 3.89Å; Q241-I278 HydrophobicContact CB-CG2 4.03Å; Q241-I278 HydrophobicContact CG-CG2 4.49Å; I278-T280 PolarHBondContact O-N 3.44Å; I278-A281 PolarHBondContact O-N 3.14Å; I278-A281 VanDerWaalsContact O-N 3.14Å; I278-I282 HydrophobicContact CB-CD1 4.45Å; I278-I282 HydrophobicContact CD1-CD1 4.13Å; I278-I282 HydrophobicContact CG1-CD1 4.19Å; I278-I282 WeakPolarHBondContact O-CG1 3.16Å; I278-I282 PolarHBondContact O-N 3.46Å |
| 279 | A | 90.4 | Very high | 93.8 | Very high | 75 Ų | 75 | 44.3 Ų | 44.3 | 62% | 0.62 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -59.2 | -45.7 | -174 | 0 | 0 | 0 | 0 | 0 | 112.6 | I282 M283 | A279-I282 PolarHBondContact O-N 2.93Å; A279-M283 WeakPolarHBondContact O-CB 3.13Å; A279-M283 PolarHBondContact O-N 3.46Å |
| 280 | T | 90.6 | Very high | 93.7 | Very high | 79 Ų | 79 | 43.2 Ų | 43.2 | 49% | 0.485 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.8 | -36.8 | 178 | -51.4 | 0 | 0 | 0 | 0 | 111.9 | I278 M283 N284 | I278-T280 PolarHBondContact O-N 3.44Å; T280-M283 HydrophobicContact CG2-CE 4.42Å; T280-M283 PolarHBondContact O-N 2.83Å; T280-N284 WeakPolarHBondContact O-CB 3.46Å; T280-N284 VanDerWaalsContact O-CG 3.27Å; T280-N284 PolarHBondContact O-N 3.25Å; T280-N284 PolarHBondContact O-ND2 2.76Å |
| 281 | A | 93.1 | Very high | 93.6 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.5 | -44.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I239 I278 N284 S285 D286 | I239-A281 HydrophobicContact CD1-CB 3.55Å; I278-A281 PolarHBondContact O-N 3.14Å; I278-A281 VanDerWaalsContact O-N 3.14Å; A281-N284 CarbonylContact O-C 3.58Å; A281-N284 PolarHBondContact O-N 3.29Å; A281-S285 PolarHBondContact O-N 2.87Å; A281-S285 VanDerWaalsContact O-N 3.09Å; A281-D286 PolarHBondContact O-N 2.99Å |
| 282 | I | 92.8 | Very high | 93.4 | Very high | 7 Ų | 7 | 44.5 Ų | 44.5 | 4% | 0.036 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 175.3 | -68.5 | 173.7 | 0 | 0 | 0 | 110.9 | E225 F237 I278 A279 N284 S285 | E225-I282 VanDerWaalsContact OE2-CD1 3.28Å; E225-I282 WeakPolarHBondContact OE2-CD1 3.27Å; F237-I282 HydrophobicContact CB-CD1 4.49Å; F237-I282 HydrophobicContact CB-CG1 4.22Å; F237-I282 HydrophobicContact CB-CG2 4.27Å; F237-I282 HydrophobicContact CD1-CG2 3.78Å; F237-I282 HydrophobicContact CD2-CG2 4.24Å; F237-I282 HydrophobicContact CE1-CG2 4.15Å; F237-I282 HydrophobicContact CG-CG2 3.84Å; I278-I282 HydrophobicContact CB-CD1 4.45Å; I278-I282 HydrophobicContact CD1-CD1 4.13Å; I278-I282 HydrophobicContact CG1-CD1 4.19Å; I278-I282 WeakPolarHBondContact O-CG1 3.16Å; I278-I282 PolarHBondContact O-N 3.46Å; A279-I282 PolarHBondContact O-N 2.93Å; I282-N284 PolarHBondContact O-N 3.45Å; I282-S285 PolarHBondContact O-N 2.89Å |
| 283 | M | 91.8 | Very high | 93.3 | Very high | 142 Ų | 142 | 45.2 Ų | 45.2 | 70% | 0.7 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -58.2 | -37.5 | 177.8 | -174.9 | 178.9 | 67.4 | 0 | 0 | 112.3 | A279 T280 S285 | A279-M283 WeakPolarHBondContact O-CB 3.13Å; A279-M283 PolarHBondContact O-N 3.46Å; T280-M283 HydrophobicContact CG2-CE 4.42Å; T280-M283 PolarHBondContact O-N 2.83Å; M283-S285 VanDerWaalsContact C-N 3.33Å |
| 284 | N | 94.8 | Very high | 93.3 | Very high | 107 Ų | 107 | 47.8 Ų | 47.8 | 57% | 0.572 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | 1.3 | 179.4 | -66.9 | -21.6 | 0 | 0 | 0 | 113.7 | T280 A281 I282 D286 | T280-N284 WeakPolarHBondContact O-CB 3.46Å; T280-N284 VanDerWaalsContact O-CG 3.27Å; T280-N284 PolarHBondContact O-N 3.25Å; T280-N284 PolarHBondContact O-ND2 2.76Å; A281-N284 CarbonylContact O-C 3.58Å; A281-N284 PolarHBondContact O-N 3.29Å; I282-N284 PolarHBondContact O-N 3.45Å; N284-D286 PolarHBondContact O-N 2.92Å |
| 285 | S | 94.6 | Very high | 93.5 | Very high | 67 Ų | 67 | 47.1 Ų | 47.1 | 47% | 0.469 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 32 | -172.9 | -53 | 0 | 0 | 0 | 0 | 113.4 | A281 I282 M283 C287 | A281-S285 PolarHBondContact O-N 2.87Å; A281-S285 VanDerWaalsContact O-N 3.09Å; I282-S285 PolarHBondContact O-N 2.89Å; M283-S285 VanDerWaalsContact C-N 3.33Å; S285-C287 VanDerWaalsContact C-N 3.25Å; S285-C287 PolarHBondContact O-N 2.93Å |
| 286 | D | 96.9 | Very high | 93.8 | Very high | 61 Ų | 61 | 50.3 Ų | 50.3 | 33% | 0.326 | 30% | 0.295 | S | S | . | . | trans | -91.5 | 59.7 | 176.2 | -174.6 | 25.6 | 0 | 0 | 0 | 110.5 | R272 A281 N284 | R272-D286 IonicContact CZ-OD2 3.37Å; R272-D286 IonicContact NH2-OD2 3.4Å; R272-D286 PolarHBondContact NH2-OD2 3.46Å; A281-D286 PolarHBondContact O-N 2.99Å; N284-D286 PolarHBondContact O-N 2.92Å | ||
| 287 | C | 97.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 3% | 0.027 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -165.3 | -179 | 177.5 | 62.9 | 0 | 0 | 0 | 0 | 109.9 | A238 I239 S285 V289 | A238-C287 WeakPolarHBondContact O-CB 3.44Å; I239-C287 HydrophobicContact CB-CB 3.89Å; I239-C287 HydrophobicContact CD1-CB 4.01Å; I239-C287 HydrophobicContact CG1-CB 4.03Å; S285-C287 VanDerWaalsContact C-N 3.25Å; S285-C287 PolarHBondContact O-N 2.93Å; C287-V289 PolarHBondContact O-N 3.17Å |
| 288 | L | 98.3 | Very high | 94.7 | Very high | 6 Ų | 6 | 51.4 Ų | 51.4 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 112.1 | 173.4 | 173.8 | 60.4 | 0 | 0 | 0 | 109.3 | A238 L256 L265 W267 F290 | A238-L288 HydrophobicContact CB-CB 4.15Å; A238-L288 HydrophobicContact CB-CD2 4.29Å; A238-L288 HydrophobicContact CB-CG 4.43Å; A238-L288 PolarHBondContact N-O 2.96Å; A238-L288 PolarHBondContact O-N 3.16Å; L256-L288 HydrophobicContact CB-CD2 3.78Å; L256-L288 HydrophobicContact CD1-CB 4.08Å; L256-L288 HydrophobicContact CD1-CD2 4.29Å; L265-L288 HydrophobicContact CD2-CD1 3.93Å; L265-L288 HydrophobicContact CG-CD1 4.08Å; W267-L288 HydrophobicContact CB-CB 3.74Å; W267-L288 HydrophobicContact CB-CD1 3.95Å; W267-L288 HydrophobicContact CB-CG 4.26Å; W267-L288 HydrophobicContact CG-CB 3.93Å; L288-F290 HydrophobicContact CD1-CD1 4.37Å; L288-F290 HydrophobicContact CD2-CD1 4.45Å; L288-F290 HydrophobicContact CD2-CE1 4.24Å; L288-F290 HydrophobicContact CG-CD1 3.99Å; L288-F290 HydrophobicContact CG-CE1 4.14Å |
| 289 | V | 97.6 | Very high | 94.9 | Very high | 43 Ų | 43 | 51.6 Ų | 51.6 | 26% | 0.261 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133 | 179.5 | -172.4 | 0 | 0 | 0 | 0 | 110.7 | F236 F237 C287 | F236-V289 WeakPolarHBondContact O-CA 3.43Å; F237-V289 HydrophobicContact CD1-CB 4.44Å; F237-V289 HydrophobicContact CD1-CG1 4.15Å; F237-V289 HydrophobicContact CD1-CG2 3.57Å; F237-V289 HydrophobicContact CE1-CB 4.47Å; F237-V289 HydrophobicContact CE1-CG1 3.83Å; F237-V289 HydrophobicContact CE1-CG2 3.76Å; F237-V289 HydrophobicContact CZ-CG1 4.26Å; C287-V289 PolarHBondContact O-N 3.17Å |
| 290 | F | 96.9 | Very high | 95.1 | Very high | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.018 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 155.7 | 174.2 | 55.2 | -85.5 | 0 | 0 | 0 | 111.6 | L224 F236 L258 L265 L288 I294 A295 L304 | L224-F290 HydrophobicContact CD1-CE1 4.36Å; L224-F290 HydrophobicContact CD1-CZ 3.96Å; F236-F290 HydrophobicContact CB-CD1 4.27Å; F236-F290 HydrophobicContact CB-CD2 3.78Å; F236-F290 HydrophobicContact CB-CE1 3.93Å; F236-F290 HydrophobicContact CB-CE2 3.4Å; F236-F290 VanDerWaalsContact CB-CE2 3.4Å; F236-F290 HydrophobicContact CB-CG 4.2Å; F236-F290 HydrophobicContact CB-CZ 3.48Å; F236-F290 VanDerWaalsContact CB-CZ 3.48Å; F236-F290 HydrophobicContact CD1-CE2 4.31Å; F236-F290 AromaticContact CD2-CD2 4Å; F236-F290 HydrophobicContact CD2-CD2 4Å; F236-F290 AromaticContact CD2-CE2 3.79Å; F236-F290 HydrophobicContact CD2-CE2 3.79Å; F236-F290 HydrophobicContact CG-CD2 4.12Å; F236-F290 AromaticContact CG-CE2 3.58Å; F236-F290 HydrophobicContact CG-CE2 3.58Å; F236-F290 HydrophobicContact CG-CZ 4.02Å; F236-F290 PolarHBondContact N-O 3.43Å; F236-F290 PolarHBondContact O-N 3.25Å; F236-F290 VanDerWaalsContact O-N 3.11Å; L258-F290 HydrophobicContact CD1-CD1 4.12Å; L258-F290 HydrophobicContact CD1-CD2 4.45Å; L258-F290 HydrophobicContact CD1-CE1 4.01Å; L258-F290 HydrophobicContact CD1-CE2 4.34Å; L258-F290 HydrophobicContact CD1-CG 4.35Å; L258-F290 HydrophobicContact CD1-CZ 4.12Å; L265-F290 HydrophobicContact CD2-CB 4.48Å; L288-F290 HydrophobicContact CD1-CD1 4.37Å; L288-F290 HydrophobicContact CD2-CD1 4.45Å; L288-F290 HydrophobicContact CD2-CE1 4.24Å; L288-F290 HydrophobicContact CG-CD1 3.99Å; L288-F290 HydrophobicContact CG-CE1 4.14Å; F290-I294 HydrophobicContact CB-CB 3.96Å; F290-I294 HydrophobicContact CB-CD1 4.08Å; F290-I294 HydrophobicContact CB-CG2 3.7Å; F290-I294 HydrophobicContact CD2-CG2 4.37Å; F290-I294 HydrophobicContact CG-CG2 4.28Å; F290-A295 HydrophobicContact CD2-CB 3.92Å; F290-A295 HydrophobicContact CE2-CB 3.76Å; F290-L304 HydrophobicContact CE2-CD2 3.74Å; F290-L304 HydrophobicContact CZ-CD2 3.57Å |
| 291 | D | 95.1 | Very high | 95.1 | Very high | 65 Ų | 65 | 59 Ų | 59 | 35% | 0.348 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 174.1 | 176.9 | 64.5 | 32.8 | 0 | 0 | 0 | 112 | S293 I294 A295 | D291-S293 PolarHBondContact O-N 3.14Å; D291-S293 WeakPolarHBondContact OD1-CA 3.38Å; D291-S293 VanDerWaalsContact OD1-CB 3.3Å; D291-S293 WeakPolarHBondContact OD1-CB 3.22Å; D291-S293 PolarHBondContact OD1-N 3.08Å; D291-I294 PolarHBondContact O-N 3.26Å; D291-I294 WeakPolarHBondContact OD1-CG1 3.16Å; D291-I294 PolarHBondContact OD1-N 3.28Å; D291-A295 PolarHBondContact O-N 2.97Å |
| 292 | T | 93.3 | Very high | 95.1 | Very high | 37 Ų | 37 | 59.6 Ų | 59.6 | 23% | 0.227 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.4 | -31.9 | 177 | -51 | 0 | 0 | 0 | 0 | 113 | Q234 A295 Q296 | Q234-T292 WeakPolarHBondContact CB-OG1 3.43Å; T292-A295 PolarHBondContact O-N 3.18Å; T292-Q296 HydrophobicContact CG2-CG 4.44Å; T292-Q296 WeakPolarHBondContact O-CG 3.35Å; T292-Q296 PolarHBondContact O-N 3.45Å |
| 293 | S | 93.6 | Very high | 95.2 | Very high | 89 Ų | 89 | 61.5 Ų | 61.5 | 62% | 0.622 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -66.8 | -42.6 | 178.7 | -60.9 | 0 | 0 | 0 | 0 | 111.2 | D291 L297 | D291-S293 PolarHBondContact O-N 3.14Å; D291-S293 WeakPolarHBondContact OD1-CA 3.38Å; D291-S293 VanDerWaalsContact OD1-CB 3.3Å; D291-S293 WeakPolarHBondContact OD1-CB 3.22Å; D291-S293 PolarHBondContact OD1-N 3.08Å; S293-L297 PolarHBondContact O-N 3.2Å |
| 294 | I | 95.6 | Very high | 95.5 | Very high | 56 Ų | 56 | 54.8 Ų | 54.8 | 29% | 0.287 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.9 | -46.4 | 173.1 | -66.8 | 171.7 | 0 | 0 | 0 | 110.1 | L265 F290 D291 Q296 L297 F298 | L265-I294 HydrophobicContact CD2-CG2 4.17Å; F290-I294 HydrophobicContact CB-CB 3.96Å; F290-I294 HydrophobicContact CB-CD1 4.08Å; F290-I294 HydrophobicContact CB-CG2 3.7Å; F290-I294 HydrophobicContact CD2-CG2 4.37Å; F290-I294 HydrophobicContact CG-CG2 4.28Å; D291-I294 PolarHBondContact O-N 3.26Å; D291-I294 WeakPolarHBondContact OD1-CG1 3.16Å; D291-I294 PolarHBondContact OD1-N 3.28Å; I294-Q296 PolarHBondContact O-N 3.07Å; I294-L297 WeakPolarHBondContact O-CB 3.45Å; I294-L297 PolarHBondContact O-N 2.68Å; I294-F298 HydrophobicContact CG2-CD2 3.85Å; I294-F298 HydrophobicContact CG2-CE2 3.72Å; I294-F298 VanDerWaalsContact O-CD2 3.24Å; I294-F298 WeakPolarHBondContact O-CD2 3.36Å |
| 295 | A | 95.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -54.3 | -42.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I201 F236 F290 D291 T292 L297 F298 A299 | I201-A295 HydrophobicContact CD1-CB 4.12Å; F236-A295 HydrophobicContact CD2-CB 4.17Å; F236-A295 HydrophobicContact CE2-CB 3.9Å; F236-A295 HydrophobicContact CZ-CB 4.45Å; F290-A295 HydrophobicContact CD2-CB 3.92Å; F290-A295 HydrophobicContact CE2-CB 3.76Å; D291-A295 PolarHBondContact O-N 2.97Å; T292-A295 PolarHBondContact O-N 3.18Å; A295-L297 VanDerWaalsContact C-N 3.3Å; A295-L297 PolarHBondContact O-N 3.5Å; A295-F298 PolarHBondContact O-N 2.9Å; A295-F298 VanDerWaalsContact O-N 3.15Å; A295-A299 VanDerWaalsContact O-CB 3.28Å; A295-A299 WeakPolarHBondContact O-CB 3.24Å; A295-A299 PolarHBondContact O-N 3.31Å |
| 296 | Q | 94.1 | Very high | 95.8 | Very high | 100 Ų | 100 | 47.7 Ų | 47.7 | 47% | 0.467 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.6 | -26.5 | 178.2 | -71.5 | -79.2 | -17.3 | 0 | 0 | 114 | N202 T292 I294 F298 | N202-Q296 PolarHBondContact ND2-NE2 2.85Å; N202-Q296 PolarHBondContact OD1-NE2 3.33Å; T292-Q296 HydrophobicContact CG2-CG 4.44Å; T292-Q296 WeakPolarHBondContact O-CG 3.35Å; T292-Q296 PolarHBondContact O-N 3.45Å; I294-Q296 PolarHBondContact O-N 3.07Å; Q296-F298 VanDerWaalsContact C-N 3.25Å; Q296-F298 PolarHBondContact O-N 3.29Å |
| 297 | L | 96.3 | Very high | 95.9 | Very high | 91 Ų | 91 | 47.2 Ų | 47.2 | 48% | 0.476 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -73.1 | -20.7 | 175.5 | -64.8 | 174.8 | 0 | 0 | 0 | 113 | S293 I294 A295 | S293-L297 PolarHBondContact O-N 3.2Å; I294-L297 WeakPolarHBondContact O-CB 3.45Å; I294-L297 PolarHBondContact O-N 2.68Å; A295-L297 VanDerWaalsContact C-N 3.3Å; A295-L297 PolarHBondContact O-N 3.5Å |
| 298 | F | 97.1 | Very high | 95.9 | Very high | 22 Ų | 22 | 47 Ų | 47 | 10% | 0.096 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -112.2 | -12.3 | -175.7 | -67.3 | -67.6 | 0 | 0 | 0 | 113.3 | L258 N259 R263 L265 I294 A295 Q296 L304 | L258-F298 HydrophobicContact CB-CB 4.11Å; L258-F298 HydrophobicContact CB-CD1 3.76Å; L258-F298 HydrophobicContact CB-CD2 3.87Å; L258-F298 HydrophobicContact CB-CE1 4.07Å; L258-F298 HydrophobicContact CB-CE2 4.18Å; L258-F298 HydrophobicContact CB-CG 3.66Å; L258-F298 HydrophobicContact CB-CZ 4.27Å; L258-F298 HydrophobicContact CD1-CB 4.49Å; L258-F298 HydrophobicContact CD1-CD2 3.82Å; L258-F298 HydrophobicContact CD1-CE2 4.31Å; L258-F298 HydrophobicContact CD1-CG 4.25Å; L258-F298 WeakPolarHBondContact O-CE1 3.21Å; N259-F298 VanDerWaalsContact C-CD1 3.45Å; R263-F298 HydrophobicContact CB-CE1 4.08Å; R263-F298 HydrophobicContact CB-CZ 4.27Å; L265-F298 HydrophobicContact CB-CE2 4.04Å; L265-F298 HydrophobicContact CB-CZ 3.88Å; I294-F298 HydrophobicContact CG2-CD2 3.85Å; I294-F298 HydrophobicContact CG2-CE2 3.72Å; I294-F298 VanDerWaalsContact O-CD2 3.24Å; I294-F298 WeakPolarHBondContact O-CD2 3.36Å; A295-F298 PolarHBondContact O-N 2.9Å; A295-F298 VanDerWaalsContact O-N 3.15Å; Q296-F298 VanDerWaalsContact C-N 3.25Å; Q296-F298 PolarHBondContact O-N 3.29Å; F298-L304 HydrophobicContact CB-CD1 3.67Å |
| 299 | A | 96.3 | Very high | 95.9 | Very high | 22 Ų | 22 | 48 Ų | 48 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 144 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I201 A295 N303 L304 | I201-A299 HydrophobicContact CD1-CB 3.5Å; A295-A299 VanDerWaalsContact O-CB 3.28Å; A295-A299 WeakPolarHBondContact O-CB 3.24Å; A295-A299 PolarHBondContact O-N 3.31Å; A299-N303 CarbonylContact C-O 3.43Å; A299-N303 VanDerWaalsContact CA-O 3.23Å; A299-N303 WeakPolarHBondContact CA-O 3.5Å; A299-N303 WeakPolarHBondContact CB-O 3.32Å; A299-L304 HydrophobicContact CB-CD1 4.45Å |
| 300 | E | 94.3 | Very high | 96 | Very high | 153 Ų | 153 | 46 Ų | 46 | 72% | 0.715 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 125.7 | 172.1 | -67.8 | -173.5 | 176 | 0 | 0 | 109.2 | G302 N303 | E300-G302 PolarHBondContact O-N 3.19Å; E300-G302 VanDerWaalsContact O-N 3.15Å; E300-N303 PolarHBondContact N-O 3Å; E300-N303 PolarHBondContact O-N 3.31Å |
| 301 | N | 92.1 | Very high | 96 | Very high | 157 Ų | 157 | 48.5 Ų | 48.5 | 84% | 0.84 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 33.8 | -178.3 | -56.2 | -39.6 | 0 | 0 | 0 | 114 | N303 | N301-N303 VanDerWaalsContact C-N 3.26Å; N301-N303 PolarHBondContact O-N 3.41Å |
| 302 | G | 91.4 | Very high | 96.1 | Very high | 18 Ų | 18 | 51.4 Ų | 51.4 | 19% | 0.186 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 3.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | D200 I201 E300 | D200-G302 WeakPolarHBondContact CA-O 3.38Å; D200-G302 PolarHBondContact N-O 3.17Å; I201-G302 PolarHBondContact N-O 2.71Å; E300-G302 PolarHBondContact O-N 3.19Å; E300-G302 VanDerWaalsContact O-N 3.15Å |
| 303 | N | 96 | Very high | 96 | Very high | 47 Ų | 47 | 55.7 Ų | 55.7 | 25% | 0.251 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 138.4 | 176 | -53.2 | -46.9 | 0 | 0 | 0 | 110.3 | L197 A198 T199 D200 A299 E300 N301 | L197-N303 HydrophobicContact CD1-CB 3.87Å; L197-N303 HydrophobicContact CG-CB 4.39Å; A198-N303 CarbonylContact O-C 3.58Å; A198-N303 WeakPolarHBondContact O-CA 3.14Å; T199-N303 VanDerWaalsContact CA-OD1 3.25Å; T199-N303 WeakPolarHBondContact CA-OD1 3.01Å; D200-N303 PolarHBondContact N-OD1 3.18Å; A299-N303 CarbonylContact C-O 3.43Å; A299-N303 VanDerWaalsContact CA-O 3.23Å; A299-N303 WeakPolarHBondContact CA-O 3.5Å; A299-N303 WeakPolarHBondContact CB-O 3.32Å; E300-N303 PolarHBondContact N-O 3Å; E300-N303 PolarHBondContact O-N 3.31Å; N301-N303 VanDerWaalsContact C-N 3.26Å; N301-N303 PolarHBondContact O-N 3.41Å |
| 304 | L | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 116.5 | 176.6 | -174.9 | 67.8 | 0 | 0 | 0 | 109.7 | A198 I201 L258 F290 F298 A299 I306 | A198-L304 HydrophobicContact CB-CB 4.4Å; A198-L304 PolarHBondContact N-O 2.63Å; A198-L304 PolarHBondContact O-N 3.18Å; I201-L304 HydrophobicContact CD1-CB 4.03Å; I201-L304 HydrophobicContact CG2-CB 3.73Å; L258-L304 HydrophobicContact CD2-CD1 4.07Å; L258-L304 HydrophobicContact CD2-CD2 4.17Å; L258-L304 HydrophobicContact CD2-CG 4.12Å; F290-L304 HydrophobicContact CE2-CD2 3.74Å; F290-L304 HydrophobicContact CZ-CD2 3.57Å; F298-L304 HydrophobicContact CB-CD1 3.67Å; A299-L304 HydrophobicContact CB-CD1 4.45Å; L304-I306 HydrophobicContact CD2-CD1 4.34Å; L304-I306 HydrophobicContact CD2-CG1 4.37Å; L304-I306 HydrophobicContact CG-CG1 4.28Å |
| 305 | G | 97.3 | Very high | 96.2 | Very high | 24 Ų | 24 | 53.9 Ų | 53.9 | 25% | 0.247 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 123.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 306 | I | 98.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 117.3 | 174.4 | -46.1 | -172.3 | 0 | 0 | 0 | 107.4 | V195 F196 L224 A238 L256 L258 L304 V308 | V195-I306 WeakPolarHBondContact CA-O 3.41Å; F196-I306 HydrophobicContact CB-CB 4.36Å; F196-I306 HydrophobicContact CD1-CD1 4.24Å; F196-I306 PolarHBondContact N-O 3.05Å; F196-I306 PolarHBondContact O-N 3.25Å; L224-I306 HydrophobicContact CD1-CD1 4.29Å; L224-I306 HydrophobicContact CD2-CD1 4.35Å; A238-I306 HydrophobicContact CB-CD1 4.43Å; L256-I306 HydrophobicContact CB-CG2 4.13Å; L256-I306 HydrophobicContact CD2-CG2 4.1Å; L258-I306 HydrophobicContact CD2-CB 4.21Å; L258-I306 HydrophobicContact CD2-CD1 4.24Å; L258-I306 HydrophobicContact CD2-CG1 3.65Å; L258-I306 HydrophobicContact CD2-CG2 4.16Å; L304-I306 HydrophobicContact CD2-CD1 4.34Å; L304-I306 HydrophobicContact CD2-CG1 4.37Å; L304-I306 HydrophobicContact CG-CG1 4.28Å; I306-V308 HydrophobicContact CG2-CG2 4.36Å |
| 307 | N | 98.4 | Very high | 96.3 | Very high | 52 Ų | 52 | 54.4 Ų | 54.4 | 28% | 0.278 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 130.5 | 170.7 | -68.4 | -8.4 | 0 | 0 | 0 | 108.2 | L256 E257 N259 | L256-N307 WeakPolarHBondContact CA-O 3.4Å; E257-N307 HydrophobicContact CB-CB 4.17Å; E257-N307 PolarHBondContact N-O 3.07Å; E257-N307 PolarHBondContact O-N 3.34Å; N259-N307 PolarHBondContact ND2-ND2 3.36Å |
| 308 | V | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 111.6 | -176 | -172.1 | 0 | 0 | 0 | 0 | 108.1 | D193 I194 F196 L222 R255 L256 I306 | D193-V308 WeakPolarHBondContact CA-O 3.47Å; I194-V308 HydrophobicContact CG1-CB 3.98Å; I194-V308 PolarHBondContact N-O 3.21Å; I194-V308 PolarHBondContact O-N 3.07Å; F196-V308 HydrophobicContact CB-CG2 3.84Å; L222-V308 HydrophobicContact CD1-CG1 4.25Å; L222-V308 HydrophobicContact CD1-CG2 4.22Å; L222-V308 HydrophobicContact CD2-CB 4.22Å; L222-V308 HydrophobicContact CD2-CG1 3.44Å; L222-V308 VanDerWaalsContact CD2-CG1 3.44Å; L222-V308 HydrophobicContact CD2-CG2 3.8Å; L222-V308 HydrophobicContact CG-CG1 4.41Å; R255-V308 WeakPolarHBondContact O-CA 3.49Å; L256-V308 HydrophobicContact CD2-CB 4.35Å; L256-V308 HydrophobicContact CD2-CG1 4Å; L256-V308 HydrophobicContact CD2-CG2 3.85Å; I306-V308 HydrophobicContact CG2-CG2 4.36Å |
| 309 | T | 98.6 | Very high | 96.3 | Very high | 25 Ų | 25 | 54.1 Ų | 54.1 | 15% | 0.153 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.9 | 174.2 | -44.2 | 0 | 0 | 0 | 0 | 109.3 | E192 D193 Y254 R255 | E192-T309 CarbonylContact O-C 3.53Å; E192-T309 VanDerWaalsContact O-CA 3.29Å; E192-T309 WeakPolarHBondContact O-CA 3.41Å; D193-T309 HydrophobicContact CB-CG2 4.43Å; D193-T309 PolarHBondContact OD1-OG1 3.26Å; Y254-T309 CarbonylContact C-O 3.53Å; Y254-T309 VanDerWaalsContact CA-O 3.28Å; Y254-T309 WeakPolarHBondContact CA-O 3.44Å; R255-T309 PolarHBondContact N-O 3.39Å; R255-T309 PolarHBondContact O-N 3.26Å |
| 310 | I | 98.6 | Very high | 96.3 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 134 | 172.1 | -59.9 | -176.6 | 0 | 0 | 0 | 108.3 | E192 Q213 F216 F220 F252 A253 | E192-I310 PolarHBondContact O-N 3.01Å; Q213-I310 HydrophobicContact CG-CD1 4.21Å; F216-I310 HydrophobicContact CD2-CG2 4.25Å; F216-I310 HydrophobicContact CE2-CB 4.5Å; F216-I310 HydrophobicContact CE2-CG2 4.08Å; F216-I310 WeakPolarHBondContact CE2-O 3.47Å; F220-I310 HydrophobicContact CB-CD1 3.6Å; F220-I310 HydrophobicContact CD1-CD1 3.76Å; F220-I310 HydrophobicContact CD2-CD1 3.41Å; F220-I310 VanDerWaalsContact CD2-CD1 3.41Å; F220-I310 HydrophobicContact CE1-CD1 4.23Å; F220-I310 HydrophobicContact CE1-CG2 4.14Å; F220-I310 HydrophobicContact CE2-CD1 3.94Å; F220-I310 HydrophobicContact CE2-CG2 4.03Å; F220-I310 HydrophobicContact CG-CD1 3.3Å; F220-I310 HydrophobicContact CZ-CD1 4.32Å; F220-I310 HydrophobicContact CZ-CG2 3.8Å; F252-I310 HydrophobicContact CD1-CG2 4.23Å; A253-I310 WeakPolarHBondContact O-CA 3.17Å |
| 311 | S | 98.1 | Very high | 96.5 | Very high | 57 Ų | 57 | 48.9 Ų | 48.9 | 40% | 0.399 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 150.4 | 178.9 | 54.8 | 0 | 0 | 0 | 0 | 110.9 | F252 A253 | F252-S311 CarbonylContact C-O 3.58Å; F252-S311 VanDerWaalsContact CA-O 3.31Å; F252-S311 WeakPolarHBondContact CA-O 3.33Å; A253-S311 PolarHBondContact N-O 2.98Å; A253-S311 PolarHBondContact O-N 3.28Å |
| 312 | M | 96.9 | Very high | 96.8 | Very high | 126 Ų | 126 | 39.9 Ų | 39.9 | 62% | 0.621 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 144.7 | 167.7 | -63.7 | -179.7 | -65.7 | 0 | 0 | 110 | F216 N251 F252 | F216-M312 HydrophobicContact CD1-CE 3.93Å; F216-M312 HydrophobicContact CD1-CG 4.07Å; F216-M312 HydrophobicContact CD1-SD 3.89Å; F216-M312 HydrophobicContact CE1-CE 3.85Å; F216-M312 HydrophobicContact CE1-CG 4.22Å; F216-M312 HydrophobicContact CE1-SD 4.31Å; F216-M312 HydrophobicContact CG-CG 4.24Å; F216-M312 HydrophobicContact CG-SD 4.4Å; N251-M312 VanDerWaalsContact O-CA 3.31Å; N251-M312 WeakPolarHBondContact O-CA 3.47Å; F252-M312 HydrophobicContact CD1-CG 4.01Å; F252-M312 HydrophobicContact CE1-CG 3.65Å |
| 313 | C | 91.9 | Very high | 97.3 | Very high | 127 Ų | 127 | 41.9 Ų | 41.9 | 86% | 0.858 | 26% | 0.257 | S | S | * | . | trans | -132 | 0 | 177.7 | 59.6 | 0 | 0 | 0 | 0 | 112.7 | N251 F252 | N251-C313 VanDerWaalsContact C-SG 3.5Å; N251-C313 PolarHBondContact O-N 3.25Å; F252-C313 VanDerWaalsContact C-SG 3.57Å |
Retrieved 313 of 313 residues in 53.4 ms
(Link to these results)