| 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 | 42.1 | Very low | 48.4 | Very low | 242 Ų | 242 | 148.5 Ų | 148.5 | 100% | 1.192 | 86% | 0.858 | S | S | * | * | 0 | 143.5 | 0 | -69.8 | 166.9 | 82.3 | 0 | 0 | 107.7 | |||||
| 2 | S | 44.4 | Very low | 48.8 | Very low | 121 Ų | 121 | 145.8 Ų | 145.8 | 85% | 0.846 | 85% | 0.854 | S | S | * | * | trans | 78.9 | 129.1 | -177.4 | -139.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 3 | V | 51.5 | Low | 49.4 | Very low | 130 Ų | 130 | 149.9 Ų | 149.9 | 79% | 0.788 | 86% | 0.855 | S | S | * | * | cis | -179 | 138.3 | -35.9 | 146.7 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 4 | F | 50.3 | Low | 50 | Low | 197 Ų | 197 | 146.9 Ų | 146.9 | 86% | 0.864 | 85% | 0.847 | S | S | * | * | trans | -48.5 | 146.8 | 174 | -89.6 | -110.7 | 0 | 0 | 0 | 114.3 | ||||
| 5 | K | 54.8 | Low | 50.7 | Low | 208 Ų | 208 | 152.3 Ų | 152.3 | 90% | 0.904 | 85% | 0.848 | S | S | * | * | trans | -162.5 | 111.2 | 144.1 | -100.4 | 162.7 | -175.9 | -174 | 0 | 106 | ||||
| 6 | G | 41.8 | Very low | 50.9 | Low | 68 Ų | 68 | 153 Ų | 153 | 70% | 0.701 | 85% | 0.848 | S | S | * | * | 98.1 | 91.4 | 62 | 0 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 7 | A | 46.3 | Very low | 51.3 | Low | 100 Ų | 100 | 151.8 Ų | 151.8 | 83% | 0.826 | 84% | 0.838 | S | S | * | * | 79.4 | 118.8 | 89.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 8 | M | 49.2 | Very low | 51 | Low | 185 Ų | 185 | 149.8 Ų | 149.8 | 91% | 0.911 | 84% | 0.836 | S | S | * | * | trans | 36.7 | 162.2 | 142 | -83 | -154.3 | -153.6 | 0 | 0 | 122.3 | ||||
| 9 | I | 50.9 | Low | 51.1 | Low | 154 Ų | 154 | 149.9 Ų | 149.9 | 79% | 0.79 | 83% | 0.834 | S | S | * | * | trans | 113.2 | 120.7 | 163.5 | -61.6 | 163.4 | 0 | 0 | 0 | 109.7 | ||||
| 10 | T | 51.3 | Low | 51.1 | Low | 129 Ų | 129 | 147 Ų | 147 | 79% | 0.791 | 83% | 0.83 | S | S | * | * | cis | -166.5 | 151.8 | 11.5 | 12.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 11 | A | 49.7 | Very low | 50.9 | Low | 99 Ų | 99 | 151.4 Ų | 151.4 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | trans | -60.2 | 137.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 12 | S | 53.6 | Low | 51.2 | Low | 116 Ų | 116 | 144.4 Ų | 144.4 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | trans | -115.7 | 111.7 | 161.8 | -167.1 | 0 | 0 | 0 | 0 | 109.1 | S14 | S12-S14 PolarHBondContact O-N 2.73Š| ||
| 13 | K | 56.4 | Low | 51.5 | Low | 200 Ų | 200 | 143.6 Ų | 143.6 | 87% | 0.87 | 81% | 0.808 | S | S | * | * | trans | -91.8 | 96.5 | -173.7 | -162.7 | 173.2 | -173.7 | 177.5 | 0 | 107.9 | R15 | K13-R15 PolarHBondContact O-N 3.17Š| ||
| 14 | S | 57.4 | Low | 51.6 | Low | 107 Ų | 107 | 143.8 Ų | 143.8 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | -73.4 | 118.4 | 178.3 | -56.5 | 0 | 0 | 0 | 0 | 110.2 | S12 I16 | S12-S14 PolarHBondContact O-N 2.73Å; S14-I16 PolarHBondContact O-N 3.08Å | ||
| 15 | R | 61 | Low | 51.8 | Low | 229 Ų | 229 | 142.9 Ų | 142.9 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | trans | -69.1 | 118.8 | -178.7 | -66.3 | 177.2 | 179.3 | -178.2 | -1.2 | 110 | K13 I17 | K13-R15 PolarHBondContact O-N 3.17Å; R15-I17 HydrophobicContact CB-CG1 4.43Å; R15-I17 PolarHBondContact O-N 3.05Å | ||
| 16 | I | 53.9 | Low | 51.9 | Low | 163 Ų | 163 | 140 Ų | 140 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | -79.7 | 111.6 | 166.9 | -61.2 | 172.5 | 0 | 0 | 0 | 107 | S14 | S14-I16 PolarHBondContact O-N 3.08Š| ||
| 17 | I | 57.5 | Low | 52.4 | Low | 133 Ų | 133 | 143.5 Ų | 143.5 | 68% | 0.682 | 81% | 0.809 | S | S | * | * | trans | -117.9 | 93.4 | 168.9 | -51.4 | 172.8 | 0 | 0 | 0 | 105.6 | R15 L19 | R15-I17 HydrophobicContact CB-CG1 4.43Å; R15-I17 PolarHBondContact O-N 3.05Å; I17-L19 HydrophobicContact CG2-CD1 4.01Å | ||
| 18 | S | 45 | Very low | 52.7 | Low | 116 Ų | 116 | 146.6 Ų | 146.6 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | -109 | 94.8 | 167.8 | -172.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 19 | L | 53.1 | Low | 52.8 | Low | 152 Ų | 152 | 144.7 Ų | 144.7 | 80% | 0.796 | 81% | 0.805 | S | S | * | * | trans | -81.8 | 139.9 | 171.2 | -101.5 | 142.1 | 0 | 0 | 0 | 109.6 | I17 | I17-L19 HydrophobicContact CG2-CD1 4.01Š| ||
| 20 | A | 50.8 | Low | 52.7 | Low | 90 Ų | 90 | 140.8 Ų | 140.8 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | trans | -44.4 | 147.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 21 | R | 47 | Very low | 52.3 | Low | 241 Ų | 241 | 139.9 Ų | 139.9 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | -126.6 | 96.8 | 147.5 | -87 | -174.3 | 155.9 | 91.9 | -2 | 109.1 | ||||
| 22 | A | 48.4 | Very low | 52 | Low | 94 Ų | 94 | 145.9 Ų | 145.9 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | trans | -65.4 | 134.4 | 153.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 23 | S | 50.9 | Low | 51.2 | Low | 105 Ų | 105 | 149.6 Ų | 149.6 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -153.4 | 90.9 | 163.2 | -74.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 24 | T | 54.3 | Low | 50.8 | Low | 134 Ų | 134 | 148 Ų | 148 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | 15.1 | 106.3 | 139.1 | 44.1 | 0 | 0 | 0 | 0 | 117.3 | L26 | T24-L26 PolarHBondContact O-N 3.45Š| ||
| 25 | L | 53.6 | Low | 50.3 | Low | 177 Ų | 177 | 150.3 Ų | 150.3 | 93% | 0.927 | 80% | 0.802 | S | S | * | * | trans | -71.5 | 107.3 | 155.8 | -77.9 | 170.4 | 0 | 0 | 0 | 109.7 | ||||
| 26 | L | 58.4 | Low | 49.2 | Very low | 147 Ų | 147 | 149 Ų | 149 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | -146.1 | 118.3 | 157.1 | -83.7 | 173.6 | 0 | 0 | 0 | 107.8 | T24 | T24-L26 PolarHBondContact O-N 3.45Š| ||
| 27 | N | 51.4 | Low | 48.5 | Very low | 142 Ų | 142 | 152.8 Ų | 152.8 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | 164.3 | 98 | 126.5 | -78.6 | -19.1 | 0 | 0 | 0 | 109.6 | |||||
| 28 | N | 51.7 | Low | 47.7 | Very low | 166 Ų | 166 | 154.3 Ų | 154.3 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | trans | -101.8 | 86.4 | 164.1 | -158.8 | -1.3 | 0 | 0 | 0 | 107.3 | G30 | N28-G30 PolarHBondContact O-N 3.34Š| ||
| 29 | L | 51.5 | Low | 47.8 | Very low | 145 Ų | 145 | 154.5 Ų | 154.5 | 76% | 0.759 | 81% | 0.809 | S | S | * | * | trans | -90.1 | 86.7 | 170.8 | -84.1 | 162.2 | 0 | 0 | 0 | 107.7 | V31 | L29-V31 PolarHBondContact O-N 3.09Š| ||
| 30 | G | 49.5 | Very low | 47.7 | Very low | 72 Ų | 72 | 156.7 Ų | 156.7 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | -71 | 101.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | N28 | N28-G30 PolarHBondContact O-N 3.34Š| ||
| 31 | V | 42.3 | Very low | 47.4 | Very low | 109 Ų | 109 | 157.5 Ų | 157.5 | 66% | 0.661 | 82% | 0.815 | S | S | * | * | trans | -143.8 | 125.7 | 167.5 | -153.2 | 0 | 0 | 0 | 0 | 110.4 | L29 | L29-V31 PolarHBondContact O-N 3.09Š| ||
| 32 | R | 44.1 | Very low | 47.4 | Very low | 225 Ų | 225 | 151.5 Ų | 151.5 | 85% | 0.849 | 81% | 0.81 | S | S | * | * | trans | 80.8 | 116.1 | 155.7 | -38.2 | -171.4 | 97.1 | 167 | 1.8 | 118.3 | ||||
| 33 | Q | 37.6 | Very low | 47.8 | Very low | 195 Ų | 195 | 155.7 Ų | 155.7 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | -148.9 | 100.6 | 118.4 | -121.7 | 168.6 | 15.7 | 0 | 0 | 110 | |||||
| 34 | E | 46.6 | Very low | 47.7 | Very low | 165 Ų | 165 | 156.1 Ų | 156.1 | 77% | 0.771 | 81% | 0.814 | S | S | * | * | trans | -93.4 | 115.6 | 166.9 | -139.3 | 172.1 | 143.4 | 0 | 0 | 107.1 | Y36 | E34-Y36 HydrophobicContact CG-CE2 4.31Š| ||
| 35 | L | 47 | Very low | 47.3 | Very low | 157 Ų | 157 | 155.9 Ų | 155.9 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | -72.9 | 122.2 | 179.3 | -85.3 | 152.2 | 0 | 0 | 0 | 111 | ||||
| 36 | Y | 39.1 | Very low | 46.9 | Very low | 202 Ų | 202 | 157 Ų | 157 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | trans | -143.9 | 96.3 | 158.5 | -79.1 | -76.1 | 0 | 0 | 0 | 112.8 | E34 | E34-Y36 HydrophobicContact CG-CE2 4.31Š| ||
| 37 | R | 39.7 | Very low | 46.6 | Very low | 241 Ų | 241 | 158.2 Ų | 158.2 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | 25.1 | 117.1 | 131.8 | -133.4 | 175.2 | -159.6 | 150.9 | 2.8 | 118.8 | ||||
| 38 | L | 39.7 | Very low | 46.4 | Very low | 165 Ų | 165 | 156.2 Ų | 156.2 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 146.9 | 160.4 | -72.1 | 172.6 | 0 | 0 | 0 | 111 | ||
| 39 | P | 47.9 | Very low | 46.1 | Very low | 121 Ų | 121 | 151.9 Ų | 151.9 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 141.2 | -179.8 | 33 | -32.4 | 0 | 0 | 0 | 112.4 | S41 | P39-S41 PolarHBondContact O-N 2.8Š|
| 40 | E | 50.1 | Low | 46.2 | Very low | 197 Ų | 197 | 153.8 Ų | 153.8 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 116.9 | 170.6 | -74.6 | 177.8 | 118.7 | 0 | 0 | 110.3 | ||
| 41 | S | 44.6 | Very low | 46.3 | Very low | 107 Ų | 107 | 160.9 Ų | 160.9 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | -97.1 | 106.5 | 163.4 | 70.7 | 0 | 0 | 0 | 0 | 109.5 | P39 | P39-S41 PolarHBondContact O-N 2.8Š| ||
| 42 | S | 48.1 | Very low | 46.7 | Very low | 115 Ų | 115 | 161.4 Ų | 161.4 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -58.8 | 135.7 | 167.1 | 37.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 43 | Q | 55.3 | Low | 46.7 | Very low | 182 Ų | 182 | 159.5 Ų | 159.5 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | trans | -132 | 127.1 | 164.7 | -69.8 | -170.5 | -9.4 | 0 | 0 | 109.5 | ||||
| 44 | P | 50.1 | Low | 47.4 | Very low | 114 Ų | 114 | 155.3 Ų | 155.3 | 74% | 0.74 | 81% | 0.811 | S | S | * | * | trans | -102.9 | 134.9 | 168.1 | 34.4 | -25.7 | 0 | 0 | 0 | 113 | ||||
| 45 | L | 45.2 | Very low | 47.5 | Very low | 129 Ų | 129 | 155.4 Ų | 155.4 | 68% | 0.675 | 82% | 0.817 | S | S | * | * | 59.7 | 118.8 | 125.3 | -57.3 | -166.9 | 0 | 0 | 0 | 122.8 | |||||
| 46 | Y | 46.2 | Very low | 47.8 | Very low | 200 Ų | 200 | 152.6 Ų | 152.6 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | trans | 47.2 | 128.1 | 139.2 | -44.1 | -60.7 | 0 | 0 | 0 | 120.2 | ||||
| 47 | I | 50.6 | Low | 48.4 | Very low | 173 Ų | 173 | 147.3 Ų | 147.3 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | -155.4 | 135.1 | 126.6 | -100.4 | 151.6 | 0 | 0 | 0 | 110 | |||||
| 48 | A | 46.7 | Very low | 49 | Very low | 101 Ų | 101 | 143.6 Ų | 143.6 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -69.4 | 152.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 49 | G | 46.3 | Very low | 49.6 | Very low | 75 Ų | 75 | 146.4 Ų | 146.4 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | 177.6 | 82.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 50 | Q | 53.4 | Low | 49.9 | Very low | 184 Ų | 184 | 148.4 Ų | 148.4 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -49.9 | 144.2 | 170.8 | -62.7 | 167.6 | 3.3 | 0 | 0 | 112.1 | ||||
| 51 | R | 51.3 | Low | 50 | Low | 221 Ų | 221 | 146.8 Ų | 146.8 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | -159.3 | 113.4 | 133.3 | -104.8 | 162 | -162.4 | 179 | 5.5 | 110.1 | F53 | R51-F53 HydrophobicContact CB-CD2 4.49Å; R51-F53 HydrophobicContact CB-CE2 4.13Å | ||
| 52 | C | 51.2 | Low | 50.1 | Low | 121 Ų | 121 | 146.8 Ų | 146.8 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -64.3 | 127.4 | 163.9 | -58.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 53 | F | 44.2 | Very low | 50.2 | Low | 184 Ų | 184 | 145.2 Ų | 145.2 | 81% | 0.807 | 80% | 0.8 | S | S | * | * | trans | -120.4 | 105.1 | 155.8 | -78 | -77.8 | 0 | 0 | 0 | 108 | R51 | R51-F53 HydrophobicContact CB-CD2 4.49Å; R51-F53 HydrophobicContact CB-CE2 4.13Å | ||
| 54 | S | 51.8 | Low | 49.5 | Very low | 107 Ų | 107 | 142.2 Ų | 142.2 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -53.5 | 134.4 | 161.8 | -33 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 55 | N | 48.3 | Very low | 49.7 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | -155 | 137.4 | 126.9 | -111.2 | 15.4 | 0 | 0 | 0 | 111.6 | |||||
| 56 | A | 54 | Low | 49.4 | Very low | 98 Ų | 98 | 142 Ų | 142 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -69.6 | 171.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 57 | S | 51.9 | Low | 50.1 | Low | 91 Ų | 91 | 137.2 Ų | 137.2 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | trans | 104.7 | 94.2 | 156.1 | -173.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 58 | I | 53.2 | Low | 50.3 | Low | 163 Ų | 163 | 134 Ų | 134 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -151.1 | 92.5 | 140.2 | -57.5 | -65.9 | 0 | 0 | 0 | 106.2 | ||||
| 59 | R | 50.5 | Low | 51 | Low | 223 Ų | 223 | 136.2 Ų | 136.2 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | 39 | 114.1 | 100.2 | -77.1 | -172.7 | -177.2 | -170 | 0.8 | 115.3 | |||||
| 60 | N | 54.1 | Low | 52.4 | Low | 164 Ų | 164 | 136.2 Ų | 136.2 | 88% | 0.877 | 76% | 0.757 | S | S | * | * | trans | -16.3 | 132.7 | 161.1 | -63 | -10.6 | 0 | 0 | 0 | 116.3 | ||||
| 61 | K | 53.2 | Low | 54.1 | Low | 163 Ų | 163 | 133.2 Ų | 133.2 | 71% | 0.709 | 74% | 0.741 | S | S | * | * | trans | -127 | 96.3 | 151.6 | -119.3 | -166.7 | -176.9 | -151 | 0 | 109.4 | E64 | K61-E64 HydrophobicContact CD-CG 4.29Å; K61-E64 IonicContact NZ-OE2 2.73Å; K61-E64 PolarHBondContact NZ-OE2 2.82Å | ||
| 62 | S | 47.2 | Very low | 56 | Low | 106 Ų | 106 | 122.9 Ų | 122.9 | 74% | 0.741 | 70% | 0.703 | S | S | * | * | trans | -67.4 | 129.1 | 162.1 | 43.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 63 | G | 50.2 | Low | 58 | Low | 82 Ų | 82 | 120.9 Ų | 120.9 | 85% | 0.845 | 68% | 0.681 | S | S | * | * | trans | 34.5 | 88.4 | 158.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 64 | E | 39.6 | Very low | 60.4 | Low | 119 Ų | 119 | 112.7 Ų | 112.7 | 56% | 0.556 | 65% | 0.646 | S | S | * | * | trans | -124.9 | 135.4 | 167.4 | -65.9 | -117.2 | 129.6 | 0 | 0 | 108.2 | K61 S66 | K61-E64 HydrophobicContact CD-CG 4.29Å; K61-E64 IonicContact NZ-OE2 2.73Å; K61-E64 PolarHBondContact NZ-OE2 2.82Å; E64-S66 PolarHBondContact O-N 2.93Å | ||
| 65 | P | 54.6 | Low | 62.5 | Low | 122 Ų | 122 | 109.1 Ų | 109.1 | 79% | 0.792 | 62% | 0.619 | S | S | * | * | trans | -60.2 | 125.1 | 170.9 | 25.9 | -29.2 | 0 | 0 | 0 | 107.5 | ||||
| 66 | S | 39.4 | Very low | 64.8 | Low | 116 Ų | 116 | 110.1 Ų | 110.1 | 81% | 0.811 | 62% | 0.616 | S | S | * | * | trans | -43.9 | 117.5 | -174.1 | 48.8 | 0 | 0 | 0 | 0 | 112.4 | E64 | E64-S66 PolarHBondContact O-N 2.93Š| ||
| 67 | P | 60.4 | Low | 66.8 | Low | 100 Ų | 100 | 108.7 Ų | 108.7 | 65% | 0.649 | 60% | 0.6 | S | S | * | * | trans | -103.3 | 106.4 | -170.2 | 35 | -26.3 | 0 | 0 | 0 | 111 | ||||
| 68 | S | 54.7 | Low | 68.9 | Low | 105 Ų | 105 | 104.3 Ų | 104.3 | 73% | 0.734 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -176.5 | -16.7 | 147.7 | 42.8 | 0 | 0 | 0 | 0 | 116.6 | ||
| 69 | E | 60.6 | Low | 70.9 | Confident | 148 Ų | 148 | 97.6 Ų | 97.6 | 69% | 0.692 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -101.5 | -31.8 | -165.9 | -58.4 | -165 | 169.4 | 0 | 0 | 115 | K71 | E69-K71 PolarHBondContact O-N 3.22Š|
| 70 | D | 77.5 | Confident | 73 | Confident | 76 Ų | 76 | 93.3 Ų | 93.3 | 41% | 0.406 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -96.5 | 33.5 | -175.8 | -64 | -16.9 | 0 | 0 | 0 | 113.9 | R119 F121 | D70-R119 IonicContact OD2-NH1 3.3Å; D70-R119 PolarHBondContact OD2-NH1 3.26Å; D70-R119 VanDerWaalsContact OD2-NH1 3.09Å; D70-F121 WeakPolarHBondContact O-CE1 3.27Å; D70-F121 WeakPolarHBondContact O-CZ 3.41Å |
| 71 | K | 87.3 | Confident | 75 | Confident | 120 Ų | 120 | 89.1 Ų | 89.1 | 52% | 0.522 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -102 | 130.2 | -173.9 | -165.7 | 167.2 | -175.8 | 176.6 | 0 | 112.3 | E69 G140 | E69-K71 PolarHBondContact O-N 3.22Å; K71-G140 WeakPolarHBondContact O-CA 3.3Å; K71-G140 PolarHBondContact O-N 2.91Å |
| 72 | V | 91.9 | Very high | 77 | Confident | 5 Ų | 5 | 81.4 Ų | 81.4 | 3% | 0.03 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -102.1 | 134.2 | 165.7 | -177.8 | 0 | 0 | 0 | 0 | 108.9 | F121 V130 V138 V143 | V72-F121 HydrophobicContact CB-CD2 4.27Å; V72-F121 HydrophobicContact CB-CE2 4.35Å; V72-F121 HydrophobicContact CB-CG 4.41Å; V72-F121 HydrophobicContact CG2-CD2 4.3Å; V72-F121 HydrophobicContact CG2-CE2 3.92Å; V72-F121 HydrophobicContact CG2-CZ 4.13Å; V72-V130 HydrophobicContact CG2-CG2 4.45Å; V72-V138 HydrophobicContact CG2-CG2 4.06Å; V72-V143 HydrophobicContact CG1-CG2 3.65Å |
| 73 | H | 93.9 | Very high | 79.2 | Confident | 78 Ų | 78 | 80 Ų | 80 | 36% | 0.361 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 141.6 | -179.9 | -63.9 | -76.2 | 0 | 0 | 0 | 110.9 | S141 T142 V143 | H73-S141 PolarHBondContact N-O 3.42Å; H73-T142 HydrophobicContact CB-CG2 4.2Å; H73-T142 CarbonylContact O-C 3.56Å; H73-T142 VanDerWaalsContact O-CA 3.29Å; H73-T142 WeakPolarHBondContact O-CA 3.42Å; H73-V143 PolarHBondContact O-N 3.4Å |
| 74 | L | 94.7 | Very high | 81.3 | Confident | 12 Ų | 12 | 81.2 Ų | 81.2 | 6% | 0.063 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 137.9 | 170.1 | -67.4 | 119.4 | 0 | 0 | 0 | 112.1 | C78 V79 L82 Q123 I128 | L74-C78 HydrophobicContact CD2-CB 4.34Å; L74-V79 HydrophobicContact CB-CG2 3.79Å; L74-V79 HydrophobicContact CD2-CG2 4.32Å; L74-L82 HydrophobicContact CD2-CD1 4Å; L74-Q123 HydrophobicContact CD1-CB 3.55Å; L74-Q123 HydrophobicContact CD1-CG 4.47Å; L74-Q123 VanDerWaalsContact N-OE1 3.11Å; L74-Q123 PolarHBondContact O-NE2 3.18Å; L74-Q123 VanDerWaalsContact O-NE2 3.08Å; L74-I128 HydrophobicContact CD1-CD1 4.25Å; L74-I128 HydrophobicContact CD1-CG1 4.42Å; L74-I128 HydrophobicContact CD2-CD1 3.2Å; L74-I128 HydrophobicContact CD2-CG1 3.89Å; L74-I128 HydrophobicContact CG-CD1 3.95Å |
| 75 | T | 96 | Very high | 83.8 | Confident | 32 Ų | 32 | 78.9 Ų | 78.9 | 20% | 0.196 | 43% | 0.426 | C | S | . | . | trans | -74.5 | 159.1 | 167.4 | 70.6 | 0 | 0 | 0 | 0 | 111.5 | S77 C78 V79 T142 V143 D144 | T75-S77 VanDerWaalsContact C-N 3.26Å; T75-S77 PolarHBondContact O-N 2.76Å; T75-C78 PolarHBondContact O-N 3.03Å; T75-C78 WeakPolarHBondContact OG1-CB 3.33Å; T75-C78 PolarHBondContact OG1-N 2.94Å; T75-V79 WeakPolarHBondContact O-CG2 3.25Å; T75-V79 PolarHBondContact O-N 3.5Å; T75-V79 VanDerWaalsContact O-N 3.07Å; T75-T142 HydrophobicContact CG2-CG2 3.64Å; T75-V143 PolarHBondContact N-O 3.29Å; T75-D144 VanDerWaalsContact CB-OD1 3.31Å; T75-D144 WeakPolarHBondContact CB-OD1 3.43Å; T75-D144 HydrophobicContact CG2-CB 3.7Å; T75-D144 WeakPolarHBondContact CG2-OD1 3.11Å; T75-D144 PolarHBondContact OG1-OD1 3.37Å | ||
| 76 | K | 95.5 | Very high | 85.6 | Confident | 190 Ų | 190 | 74.4 Ų | 74.4 | 83% | 0.826 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -59.9 | -37.8 | 175.3 | -63.1 | -179.3 | -178.2 | 178.8 | 0 | 112 | V79 K80 | K76-V79 PolarHBondContact O-N 3.35Å; K76-K80 WeakPolarHBondContact O-CB 3.29Å; K76-K80 PolarHBondContact O-N 3.5Å |
| 77 | S | 96 | Very high | 88 | Confident | 67 Ų | 67 | 75 Ų | 75 | 47% | 0.469 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 178.2 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | T75 K80 R81 | T75-S77 VanDerWaalsContact C-N 3.26Å; T75-S77 PolarHBondContact O-N 2.76Å; S77-K80 PolarHBondContact O-N 3.37Å; S77-R81 WeakPolarHBondContact O-CB 3.48Å; S77-R81 PolarHBondContact O-N 3.07Å |
| 78 | C | 95.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.3 | -51.9 | 175.9 | -173 | 0 | 0 | 0 | 0 | 111.3 | L74 T75 K80 R81 L82 F145 | L74-C78 HydrophobicContact CD2-CB 4.34Å; T75-C78 PolarHBondContact O-N 3.03Å; T75-C78 WeakPolarHBondContact OG1-CB 3.33Å; T75-C78 PolarHBondContact OG1-N 2.94Å; C78-K80 VanDerWaalsContact C-N 3.32Å; C78-K80 PolarHBondContact O-N 2.79Å; C78-R81 PolarHBondContact O-N 3.26Å; C78-R81 VanDerWaalsContact O-N 3.15Å; C78-L82 WeakPolarHBondContact O-CB 3.3Å; C78-L82 VanDerWaalsContact O-CG 3.3Å; C78-L82 WeakPolarHBondContact O-CG 3.45Å; C78-L82 PolarHBondContact O-N 3.36Å; C78-F145 HydrophobicContact CB-CB 4.29Å |
| 79 | V | 95.7 | Very high | 90.6 | Very high | 21 Ų | 21 | 77.6 Ų | 77.6 | 13% | 0.127 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56.6 | -46.5 | 178.1 | 172.7 | 0 | 0 | 0 | 0 | 111.4 | L74 T75 K76 R81 L82 S83 V126 | L74-V79 HydrophobicContact CB-CG2 3.79Å; L74-V79 HydrophobicContact CD2-CG2 4.32Å; T75-V79 WeakPolarHBondContact O-CG2 3.25Å; T75-V79 PolarHBondContact O-N 3.5Å; T75-V79 VanDerWaalsContact O-N 3.07Å; K76-V79 PolarHBondContact O-N 3.35Å; V79-R81 PolarHBondContact O-N 3.37Å; V79-L82 PolarHBondContact O-N 3.15Å; V79-S83 WeakPolarHBondContact O-CB 3.49Å; V79-S83 PolarHBondContact O-N 3.25Å; V79-S83 PolarHBondContact O-OG 3.27Å; V79-V126 HydrophobicContact CB-CG2 4.36Å; V79-V126 HydrophobicContact CG1-CG2 4.1Å; V79-V126 HydrophobicContact CG2-CG2 4.22Å |
| 80 | K | 95.6 | Very high | 92.2 | Very high | 134 Ų | 134 | 72.2 Ų | 72.2 | 58% | 0.583 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -58.2 | -49.5 | 177.4 | -175.5 | -174.7 | 176.4 | -167.5 | 0 | 110.9 | K76 S77 C78 L82 S83 E84 | K76-K80 WeakPolarHBondContact O-CB 3.29Å; K76-K80 PolarHBondContact O-N 3.5Å; S77-K80 PolarHBondContact O-N 3.37Å; C78-K80 VanDerWaalsContact C-N 3.32Å; C78-K80 PolarHBondContact O-N 2.79Å; K80-L82 PolarHBondContact O-N 3.22Å; K80-S83 PolarHBondContact O-N 2.66Å; K80-S83 PolarHBondContact O-OG 2.95Å; K80-E84 VanDerWaalsContact CE-OE1 3.25Å; K80-E84 WeakPolarHBondContact CE-OE1 3.48Å; K80-E84 WeakPolarHBondContact O-CG 3.33Å; K80-E84 PolarHBondContact O-N 3.41Å |
| 81 | R | 95.3 | Very high | 93 | Very high | 76 Ų | 76 | 70.6 Ų | 70.6 | 29% | 0.287 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | -178.4 | -170.5 | 68.2 | -176 | 133.7 | 4 | 112.1 | S77 C78 V79 S83 E84 I85 F145 | S77-R81 WeakPolarHBondContact O-CB 3.48Å; S77-R81 PolarHBondContact O-N 3.07Å; C78-R81 PolarHBondContact O-N 3.26Å; C78-R81 VanDerWaalsContact O-N 3.15Å; V79-R81 PolarHBondContact O-N 3.37Å; R81-S83 VanDerWaalsContact C-N 3.29Å; R81-S83 PolarHBondContact O-N 3.37Å; R81-E84 IonicContact CZ-OE2 3.9Å; R81-E84 IonicContact NH1-OE2 2.84Å; R81-E84 PolarHBondContact NH1-OE2 3.47Å; R81-E84 WeakPolarHBondContact O-CB 3.44Å; R81-E84 PolarHBondContact O-N 3.48Å; R81-E84 VanDerWaalsContact O-N 3.08Å; R81-I85 HydrophobicContact CG-CD1 4.49Å; R81-I85 HydrophobicContact CG-CG2 4.29Å; R81-I85 WeakPolarHBondContact O-CG1 3.22Å; R81-I85 PolarHBondContact O-N 2.87Å; R81-F145 HydrophobicContact CB-CB 4.43Å; R81-F145 HydrophobicContact CB-CD1 3.67Å; R81-F145 HydrophobicContact CB-CD2 4.43Å; R81-F145 HydrophobicContact CB-CE1 3.96Å; R81-F145 HydrophobicContact CB-CG 3.92Å; R81-F145 HydrophobicContact CB-CZ 4.46Å; R81-F145 HydrophobicContact CG-CD1 3.7Å; R81-F145 HydrophobicContact CG-CD2 4.04Å; R81-F145 HydrophobicContact CG-CE1 3.49Å; R81-F145 VanDerWaalsContact CG-CE1 3.49Å; R81-F145 HydrophobicContact CG-CE2 3.85Å; R81-F145 HydrophobicContact CG-CG 3.96Å; R81-F145 HydrophobicContact CG-CZ 3.57Å |
| 82 | L | 94.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.4 | -40.8 | 176.6 | -69.9 | 174.5 | 0 | 0 | 0 | 111.2 | L74 C78 V79 K80 E84 I85 M86 L92 V126 I128 F154 | L74-L82 HydrophobicContact CD2-CD1 4Å; C78-L82 WeakPolarHBondContact O-CB 3.3Å; C78-L82 VanDerWaalsContact O-CG 3.3Å; C78-L82 WeakPolarHBondContact O-CG 3.45Å; C78-L82 PolarHBondContact O-N 3.36Å; V79-L82 PolarHBondContact O-N 3.15Å; K80-L82 PolarHBondContact O-N 3.22Å; L82-E84 PolarHBondContact O-N 3.39Å; L82-I85 HydrophobicContact CD2-CD1 4.25Å; L82-I85 PolarHBondContact O-N 3.08Å; L82-M86 HydrophobicContact CB-CG 4.47Å; L82-M86 HydrophobicContact CB-SD 3.65Å; L82-M86 HydrophobicContact CD1-SD 4.45Å; L82-M86 HydrophobicContact CD2-CG 4.24Å; L82-M86 HydrophobicContact CD2-SD 3.37Å; L82-M86 WeakPolarHBondContact CD2-SD 3.38Å; L82-M86 HydrophobicContact CG-SD 3.97Å; L82-M86 WeakPolarHBondContact O-CB 3.39Å; L82-M86 VanDerWaalsContact O-CG 3.29Å; L82-M86 WeakPolarHBondContact O-CG 3.38Å; L82-M86 PolarHBondContact O-N 2.82Å; L82-L92 HydrophobicContact CD1-CD2 4.37Å; L82-L92 HydrophobicContact CD2-CB 4.14Å; L82-L92 HydrophobicContact CD2-CD1 4.49Å; L82-L92 HydrophobicContact CD2-CD2 3.99Å; L82-L92 HydrophobicContact CD2-CG 4.44Å; L82-V126 HydrophobicContact CB-CB 4.01Å; L82-V126 HydrophobicContact CB-CG1 3.79Å; L82-V126 HydrophobicContact CB-CG2 4.06Å; L82-V126 HydrophobicContact CD1-CG2 4.03Å; L82-I128 HydrophobicContact CD1-CD1 4.24Å; L82-I128 HydrophobicContact CD1-CG1 4.32Å; L82-F154 HydrophobicContact CD2-CE1 3.84Å; L82-F154 HydrophobicContact CD2-CZ 3.67Å; L82-F154 HydrophobicContact CG-CE1 4.18Å; L82-F154 HydrophobicContact CG-CZ 4.4Å |
| 83 | S | 93.8 | Very high | 93.5 | Very high | 75 Ų | 75 | 65.5 Ų | 65.5 | 52% | 0.524 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.2 | -21.4 | 176.3 | 69.4 | 0 | 0 | 0 | 0 | 114.2 | V79 K80 R81 | V79-S83 WeakPolarHBondContact O-CB 3.49Å; V79-S83 PolarHBondContact O-N 3.25Å; V79-S83 PolarHBondContact O-OG 3.27Å; K80-S83 PolarHBondContact O-N 2.66Å; K80-S83 PolarHBondContact O-OG 2.95Å; R81-S83 VanDerWaalsContact C-N 3.29Å; R81-S83 PolarHBondContact O-N 3.37Å |
| 84 | E | 93.6 | Very high | 93.6 | Very high | 108 Ų | 108 | 61.8 Ų | 61.8 | 51% | 0.505 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -88.3 | -34.1 | 177.2 | -69.8 | 170.5 | -174.9 | 0 | 0 | 112.9 | K80 R81 L82 | K80-E84 VanDerWaalsContact CE-OE1 3.25Å; K80-E84 WeakPolarHBondContact CE-OE1 3.48Å; K80-E84 WeakPolarHBondContact O-CG 3.33Å; K80-E84 PolarHBondContact O-N 3.41Å; R81-E84 IonicContact CZ-OE2 3.9Å; R81-E84 IonicContact NH1-OE2 2.84Å; R81-E84 PolarHBondContact NH1-OE2 3.47Å; R81-E84 WeakPolarHBondContact O-CB 3.44Å; R81-E84 PolarHBondContact O-N 3.48Å; R81-E84 VanDerWaalsContact O-N 3.08Å; L82-E84 PolarHBondContact O-N 3.39Å |
| 85 | I | 93.2 | Very high | 93.6 | Very high | 71 Ų | 71 | 63.4 Ų | 63.4 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -98.2 | -24.3 | -172.9 | 71.4 | -177.5 | 0 | 0 | 0 | 113.8 | R81 L82 F154 | R81-I85 HydrophobicContact CG-CD1 4.49Å; R81-I85 HydrophobicContact CG-CG2 4.29Å; R81-I85 WeakPolarHBondContact O-CG1 3.22Å; R81-I85 PolarHBondContact O-N 2.87Å; L82-I85 HydrophobicContact CD2-CD1 4.25Å; L82-I85 PolarHBondContact O-N 3.08Å; I85-F154 HydrophobicContact CD1-CE2 4.14Å; I85-F154 HydrophobicContact CD1-CZ 3.78Å |
| 86 | M | 92.4 | Very high | 93.6 | Very high | 28 Ų | 28 | 62.9 Ų | 62.9 | 14% | 0.138 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -96.9 | 142 | -172.9 | -60.2 | 174.9 | 66.7 | 0 | 0 | 111.7 | L82 E90 Y91 | L82-M86 HydrophobicContact CB-CG 4.47Å; L82-M86 HydrophobicContact CB-SD 3.65Å; L82-M86 HydrophobicContact CD1-SD 4.45Å; L82-M86 HydrophobicContact CD2-CG 4.24Å; L82-M86 HydrophobicContact CD2-SD 3.37Å; L82-M86 WeakPolarHBondContact CD2-SD 3.38Å; L82-M86 HydrophobicContact CG-SD 3.97Å; L82-M86 WeakPolarHBondContact O-CB 3.39Å; L82-M86 VanDerWaalsContact O-CG 3.29Å; L82-M86 WeakPolarHBondContact O-CG 3.38Å; L82-M86 PolarHBondContact O-N 2.82Å; M86-E90 HydrophobicContact CB-CB 4.41Å; M86-E90 HydrophobicContact CE-CB 3.98Å; M86-E90 WeakPolarHBondContact CE-O 3.31Å; M86-Y91 VanDerWaalsContact CE-C 3.43Å |
| 87 | E | 89.1 | Confident | 93.5 | Very high | 127 Ų | 127 | 57 Ų | 57 | 59% | 0.593 | 29% | 0.288 | S | S | * | . | P | Polyproline II helix | trans | -85.5 | 168.3 | 170.8 | -62.4 | -175.4 | 161.9 | 0 | 0 | 111.6 | G89 E90 R112 | E87-G89 PolarHBondContact O-N 2.96Å; E87-E90 HydrophobicContact CB-CG 4.38Å; E87-E90 PolarHBondContact N-OE2 2.9Å; E87-E90 PolarHBondContact O-N 3.36Å; E87-R112 IonicContact OE2-NH2 3.03Å; E87-R112 PolarHBondContact OE2-NH2 3.17Å |
| 88 | K | 85.4 | Confident | 93.4 | Very high | 218 Ų | 218 | 56.9 Ų | 56.9 | 95% | 0.948 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 126 | 176.3 | -66.7 | -176.9 | -179 | -179.6 | 0 | 110.1 | ||
| 89 | G | 85.5 | Confident | 93.2 | Very high | 43 Ų | 43 | 58.1 Ų | 58.1 | 44% | 0.443 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | 6.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | E87 Y91 | E87-G89 PolarHBondContact O-N 2.96Å; G89-Y91 WeakPolarHBondContact O-CE2 3.06Å |
| 90 | E | 93.8 | Very high | 92.8 | Very high | 34 Ų | 34 | 59.4 Ų | 59.4 | 16% | 0.159 | 33% | 0.327 | C | S | . | . | trans | -91.8 | 152.2 | 167.7 | -68.5 | -178 | 158.9 | 0 | 0 | 111.1 | M86 E87 V110 R112 | M86-E90 HydrophobicContact CB-CB 4.41Å; M86-E90 HydrophobicContact CE-CB 3.98Å; M86-E90 WeakPolarHBondContact CE-O 3.31Å; E87-E90 HydrophobicContact CB-CG 4.38Å; E87-E90 PolarHBondContact N-OE2 2.9Å; E87-E90 PolarHBondContact O-N 3.36Å; E90-V110 HydrophobicContact CB-CG1 3.99Å; E90-V110 HydrophobicContact CG-CG1 4.32Å; E90-R112 HydrophobicContact CG-CG 3.66Å; E90-R112 IonicContact OE1-CZ 2.75Å; E90-R112 VanDerWaalsContact OE1-CZ 3.3Å; E90-R112 IonicContact OE1-NE 2.97Å; E90-R112 PolarHBondContact OE1-NE 2.84Å; E90-R112 IonicContact OE1-NH2 2.97Å; E90-R112 PolarHBondContact OE1-NH2 2.87Å | ||
| 91 | Y | 94.1 | Very high | 92.4 | Very high | 43 Ų | 43 | 58.8 Ų | 58.8 | 17% | 0.169 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 142.6 | 178.7 | -60.7 | -87.4 | 0 | 0 | 0 | 110.1 | M86 G89 R93 V110 D111 K114 V120 G127 I129 | M86-Y91 VanDerWaalsContact CE-C 3.43Å; G89-Y91 WeakPolarHBondContact O-CE2 3.06Å; Y91-R93 PolarHBondContact O-N 3.45Å; Y91-V110 WeakPolarHBondContact O-CA 3.4Å; Y91-D111 PolarHBondContact N-O 2.94Å; Y91-D111 PolarHBondContact O-N 2.8Å; Y91-K114 HydrophobicContact CD2-CG 4.49Å; Y91-K114 VanDerWaalsContact CE1-NZ 3.27Å; Y91-K114 HydrophobicContact CE2-CD 4.34Å; Y91-K114 VanDerWaalsContact CE2-CE 3.49Å; Y91-K114 HydrophobicContact CE2-CG 4.48Å; Y91-K114 WeakPolarHBondContact OH-CE 3.34Å; Y91-K114 PolarHBondContact OH-NZ 2.56Å; Y91-V120 HydrophobicContact CD1-CG1 4.49Å; Y91-V120 HydrophobicContact CE1-CG1 4.36Å; Y91-G127 WeakPolarHBondContact CA-O 3.15Å; Y91-I129 HydrophobicContact CD1-CD1 4.17Å; Y91-I129 HydrophobicContact CD1-CG1 4.1Å; Y91-I129 HydrophobicContact CD2-CD1 3.85Å; Y91-I129 HydrophobicContact CG-CD1 3.48Å; Y91-I129 VanDerWaalsContact CG-CD1 3.48Å; Y91-I129 HydrophobicContact CG-CG1 3.86Å |
| 92 | L | 95.1 | Very high | 92 | Very high | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 112.8 | 169.9 | -176.3 | 74.1 | 0 | 0 | 0 | 108.4 | L82 F108 S109 V110 G127 I128 I129 F154 | L82-L92 HydrophobicContact CD1-CD2 4.37Å; L82-L92 HydrophobicContact CD2-CB 4.14Å; L82-L92 HydrophobicContact CD2-CD1 4.49Å; L82-L92 HydrophobicContact CD2-CD2 3.99Å; L82-L92 HydrophobicContact CD2-CG 4.44Å; L92-F108 HydrophobicContact CD1-CB 4.28Å; L92-F108 HydrophobicContact CD2-CD1 4.32Å; L92-S109 CarbonylContact C-O 3.47Å; L92-V110 HydrophobicContact CD1-CG2 4.29Å; L92-G127 PolarHBondContact N-O 2.89Å; L92-G127 VanDerWaalsContact N-O 3.17Å; L92-I128 HydrophobicContact CB-CG1 4.22Å; L92-I128 HydrophobicContact CD2-CD1 4.01Å; L92-I128 CarbonylContact O-C 3.57Å; L92-I128 VanDerWaalsContact O-CA 3.31Å; L92-I128 WeakPolarHBondContact O-CA 3.5Å; L92-I128 WeakPolarHBondContact O-CG2 3.47Å; L92-I129 PolarHBondContact O-N 2.96Å; L92-F154 HydrophobicContact CD2-CD1 4.42Å |
| 93 | R | 95.2 | Very high | 91.8 | Very high | 13 Ų | 13 | 58.6 Ų | 58.6 | 5% | 0.049 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 130.6 | 171.6 | -171.1 | -177.8 | -72.7 | -93.3 | -7.1 | 110.2 | Y91 Q95 F108 S109 D111 N113 N115 D118 I129 D131 | Y91-R93 PolarHBondContact O-N 3.45Å; R93-Q95 HydrophobicContact CG-CG 3.9Å; R93-F108 WeakPolarHBondContact O-CA 3.37Å; R93-S109 PolarHBondContact N-O 2.75Å; R93-S109 PolarHBondContact O-N 2.97Å; R93-D111 WeakPolarHBondContact CD-OD2 3.36Å; R93-D111 IonicContact CZ-OD2 3.84Å; R93-D111 IonicContact NE-OD2 2.83Å; R93-D111 PolarHBondContact NE-OD2 2.87Å; R93-N113 PolarHBondContact NH2-O 2.85Å; R93-N115 PolarHBondContact NH1-ND2 2.97Å; R93-N115 PolarHBondContact NH2-ND2 3.31Å; R93-D118 IonicContact CZ-OD1 3.89Å; R93-D118 IonicContact CZ-OD2 2.75Å; R93-D118 VanDerWaalsContact CZ-OD2 3.3Å; R93-D118 VanDerWaalsContact NH1-CG 3.3Å; R93-D118 IonicContact NH1-OD1 3.97Å; R93-D118 PolarHBondContact NH1-OD1 2.91Å; R93-D118 IonicContact NH1-OD2 3.3Å; R93-D118 PolarHBondContact NH1-OD2 2.63Å; R93-D118 IonicContact NH2-OD2 2.97Å; R93-D118 PolarHBondContact NH2-OD2 3.04Å; R93-I129 CarbonylContact C-O 3.47Å; R93-I129 VanDerWaalsContact CA-O 3.3Å; R93-I129 WeakPolarHBondContact CA-O 3.5Å; R93-D131 WeakPolarHBondContact CD-OD1 3.38Å; R93-D131 WeakPolarHBondContact CG-OD1 3.21Å; R93-D131 IonicContact CZ-OD1 3.57Å; R93-D131 IonicContact NE-OD1 3.86Å; R93-D131 VanDerWaalsContact NH1-CG 3.31Å; R93-D131 IonicContact NH1-OD1 2.64Å; R93-D131 PolarHBondContact NH1-OD1 2.99Å; R93-D131 IonicContact NH1-OD2 3.59Å |
| 94 | I | 95 | Very high | 91.9 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 121.7 | 172.6 | -53.3 | 176.9 | 0 | 0 | 0 | 108.4 | F108 I128 I129 V130 V138 V143 | I94-F108 HydrophobicContact CD1-CE1 4.33Å; I94-F108 HydrophobicContact CG1-CD1 4.02Å; I94-F108 HydrophobicContact CG1-CE1 4.04Å; I94-F108 HydrophobicContact CG2-CE1 4.18Å; I94-I128 HydrophobicContact CD1-CD1 4.29Å; I94-I128 HydrophobicContact CD1-CG2 3.64Å; I94-I128 HydrophobicContact CG1-CG2 3.94Å; I94-I129 PolarHBondContact N-O 2.99Å; I94-V130 HydrophobicContact CB-CG2 4.32Å; I94-V130 HydrophobicContact CD1-CG2 4.44Å; I94-V138 HydrophobicContact CG2-CG1 4.35Å; I94-V143 HydrophobicContact CD1-CG1 4.48Å; I94-V143 HydrophobicContact CD1-CG2 3.61Å |
| 95 | Q | 94.8 | Very high | 91.9 | Very high | 46 Ų | 46 | 56 Ų | 56 | 22% | 0.215 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 148.9 | 176.9 | -54.8 | -175.2 | -56.6 | 0 | 0 | 109.9 | R93 K107 D131 S134 | R93-Q95 HydrophobicContact CG-CG 3.9Å; Q95-K107 HydrophobicContact CB-CB 4.31Å; Q95-K107 PolarHBondContact N-O 2.97Å; Q95-K107 PolarHBondContact O-N 2.86Å; Q95-D131 WeakPolarHBondContact CG-OD2 3.29Å; Q95-D131 PolarHBondContact NE2-OD2 2.73Å; Q95-S134 WeakPolarHBondContact CA-OG 3.33Å |
| 96 | V | 95 | Very high | 92 | Very high | 21 Ų | 21 | 53.9 Ų | 53.9 | 13% | 0.127 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122 | 171 | 178.2 | 0 | 0 | 0 | 0 | 108.1 | F104 Q105 Y106 S134 F137 V138 F172 | V96-F104 HydrophobicContact CG1-CB 3.98Å; V96-F104 HydrophobicContact CG1-CD1 3.89Å; V96-F104 HydrophobicContact CG1-CG 4.3Å; V96-Q105 WeakPolarHBondContact CA-O 3.24Å; V96-Y106 HydrophobicContact CG2-CD1 3.94Å; V96-Y106 HydrophobicContact CG2-CE1 4.14Å; V96-S134 PolarHBondContact N-OG 3.34Å; V96-F137 HydrophobicContact CB-CB 4.38Å; V96-F137 HydrophobicContact CB-CD2 4.12Å; V96-F137 HydrophobicContact CB-CG 4.45Å; V96-F137 HydrophobicContact CG1-CB 4.31Å; V96-F137 HydrophobicContact CG1-CD2 4.1Å; V96-F137 HydrophobicContact CG1-CG 4.16Å; V96-F137 HydrophobicContact CG2-CB 3.92Å; V96-V138 HydrophobicContact CG2-CG1 3.96Å; V96-F172 HydrophobicContact CG1-CE1 3.98Å; V96-F172 HydrophobicContact CG1-CZ 3.84Å; V96-F172 HydrophobicContact CG2-CE1 4.47Å; V96-F172 HydrophobicContact CG2-CZ 4.43Å |
| 97 | E | 94.4 | Very high | 92 | Very high | 66 Ų | 66 | 56.4 Ų | 56.4 | 31% | 0.308 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 147.3 | 176.6 | -66.6 | 178.5 | 163.4 | 0 | 0 | 109.8 | G99 F104 Q105 K107 | E97-G99 PolarHBondContact O-N 3.35Å; E97-F104 CarbonylContact O-C 2.92Å; E97-F104 WeakPolarHBondContact O-CA 3.3Å; E97-Q105 HydrophobicContact CB-CG 3.92Å; E97-Q105 PolarHBondContact N-O 3.45Å; E97-Q105 PolarHBondContact O-N 3.27Å; E97-Q105 PolarHBondContact OE2-NE2 2.76Å; E97-K107 VanDerWaalsContact CD-CD 3.46Å; E97-K107 HydrophobicContact CG-CD 4.37Å; E97-K107 WeakPolarHBondContact OE1-CD 3.25Å; E97-K107 WeakPolarHBondContact OE1-CE 3.22Å; E97-K107 IonicContact OE1-NZ 2.7Å; E97-K107 PolarHBondContact OE1-NZ 2.83Å |
| 98 | G | 93.9 | Very high | 92.3 | Very high | 65 Ų | 65 | 53 Ų | 53 | 67% | 0.67 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69 | 125.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | G103 | G98-G103 CarbonylContact C-O 3.58Å |
| 99 | G | 91.1 | Very high | 92.7 | Very high | 26 Ų | 26 | 44.4 Ų | 44.4 | 27% | 0.268 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.9 | -162.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | E97 G103 F104 | E97-G99 PolarHBondContact O-N 3.35Å; G99-G103 PolarHBondContact N-O 2.97Å; G99-G103 CarbonylContact O-C 3.57Å; G99-G103 WeakPolarHBondContact O-CA 3.48Å; G99-G103 PolarHBondContact O-N 2.75Å; G99-G103 VanDerWaalsContact O-O 3.11Å; G99-F104 CarbonylContact O-C 3.57Å; G99-F104 PolarHBondContact O-N 3.38Å; G99-F104 VanDerWaalsContact O-N 3.12Å |
| 100 | G | 87.5 | Confident | 93.1 | Very high | 48 Ų | 48 | 45.9 Ų | 45.9 | 50% | 0.495 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | -174 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S102 | G100-S102 PolarHBondContact O-N 3.03Š|
| 101 | C | 86.9 | Confident | 93.1 | Very high | 120 Ų | 120 | 47.1 Ų | 47.1 | 81% | 0.811 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -19.4 | -176.4 | -58.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 102 | S | 86.9 | Confident | 93 | Very high | 34 Ų | 34 | 52.1 Ų | 52.1 | 24% | 0.238 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | -1.6 | -168.1 | -56.4 | 0 | 0 | 0 | 0 | 114 | G100 F172 S173 | G100-S102 PolarHBondContact O-N 3.03Å; S102-F172 CarbonylContact C-O 3.55Å; S102-S173 PolarHBondContact O-OG 3.4Å |
| 103 | G | 92.1 | Very high | 92.8 | Very high | 40 Ų | 40 | 58 Ų | 58 | 41% | 0.412 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 112.7 | -37.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G98 G99 | G98-G103 CarbonylContact C-O 3.58Å; G99-G103 PolarHBondContact N-O 2.97Å; G99-G103 CarbonylContact O-C 3.57Å; G99-G103 WeakPolarHBondContact O-CA 3.48Å; G99-G103 PolarHBondContact O-N 2.75Å; G99-G103 VanDerWaalsContact O-O 3.11Å |
| 104 | F | 94.6 | Very high | 92.5 | Very high | 64 Ų | 64 | 61.4 Ų | 61.4 | 28% | 0.281 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 149.2 | 173.4 | -64.5 | -87.5 | 0 | 0 | 0 | 111.9 | V96 E97 G99 F137 S171 F172 V174 | V96-F104 HydrophobicContact CG1-CB 3.98Å; V96-F104 HydrophobicContact CG1-CD1 3.89Å; V96-F104 HydrophobicContact CG1-CG 4.3Å; E97-F104 CarbonylContact O-C 2.92Å; E97-F104 WeakPolarHBondContact O-CA 3.3Å; G99-F104 CarbonylContact O-C 3.57Å; G99-F104 PolarHBondContact O-N 3.38Å; G99-F104 VanDerWaalsContact O-N 3.12Å; F104-F137 HydrophobicContact CE1-CE1 4.35Å; F104-F137 HydrophobicContact CE1-CZ 4.23Å; F104-F137 HydrophobicContact CZ-CE1 4.36Å; F104-S171 CarbonylContact O-C 3.51Å; F104-S171 WeakPolarHBondContact O-CA 3.4Å; F104-S171 WeakPolarHBondContact O-CB 3.42Å; F104-F172 HydrophobicContact CB-CD1 4.12Å; F104-F172 HydrophobicContact CB-CE1 3.7Å; F104-F172 HydrophobicContact CB-CE2 4.3Å; F104-F172 HydrophobicContact CB-CZ 3.8Å; F104-F172 HydrophobicContact CG-CZ 4.47Å; F104-F172 PolarHBondContact N-O 3.5Å; F104-F172 PolarHBondContact O-N 3.4Å; F104-V174 HydrophobicContact CD2-CB 4.33Å; F104-V174 HydrophobicContact CD2-CG2 3.39Å; F104-V174 HydrophobicContact CE2-CB 4.05Å; F104-V174 HydrophobicContact CE2-CG2 3.4Å; F104-V174 HydrophobicContact CG-CG2 4.12Å; F104-V174 HydrophobicContact CZ-CG2 4.13Å |
| 105 | Q | 94.1 | Very high | 92.3 | Very high | 64 Ų | 64 | 65.9 Ų | 65.9 | 30% | 0.299 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 144.4 | 178.1 | 66.8 | -178.7 | 39.3 | 0 | 0 | 111.5 | V96 E97 S170 | V96-Q105 WeakPolarHBondContact CA-O 3.24Å; E97-Q105 HydrophobicContact CB-CG 3.92Å; E97-Q105 PolarHBondContact N-O 3.45Å; E97-Q105 PolarHBondContact O-N 3.27Å; E97-Q105 PolarHBondContact OE2-NE2 2.76Å; Q105-S170 WeakPolarHBondContact CA-O 3.41Å |
| 106 | Y | 94.5 | Very high | 92.1 | Very high | 26 Ų | 26 | 73.3 Ų | 73.3 | 10% | 0.102 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 135.4 | 172 | -58 | -70.7 | 0 | 0 | 0 | 110 | V96 V138 V156 N159 S170 F172 | V96-Y106 HydrophobicContact CG2-CD1 3.94Å; V96-Y106 HydrophobicContact CG2-CE1 4.14Å; Y106-V138 HydrophobicContact CD1-CG1 4.36Å; Y106-V138 HydrophobicContact CE1-CG1 3.94Å; Y106-V156 HydrophobicContact CD1-CB 4.42Å; Y106-V156 HydrophobicContact CD1-CG2 3.81Å; Y106-V156 HydrophobicContact CD2-CB 4.23Å; Y106-V156 HydrophobicContact CD2-CG2 4.12Å; Y106-V156 HydrophobicContact CE1-CB 4.08Å; Y106-V156 HydrophobicContact CE1-CG1 4.26Å; Y106-V156 HydrophobicContact CE1-CG2 3.91Å; Y106-V156 HydrophobicContact CE2-CB 3.86Å; Y106-V156 HydrophobicContact CE2-CG2 4.2Å; Y106-V156 HydrophobicContact CG-CB 4.49Å; Y106-V156 HydrophobicContact CG-CG2 3.92Å; Y106-N159 PolarHBondContact OH-ND2 2.7Å; Y106-S170 PolarHBondContact N-O 3.35Å; Y106-S170 VanDerWaalsContact N-O 3.12Å; Y106-F172 HydrophobicContact CD1-CD1 4.47Å; Y106-F172 AromaticContact CD1-CE1 3.93Å; Y106-F172 HydrophobicContact CD1-CE1 3.93Å; Y106-F172 HydrophobicContact CD2-CD1 4.13Å; Y106-F172 HydrophobicContact CD2-CE1 4.38Å; Y106-F172 AromaticContact CE1-CD1 3.81Å; Y106-F172 HydrophobicContact CE1-CD1 3.81Å; Y106-F172 AromaticContact CE1-CE1 3.32Å; Y106-F172 HydrophobicContact CE1-CE1 3.32Å; Y106-F172 AromaticContact CE1-CZ 3.97Å; Y106-F172 HydrophobicContact CE1-CZ 3.97Å; Y106-F172 AromaticContact CE2-CD1 3.41Å; Y106-F172 HydrophobicContact CE2-CD1 3.41Å; Y106-F172 VanDerWaalsContact CE2-CD1 3.41Å; Y106-F172 AromaticContact CE2-CE1 3.84Å; Y106-F172 HydrophobicContact CE2-CE1 3.84Å; Y106-F172 HydrophobicContact CE2-CG 4.25Å; Y106-F172 HydrophobicContact CG-CE1 4.42Å; Y106-F172 AromaticContact CZ-CD1 3.23Å; Y106-F172 AromaticContact CZ-CE1 3.27Å; Y106-F172 AromaticContact CZ-CG 4Å; Y106-F172 VanDerWaalsContact OH-CD1 3.3Å; Y106-F172 WeakPolarHBondContact OH-CD1 3.49Å; Y106-F172 WeakPolarHBondContact OH-CE1 3.15Å |
| 107 | K | 94.1 | Very high | 91.8 | Very high | 81 Ų | 81 | 79.5 Ų | 79.5 | 35% | 0.352 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 132.1 | 173.4 | -176 | 176.7 | -178.3 | -172.2 | 0 | 109.4 | Q95 E97 | Q95-K107 HydrophobicContact CB-CB 4.31Å; Q95-K107 PolarHBondContact N-O 2.97Å; Q95-K107 PolarHBondContact O-N 2.86Å; E97-K107 VanDerWaalsContact CD-CD 3.46Å; E97-K107 HydrophobicContact CG-CD 4.37Å; E97-K107 WeakPolarHBondContact OE1-CD 3.25Å; E97-K107 WeakPolarHBondContact OE1-CE 3.22Å; E97-K107 IonicContact OE1-NZ 2.7Å; E97-K107 PolarHBondContact OE1-NZ 2.83Å |
| 108 | F | 94.4 | Very high | 91.7 | Very high | 55 Ų | 55 | 77.3 Ų | 77.3 | 24% | 0.241 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 133.8 | 178.9 | -58.2 | -78.7 | 0 | 0 | 0 | 108.5 | L92 R93 I94 F154 V156 | L92-F108 HydrophobicContact CD1-CB 4.28Å; L92-F108 HydrophobicContact CD2-CD1 4.32Å; R93-F108 WeakPolarHBondContact O-CA 3.37Å; I94-F108 HydrophobicContact CD1-CE1 4.33Å; I94-F108 HydrophobicContact CG1-CD1 4.02Å; I94-F108 HydrophobicContact CG1-CE1 4.04Å; I94-F108 HydrophobicContact CG2-CE1 4.18Å; F108-F154 HydrophobicContact CD1-CB 4.14Å; F108-F154 HydrophobicContact CD2-CB 4.01Å; F108-F154 HydrophobicContact CE1-CB 4.04Å; F108-F154 HydrophobicContact CE2-CB 3.9Å; F108-F154 WeakPolarHBondContact CE2-O 3.4Å; F108-F154 HydrophobicContact CG-CB 4.12Å; F108-F154 HydrophobicContact CZ-CB 3.9Å; F108-V156 HydrophobicContact CE1-CG2 4.37Å; F108-V156 HydrophobicContact CZ-CG2 3.95Å |
| 109 | S | 94.1 | Very high | 91.6 | Very high | 39 Ų | 39 | 79.4 Ų | 79.4 | 27% | 0.273 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 154.9 | 176.5 | -66.8 | 0 | 0 | 0 | 0 | 109.3 | L92 R93 | L92-S109 CarbonylContact C-O 3.47Å; R93-S109 PolarHBondContact N-O 2.75Å; R93-S109 PolarHBondContact O-N 2.97Å |
| 110 | V | 93.8 | Very high | 91.7 | Very high | 74 Ų | 74 | 80.7 Ų | 80.7 | 45% | 0.448 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 119.4 | 176.9 | 179.5 | 0 | 0 | 0 | 0 | 107.4 | E90 Y91 L92 | E90-V110 HydrophobicContact CB-CG1 3.99Å; E90-V110 HydrophobicContact CG-CG1 4.32Å; Y91-V110 WeakPolarHBondContact O-CA 3.4Å; L92-V110 HydrophobicContact CD1-CG2 4.29Å |
| 111 | D | 93.1 | Very high | 91.9 | Very high | 59 Ų | 59 | 80 Ų | 80 | 32% | 0.316 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 147.2 | -178.2 | -73.7 | -45.3 | 0 | 0 | 0 | 110.7 | Y91 R93 | Y91-D111 PolarHBondContact N-O 2.94Å; Y91-D111 PolarHBondContact O-N 2.8Å; R93-D111 WeakPolarHBondContact CD-OD2 3.36Å; R93-D111 IonicContact CZ-OD2 3.84Å; R93-D111 IonicContact NE-OD2 2.83Å; R93-D111 PolarHBondContact NE-OD2 2.87Å |
| 112 | R | 92.7 | Very high | 92 | Very high | 149 Ų | 149 | 80.9 Ų | 80.9 | 56% | 0.562 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -92.6 | -22.9 | 173.4 | -68.9 | 174.7 | -176.7 | -159.7 | -6.6 | 112.4 | E87 E90 | E87-R112 IonicContact OE2-NH2 3.03Å; E87-R112 PolarHBondContact OE2-NH2 3.17Å; E90-R112 HydrophobicContact CG-CG 3.66Å; E90-R112 IonicContact OE1-CZ 2.75Å; E90-R112 VanDerWaalsContact OE1-CZ 3.3Å; E90-R112 IonicContact OE1-NE 2.97Å; E90-R112 PolarHBondContact OE1-NE 2.84Å; E90-R112 IonicContact OE1-NH2 2.97Å; E90-R112 PolarHBondContact OE1-NH2 2.87Å |
| 113 | N | 89.8 | Confident | 92.1 | Very high | 126 Ų | 126 | 83 Ų | 83 | 67% | 0.674 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -99.5 | 134.8 | -175.6 | -63.1 | -38.3 | 0 | 0 | 0 | 110.7 | R93 | R93-N113 PolarHBondContact NH2-O 2.85Š|
| 114 | K | 90.6 | Very high | 91.8 | Very high | 86 Ų | 86 | 84.2 Ų | 84.2 | 37% | 0.374 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -96.5 | 133.6 | 169.5 | -70.3 | 166.8 | 173 | 177.2 | 0 | 108.2 | Y91 V120 E122 I129 | Y91-K114 HydrophobicContact CD2-CG 4.49Å; Y91-K114 VanDerWaalsContact CE1-NZ 3.27Å; Y91-K114 HydrophobicContact CE2-CD 4.34Å; Y91-K114 VanDerWaalsContact CE2-CE 3.49Å; Y91-K114 HydrophobicContact CE2-CG 4.48Å; Y91-K114 WeakPolarHBondContact OH-CE 3.34Å; Y91-K114 PolarHBondContact OH-NZ 2.56Å; K114-V120 HydrophobicContact CD-CG2 3.72Å; K114-V120 HydrophobicContact CG-CG2 4.15Å; K114-E122 IonicContact NZ-OE1 3.09Å; K114-I129 HydrophobicContact CB-CD1 4.34Å; K114-I129 HydrophobicContact CD-CD1 4.49Å; K114-I129 HydrophobicContact CG-CD1 3.41Å; K114-I129 VanDerWaalsContact CG-CD1 3.41Å; K114-I129 HydrophobicContact CG-CG1 4.16Å |
| 115 | N | 90.9 | Very high | 91.5 | Very high | 95 Ų | 95 | 85.4 Ų | 85.4 | 51% | 0.508 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -86.3 | 162.6 | 167 | -53.8 | -39.4 | 0 | 0 | 0 | 109.6 | R93 E117 D118 | R93-N115 PolarHBondContact NH1-ND2 2.97Å; R93-N115 PolarHBondContact NH2-ND2 3.31Å; N115-E117 VanDerWaalsContact C-N 3.28Å; N115-E117 PolarHBondContact O-N 3.01Å; N115-D118 WeakPolarHBondContact CA-OD2 3.31Å; N115-D118 VanDerWaalsContact CB-OD2 3.24Å; N115-D118 WeakPolarHBondContact CB-OD2 3.47Å; N115-D118 PolarHBondContact N-OD2 2.84Å; N115-D118 PolarHBondContact ND2-OD2 3.17Å; N115-D118 PolarHBondContact O-N 3.19Å |
| 116 | E | 88.9 | Confident | 91.4 | Very high | 202 Ų | 202 | 83 Ų | 83 | 94% | 0.944 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -28.7 | -177.9 | -60.9 | -175.7 | 172.5 | 0 | 0 | 113 | ||
| 117 | E | 89.3 | Confident | 91.2 | Very high | 150 Ų | 150 | 82 Ų | 82 | 70% | 0.701 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -11.4 | 179.9 | -60.9 | 177.5 | -176.9 | 0 | 0 | 112.5 | N115 Q132 | N115-E117 VanDerWaalsContact C-N 3.28Å; N115-E117 PolarHBondContact O-N 3.01Å; E117-Q132 HydrophobicContact CB-CB 4.4Å |
| 118 | D | 92.1 | Very high | 91.2 | Very high | 21 Ų | 21 | 78.2 Ų | 78.2 | 11% | 0.112 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -77.7 | 142 | -176.3 | -57.8 | -31.5 | 0 | 0 | 0 | 111.7 | R93 N115 I129 | R93-D118 IonicContact CZ-OD1 3.89Å; R93-D118 IonicContact CZ-OD2 2.75Å; R93-D118 VanDerWaalsContact CZ-OD2 3.3Å; R93-D118 VanDerWaalsContact NH1-CG 3.3Å; R93-D118 IonicContact NH1-OD1 3.97Å; R93-D118 PolarHBondContact NH1-OD1 2.91Å; R93-D118 IonicContact NH1-OD2 3.3Å; R93-D118 PolarHBondContact NH1-OD2 2.63Å; R93-D118 IonicContact NH2-OD2 2.97Å; R93-D118 PolarHBondContact NH2-OD2 3.04Å; N115-D118 WeakPolarHBondContact CA-OD2 3.31Å; N115-D118 VanDerWaalsContact CB-OD2 3.24Å; N115-D118 WeakPolarHBondContact CB-OD2 3.47Å; N115-D118 PolarHBondContact N-OD2 2.84Å; N115-D118 PolarHBondContact ND2-OD2 3.17Å; N115-D118 PolarHBondContact O-N 3.19Å; D118-I129 HydrophobicContact CB-CG2 3.4Å; D118-I129 WeakPolarHBondContact OD2-CG2 3.32Å |
| 119 | R | 92.4 | Very high | 91.3 | Very high | 108 Ų | 108 | 75.6 Ų | 75.6 | 41% | 0.408 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 128.5 | 169.5 | -73.4 | -72.3 | 176.1 | 95.1 | 0.7 | 110.6 | D70 F121 I129 V130 L135 | D70-R119 IonicContact OD2-NH1 3.3Å; D70-R119 PolarHBondContact OD2-NH1 3.26Å; D70-R119 VanDerWaalsContact OD2-NH1 3.09Å; R119-F121 HydrophobicContact CB-CE2 3.82Å; R119-F121 HydrophobicContact CB-CZ 3.97Å; R119-I129 CarbonylContact O-C 3.59Å; R119-I129 WeakPolarHBondContact O-CA 3.48Å; R119-V130 PolarHBondContact N-O 2.64Å; R119-V130 PolarHBondContact O-N 3.25Å; R119-L135 HydrophobicContact CB-CD1 4.41Å; R119-L135 HydrophobicContact CG-CD1 4.47Å; R119-L135 HydrophobicContact CG-CD2 3.79Å |
| 120 | V | 92.1 | Very high | 91.3 | Very high | 54 Ų | 54 | 73.7 Ų | 73.7 | 33% | 0.327 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 128.5 | 177.8 | -170.8 | 0 | 0 | 0 | 0 | 110 | Y91 K114 E122 I128 I129 | Y91-V120 HydrophobicContact CD1-CG1 4.49Å; Y91-V120 HydrophobicContact CE1-CG1 4.36Å; K114-V120 HydrophobicContact CD-CG2 3.72Å; K114-V120 HydrophobicContact CG-CG2 4.15Å; V120-E122 HydrophobicContact CG1-CG 4.05Å; V120-I128 CarbonylContact C-O 3.58Å; V120-I128 WeakPolarHBondContact CA-O 3.43Å; V120-I129 HydrophobicContact CG2-CG1 4.36Å |
| 121 | F | 92.1 | Very high | 91.3 | Very high | 34 Ų | 34 | 71.5 Ų | 71.5 | 15% | 0.149 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 118.4 | 174.6 | -58.3 | -79.1 | 0 | 0 | 0 | 109.8 | D70 V72 R119 I128 V130 L135 | D70-F121 WeakPolarHBondContact O-CE1 3.27Å; D70-F121 WeakPolarHBondContact O-CZ 3.41Å; V72-F121 HydrophobicContact CB-CD2 4.27Å; V72-F121 HydrophobicContact CB-CE2 4.35Å; V72-F121 HydrophobicContact CB-CG 4.41Å; V72-F121 HydrophobicContact CG2-CD2 4.3Å; V72-F121 HydrophobicContact CG2-CE2 3.92Å; V72-F121 HydrophobicContact CG2-CZ 4.13Å; R119-F121 HydrophobicContact CB-CE2 3.82Å; R119-F121 HydrophobicContact CB-CZ 3.97Å; F121-I128 PolarHBondContact N-O 3.05Å; F121-I128 PolarHBondContact O-N 3.32Å; F121-V130 HydrophobicContact CD2-CG2 3.9Å; F121-V130 HydrophobicContact CE2-CB 4.09Å; F121-V130 HydrophobicContact CE2-CG2 3.74Å; F121-L135 HydrophobicContact CE2-CD1 4.04Å; F121-L135 HydrophobicContact CZ-CD1 3.83Å |
| 122 | E | 90.4 | Very high | 91.2 | Very high | 137 Ų | 137 | 72.3 Ų | 72.3 | 64% | 0.64 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 128.4 | 179.5 | -62.7 | -175.5 | 173.8 | 0 | 0 | 110.4 | K114 V120 V126 | K114-E122 IonicContact NZ-OE1 3.09Å; V120-E122 HydrophobicContact CG1-CG 4.05Å; E122-V126 WeakPolarHBondContact CA-O 3.36Å |
| 123 | Q | 88.9 | Confident | 91.2 | Very high | 78 Ų | 78 | 73 Ų | 73 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 122.2 | 177.5 | -165.3 | -179.3 | -33.7 | 0 | 0 | 109.9 | L74 G125 V126 | L74-Q123 HydrophobicContact CD1-CB 3.55Å; L74-Q123 HydrophobicContact CD1-CG 4.47Å; L74-Q123 VanDerWaalsContact N-OE1 3.11Å; L74-Q123 PolarHBondContact O-NE2 3.18Å; L74-Q123 VanDerWaalsContact O-NE2 3.08Å; Q123-G125 VanDerWaalsContact C-N 3.3Å; Q123-G125 PolarHBondContact O-N 3.42Å; Q123-V126 PolarHBondContact N-O 3.15Å; Q123-V126 VanDerWaalsContact O-CG2 3.27Å; Q123-V126 WeakPolarHBondContact O-CG2 3.39Å; Q123-V126 PolarHBondContact O-N 2.85Å |
| 124 | G | 85.5 | Confident | 91.4 | Very high | 67 Ų | 67 | 67.3 Ų | 67.3 | 69% | 0.691 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 29.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 125 | G | 88 | Confident | 91.5 | Very high | 88 Ų | 88 | 63.4 Ų | 63.4 | 91% | 0.907 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | 3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q123 | Q123-G125 VanDerWaalsContact C-N 3.3Å; Q123-G125 PolarHBondContact O-N 3.42Å |
| 126 | V | 91.8 | Very high | 91.5 | Very high | 13 Ų | 13 | 64.6 Ų | 64.6 | 8% | 0.079 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 149.6 | 170.4 | -58.4 | 0 | 0 | 0 | 0 | 110.3 | V79 L82 E122 Q123 | V79-V126 HydrophobicContact CB-CG2 4.36Å; V79-V126 HydrophobicContact CG1-CG2 4.1Å; V79-V126 HydrophobicContact CG2-CG2 4.22Å; L82-V126 HydrophobicContact CB-CB 4.01Å; L82-V126 HydrophobicContact CB-CG1 3.79Å; L82-V126 HydrophobicContact CB-CG2 4.06Å; L82-V126 HydrophobicContact CD1-CG2 4.03Å; E122-V126 WeakPolarHBondContact CA-O 3.36Å; Q123-V126 PolarHBondContact N-O 3.15Å; Q123-V126 VanDerWaalsContact O-CG2 3.27Å; Q123-V126 WeakPolarHBondContact O-CG2 3.39Å; Q123-V126 PolarHBondContact O-N 2.85Å |
| 127 | G | 91.3 | Very high | 91.7 | Very high | 6 Ų | 6 | 57.4 Ų | 57.4 | 6% | 0.062 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 135.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y91 L92 | Y91-G127 WeakPolarHBondContact CA-O 3.15Å; L92-G127 PolarHBondContact N-O 2.89Å; L92-G127 VanDerWaalsContact N-O 3.17Å |
| 128 | I | 94.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 142.4 | 169.5 | -65 | -159 | 0 | 0 | 0 | 108.8 | L74 L82 L92 I94 V120 F121 V130 V143 | L74-I128 HydrophobicContact CD1-CD1 4.25Å; L74-I128 HydrophobicContact CD1-CG1 4.42Å; L74-I128 HydrophobicContact CD2-CD1 3.2Å; L74-I128 HydrophobicContact CD2-CG1 3.89Å; L74-I128 HydrophobicContact CG-CD1 3.95Å; L82-I128 HydrophobicContact CD1-CD1 4.24Å; L82-I128 HydrophobicContact CD1-CG1 4.32Å; L92-I128 HydrophobicContact CB-CG1 4.22Å; L92-I128 HydrophobicContact CD2-CD1 4.01Å; L92-I128 CarbonylContact O-C 3.57Å; L92-I128 VanDerWaalsContact O-CA 3.31Å; L92-I128 WeakPolarHBondContact O-CA 3.5Å; L92-I128 WeakPolarHBondContact O-CG2 3.47Å; I94-I128 HydrophobicContact CD1-CD1 4.29Å; I94-I128 HydrophobicContact CD1-CG2 3.64Å; I94-I128 HydrophobicContact CG1-CG2 3.94Å; V120-I128 CarbonylContact C-O 3.58Å; V120-I128 WeakPolarHBondContact CA-O 3.43Å; F121-I128 PolarHBondContact N-O 3.05Å; F121-I128 PolarHBondContact O-N 3.32Å; I128-V130 HydrophobicContact CG2-CG2 4.08Å; I128-V143 HydrophobicContact CD1-CG1 4.45Å |
| 129 | I | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 137.5 | 173.5 | -65.4 | 172 | 0 | 0 | 0 | 108.1 | Y91 L92 R93 I94 K114 D118 R119 V120 | Y91-I129 HydrophobicContact CD1-CD1 4.17Å; Y91-I129 HydrophobicContact CD1-CG1 4.1Å; Y91-I129 HydrophobicContact CD2-CD1 3.85Å; Y91-I129 HydrophobicContact CG-CD1 3.48Å; Y91-I129 VanDerWaalsContact CG-CD1 3.48Å; Y91-I129 HydrophobicContact CG-CG1 3.86Å; L92-I129 PolarHBondContact O-N 2.96Å; R93-I129 CarbonylContact C-O 3.47Å; R93-I129 VanDerWaalsContact CA-O 3.3Å; R93-I129 WeakPolarHBondContact CA-O 3.5Å; I94-I129 PolarHBondContact N-O 2.99Å; K114-I129 HydrophobicContact CB-CD1 4.34Å; K114-I129 HydrophobicContact CD-CD1 4.49Å; K114-I129 HydrophobicContact CG-CD1 3.41Å; K114-I129 VanDerWaalsContact CG-CD1 3.41Å; K114-I129 HydrophobicContact CG-CG1 4.16Å; D118-I129 HydrophobicContact CB-CG2 3.4Å; D118-I129 WeakPolarHBondContact OD2-CG2 3.32Å; R119-I129 CarbonylContact O-C 3.59Å; R119-I129 WeakPolarHBondContact O-CA 3.48Å; V120-I129 HydrophobicContact CG2-CG1 4.36Å |
| 130 | V | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 126.4 | 174.1 | -173.8 | 0 | 0 | 0 | 0 | 108.7 | V72 I94 R119 F121 I128 L135 V138 | V72-V130 HydrophobicContact CG2-CG2 4.45Å; I94-V130 HydrophobicContact CB-CG2 4.32Å; I94-V130 HydrophobicContact CD1-CG2 4.44Å; R119-V130 PolarHBondContact N-O 2.64Å; R119-V130 PolarHBondContact O-N 3.25Å; F121-V130 HydrophobicContact CD2-CG2 3.9Å; F121-V130 HydrophobicContact CE2-CB 4.09Å; F121-V130 HydrophobicContact CE2-CG2 3.74Å; I128-V130 HydrophobicContact CG2-CG2 4.08Å; V130-L135 HydrophobicContact CB-CD1 4.46Å; V130-L135 HydrophobicContact CG1-CB 4.15Å; V130-L135 HydrophobicContact CG1-CD1 4.22Å; V130-V138 HydrophobicContact CG1-CG2 3.53Å; V130-V138 HydrophobicContact CG2-CG2 4.39Å |
| 131 | D | 93.4 | Very high | 92.1 | Very high | 28 Ų | 28 | 46 Ų | 46 | 15% | 0.15 | 27% | 0.266 | C | S | . | . | trans | -65.2 | 147.6 | 177.9 | -53.5 | 10 | 0 | 0 | 0 | 109.6 | R93 Q95 E133 S134 L135 | R93-D131 WeakPolarHBondContact CD-OD1 3.38Å; R93-D131 WeakPolarHBondContact CG-OD1 3.21Å; R93-D131 IonicContact CZ-OD1 3.57Å; R93-D131 IonicContact NE-OD1 3.86Å; R93-D131 VanDerWaalsContact NH1-CG 3.31Å; R93-D131 IonicContact NH1-OD1 2.64Å; R93-D131 PolarHBondContact NH1-OD1 2.99Å; R93-D131 IonicContact NH1-OD2 3.59Å; Q95-D131 WeakPolarHBondContact CG-OD2 3.29Å; Q95-D131 PolarHBondContact NE2-OD2 2.73Å; D131-E133 VanDerWaalsContact C-N 3.29Å; D131-E133 PolarHBondContact O-N 2.83Å; D131-S134 CarbonylContact O-C 3.51Å; D131-S134 PolarHBondContact O-N 3.38Å; D131-L135 PolarHBondContact O-N 3.15Å | ||
| 132 | Q | 91.5 | Very high | 92.1 | Very high | 76 Ų | 76 | 45.8 Ų | 45.8 | 36% | 0.355 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -56.4 | -41.4 | -177 | -176.3 | 58.8 | 42.8 | 0 | 0 | 112.9 | E117 S134 L135 | E117-Q132 HydrophobicContact CB-CB 4.4Å; Q132-S134 VanDerWaalsContact C-N 3.34Å; Q132-L135 WeakPolarHBondContact O-CB 3.42Å; Q132-L135 PolarHBondContact O-N 2.8Å |
| 133 | E | 91.6 | Very high | 92.4 | Very high | 164 Ų | 164 | 39.3 Ų | 39.3 | 77% | 0.766 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -65.7 | -37.7 | 176.4 | -61.6 | -176.2 | 170.8 | 0 | 0 | 112 | D131 F137 | D131-E133 VanDerWaalsContact C-N 3.29Å; D131-E133 PolarHBondContact O-N 2.83Å; E133-F137 WeakPolarHBondContact O-CD2 3.38Å; E133-F137 WeakPolarHBondContact O-CE2 3.41Å |
| 134 | S | 93.8 | Very high | 92.6 | Very high | 6 Ų | 6 | 36.9 Ų | 36.9 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -75.9 | -27.5 | -179.5 | -65.7 | 0 | 0 | 0 | 0 | 112.2 | Q95 V96 D131 Q132 E136 F137 V138 | Q95-S134 WeakPolarHBondContact CA-OG 3.33Å; V96-S134 PolarHBondContact N-OG 3.34Å; D131-S134 CarbonylContact O-C 3.51Å; D131-S134 PolarHBondContact O-N 3.38Å; Q132-S134 VanDerWaalsContact C-N 3.34Å; S134-E136 VanDerWaalsContact C-N 3.28Å; S134-E136 PolarHBondContact O-N 3.18Å; S134-F137 WeakPolarHBondContact O-CB 3.42Å; S134-F137 PolarHBondContact O-N 2.95Å; S134-V138 WeakPolarHBondContact O-CG2 3.41Å; S134-V138 PolarHBondContact O-N 3.08Å |
| 135 | L | 93.2 | Very high | 93.1 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57 | -41.4 | -179.1 | -174.6 | 69.8 | 0 | 0 | 0 | 112 | R119 F121 V130 D131 Q132 F137 V138 K139 | R119-L135 HydrophobicContact CB-CD1 4.41Å; R119-L135 HydrophobicContact CG-CD1 4.47Å; R119-L135 HydrophobicContact CG-CD2 3.79Å; F121-L135 HydrophobicContact CE2-CD1 4.04Å; F121-L135 HydrophobicContact CZ-CD1 3.83Å; V130-L135 HydrophobicContact CB-CD1 4.46Å; V130-L135 HydrophobicContact CG1-CB 4.15Å; V130-L135 HydrophobicContact CG1-CD1 4.22Å; D131-L135 PolarHBondContact O-N 3.15Å; Q132-L135 WeakPolarHBondContact O-CB 3.42Å; Q132-L135 PolarHBondContact O-N 2.8Å; L135-F137 PolarHBondContact O-N 2.98Å; L135-V138 PolarHBondContact O-N 2.94Å; L135-V138 VanDerWaalsContact O-N 3.15Å; L135-K139 WeakPolarHBondContact O-CB 3.49Å; L135-K139 PolarHBondContact O-N 2.72Å |
| 136 | E | 91.8 | Very high | 93.3 | Very high | 120 Ų | 120 | 31.8 Ų | 31.8 | 56% | 0.561 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -60.4 | -28.3 | 179.6 | -63.8 | -168.1 | 174.4 | 0 | 0 | 112.7 | S134 Q161 | S134-E136 VanDerWaalsContact C-N 3.28Å; S134-E136 PolarHBondContact O-N 3.18Å; E136-Q161 WeakPolarHBondContact O-CG 3.37Å |
| 137 | F | 93 | Very high | 93.4 | Very high | 50 Ų | 50 | 37.7 Ų | 37.7 | 22% | 0.219 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -90.3 | -22.6 | 179.3 | -60.1 | -70.6 | 0 | 0 | 0 | 113.7 | V96 F104 E133 S134 L135 N159 F172 V174 | V96-F137 HydrophobicContact CB-CB 4.38Å; V96-F137 HydrophobicContact CB-CD2 4.12Å; V96-F137 HydrophobicContact CB-CG 4.45Å; V96-F137 HydrophobicContact CG1-CB 4.31Å; V96-F137 HydrophobicContact CG1-CD2 4.1Å; V96-F137 HydrophobicContact CG1-CG 4.16Å; V96-F137 HydrophobicContact CG2-CB 3.92Å; F104-F137 HydrophobicContact CE1-CE1 4.35Å; F104-F137 HydrophobicContact CE1-CZ 4.23Å; F104-F137 HydrophobicContact CZ-CE1 4.36Å; E133-F137 WeakPolarHBondContact O-CD2 3.38Å; E133-F137 WeakPolarHBondContact O-CE2 3.41Å; S134-F137 WeakPolarHBondContact O-CB 3.42Å; S134-F137 PolarHBondContact O-N 2.95Å; L135-F137 PolarHBondContact O-N 2.98Å; F137-N159 PolarHBondContact O-ND2 2.9Å; F137-N159 PolarHBondContact O-OD1 3.1Å; F137-F172 HydrophobicContact CB-CZ 4.04Å; F137-F172 HydrophobicContact CD1-CZ 4.5Å; F137-V174 HydrophobicContact CD1-CG1 4.42Å; F137-V174 HydrophobicContact CD1-CG2 3.55Å; F137-V174 HydrophobicContact CE1-CG1 4.24Å; F137-V174 HydrophobicContact CE1-CG2 3.59Å |
| 138 | V | 93.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -111.8 | 0.1 | -176 | -56.4 | 0 | 0 | 0 | 0 | 113.8 | V72 I94 V96 Y106 V130 S134 L135 G140 S141 | V72-V138 HydrophobicContact CG2-CG2 4.06Å; I94-V138 HydrophobicContact CG2-CG1 4.35Å; V96-V138 HydrophobicContact CG2-CG1 3.96Å; Y106-V138 HydrophobicContact CD1-CG1 4.36Å; Y106-V138 HydrophobicContact CE1-CG1 3.94Å; V130-V138 HydrophobicContact CG1-CG2 3.53Å; V130-V138 HydrophobicContact CG2-CG2 4.39Å; S134-V138 WeakPolarHBondContact O-CG2 3.41Å; S134-V138 PolarHBondContact O-N 3.08Å; L135-V138 PolarHBondContact O-N 2.94Å; L135-V138 VanDerWaalsContact O-N 3.15Å; V138-G140 PolarHBondContact O-N 2.92Å; V138-S141 WeakPolarHBondContact O-CB 3.32Å; V138-S141 PolarHBondContact O-N 2.8Å; V138-S141 PolarHBondContact O-OG 3.2Å |
| 139 | K | 92.9 | Very high | 93.5 | Very high | 64 Ų | 64 | 51.5 Ų | 51.5 | 28% | 0.278 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 130.6 | 177.7 | 65.5 | -179 | 177.7 | -174.4 | 0 | 111.7 | L135 S141 P160 Q161 | L135-K139 WeakPolarHBondContact O-CB 3.49Å; L135-K139 PolarHBondContact O-N 2.72Å; K139-S141 PolarHBondContact O-N 2.86Å; K139-P160 WeakPolarHBondContact O-CD 3.23Å; K139-P160 WeakPolarHBondContact O-CG 3.45Å; K139-Q161 HydrophobicContact CD-CG 4.45Å; K139-Q161 HydrophobicContact CG-CG 3.65Å |
| 140 | G | 92.4 | Very high | 93.4 | Very high | 29 Ų | 29 | 59.1 Ų | 59.1 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | -1.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | K71 V138 | K71-G140 WeakPolarHBondContact O-CA 3.3Å; K71-G140 PolarHBondContact O-N 2.91Å; V138-G140 PolarHBondContact O-N 2.92Å |
| 141 | S | 94.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.007 | 32% | 0.318 | C | S | . | . | trans | -77 | 162.4 | -178.9 | 74 | 0 | 0 | 0 | 0 | 112.7 | H73 V138 K139 V156 | H73-S141 PolarHBondContact N-O 3.42Å; V138-S141 WeakPolarHBondContact O-CB 3.32Å; V138-S141 PolarHBondContact O-N 2.8Å; V138-S141 PolarHBondContact O-OG 3.2Å; K139-S141 PolarHBondContact O-N 2.86Å; S141-V156 VanDerWaalsContact CB-CG1 3.49Å; S141-V156 WeakPolarHBondContact OG-CG1 3.47Å | ||
| 142 | T | 93.9 | Very high | 93.2 | Very high | 30 Ų | 30 | 66 Ų | 66 | 18% | 0.184 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 116.7 | 175.3 | -56.1 | 0 | 0 | 0 | 0 | 110.3 | H73 T75 L157 | H73-T142 HydrophobicContact CB-CG2 4.2Å; H73-T142 CarbonylContact O-C 3.56Å; H73-T142 VanDerWaalsContact O-CA 3.29Å; H73-T142 WeakPolarHBondContact O-CA 3.42Å; T75-T142 HydrophobicContact CG2-CG2 3.64Å; T142-L157 PolarHBondContact N-O 2.77Å; T142-L157 PolarHBondContact O-N 3.47Å |
| 143 | V | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 126.8 | 175.6 | -174 | 0 | 0 | 0 | 0 | 109.4 | V72 H73 T75 I94 I128 | V72-V143 HydrophobicContact CG1-CG2 3.65Å; H73-V143 PolarHBondContact O-N 3.4Å; T75-V143 PolarHBondContact N-O 3.29Å; I94-V143 HydrophobicContact CD1-CG1 4.48Å; I94-V143 HydrophobicContact CD1-CG2 3.61Å; I128-V143 HydrophobicContact CD1-CG1 4.45Å |
| 144 | D | 94.7 | Very high | 93.3 | Very high | 27 Ų | 27 | 58 Ų | 58 | 14% | 0.144 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 161.5 | -179.6 | -170.8 | 37.7 | 0 | 0 | 0 | 111.3 | T75 F154 Q155 L157 | T75-D144 VanDerWaalsContact CB-OD1 3.31Å; T75-D144 WeakPolarHBondContact CB-OD1 3.43Å; T75-D144 HydrophobicContact CG2-CB 3.7Å; T75-D144 WeakPolarHBondContact CG2-OD1 3.11Å; T75-D144 PolarHBondContact OG1-OD1 3.37Å; D144-F154 WeakPolarHBondContact O-CA 3.45Å; D144-Q155 HydrophobicContact CB-CG 4.02Å; D144-Q155 PolarHBondContact N-O 3.2Å; D144-Q155 PolarHBondContact O-N 3.12Å; D144-Q155 PolarHBondContact OD2-NE2 2.97Å; D144-L157 HydrophobicContact CB-CD1 3.69Å; D144-L157 HydrophobicContact CB-CG 4.13Å |
| 145 | F | 95.1 | Very high | 93.3 | Very high | 20 Ų | 20 | 59.6 Ų | 59.6 | 9% | 0.088 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 116.6 | 173.8 | 176.9 | -101.9 | 0 | 0 | 0 | 109.1 | C78 R81 Q147 F154 | C78-F145 HydrophobicContact CB-CB 4.29Å; R81-F145 HydrophobicContact CB-CB 4.43Å; R81-F145 HydrophobicContact CB-CD1 3.67Å; R81-F145 HydrophobicContact CB-CD2 4.43Å; R81-F145 HydrophobicContact CB-CE1 3.96Å; R81-F145 HydrophobicContact CB-CG 3.92Å; R81-F145 HydrophobicContact CB-CZ 4.46Å; R81-F145 HydrophobicContact CG-CD1 3.7Å; R81-F145 HydrophobicContact CG-CD2 4.04Å; R81-F145 HydrophobicContact CG-CE1 3.49Å; R81-F145 VanDerWaalsContact CG-CE1 3.49Å; R81-F145 HydrophobicContact CG-CE2 3.85Å; R81-F145 HydrophobicContact CG-CG 3.96Å; R81-F145 HydrophobicContact CG-CZ 3.57Å; F145-Q147 HydrophobicContact CE1-CB 3.84Å; F145-Q147 HydrophobicContact CZ-CB 4.41Å; F145-F154 HydrophobicContact CB-CD1 4.01Å; F145-F154 HydrophobicContact CB-CE1 3.99Å; F145-F154 AromaticContact CD2-CD1 3.71Å; F145-F154 HydrophobicContact CD2-CD1 3.71Å; F145-F154 HydrophobicContact CD2-CD2 4.37Å; F145-F154 AromaticContact CD2-CE1 3.55Å; F145-F154 HydrophobicContact CD2-CE1 3.55Å; F145-F154 HydrophobicContact CD2-CE2 4.23Å; F145-F154 HydrophobicContact CD2-CG 4.12Å; F145-F154 AromaticContact CD2-CZ 3.83Å; F145-F154 HydrophobicContact CD2-CZ 3.83Å; F145-F154 HydrophobicContact CE2-CE1 4.42Å; F145-F154 HydrophobicContact CE2-CE2 4.43Å; F145-F154 HydrophobicContact CE2-CZ 4.26Å; F145-F154 HydrophobicContact CG-CD1 4.32Å; F145-F154 HydrophobicContact CG-CE1 4.09Å |
| 146 | S | 93.2 | Very high | 93.3 | Very high | 28 Ų | 28 | 60 Ų | 60 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 127.4 | 175.7 | -173.8 | 0 | 0 | 0 | 0 | 109.9 | S152 T153 | S146-S152 WeakPolarHBondContact O-CA 3.08Å; S146-T153 PolarHBondContact N-O 2.87Å; S146-T153 PolarHBondContact O-N 2.84Å |
| 147 | Q | 93.1 | Very high | 93.3 | Very high | 137 Ų | 137 | 57.6 Ų | 57.6 | 64% | 0.64 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 105.9 | 173.9 | -178.5 | 168.9 | 18.7 | 0 | 0 | 109.1 | F145 | F145-Q147 HydrophobicContact CE1-CB 3.84Å; F145-Q147 HydrophobicContact CZ-CB 4.41Å |
| 148 | E | 92.3 | Very high | 93.2 | Very high | 116 Ų | 116 | 63.9 Ų | 63.9 | 54% | 0.542 | 32% | 0.324 | S | S | . | . | trans | -99.8 | 170.5 | 171.3 | -63 | 175.2 | -163.9 | 0 | 0 | 109.9 | I150 R151 | E148-I150 PolarHBondContact O-N 2.89Å; E148-R151 CarbonylContact C-O 3.54Å; E148-R151 WeakPolarHBondContact CA-O 3.45Å; E148-R151 PolarHBondContact N-O 3.32Å; E148-R151 PolarHBondContact O-N 3.05Å; E148-R151 VanDerWaalsContact O-O 3.12Å | ||
| 149 | L | 94.8 | Very high | 93.2 | Very high | 182 Ų | 182 | 64.8 Ų | 64.8 | 95% | 0.953 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -58.6 | -34.4 | -177.5 | -154.8 | 91.5 | 0 | 0 | 0 | 113 | ||
| 150 | I | 93.4 | Very high | 93.2 | Very high | 160 Ų | 160 | 65 Ų | 65 | 82% | 0.821 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -111.3 | -10.2 | -174.7 | 61.6 | 164.6 | 0 | 0 | 0 | 113.6 | E148 | E148-I150 PolarHBondContact O-N 2.89Š|
| 151 | R | 90.4 | Very high | 93.1 | Very high | 109 Ų | 109 | 66.3 Ų | 66.3 | 41% | 0.411 | 34% | 0.335 | S | S | . | . | trans | -146.8 | 137.9 | -171.7 | -176.3 | 174.5 | 176.5 | 166.1 | -4.2 | 111 | E148 T153 | E148-R151 CarbonylContact C-O 3.54Å; E148-R151 WeakPolarHBondContact CA-O 3.45Å; E148-R151 PolarHBondContact N-O 3.32Å; E148-R151 PolarHBondContact O-N 3.05Å; E148-R151 VanDerWaalsContact O-O 3.12Å; R151-T153 PolarHBondContact NH2-OG1 3.03Å | ||
| 152 | S | 92.7 | Very high | 93 | Very high | 64 Ų | 64 | 67.6 Ų | 67.6 | 45% | 0.448 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 123.9 | 169.4 | -68.9 | 0 | 0 | 0 | 0 | 107.9 | S146 | S146-S152 WeakPolarHBondContact O-CA 3.08Å |
| 153 | T | 92.7 | Very high | 92.9 | Very high | 37 Ų | 37 | 70.4 Ų | 70.4 | 23% | 0.227 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 144.3 | -172.6 | -155.4 | 0 | 0 | 0 | 0 | 111.2 | S146 R151 | S146-T153 PolarHBondContact N-O 2.87Å; S146-T153 PolarHBondContact O-N 2.84Å; R151-T153 PolarHBondContact NH2-OG1 3.03Å |
| 154 | F | 93.9 | Very high | 92.6 | Very high | 33 Ų | 33 | 76.4 Ų | 76.4 | 15% | 0.145 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 139.7 | 166.2 | -65.4 | -76.9 | 0 | 0 | 0 | 109 | L82 I85 L92 F108 D144 F145 | L82-F154 HydrophobicContact CD2-CE1 3.84Å; L82-F154 HydrophobicContact CD2-CZ 3.67Å; L82-F154 HydrophobicContact CG-CE1 4.18Å; L82-F154 HydrophobicContact CG-CZ 4.4Å; I85-F154 HydrophobicContact CD1-CE2 4.14Å; I85-F154 HydrophobicContact CD1-CZ 3.78Å; L92-F154 HydrophobicContact CD2-CD1 4.42Å; F108-F154 HydrophobicContact CD1-CB 4.14Å; F108-F154 HydrophobicContact CD2-CB 4.01Å; F108-F154 HydrophobicContact CE1-CB 4.04Å; F108-F154 HydrophobicContact CE2-CB 3.9Å; F108-F154 WeakPolarHBondContact CE2-O 3.4Å; F108-F154 HydrophobicContact CG-CB 4.12Å; F108-F154 HydrophobicContact CZ-CB 3.9Å; D144-F154 WeakPolarHBondContact O-CA 3.45Å; F145-F154 HydrophobicContact CB-CD1 4.01Å; F145-F154 HydrophobicContact CB-CE1 3.99Å; F145-F154 AromaticContact CD2-CD1 3.71Å; F145-F154 HydrophobicContact CD2-CD1 3.71Å; F145-F154 HydrophobicContact CD2-CD2 4.37Å; F145-F154 AromaticContact CD2-CE1 3.55Å; F145-F154 HydrophobicContact CD2-CE1 3.55Å; F145-F154 HydrophobicContact CD2-CE2 4.23Å; F145-F154 HydrophobicContact CD2-CG 4.12Å; F145-F154 AromaticContact CD2-CZ 3.83Å; F145-F154 HydrophobicContact CD2-CZ 3.83Å; F145-F154 HydrophobicContact CE2-CE1 4.42Å; F145-F154 HydrophobicContact CE2-CE2 4.43Å; F145-F154 HydrophobicContact CE2-CZ 4.26Å; F145-F154 HydrophobicContact CG-CD1 4.32Å; F145-F154 HydrophobicContact CG-CE1 4.09Å |
| 155 | Q | 93.2 | Very high | 92.2 | Very high | 41 Ų | 41 | 78 Ų | 78 | 19% | 0.192 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 143.6 | -177.2 | 60.6 | -174.7 | 26.3 | 0 | 0 | 109.8 | D144 L157 | D144-Q155 HydrophobicContact CB-CG 4.02Å; D144-Q155 PolarHBondContact N-O 3.2Å; D144-Q155 PolarHBondContact O-N 3.12Å; D144-Q155 PolarHBondContact OD2-NE2 2.97Å; Q155-L157 HydrophobicContact CG-CD2 4.25Å; Q155-L157 HydrophobicContact CG-CG 4.3Å |
| 156 | V | 93.8 | Very high | 91.8 | Very high | 13 Ų | 13 | 78.4 Ų | 78.4 | 8% | 0.079 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 119.6 | 174.8 | -175.4 | 0 | 0 | 0 | 0 | 108.3 | Y106 F108 S141 N159 | Y106-V156 HydrophobicContact CD1-CB 4.42Å; Y106-V156 HydrophobicContact CD1-CG2 3.81Å; Y106-V156 HydrophobicContact CD2-CB 4.23Å; Y106-V156 HydrophobicContact CD2-CG2 4.12Å; Y106-V156 HydrophobicContact CE1-CB 4.08Å; Y106-V156 HydrophobicContact CE1-CG1 4.26Å; Y106-V156 HydrophobicContact CE1-CG2 3.91Å; Y106-V156 HydrophobicContact CE2-CB 3.86Å; Y106-V156 HydrophobicContact CE2-CG2 4.2Å; Y106-V156 HydrophobicContact CG-CB 4.49Å; Y106-V156 HydrophobicContact CG-CG2 3.92Å; F108-V156 HydrophobicContact CE1-CG2 4.37Å; F108-V156 HydrophobicContact CZ-CG2 3.95Å; S141-V156 VanDerWaalsContact CB-CG1 3.49Å; S141-V156 WeakPolarHBondContact OG-CG1 3.47Å; V156-N159 HydrophobicContact CG1-CB 4.33Å |
| 157 | L | 91.6 | Very high | 91.5 | Very high | 69 Ų | 69 | 83.3 Ų | 83.3 | 36% | 0.361 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 157.1 | 179.9 | -57.9 | -178.7 | 0 | 0 | 0 | 110.7 | T142 D144 Q155 N159 | T142-L157 PolarHBondContact N-O 2.77Å; T142-L157 PolarHBondContact O-N 3.47Å; D144-L157 HydrophobicContact CB-CD1 3.69Å; D144-L157 HydrophobicContact CB-CG 4.13Å; Q155-L157 HydrophobicContact CG-CD2 4.25Å; Q155-L157 HydrophobicContact CG-CG 4.3Å; L157-N159 PolarHBondContact O-N 2.84Å; L157-N159 VanDerWaalsContact O-N 3.15Å |
| 158 | K | 91.1 | Very high | 91 | Very high | 182 Ų | 182 | 79.8 Ų | 79.8 | 79% | 0.791 | 44% | 0.439 | S | S | * | . | S | Bend | trans | 50.1 | 41 | 173.3 | -58.3 | -177.7 | 178.4 | -178.7 | 0 | 113.1 | P160 | K158-P160 VanDerWaalsContact O-CD 3.25Å; K158-P160 WeakPolarHBondContact O-CD 3.19Å |
| 159 | N | 92.8 | Very high | 90.6 | Very high | 18 Ų | 18 | 75.6 Ų | 75.6 | 10% | 0.096 | 43% | 0.427 | C | S | . | . | trans | -75.1 | 114.3 | 177.4 | -177.4 | -0 | 0 | 0 | 0 | 110 | Y106 F137 V156 L157 Q161 A162 | Y106-N159 PolarHBondContact OH-ND2 2.7Å; F137-N159 PolarHBondContact O-ND2 2.9Å; F137-N159 PolarHBondContact O-OD1 3.1Å; V156-N159 HydrophobicContact CG1-CB 4.33Å; L157-N159 PolarHBondContact O-N 2.84Å; L157-N159 VanDerWaalsContact O-N 3.15Å; N159-Q161 PolarHBondContact O-N 3.45Å; N159-Q161 WeakPolarHBondContact OD1-CB 3.09Å; N159-Q161 PolarHBondContact OD1-N 2.69Å; N159-A162 HydrophobicContact CB-CB 4Å; N159-A162 PolarHBondContact O-N 3.05Å | ||
| 160 | P | 92.3 | Very high | 90.4 | Very high | 70 Ų | 70 | 68.8 Ų | 68.8 | 46% | 0.455 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -15.3 | 179.1 | 30.4 | -35.7 | 0 | 0 | 0 | 113.8 | K139 K158 | K139-P160 WeakPolarHBondContact O-CD 3.23Å; K139-P160 WeakPolarHBondContact O-CG 3.45Å; K158-P160 VanDerWaalsContact O-CD 3.25Å; K158-P160 WeakPolarHBondContact O-CD 3.19Å |
| 161 | Q | 91.8 | Very high | 90.3 | Very high | 56 Ų | 56 | 61.8 Ų | 61.8 | 26% | 0.262 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -16.2 | 178.8 | -51.1 | -55.3 | -55.1 | 0 | 0 | 112.7 | E136 K139 N159 K175 | E136-Q161 WeakPolarHBondContact O-CG 3.37Å; K139-Q161 HydrophobicContact CD-CG 4.45Å; K139-Q161 HydrophobicContact CG-CG 3.65Å; N159-Q161 PolarHBondContact O-N 3.45Å; N159-Q161 WeakPolarHBondContact OD1-CB 3.09Å; N159-Q161 PolarHBondContact OD1-N 2.69Å; Q161-K175 PolarHBondContact O-N 2.86Å; Q161-K175 VanDerWaalsContact O-N 3.08Å |
| 162 | A | 92.2 | Very high | 90.5 | Very high | 27 Ų | 27 | 56.7 Ų | 56.7 | 22% | 0.223 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 131.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | N159 F172 S173 | N159-A162 HydrophobicContact CB-CB 4Å; N159-A162 PolarHBondContact O-N 3.05Å; A162-F172 HydrophobicContact CB-CB 4.04Å; A162-F172 HydrophobicContact CB-CD2 3.6Å; A162-F172 HydrophobicContact CB-CE2 4.43Å; A162-F172 HydrophobicContact CB-CG 4.12Å; A162-S173 WeakPolarHBondContact CA-O 3.41Å |
| 163 | D | 91.3 | Very high | 90.6 | Very high | 90 Ų | 90 | 55.4 Ų | 55.4 | 48% | 0.481 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -50.1 | 172.6 | -168.3 | 41.1 | 0 | 0 | 0 | 110.4 | S173 K175 | D163-S173 PolarHBondContact N-O 3.44Å; D163-K175 HydrophobicContact CB-CB 4.17Å |
| 164 | H | 88.4 | Confident | 90.5 | Very high | 126 Ų | 126 | 55.6 Ų | 55.6 | 58% | 0.583 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 138.5 | 179.8 | -63.9 | -31.6 | 0 | 0 | 0 | 111.4 | F172 S173 | H164-F172 CarbonylContact O-C 3.47Å; H164-F172 VanDerWaalsContact O-CA 3.23Å; H164-F172 WeakPolarHBondContact O-CA 3.5Å; H164-F172 WeakPolarHBondContact O-CB 3.42Å; H164-S173 PolarHBondContact O-N 3.42Å |
| 165 | G | 87 | Confident | 90.3 | Very high | 61 Ų | 61 | 60.8 Ų | 60.8 | 63% | 0.629 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 148.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 166 | C | 86.9 | Confident | 89.5 | Confident | 28 Ų | 28 | 68.5 Ų | 68.5 | 19% | 0.189 | 41% | 0.405 | C | S | . | . | trans | -70.6 | 149.9 | 169.6 | -175.1 | 0 | 0 | 0 | 0 | 110.5 | C168 G169 S171 | C166-C168 PolarHBondContact O-N 3.5Å; C166-C168 VanDerWaalsContact O-N 3.1Å; C166-C168 PolarHBondContact SG-SG 3.12Å; C166-G169 PolarHBondContact O-N 3.19Å; C166-S171 WeakPolarHBondContact CB-O 3.45Å; C166-S171 PolarHBondContact N-O 3.2Å | ||
| 167 | S | 85.8 | Confident | 89.3 | Confident | 130 Ų | 130 | 71.3 Ų | 71.3 | 91% | 0.909 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -27.2 | -178.7 | 57.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 168 | C | 82.8 | Confident | 89.2 | Confident | 63 Ų | 63 | 71.4 Ų | 71.4 | 43% | 0.426 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 1.8 | 177.1 | 67.3 | 0 | 0 | 0 | 0 | 114.2 | C166 S170 | C166-C168 PolarHBondContact O-N 3.5Å; C166-C168 VanDerWaalsContact O-N 3.1Å; C166-C168 PolarHBondContact SG-SG 3.12Å; C168-S170 PolarHBondContact O-N 3.3Å; C168-S170 PolarHBondContact O-OG 2.78Å |
| 169 | G | 84.5 | Confident | 89.1 | Confident | 28 Ų | 28 | 65.2 Ų | 65.2 | 29% | 0.289 | 40% | 0.404 | S | S | . | . | S | Bend | trans | 66.5 | 6.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | C166 | C166-G169 PolarHBondContact O-N 3.19Š|
| 170 | S | 89.4 | Confident | 88.8 | Confident | 40 Ų | 40 | 68 Ų | 68 | 28% | 0.28 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -94.1 | -14.6 | -174.9 | -49.5 | 0 | 0 | 0 | 0 | 113.4 | Q105 Y106 C168 | Q105-S170 WeakPolarHBondContact CA-O 3.41Å; Y106-S170 PolarHBondContact N-O 3.35Å; Y106-S170 VanDerWaalsContact N-O 3.12Å; C168-S170 PolarHBondContact O-N 3.3Å; C168-S170 PolarHBondContact O-OG 2.78Å |
| 171 | S | 92.5 | Very high | 88.6 | Confident | 12 Ų | 12 | 67.9 Ų | 67.9 | 8% | 0.084 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 155.2 | -177.4 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | F104 C166 | F104-S171 CarbonylContact O-C 3.51Å; F104-S171 WeakPolarHBondContact O-CA 3.4Å; F104-S171 WeakPolarHBondContact O-CB 3.42Å; C166-S171 WeakPolarHBondContact CB-O 3.45Å; C166-S171 PolarHBondContact N-O 3.2Å |
| 172 | F | 94.4 | Very high | 88.4 | Confident | 3 Ų | 3 | 68.7 Ų | 68.7 | 1% | 0.013 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 165.1 | -179.8 | 69.4 | -75.7 | 0 | 0 | 0 | 111.9 | V96 S102 F104 Y106 F137 A162 H164 V174 | V96-F172 HydrophobicContact CG1-CE1 3.98Å; V96-F172 HydrophobicContact CG1-CZ 3.84Å; V96-F172 HydrophobicContact CG2-CE1 4.47Å; V96-F172 HydrophobicContact CG2-CZ 4.43Å; S102-F172 CarbonylContact C-O 3.55Å; F104-F172 HydrophobicContact CB-CD1 4.12Å; F104-F172 HydrophobicContact CB-CE1 3.7Å; F104-F172 HydrophobicContact CB-CE2 4.3Å; F104-F172 HydrophobicContact CB-CZ 3.8Å; F104-F172 HydrophobicContact CG-CZ 4.47Å; F104-F172 PolarHBondContact N-O 3.5Å; F104-F172 PolarHBondContact O-N 3.4Å; Y106-F172 HydrophobicContact CD1-CD1 4.47Å; Y106-F172 AromaticContact CD1-CE1 3.93Å; Y106-F172 HydrophobicContact CD1-CE1 3.93Å; Y106-F172 HydrophobicContact CD2-CD1 4.13Å; Y106-F172 HydrophobicContact CD2-CE1 4.38Å; Y106-F172 AromaticContact CE1-CD1 3.81Å; Y106-F172 HydrophobicContact CE1-CD1 3.81Å; Y106-F172 AromaticContact CE1-CE1 3.32Å; Y106-F172 HydrophobicContact CE1-CE1 3.32Å; Y106-F172 AromaticContact CE1-CZ 3.97Å; Y106-F172 HydrophobicContact CE1-CZ 3.97Å; Y106-F172 AromaticContact CE2-CD1 3.41Å; Y106-F172 HydrophobicContact CE2-CD1 3.41Å; Y106-F172 VanDerWaalsContact CE2-CD1 3.41Å; Y106-F172 AromaticContact CE2-CE1 3.84Å; Y106-F172 HydrophobicContact CE2-CE1 3.84Å; Y106-F172 HydrophobicContact CE2-CG 4.25Å; Y106-F172 HydrophobicContact CG-CE1 4.42Å; Y106-F172 AromaticContact CZ-CD1 3.23Å; Y106-F172 AromaticContact CZ-CE1 3.27Å; Y106-F172 AromaticContact CZ-CG 4Å; Y106-F172 VanDerWaalsContact OH-CD1 3.3Å; Y106-F172 WeakPolarHBondContact OH-CD1 3.49Å; Y106-F172 WeakPolarHBondContact OH-CE1 3.15Å; F137-F172 HydrophobicContact CB-CZ 4.04Å; F137-F172 HydrophobicContact CD1-CZ 4.5Å; A162-F172 HydrophobicContact CB-CB 4.04Å; A162-F172 HydrophobicContact CB-CD2 3.6Å; A162-F172 HydrophobicContact CB-CE2 4.43Å; A162-F172 HydrophobicContact CB-CG 4.12Å; H164-F172 CarbonylContact O-C 3.47Å; H164-F172 VanDerWaalsContact O-CA 3.23Å; H164-F172 WeakPolarHBondContact O-CA 3.5Å; H164-F172 WeakPolarHBondContact O-CB 3.42Å; F172-V174 HydrophobicContact CD2-CG2 4.33Å; F172-V174 HydrophobicContact CE2-CG2 3.69Å; F172-V174 HydrophobicContact CZ-CG2 4.46Å |
| 173 | S | 93.8 | Very high | 88.1 | Confident | 37 Ų | 37 | 71.6 Ų | 71.6 | 26% | 0.259 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 139.1 | 169.8 | -56 | 0 | 0 | 0 | 0 | 109.4 | S102 A162 D163 H164 | S102-S173 PolarHBondContact O-OG 3.4Å; A162-S173 WeakPolarHBondContact CA-O 3.41Å; D163-S173 PolarHBondContact N-O 3.44Å; H164-S173 PolarHBondContact O-N 3.42Å |
| 174 | V | 92.1 | Very high | 87.9 | Confident | 40 Ų | 40 | 70.2 Ų | 70.2 | 24% | 0.242 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 140.6 | 179.9 | 175.5 | 0 | 0 | 0 | 0 | 109.5 | F104 F137 F172 V176 | F104-V174 HydrophobicContact CD2-CB 4.33Å; F104-V174 HydrophobicContact CD2-CG2 3.39Å; F104-V174 HydrophobicContact CE2-CB 4.05Å; F104-V174 HydrophobicContact CE2-CG2 3.4Å; F104-V174 HydrophobicContact CG-CG2 4.12Å; F104-V174 HydrophobicContact CZ-CG2 4.13Å; F137-V174 HydrophobicContact CD1-CG1 4.42Å; F137-V174 HydrophobicContact CD1-CG2 3.55Å; F137-V174 HydrophobicContact CE1-CG1 4.24Å; F137-V174 HydrophobicContact CE1-CG2 3.59Å; F172-V174 HydrophobicContact CD2-CG2 4.33Å; F172-V174 HydrophobicContact CE2-CG2 3.69Å; F172-V174 HydrophobicContact CZ-CG2 4.46Å; V174-V176 PolarHBondContact O-N 3.35Å |
| 175 | K | 88.2 | Confident | 87.9 | Confident | 142 Ų | 142 | 65.6 Ų | 65.6 | 62% | 0.617 | 43% | 0.431 | S | S | * | . | trans | -72.2 | 117.1 | 172.6 | -170.1 | 176 | -178.2 | 177.3 | 0 | 109.6 | Q161 D163 | Q161-K175 PolarHBondContact O-N 2.86Å; Q161-K175 VanDerWaalsContact O-N 3.08Å; D163-K175 HydrophobicContact CB-CB 4.17Å | ||
| 176 | V | 77 | Confident | 87.9 | Confident | 203 Ų | 203 | 66 Ų | 66 | 100% | 1.23 | 41% | 0.413 | S | S | * | . | trans | -91.4 | 0 | 177.1 | -164.4 | 0 | 0 | 0 | 0 | 110.4 | V174 | V174-V176 PolarHBondContact O-N 3.35Š|
Retrieved 176 of 176 residues in 224.1 ms
(Link to these results)