| 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 | 42.9 | Very low | 58.7 | Low | 244 Ų | 244 | 155.4 Ų | 155.4 | 100% | 1.202 | 87% | 0.866 | S | S | * | * | 0 | 126.9 | 0 | -73.8 | 179.6 | 130.8 | 0 | 0 | 108.5 | |||||
| 2 | P | 54.2 | Low | 58 | Low | 115 Ų | 115 | 152.4 Ų | 152.4 | 75% | 0.747 | 86% | 0.864 | S | S | * | * | trans | -109.8 | 172.7 | -169.9 | 39.8 | -30.9 | 0 | 0 | 0 | 114.2 | ||||
| 3 | K | 53.6 | Low | 58.5 | Low | 195 Ų | 195 | 150.4 Ų | 150.4 | 85% | 0.848 | 87% | 0.865 | S | S | * | * | trans | 96.1 | 114.8 | 154.2 | -63.6 | 174.5 | 179.1 | 173.7 | 0 | 118.8 | ||||
| 4 | S | 74.2 | Confident | 57.9 | Low | 131 Ų | 131 | 144.9 Ų | 144.9 | 92% | 0.916 | 86% | 0.857 | S | S | * | * | -142.8 | 120.2 | 127.6 | -57.1 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 5 | K | 63.2 | Low | 58.7 | Low | 200 Ų | 200 | 143.8 Ų | 143.8 | 87% | 0.87 | 86% | 0.86 | S | S | * | * | trans | -90.9 | 138.5 | 164.7 | -92.7 | 178 | 169.8 | 179.8 | 0 | 107.2 | ||||
| 6 | E | 71.2 | Confident | 58.4 | Low | 184 Ų | 184 | 144.9 Ų | 144.9 | 86% | 0.86 | 86% | 0.86 | S | S | * | * | trans | -122.2 | 137.3 | 155.6 | -88.5 | -135.8 | 96.1 | 0 | 0 | 110 | ||||
| 7 | L | 60.8 | Low | 58.7 | Low | 155 Ų | 155 | 142.4 Ų | 142.4 | 81% | 0.812 | 85% | 0.851 | S | S | * | * | trans | -111.8 | 129.2 | 176.4 | -73.1 | 165.2 | 0 | 0 | 0 | 107 | ||||
| 8 | V | 61.5 | Low | 59 | Low | 127 Ų | 127 | 142.2 Ų | 142.2 | 77% | 0.77 | 85% | 0.846 | S | S | * | * | trans | -138.2 | 107 | 161 | -69.2 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 9 | S | 55.8 | Low | 58.5 | Low | 118 Ų | 118 | 139.9 Ų | 139.9 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | 83.3 | 126.1 | 84.2 | -65.4 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 10 | S | 51 | Low | 58.6 | Low | 116 Ų | 116 | 142.6 Ų | 142.6 | 81% | 0.811 | 84% | 0.841 | S | S | * | * | trans | -55.3 | 151.7 | -175.7 | 47.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 11 | S | 57 | Low | 58.2 | Low | 124 Ų | 124 | 141.6 Ų | 141.6 | 87% | 0.867 | 84% | 0.836 | S | S | * | * | trans | -149.2 | 131.7 | 142.4 | 51.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 12 | S | 50.6 | Low | 58.9 | Low | 120 Ų | 120 | 137.9 Ų | 137.9 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | trans | -87.3 | 142.9 | 178.1 | 46.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 13 | S | 64.8 | Low | 58.8 | Low | 126 Ų | 126 | 142 Ų | 142 | 88% | 0.881 | 83% | 0.827 | S | S | * | * | trans | -154.6 | 112.2 | 158.8 | -165.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 14 | G | 50.4 | Low | 58.8 | Low | 73 Ų | 73 | 141.7 Ų | 141.7 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | trans | -90.9 | 153.7 | 166 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 15 | S | 69.9 | Low | 57.8 | Low | 129 Ų | 129 | 142.4 Ų | 142.4 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | -157.7 | 126.3 | 162.3 | -148.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 16 | D | 53.5 | Low | 57.1 | Low | 162 Ų | 162 | 142.5 Ų | 142.5 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | trans | -96.2 | -173.1 | -178 | -139.8 | -63.9 | 0 | 0 | 0 | 109.6 | ||||
| 17 | S | 63.3 | Low | 56.3 | Low | 101 Ų | 101 | 145.8 Ų | 145.8 | 71% | 0.706 | 82% | 0.824 | S | S | * | * | trans | 94 | 133.2 | 179.4 | -89.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 18 | D | 63.9 | Low | 55.8 | Low | 140 Ų | 140 | 147.3 Ų | 147.3 | 75% | 0.749 | 82% | 0.824 | S | S | * | * | cis | -156 | 151.9 | 16.2 | -126.8 | -71.2 | 0 | 0 | 0 | 110.7 | ||||
| 19 | S | 50.5 | Low | 55.5 | Low | 99 Ų | 99 | 150.9 Ų | 150.9 | 69% | 0.692 | 83% | 0.829 | S | S | * | * | trans | -84.2 | 149.8 | 175.2 | 44.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 20 | E | 59.7 | Low | 55.4 | Low | 192 Ų | 192 | 153 Ų | 153 | 90% | 0.897 | 83% | 0.825 | S | S | * | * | trans | -157.3 | 139.7 | 144.2 | -92.1 | -113.2 | 105.5 | 0 | 0 | 111.3 | ||||
| 21 | V | 50.5 | Low | 55.6 | Low | 122 Ų | 122 | 153.6 Ų | 153.6 | 74% | 0.739 | 82% | 0.824 | S | S | * | * | trans | -99 | 139.5 | -173.1 | -94.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 22 | D | 57.9 | Low | 55.7 | Low | 166 Ų | 166 | 151.9 Ų | 151.9 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | trans | -158.6 | 127.9 | 139.6 | -121.2 | -50 | 0 | 0 | 0 | 114.3 | ||||
| 23 | K | 51.4 | Low | 55.5 | Low | 203 Ų | 203 | 152.2 Ų | 152.2 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | trans | -103.6 | 119.1 | 175.9 | -88.6 | 174.4 | 174.3 | 167.9 | 0 | 107.5 | ||||
| 24 | K | 53.6 | Low | 55 | Low | 187 Ų | 187 | 154.7 Ų | 154.7 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | trans | -149.3 | 101.9 | 159.9 | -150.6 | 162.7 | -176.4 | 174 | 0 | 115.4 | ||||
| 25 | L | 53.6 | Low | 55.6 | Low | 147 Ų | 147 | 160.1 Ų | 160.1 | 77% | 0.77 | 82% | 0.818 | S | S | * | * | 50.2 | 110.1 | 129.5 | -56.9 | 169.6 | 0 | 0 | 0 | 120.6 | |||||
| 26 | K | 49.1 | Very low | 54.4 | Low | 201 Ų | 201 | 160 Ų | 160 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | 18.1 | 119.1 | 130 | -71.2 | -179.6 | 174.9 | 176.5 | 0 | 117.7 | ||||
| 27 | R | 53 | Low | 54.6 | Low | 254 Ų | 254 | 158.4 Ų | 158.4 | 96% | 0.958 | 81% | 0.809 | S | S | * | * | trans | -153.8 | 121.7 | 131.2 | -142.4 | 165.8 | 161.3 | 178.3 | -6.3 | 112.8 | ||||
| 28 | K | 50.1 | Low | 54 | Low | 187 Ų | 187 | 162.8 Ų | 162.8 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | trans | -85.5 | 129.1 | 177.4 | -157.5 | 177.2 | -173.6 | -177.6 | 0 | 107.5 | ||||
| 29 | K | 55.9 | Low | 53.2 | Low | 202 Ų | 202 | 164.5 Ų | 164.5 | 88% | 0.878 | 82% | 0.816 | S | S | * | * | trans | -141.1 | 110.9 | 160.1 | -161.7 | 163.6 | -176.2 | 178.5 | 0 | 110.3 | ||||
| 30 | Q | 54 | Low | 53.3 | Low | 161 Ų | 161 | 167.3 Ų | 167.3 | 75% | 0.752 | 82% | 0.819 | S | S | * | * | trans | -77.8 | 140 | 166 | -65.5 | 164.6 | -22 | 0 | 0 | 109.1 | ||||
| 31 | V | 56.1 | Low | 52.8 | Low | 129 Ų | 129 | 167 Ų | 167 | 78% | 0.782 | 81% | 0.814 | S | S | * | * | trans | -164.4 | 96.3 | 141 | -173.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 32 | A | 57.8 | Low | 52.4 | Low | 89 Ų | 89 | 167.9 Ų | 167.9 | 74% | 0.736 | 82% | 0.82 | S | S | * | * | 68.6 | 123.5 | 104 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 33 | P | 46.2 | Very low | 51.8 | Low | 127 Ų | 127 | 163.7 Ų | 163.7 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | -103.1 | 144.6 | 177.3 | 37 | -28.2 | 0 | 0 | 0 | 113.1 | ||||
| 34 | E | 55.5 | Low | 51.8 | Low | 177 Ų | 177 | 162.9 Ų | 162.9 | 83% | 0.827 | 82% | 0.816 | S | S | * | * | trans | -137.3 | 112.9 | 169.3 | -73 | -157.8 | 116.6 | 0 | 0 | 114.1 | ||||
| 35 | K | 63 | Low | 51.6 | Low | 188 Ų | 188 | 160 Ų | 160 | 82% | 0.817 | 81% | 0.814 | S | S | * | * | trans | 55.9 | 139 | 136.1 | -69.1 | 176.2 | 179.9 | 168.4 | 0 | 123.8 | ||||
| 36 | P | 44.7 | Very low | 51.6 | Low | 126 Ų | 126 | 157.7 Ų | 157.7 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -98.1 | 159.9 | -177.8 | 39.8 | -34.5 | 0 | 0 | 0 | 114.6 | ||||
| 37 | V | 57.8 | Low | 51.9 | Low | 128 Ų | 128 | 159.5 Ų | 159.5 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | -136.3 | 124.4 | 177.5 | -177.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 38 | K | 50.5 | Low | 51.7 | Low | 193 Ų | 193 | 151.7 Ų | 151.7 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | 41 | 121.2 | 151.4 | -70.4 | 174 | 172.8 | 174.4 | 0 | 120.7 | ||||
| 39 | K | 46.6 | Very low | 51.5 | Low | 176 Ų | 176 | 152 Ų | 152 | 77% | 0.765 | 81% | 0.81 | S | S | * | * | 70.8 | 116.1 | 75.5 | -95.2 | -170.8 | 171.8 | 177.3 | 0 | 116.7 | |||||
| 40 | Q | 53.6 | Low | 51.2 | Low | 158 Ų | 158 | 147 Ų | 147 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | 89.4 | 120.4 | 129.7 | -76.9 | -179.2 | -57.4 | 0 | 0 | 122.3 | |||||
| 41 | K | 47.9 | Very low | 51 | Low | 185 Ų | 185 | 145 Ų | 145 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | 134.1 | 108.7 | 127.3 | -85 | -171.8 | 172.3 | -178.6 | 0 | 112.4 | |||||
| 42 | T | 41.9 | Very low | 50.8 | Low | 142 Ų | 142 | 144 Ų | 144 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | 74 | 119.3 | 94.5 | -37.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 43 | G | 46.3 | Very low | 50.1 | Low | 78 Ų | 78 | 149.9 Ų | 149.9 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | 169.3 | 86.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 44 | E | 50.2 | Low | 50.2 | Low | 185 Ų | 185 | 152.2 Ų | 152.2 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | trans | -63.2 | 136.5 | 171.3 | -161.4 | 171.8 | 106 | 0 | 0 | 110.7 | ||||
| 45 | T | 50.4 | Low | 49.3 | Very low | 126 Ų | 126 | 149.4 Ų | 149.4 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | 165.5 | 118.4 | 132.7 | 38.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 46 | S | 53.8 | Low | 48.3 | Very low | 100 Ų | 100 | 143.6 Ų | 143.6 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | trans | -2.7 | 125.5 | 152 | 46.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 47 | R | 54.9 | Low | 48 | Very low | 239 Ų | 239 | 142.2 Ų | 142.2 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | 167.1 | 141.4 | 116.5 | -89.8 | 161.1 | -179 | 166.8 | 1.4 | 113 | |||||
| 48 | A | 48 | Very low | 47.8 | Very low | 89 Ų | 89 | 141.6 Ų | 141.6 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | 68.2 | 90.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | S50 | A48-S50 VanDerWaalsContact C-N 3.26Å; A48-S50 PolarHBondContact O-N 3.48Å | ||
| 49 | L | 46.3 | Very low | 48 | Very low | 193 Ų | 193 | 142.5 Ų | 142.5 | 100% | 1.01 | 79% | 0.789 | S | S | * | * | trans | -67.8 | 86 | 153.5 | -70.2 | 163.7 | 0 | 0 | 0 | 108.5 | ||||
| 50 | S | 50.5 | Low | 48.9 | Very low | 97 Ų | 97 | 138.1 Ų | 138.1 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | -102.2 | 123.8 | 164.5 | 67 | 0 | 0 | 0 | 0 | 109 | A48 S52 | A48-S50 VanDerWaalsContact C-N 3.26Å; A48-S50 PolarHBondContact O-N 3.48Å; S50-S52 PolarHBondContact O-N 3.19Å | ||
| 51 | S | 50 | Low | 50 | Low | 121 Ų | 121 | 136.9 Ų | 136.9 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | -46 | 100.6 | 173.2 | 42.2 | 0 | 0 | 0 | 0 | 112.8 | K53 | S51-K53 VanDerWaalsContact C-N 3.34Å; S51-K53 PolarHBondContact O-N 3.17Å | ||
| 52 | S | 51 | Low | 52.1 | Low | 108 Ų | 108 | 132.1 Ų | 132.1 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | -76 | 90.8 | 169.1 | 44.3 | 0 | 0 | 0 | 0 | 109.9 | S50 Q54 | S50-S52 PolarHBondContact O-N 3.19Å; S52-Q54 PolarHBondContact O-N 2.96Å; S52-Q54 VanDerWaalsContact O-N 3.13Å | ||
| 53 | K | 42.9 | Very low | 54.7 | Low | 211 Ų | 211 | 127.9 Ų | 127.9 | 92% | 0.917 | 73% | 0.726 | S | S | * | * | trans | -35.1 | 103.5 | 149.5 | -156.3 | 175.2 | -167.6 | 177.8 | 0 | 110 | S51 | S51-K53 VanDerWaalsContact C-N 3.34Å; S51-K53 PolarHBondContact O-N 3.17Å | ||
| 54 | Q | 48.2 | Very low | 57 | Low | 176 Ų | 176 | 129.5 Ų | 129.5 | 82% | 0.822 | 71% | 0.711 | S | S | * | * | trans | -109.1 | 106.2 | 170.7 | -155.8 | 169.9 | -31.5 | 0 | 0 | 108.2 | S52 S56 | S52-Q54 PolarHBondContact O-N 2.96Å; S52-Q54 VanDerWaalsContact O-N 3.13Å; Q54-S56 PolarHBondContact O-N 3.37Å | ||
| 55 | S | 37.4 | Very low | 59.3 | Low | 118 Ų | 118 | 126.5 Ų | 126.5 | 83% | 0.825 | 70% | 0.697 | S | S | * | * | trans | -66.1 | 114.6 | 172.8 | 49 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 56 | S | 41.1 | Very low | 61.5 | Low | 67 Ų | 67 | 125.4 Ų | 125.4 | 47% | 0.469 | 69% | 0.686 | S | S | . | * | trans | -142.2 | 89.2 | 161.1 | 51.1 | 0 | 0 | 0 | 0 | 110.7 | Q54 D60 | Q54-S56 PolarHBondContact O-N 3.37Å; S56-D60 PolarHBondContact OG-OD2 2.84Å | ||
| 57 | S | 39.7 | Very low | 63.5 | Low | 97 Ų | 97 | 122 Ų | 122 | 68% | 0.678 | 67% | 0.666 | S | S | * | * | trans | 44.2 | 89.5 | 146.1 | 61.2 | 0 | 0 | 0 | 0 | 118.7 | R59 | S57-R59 PolarHBondContact O-N 2.85Š| ||
| 58 | S | 52.2 | Low | 65.4 | Low | 114 Ų | 114 | 119.4 Ų | 119.4 | 80% | 0.797 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 38 | -6.9 | 151 | -70.5 | 0 | 0 | 0 | 0 | 122.6 | ||
| 59 | R | 55.6 | Low | 67.7 | Low | 213 Ų | 213 | 117.4 Ų | 117.4 | 80% | 0.804 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -89.7 | -19.4 | 178.2 | -76.2 | -176.2 | 164.1 | 173.1 | -2.1 | 111.3 | S57 | S57-R59 PolarHBondContact O-N 2.85Š|
| 60 | D | 64.7 | Low | 70.2 | Confident | 84 Ų | 84 | 114.9 Ų | 114.9 | 45% | 0.449 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -90.2 | -22.3 | -170.1 | -61.9 | -34.9 | 0 | 0 | 0 | 113.6 | S56 N62 M63 | S56-D60 PolarHBondContact OG-OD2 2.84Å; D60-N62 PolarHBondContact O-N 3.16Å; D60-M63 PolarHBondContact O-N 3.49Å; D60-M63 VanDerWaalsContact O-N 3.07Å |
| 61 | D | 76.7 | Confident | 72.4 | Confident | 131 Ų | 131 | 112.3 Ų | 112.3 | 70% | 0.701 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -23.8 | -172.6 | -65.9 | -33.4 | 0 | 0 | 0 | 113.6 | ||
| 62 | N | 93.1 | Very high | 74.7 | Confident | 86 Ų | 86 | 107.6 Ų | 107.6 | 46% | 0.46 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.9 | 21.7 | -179.9 | -63.4 | -59.4 | 0 | 0 | 0 | 113 | D60 S73 V74 | D60-N62 PolarHBondContact O-N 3.16Å; N62-S73 CarbonylContact O-C 3.55Å; N62-S73 WeakPolarHBondContact O-CA 3.5Å; N62-V74 HydrophobicContact CB-CB 4.14Å; N62-V74 WeakPolarHBondContact CB-O 3.42Å; N62-V74 PolarHBondContact O-N 2.78Å |
| 63 | M | 94.8 | Very high | 76.9 | Confident | 53 Ų | 53 | 102.8 Ų | 102.8 | 26% | 0.261 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 109.1 | -178.9 | -169.6 | 74.4 | 70.8 | 0 | 0 | 110.3 | D60 Y71 S73 Y88 | D60-M63 PolarHBondContact O-N 3.49Å; D60-M63 VanDerWaalsContact O-N 3.07Å; M63-Y71 HydrophobicContact CG-CD1 3.58Å; M63-Y71 HydrophobicContact CG-CE1 4.34Å; M63-Y71 HydrophobicContact CG-CG 4.03Å; M63-Y71 WeakPolarHBondContact SD-CB 3.23Å; M63-Y71 HydrophobicContact SD-CD1 4.11Å; M63-Y71 HydrophobicContact SD-CG 3.92Å; M63-S73 VanDerWaalsContact SD-CB 3.56Å; M63-Y88 WeakPolarHBondContact CE-OH 3.27Å |
| 64 | F | 96.6 | Very high | 79.5 | Confident | 111 Ų | 111 | 95.2 Ų | 95.2 | 49% | 0.487 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 113.3 | -178 | -51.8 | -81.9 | 0 | 0 | 0 | 110.2 | Y71 V72 V74 | F64-Y71 CarbonylContact O-C 3.54Å; F64-Y71 VanDerWaalsContact O-CA 3.32Å; F64-Y71 WeakPolarHBondContact O-CA 3.12Å; F64-V72 HydrophobicContact CB-CB 4.35Å; F64-V72 WeakPolarHBondContact CD2-O 3.39Å; F64-V72 PolarHBondContact N-O 2.99Å; F64-V72 PolarHBondContact O-N 2.99Å; F64-V74 HydrophobicContact CE2-CG2 4.1Å |
| 65 | Q | 96.7 | Very high | 81.7 | Confident | 122 Ų | 122 | 91.4 Ų | 91.4 | 57% | 0.57 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 127.4 | 179.8 | -170 | 173.6 | 12.8 | 0 | 0 | 111.4 | G67 Y71 | Q65-G67 WeakPolarHBondContact CG-O 3.24Å; Q65-G67 PolarHBondContact NE2-O 3.04Å; Q65-Y71 HydrophobicContact CB-CD1 3.77Å; Q65-Y71 HydrophobicContact CB-CE1 3.64Å; Q65-Y71 HydrophobicContact CG-CD1 4.03Å; Q65-Y71 HydrophobicContact CG-CE1 3.63Å |
| 66 | I | 97.3 | Very high | 84.5 | Confident | 104 Ų | 104 | 91 Ų | 91 | 53% | 0.533 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 0.6 | 176.9 | 60.9 | 165.9 | 0 | 0 | 0 | 112.9 | R70 V72 I85 | I66-R70 HydrophobicContact CD1-CB 4.33Å; I66-R70 HydrophobicContact CG1-CB 3.83Å; I66-R70 WeakPolarHBondContact CG1-O 3.41Å; I66-R70 PolarHBondContact N-O 2.6Å; I66-V72 HydrophobicContact CD1-CG2 3.94Å; I66-V72 HydrophobicContact CG1-CG2 4.38Å; I66-V72 HydrophobicContact CG2-CG2 3.85Å; I66-I85 HydrophobicContact CD1-CG2 4.14Å |
| 67 | G | 95.8 | Very high | 87 | Confident | 28 Ų | 28 | 92.4 Ų | 92.4 | 29% | 0.289 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.2 | -179.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q65 M69 R70 | Q65-G67 WeakPolarHBondContact CG-O 3.24Å; Q65-G67 PolarHBondContact NE2-O 3.04Å; G67-M69 VanDerWaalsContact C-N 3.26Å; G67-M69 PolarHBondContact O-N 3.07Å; G67-R70 PolarHBondContact N-O 3.13Å; G67-R70 PolarHBondContact O-N 3.47Å |
| 68 | K | 95.5 | Very high | 89.6 | Confident | 185 Ų | 185 | 96.5 Ų | 96.5 | 80% | 0.804 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -44.4 | -175.9 | -174.5 | 179.6 | 178.4 | 178.4 | 0 | 113.1 | ||
| 69 | M | 96.1 | Very high | 91.7 | Very high | 46 Ų | 46 | 94.2 Ų | 94.2 | 23% | 0.227 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.7 | 27.6 | -178.3 | -61.4 | -61.7 | -69.1 | 0 | 0 | 111.1 | G67 E87 Y88 W89 M90 M96 | G67-M69 VanDerWaalsContact C-N 3.26Å; G67-M69 PolarHBondContact O-N 3.07Å; M69-E87 CarbonylContact O-C 3.5Å; M69-E87 VanDerWaalsContact O-CA 3.29Å; M69-E87 WeakPolarHBondContact O-CA 3.47Å; M69-Y88 WeakPolarHBondContact CB-O 3.5Å; M69-Y88 WeakPolarHBondContact CE-O 3.06Å; M69-Y88 PolarHBondContact O-N 3.05Å; M69-W89 VanDerWaalsContact CE-CA 3.46Å; M69-M90 HydrophobicContact CE-CG 3.86Å; M69-M96 HydrophobicContact CE-CE 3.54Å; M69-M96 HydrophobicContact CE-SD 3.48Å; M69-M96 WeakPolarHBondContact CE-SD 3.18Å; M69-M96 HydrophobicContact SD-CE 3.85Å; M69-M96 HydrophobicContact SD-SD 4.07Å |
| 70 | R | 97.8 | Very high | 93.7 | Very high | 141 Ų | 141 | 91.3 Ų | 91.3 | 53% | 0.532 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 129.7 | -175.6 | -69 | -177.8 | 178.4 | 176.1 | -0 | 110 | I66 G67 R86 E87 | I66-R70 HydrophobicContact CD1-CB 4.33Å; I66-R70 HydrophobicContact CG1-CB 3.83Å; I66-R70 WeakPolarHBondContact CG1-O 3.41Å; I66-R70 PolarHBondContact N-O 2.6Å; G67-R70 PolarHBondContact N-O 3.13Å; G67-R70 PolarHBondContact O-N 3.47Å; R70-R86 WeakPolarHBondContact CA-O 3.41Å; R70-E87 HydrophobicContact CG-CB 4.33Å; R70-E87 HydrophobicContact CG-CG 4.42Å; R70-E87 IonicContact CZ-OE2 3.92Å; R70-E87 IonicContact NE-OE2 3.53Å; R70-E87 IonicContact NH2-OE2 3.36Å; R70-E87 PolarHBondContact NH2-OE2 2.96Å |
| 71 | Y | 97.5 | Very high | 95.2 | Very high | 43 Ų | 43 | 90.8 Ų | 90.8 | 17% | 0.169 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 149.3 | -175.5 | -59 | -97.8 | 0 | 0 | 0 | 110.7 | M63 F64 Q65 R86 Y88 M96 | M63-Y71 HydrophobicContact CG-CD1 3.58Å; M63-Y71 HydrophobicContact CG-CE1 4.34Å; M63-Y71 HydrophobicContact CG-CG 4.03Å; M63-Y71 WeakPolarHBondContact SD-CB 3.23Å; M63-Y71 HydrophobicContact SD-CD1 4.11Å; M63-Y71 HydrophobicContact SD-CG 3.92Å; F64-Y71 CarbonylContact O-C 3.54Å; F64-Y71 VanDerWaalsContact O-CA 3.32Å; F64-Y71 WeakPolarHBondContact O-CA 3.12Å; Q65-Y71 HydrophobicContact CB-CD1 3.77Å; Q65-Y71 HydrophobicContact CB-CE1 3.64Å; Q65-Y71 HydrophobicContact CG-CD1 4.03Å; Q65-Y71 HydrophobicContact CG-CE1 3.63Å; Y71-R86 PolarHBondContact N-O 3Å; Y71-R86 PolarHBondContact O-N 3.48Å; Y71-Y88 AromaticContact CD2-CD2 3.61Å; Y71-Y88 HydrophobicContact CD2-CD2 3.61Å; Y71-Y88 HydrophobicContact CD2-CE2 4.05Å; Y71-Y88 HydrophobicContact CD2-CG 4.16Å; Y71-Y88 HydrophobicContact CE2-CD2 4.39Å; Y71-Y88 HydrophobicContact CG-CD2 4.42Å; Y71-Y88 HydrophobicContact CG-CE2 4.44Å; Y71-M96 HydrophobicContact CE2-CE 3.53Å |
| 72 | V | 98 | Very high | 96.2 | Very high | 21 Ų | 21 | 85.9 Ų | 85.9 | 13% | 0.127 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 124.7 | 163.2 | -177.2 | 0 | 0 | 0 | 0 | 106.7 | F64 I66 I83 D84 I85 | F64-V72 HydrophobicContact CB-CB 4.35Å; F64-V72 WeakPolarHBondContact CD2-O 3.39Å; F64-V72 PolarHBondContact N-O 2.99Å; F64-V72 PolarHBondContact O-N 2.99Å; I66-V72 HydrophobicContact CD1-CG2 3.94Å; I66-V72 HydrophobicContact CG1-CG2 4.38Å; I66-V72 HydrophobicContact CG2-CG2 3.85Å; V72-I83 HydrophobicContact CG1-CG2 3.74Å; V72-D84 CarbonylContact C-O 3.53Å; V72-D84 VanDerWaalsContact CA-O 3.27Å; V72-D84 WeakPolarHBondContact CA-O 3.5Å; V72-I85 HydrophobicContact CG1-CG1 4.31Å; V72-I85 HydrophobicContact CG2-CG1 4.15Å; V72-I85 HydrophobicContact CG2-CG2 4.35Å |
| 73 | S | 97 | Very high | 96.5 | Very high | 8 Ų | 8 | 82.2 Ų | 82.2 | 6% | 0.056 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 142.1 | 177.5 | 69.7 | 0 | 0 | 0 | 0 | 111.9 | N62 M63 I83 D84 | N62-S73 CarbonylContact O-C 3.55Å; N62-S73 WeakPolarHBondContact O-CA 3.5Å; M63-S73 VanDerWaalsContact SD-CB 3.56Å; S73-I83 CarbonylContact O-C 3.51Å; S73-I83 WeakPolarHBondContact O-CA 3.35Å; S73-D84 PolarHBondContact N-O 2.93Å; S73-D84 PolarHBondContact O-N 2.86Å; S73-D84 WeakPolarHBondContact OG-CB 3.42Å |
| 74 | V | 97.4 | Very high | 96.6 | Very high | 51 Ų | 51 | 79.9 Ų | 79.9 | 31% | 0.309 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 119.7 | 170.8 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | N62 F64 V81 I83 | N62-V74 HydrophobicContact CB-CB 4.14Å; N62-V74 WeakPolarHBondContact CB-O 3.42Å; N62-V74 PolarHBondContact O-N 2.78Å; F64-V74 HydrophobicContact CE2-CG2 4.1Å; V74-V81 HydrophobicContact CG1-CG1 4.05Å; V74-I83 HydrophobicContact CG2-CG1 4.41Å |
| 75 | R | 94.8 | Very high | 96.7 | Very high | 96 Ų | 96 | 76.9 Ų | 76.9 | 36% | 0.362 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 152.6 | -177.3 | 66.7 | -174.8 | -177.7 | 96.1 | 2.7 | 112.2 | L82 | R75-L82 PolarHBondContact N-O 2.99Å; R75-L82 PolarHBondContact O-N 3.36Å |
| 76 | D | 95.6 | Very high | 96.7 | Very high | 110 Ų | 110 | 73.3 Ų | 73.3 | 59% | 0.588 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 130.6 | 164.3 | -168.1 | -27.8 | 0 | 0 | 0 | 109.4 | G79 K80 | D76-G79 VanDerWaalsContact OD1-CA 3.24Å; D76-G79 WeakPolarHBondContact OD1-CA 3.48Å; D76-G79 PolarHBondContact OD1-N 3.28Å; D76-K80 PolarHBondContact OD1-N 3.01Å |
| 77 | F | 93.5 | Very high | 96.7 | Very high | 97 Ų | 97 | 71 Ų | 71 | 43% | 0.425 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 113.6 | 170.9 | -174.7 | -108.8 | 0 | 0 | 0 | 110.5 | G79 K80 L82 | F77-G79 VanDerWaalsContact C-N 3.28Å; F77-G79 PolarHBondContact O-N 3.39Å; F77-K80 PolarHBondContact N-O 3.07Å; F77-K80 PolarHBondContact O-N 2.97Å; F77-L82 HydrophobicContact CB-CD1 3.86Å; F77-L82 HydrophobicContact CD1-CD1 4.24Å; F77-L82 HydrophobicContact CG-CD1 4.41Å |
| 78 | K | 95.5 | Very high | 96.8 | Very high | 182 Ų | 182 | 71.2 Ų | 71.2 | 79% | 0.791 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 42.4 | -179.6 | -57.5 | -175.8 | 175.9 | -175.3 | 0 | 112.5 | K80 | K78-K80 VanDerWaalsContact C-N 3.3Å; K78-K80 PolarHBondContact O-N 3.29Å |
| 79 | G | 96.3 | Very high | 96.8 | Very high | 67 Ų | 67 | 68.5 Ų | 68.5 | 69% | 0.691 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | 16.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D76 F77 | D76-G79 VanDerWaalsContact OD1-CA 3.24Å; D76-G79 WeakPolarHBondContact OD1-CA 3.48Å; D76-G79 PolarHBondContact OD1-N 3.28Å; F77-G79 VanDerWaalsContact C-N 3.28Å; F77-G79 PolarHBondContact O-N 3.39Å |
| 80 | K | 97 | Very high | 96.9 | Very high | 152 Ų | 152 | 71.6 Ų | 71.6 | 66% | 0.661 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 127.9 | 178.2 | -62.6 | -174.4 | -179.5 | -175.4 | 0 | 109.3 | D76 F77 K78 L82 | D76-K80 PolarHBondContact OD1-N 3.01Å; F77-K80 PolarHBondContact N-O 3.07Å; F77-K80 PolarHBondContact O-N 2.97Å; K78-K80 VanDerWaalsContact C-N 3.3Å; K78-K80 PolarHBondContact O-N 3.29Å; K80-L82 PolarHBondContact O-N 3.4Å |
| 81 | V | 97.1 | Very high | 96.8 | Very high | 72 Ų | 72 | 65.7 Ų | 65.7 | 44% | 0.436 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 129.2 | 171 | -179.9 | 0 | 0 | 0 | 0 | 108.9 | V74 P107 | V74-V81 HydrophobicContact CG1-CG1 4.05Å; V81-P107 HydrophobicContact CB-CG 4.11Å; V81-P107 HydrophobicContact CG1-CG 4.34Å; V81-P107 WeakPolarHBondContact O-CD 3.17Å |
| 82 | L | 97.5 | Very high | 96.8 | Very high | 29 Ų | 29 | 69.6 Ų | 69.6 | 15% | 0.152 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 137.7 | 174.8 | -65.3 | 177.6 | 0 | 0 | 0 | 110.1 | R75 F77 K80 L105 | R75-L82 PolarHBondContact N-O 2.99Å; R75-L82 PolarHBondContact O-N 3.36Å; F77-L82 HydrophobicContact CB-CD1 3.86Å; F77-L82 HydrophobicContact CD1-CD1 4.24Å; F77-L82 HydrophobicContact CG-CD1 4.41Å; K80-L82 PolarHBondContact O-N 3.4Å; L82-L105 WeakPolarHBondContact CA-O 3.2Å |
| 83 | I | 98.1 | Very high | 96.7 | Very high | 9 Ų | 9 | 75.6 Ų | 75.6 | 5% | 0.046 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 105.7 | 170.4 | -56.3 | 83.1 | 0 | 0 | 0 | 106.5 | V72 S73 V74 L105 P107 W110 | V72-I83 HydrophobicContact CG1-CG2 3.74Å; S73-I83 CarbonylContact O-C 3.51Å; S73-I83 WeakPolarHBondContact O-CA 3.35Å; V74-I83 HydrophobicContact CG2-CG1 4.41Å; I83-L105 PolarHBondContact N-O 2.95Å; I83-L105 PolarHBondContact O-N 3.31Å; I83-P107 HydrophobicContact CD1-CG 4.39Å; I83-W110 HydrophobicContact CD1-CB 3.9Å; I83-W110 HydrophobicContact CD1-CG 4.21Å; I83-W110 HydrophobicContact CG1-CB 4.23Å; I83-W110 HydrophobicContact CG1-CD2 4.48Å; I83-W110 HydrophobicContact CG1-CG 4.09Å; I83-W110 HydrophobicContact CG2-CD2 4.19Å; I83-W110 HydrophobicContact CG2-CE3 4.04Å; I83-W110 HydrophobicContact CG2-CZ3 4.41Å |
| 84 | D | 97.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 77.1 Ų | 77.1 | 2% | 0.021 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 118.4 | -175.5 | -169.5 | -108 | 0 | 0 | 0 | 111 | V72 S73 R86 I103 S104 | V72-D84 CarbonylContact C-O 3.53Å; V72-D84 VanDerWaalsContact CA-O 3.27Å; V72-D84 WeakPolarHBondContact CA-O 3.5Å; S73-D84 PolarHBondContact N-O 2.93Å; S73-D84 PolarHBondContact O-N 2.86Å; S73-D84 WeakPolarHBondContact OG-CB 3.42Å; D84-R86 WeakPolarHBondContact OD1-CB 3.38Å; D84-R86 WeakPolarHBondContact OD1-CD 3.33Å; D84-R86 IonicContact OD1-CZ 3.58Å; D84-R86 IonicContact OD1-NE 3.74Å; D84-R86 PolarHBondContact OD1-NE 2.8Å; D84-R86 IonicContact OD1-NH2 2.8Å; D84-R86 IonicContact OD2-CZ 3.61Å; D84-R86 IonicContact OD2-NE 3.5Å; D84-R86 PolarHBondContact OD2-NE 2.96Å; D84-R86 IonicContact OD2-NH2 3.85Å; D84-R86 PolarHBondContact OD2-NH2 3.48Å; D84-I103 WeakPolarHBondContact CA-O 3.42Å; D84-S104 PolarHBondContact OD2-OG 3.03Å |
| 85 | I | 98.1 | Very high | 96.5 | Very high | 48 Ų | 48 | 79.9 Ų | 79.9 | 25% | 0.246 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 110 | 175.1 | -51.5 | 176.3 | 0 | 0 | 0 | 107.2 | I66 V72 G102 I103 L105 W110 L113 | I66-I85 HydrophobicContact CD1-CG2 4.14Å; V72-I85 HydrophobicContact CG1-CG1 4.31Å; V72-I85 HydrophobicContact CG2-CG1 4.15Å; V72-I85 HydrophobicContact CG2-CG2 4.35Å; I85-G102 CarbonylContact O-C 3.47Å; I85-G102 WeakPolarHBondContact O-CA 3.38Å; I85-I103 HydrophobicContact CB-CG2 4.36Å; I85-I103 PolarHBondContact N-O 3.13Å; I85-I103 PolarHBondContact O-N 2.81Å; I85-L105 HydrophobicContact CD1-CD1 4.13Å; I85-W110 HydrophobicContact CD1-CZ3 4.4Å; I85-L113 HydrophobicContact CD1-CD2 4.49Å |
| 86 | R | 97.5 | Very high | 96.4 | Very high | 46 Ų | 46 | 78.6 Ų | 78.6 | 17% | 0.174 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 143.9 | -166.7 | -176.1 | 172.4 | -55.4 | -79.9 | -9.3 | 114.8 | R70 Y71 D84 Y88 P98 G99 | R70-R86 WeakPolarHBondContact CA-O 3.41Å; Y71-R86 PolarHBondContact N-O 3Å; Y71-R86 PolarHBondContact O-N 3.48Å; D84-R86 WeakPolarHBondContact OD1-CB 3.38Å; D84-R86 WeakPolarHBondContact OD1-CD 3.33Å; D84-R86 IonicContact OD1-CZ 3.58Å; D84-R86 IonicContact OD1-NE 3.74Å; D84-R86 PolarHBondContact OD1-NE 2.8Å; D84-R86 IonicContact OD1-NH2 2.8Å; D84-R86 IonicContact OD2-CZ 3.61Å; D84-R86 IonicContact OD2-NE 3.5Å; D84-R86 PolarHBondContact OD2-NE 2.96Å; D84-R86 IonicContact OD2-NH2 3.85Å; D84-R86 PolarHBondContact OD2-NH2 3.48Å; R86-Y88 HydrophobicContact CB-CE2 4.04Å; R86-Y88 HydrophobicContact CG-CD2 4.38Å; R86-Y88 HydrophobicContact CG-CE2 4.17Å; R86-P98 HydrophobicContact CG-CB 4.48Å; R86-G99 PolarHBondContact NH1-O 3.43Å |
| 87 | E | 97.7 | Very high | 96.4 | Very high | 56 Ų | 56 | 76.8 Ų | 76.8 | 26% | 0.262 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 130 | 166.4 | -172.6 | 172.7 | 119.1 | 0 | 0 | 109.9 | M69 R70 G99 K101 | M69-E87 CarbonylContact O-C 3.5Å; M69-E87 VanDerWaalsContact O-CA 3.29Å; M69-E87 WeakPolarHBondContact O-CA 3.47Å; R70-E87 HydrophobicContact CG-CB 4.33Å; R70-E87 HydrophobicContact CG-CG 4.42Å; R70-E87 IonicContact CZ-OE2 3.92Å; R70-E87 IonicContact NE-OE2 3.53Å; R70-E87 IonicContact NH2-OE2 3.36Å; R70-E87 PolarHBondContact NH2-OE2 2.96Å; E87-G99 WeakPolarHBondContact O-CA 3.18Å; E87-G99 PolarHBondContact O-N 2.93Å; E87-K101 HydrophobicContact CB-CB 4.12Å; E87-K101 PolarHBondContact N-O 3.42Å; E87-K101 IonicContact OE1-NZ 3.37Å; E87-K101 PolarHBondContact OE1-NZ 3.35Å; E87-K101 IonicContact OE2-NZ 3.96Å |
| 88 | Y | 97.4 | Very high | 96.5 | Very high | 33 Ų | 33 | 75.9 Ų | 75.9 | 13% | 0.129 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 163.8 | 176.4 | -75.2 | -110.1 | 0 | 0 | 0 | 110.1 | M63 M69 Y71 R86 M96 K97 P98 | M63-Y88 WeakPolarHBondContact CE-OH 3.27Å; M69-Y88 WeakPolarHBondContact CB-O 3.5Å; M69-Y88 WeakPolarHBondContact CE-O 3.06Å; M69-Y88 PolarHBondContact O-N 3.05Å; Y71-Y88 AromaticContact CD2-CD2 3.61Å; Y71-Y88 HydrophobicContact CD2-CD2 3.61Å; Y71-Y88 HydrophobicContact CD2-CE2 4.05Å; Y71-Y88 HydrophobicContact CD2-CG 4.16Å; Y71-Y88 HydrophobicContact CE2-CD2 4.39Å; Y71-Y88 HydrophobicContact CG-CD2 4.42Å; Y71-Y88 HydrophobicContact CG-CE2 4.44Å; R86-Y88 HydrophobicContact CB-CE2 4.04Å; R86-Y88 HydrophobicContact CG-CD2 4.38Å; R86-Y88 HydrophobicContact CG-CE2 4.17Å; Y88-M96 HydrophobicContact CD1-CB 4.32Å; Y88-M96 HydrophobicContact CG-CE 4.28Å; Y88-K97 CarbonylContact C-O 3.46Å; Y88-K97 VanDerWaalsContact CA-O 3.23Å; Y88-K97 WeakPolarHBondContact CA-O 3.45Å; Y88-K97 WeakPolarHBondContact CB-O 3.41Å; Y88-K97 VanDerWaalsContact CD1-C 3.44Å; Y88-K97 WeakPolarHBondContact CD1-O 2.92Å; Y88-P98 HydrophobicContact CD1-CB 4.47Å; Y88-P98 HydrophobicContact CE1-CB 4.09Å |
| 89 | W | 96.7 | Very high | 96.5 | Very high | 127 Ų | 127 | 67.9 Ų | 67.9 | 48% | 0.481 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 153 | 170.6 | 60.2 | -75.7 | 0 | 0 | 0 | 108.9 | M69 D91 K97 P98 | M69-W89 VanDerWaalsContact CE-CA 3.46Å; W89-D91 HydrophobicContact CE3-CB 4.2Å; W89-D91 HydrophobicContact CH2-CB 3.72Å; W89-D91 HydrophobicContact CZ3-CB 3.42Å; W89-D91 VanDerWaalsContact CZ3-CB 3.42Å; W89-K97 VanDerWaalsContact CD1-O 3.24Å; W89-K97 HydrophobicContact CD2-CB 4.13Å; W89-K97 VanDerWaalsContact CE2-CB 3.46Å; W89-K97 HydrophobicContact CG-CB 4.5Å; W89-K97 HydrophobicContact CH2-CB 4.39Å; W89-K97 HydrophobicContact CH2-CG 4.22Å; W89-K97 HydrophobicContact CZ2-CB 3.6Å; W89-K97 HydrophobicContact CZ2-CG 3.85Å; W89-K97 PolarHBondContact N-O 2.88Å; W89-K97 PolarHBondContact O-N 2.79Å; W89-P98 PolarHBondContact NE1-O 2.79Å |
| 90 | M | 96.3 | Very high | 96.5 | Very high | 112 Ų | 112 | 76.7 Ų | 76.7 | 55% | 0.552 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 128.5 | 171.3 | -63.7 | -173.3 | 88.4 | 0 | 0 | 108.4 | M69 G94 E95 M96 | M69-M90 HydrophobicContact CE-CG 3.86Å; M90-G94 VanDerWaalsContact CE-O 3.3Å; M90-G94 WeakPolarHBondContact CE-O 3.43Å; M90-E95 WeakPolarHBondContact CA-O 3.32Å; M90-M96 HydrophobicContact CG-SD 3.48Å; M90-M96 WeakPolarHBondContact CG-SD 3.41Å; M90-M96 HydrophobicContact SD-SD 4.39Å |
| 91 | D | 96.1 | Very high | 96.6 | Very high | 17 Ų | 17 | 76.1 Ų | 76.1 | 9% | 0.091 | 38% | 0.375 | C | S | . | . | trans | -75.6 | 169 | 170.7 | 68.5 | 14.6 | 0 | 0 | 0 | 112 | W89 E93 G94 E95 K97 | W89-D91 HydrophobicContact CE3-CB 4.2Å; W89-D91 HydrophobicContact CH2-CB 3.72Å; W89-D91 HydrophobicContact CZ3-CB 3.42Å; W89-D91 VanDerWaalsContact CZ3-CB 3.42Å; D91-E93 PolarHBondContact O-N 3.17Å; D91-E93 WeakPolarHBondContact OD1-CA 3.43Å; D91-E93 WeakPolarHBondContact OD1-CB 3.49Å; D91-E93 PolarHBondContact OD1-N 3.15Å; D91-E93 VanDerWaalsContact OD1-N 3.16Å; D91-G94 PolarHBondContact O-N 3.37Å; D91-G94 PolarHBondContact OD1-N 2.59Å; D91-E95 PolarHBondContact N-O 2.8Å; D91-E95 PolarHBondContact OD1-N 2.74Å; D91-E95 WeakPolarHBondContact OD2-CB 3.41Å; D91-K97 HydrophobicContact CB-CG 4.31Å; D91-K97 WeakPolarHBondContact OD2-CE 3.49Å; D91-K97 IonicContact OD2-NZ 3.5Å | ||
| 92 | P | 97.2 | Very high | 96.6 | Very high | 124 Ų | 124 | 74.7 Ų | 74.7 | 81% | 0.805 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -24 | 177.2 | -26.3 | 36.8 | 0 | 0 | 0 | 114 | G94 | P92-G94 VanDerWaalsContact C-N 3.29Š|
| 93 | E | 97 | Very high | 96.6 | Very high | 147 Ų | 147 | 77.9 Ų | 77.9 | 69% | 0.687 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -11.5 | 176.1 | -61.9 | 68.8 | -147.8 | 0 | 0 | 112.7 | D91 | D91-E93 PolarHBondContact O-N 3.17Å; D91-E93 WeakPolarHBondContact OD1-CA 3.43Å; D91-E93 WeakPolarHBondContact OD1-CB 3.49Å; D91-E93 PolarHBondContact OD1-N 3.15Å; D91-E93 VanDerWaalsContact OD1-N 3.16Å |
| 94 | G | 94.6 | Very high | 96.6 | Very high | 41 Ų | 41 | 79.5 Ų | 79.5 | 42% | 0.423 | 40% | 0.403 | S | S | . | . | S | Bend | trans | 89.6 | 9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | M90 D91 P92 | M90-G94 VanDerWaalsContact CE-O 3.3Å; M90-G94 WeakPolarHBondContact CE-O 3.43Å; D91-G94 PolarHBondContact O-N 3.37Å; D91-G94 PolarHBondContact OD1-N 2.59Å; P92-G94 VanDerWaalsContact C-N 3.29Å |
| 95 | E | 94.8 | Very high | 96.6 | Very high | 108 Ų | 108 | 80.2 Ų | 80.2 | 51% | 0.505 | 41% | 0.406 | S | S | . | . | trans | -83 | 139.2 | 176.3 | -55.4 | -172.5 | 167 | 0 | 0 | 111.6 | M90 D91 K97 | M90-E95 WeakPolarHBondContact CA-O 3.32Å; D91-E95 PolarHBondContact N-O 2.8Å; D91-E95 PolarHBondContact OD1-N 2.74Å; D91-E95 WeakPolarHBondContact OD2-CB 3.41Å; E95-K97 PolarHBondContact O-N 2.64Å; E95-K97 WeakPolarHBondContact OE2-CE 3.27Å; E95-K97 IonicContact OE2-NZ 2.61Å; E95-K97 PolarHBondContact OE2-NZ 3.5Å | ||
| 96 | M | 92.9 | Very high | 96.6 | Very high | 69 Ų | 69 | 80.5 Ų | 80.5 | 34% | 0.34 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 112.9 | 173.6 | -70.2 | -69.8 | -76.5 | 0 | 0 | 110 | M69 Y71 Y88 M90 | M69-M96 HydrophobicContact CE-CE 3.54Å; M69-M96 HydrophobicContact CE-SD 3.48Å; M69-M96 WeakPolarHBondContact CE-SD 3.18Å; M69-M96 HydrophobicContact SD-CE 3.85Å; M69-M96 HydrophobicContact SD-SD 4.07Å; Y71-M96 HydrophobicContact CE2-CE 3.53Å; Y88-M96 HydrophobicContact CD1-CB 4.32Å; Y88-M96 HydrophobicContact CG-CE 4.28Å; M90-M96 HydrophobicContact CG-SD 3.48Å; M90-M96 WeakPolarHBondContact CG-SD 3.41Å; M90-M96 HydrophobicContact SD-SD 4.39Å |
| 97 | K | 95 | Very high | 96.7 | Very high | 73 Ų | 73 | 81.6 Ų | 81.6 | 32% | 0.317 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 140.8 | 177 | -61.5 | -66 | 179.2 | -175.6 | 0 | 110.9 | Y88 W89 D91 E95 G99 | Y88-K97 CarbonylContact C-O 3.46Å; Y88-K97 VanDerWaalsContact CA-O 3.23Å; Y88-K97 WeakPolarHBondContact CA-O 3.45Å; Y88-K97 WeakPolarHBondContact CB-O 3.41Å; Y88-K97 VanDerWaalsContact CD1-C 3.44Å; Y88-K97 WeakPolarHBondContact CD1-O 2.92Å; W89-K97 VanDerWaalsContact CD1-O 3.24Å; W89-K97 HydrophobicContact CD2-CB 4.13Å; W89-K97 VanDerWaalsContact CE2-CB 3.46Å; W89-K97 HydrophobicContact CG-CB 4.5Å; W89-K97 HydrophobicContact CH2-CB 4.39Å; W89-K97 HydrophobicContact CH2-CG 4.22Å; W89-K97 HydrophobicContact CZ2-CB 3.6Å; W89-K97 HydrophobicContact CZ2-CG 3.85Å; W89-K97 PolarHBondContact N-O 2.88Å; W89-K97 PolarHBondContact O-N 2.79Å; D91-K97 HydrophobicContact CB-CG 4.31Å; D91-K97 WeakPolarHBondContact OD2-CE 3.49Å; D91-K97 IonicContact OD2-NZ 3.5Å; E95-K97 PolarHBondContact O-N 2.64Å; E95-K97 WeakPolarHBondContact OE2-CE 3.27Å; E95-K97 IonicContact OE2-NZ 2.61Å; E95-K97 PolarHBondContact OE2-NZ 3.5Å; K97-G99 PolarHBondContact O-N 2.77Å |
| 98 | P | 96 | Very high | 96.7 | Very high | 77 Ų | 77 | 85 Ų | 85 | 50% | 0.5 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 130.5 | 173.5 | 26 | -33 | 0 | 0 | 0 | 110 | R86 Y88 W89 | R86-P98 HydrophobicContact CG-CB 4.48Å; Y88-P98 HydrophobicContact CD1-CB 4.47Å; Y88-P98 HydrophobicContact CE1-CB 4.09Å; W89-P98 PolarHBondContact NE1-O 2.79Å |
| 99 | G | 96.3 | Very high | 96.7 | Very high | 14 Ų | 14 | 87.7 Ų | 87.7 | 14% | 0.144 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 175.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R86 E87 K97 K101 | R86-G99 PolarHBondContact NH1-O 3.43Å; E87-G99 WeakPolarHBondContact O-CA 3.18Å; E87-G99 PolarHBondContact O-N 2.93Å; K97-G99 PolarHBondContact O-N 2.77Å; G99-K101 VanDerWaalsContact C-N 3.32Å |
| 100 | R | 96.8 | Very high | 96.8 | Very high | 253 Ų | 253 | 85.7 Ų | 85.7 | 96% | 0.955 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.7 | -26.2 | 176.5 | -64 | -176.1 | -177 | -177.2 | 0.5 | 112.9 | G102 | R100-G102 PolarHBondContact O-N 3.17Å |
| 101 | K | 97.9 | Very high | 96.9 | Very high | 140 Ų | 140 | 82.5 Ų | 82.5 | 61% | 0.609 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 107.8 | -179.4 | -61.4 | 177.9 | -170.2 | 163.3 | 0 | 110 | E87 G99 | E87-K101 HydrophobicContact CB-CB 4.12Å; E87-K101 PolarHBondContact N-O 3.42Å; E87-K101 IonicContact OE1-NZ 3.37Å; E87-K101 PolarHBondContact OE1-NZ 3.35Å; E87-K101 IonicContact OE2-NZ 3.96Å; G99-K101 VanDerWaalsContact C-N 3.32Å |
| 102 | G | 97.4 | Very high | 97 | Very high | 41 Ų | 41 | 86.1 Ų | 86.1 | 42% | 0.423 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.5 | 169.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I85 R100 | I85-G102 CarbonylContact O-C 3.47Å; I85-G102 WeakPolarHBondContact O-CA 3.38Å; R100-G102 PolarHBondContact O-N 3.17Å |
| 103 | I | 98.2 | Very high | 97.1 | Very high | 97 Ų | 97 | 83 Ų | 83 | 50% | 0.497 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 138.4 | 179.4 | -171.5 | 166.2 | 0 | 0 | 0 | 109.7 | D84 I85 L105 | D84-I103 WeakPolarHBondContact CA-O 3.42Å; I85-I103 HydrophobicContact CB-CG2 4.36Å; I85-I103 PolarHBondContact N-O 3.13Å; I85-I103 PolarHBondContact O-N 2.81Å; I103-L105 HydrophobicContact CD1-CD2 3.76Å; I103-L105 HydrophobicContact CG1-CD2 3.87Å; I103-L105 HydrophobicContact CG2-CD2 4.29Å; I103-L105 HydrophobicContact CG2-CG 4.41Å |
| 104 | S | 97.5 | Very high | 97.1 | Very high | 43 Ų | 43 | 81 Ų | 81 | 30% | 0.301 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 118.5 | 168.2 | -53.5 | 0 | 0 | 0 | 0 | 108.7 | D84 | D84-S104 PolarHBondContact OD2-OG 3.03Å |
| 105 | L | 98.3 | Very high | 97.3 | Very high | 18 Ų | 18 | 85.7 Ų | 85.7 | 9% | 0.094 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 142.8 | 176.8 | -56.4 | 177.5 | 0 | 0 | 0 | 109.7 | L82 I83 I85 I103 Q109 W110 L113 | L82-L105 WeakPolarHBondContact CA-O 3.2Å; I83-L105 PolarHBondContact N-O 2.95Å; I83-L105 PolarHBondContact O-N 3.31Å; I85-L105 HydrophobicContact CD1-CD1 4.13Å; I103-L105 HydrophobicContact CD1-CD2 3.76Å; I103-L105 HydrophobicContact CG1-CD2 3.87Å; I103-L105 HydrophobicContact CG2-CD2 4.29Å; I103-L105 HydrophobicContact CG2-CG 4.41Å; L105-Q109 HydrophobicContact CB-CB 4.14Å; L105-Q109 HydrophobicContact CD2-CB 4.22Å; L105-W110 HydrophobicContact CD1-CE3 4.22Å; L105-L113 HydrophobicContact CD1-CD2 4.03Å |
| 106 | N | 97.9 | Very high | 97.5 | Very high | 55 Ų | 55 | 85.5 Ų | 85.5 | 29% | 0.294 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 169.4 | 164.3 | 73.2 | 10 | 0 | 0 | 0 | 110.1 | E108 Q109 W110 | N106-E108 VanDerWaalsContact C-N 3.26Å; N106-E108 PolarHBondContact O-N 3.27Å; N106-E108 PolarHBondContact OD1-N 2.91Å; N106-Q109 PolarHBondContact O-N 2.99Å; N106-Q109 VanDerWaalsContact OD1-CB 3.23Å; N106-Q109 WeakPolarHBondContact OD1-CB 3.45Å; N106-Q109 WeakPolarHBondContact OD1-CG 3.23Å; N106-Q109 PolarHBondContact OD1-N 3.35Å; N106-Q109 PolarHBondContact OD1-OE1 3.23Å; N106-W110 PolarHBondContact O-N 3.16Å |
| 107 | P | 98 | Very high | 97.7 | Very high | 69 Ų | 69 | 85.9 Ų | 85.9 | 45% | 0.448 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.5 | -31.9 | -178.2 | -26.5 | 37.3 | 0 | 0 | 0 | 114 | V81 I83 W110 S111 | V81-P107 HydrophobicContact CB-CG 4.11Å; V81-P107 HydrophobicContact CG1-CG 4.34Å; V81-P107 WeakPolarHBondContact O-CD 3.17Å; I83-P107 HydrophobicContact CD1-CG 4.39Å; P107-W110 PolarHBondContact O-N 3.39Å; P107-S111 PolarHBondContact O-N 2.82Å |
| 108 | E | 98.2 | Very high | 97.9 | Very high | 127 Ų | 127 | 86 Ų | 86 | 59% | 0.593 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -67.2 | -49.3 | 178 | -176.3 | -177.5 | -179.2 | 0 | 0 | 111.6 | N106 W110 S111 Q112 | N106-E108 VanDerWaalsContact C-N 3.26Å; N106-E108 PolarHBondContact O-N 3.27Å; N106-E108 PolarHBondContact OD1-N 2.91Å; E108-W110 VanDerWaalsContact C-N 3.28Å; E108-W110 PolarHBondContact O-N 2.83Å; E108-S111 WeakPolarHBondContact O-CB 3.04Å; E108-S111 PolarHBondContact O-N 3.28Å; E108-S111 VanDerWaalsContact O-N 3.07Å; E108-Q112 PolarHBondContact O-N 3.46Å |
| 109 | Q | 98.3 | Very high | 98 | Very high | 90 Ų | 90 | 87.6 Ų | 87.6 | 42% | 0.421 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.5 | -39 | 174.7 | -71.6 | 164.5 | -17.6 | 0 | 0 | 111.3 | L105 N106 S111 Q112 L113 | L105-Q109 HydrophobicContact CB-CB 4.14Å; L105-Q109 HydrophobicContact CD2-CB 4.22Å; N106-Q109 PolarHBondContact O-N 2.99Å; N106-Q109 VanDerWaalsContact OD1-CB 3.23Å; N106-Q109 WeakPolarHBondContact OD1-CB 3.45Å; N106-Q109 WeakPolarHBondContact OD1-CG 3.23Å; N106-Q109 PolarHBondContact OD1-N 3.35Å; N106-Q109 PolarHBondContact OD1-OE1 3.23Å; Q109-S111 VanDerWaalsContact C-N 3.35Å; Q109-Q112 PolarHBondContact O-N 2.93Å; Q109-L113 WeakPolarHBondContact O-CB 3.48Å; Q109-L113 PolarHBondContact O-N 2.92Å |
| 110 | W | 98.5 | Very high | 98 | Very high | 85 Ų | 85 | 90.4 Ų | 90.4 | 32% | 0.322 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.7 | -38.9 | 173.5 | 176.9 | -113.8 | 0 | 0 | 0 | 112.2 | I83 I85 L105 N106 P107 E108 L113 K114 | I83-W110 HydrophobicContact CD1-CB 3.9Å; I83-W110 HydrophobicContact CD1-CG 4.21Å; I83-W110 HydrophobicContact CG1-CB 4.23Å; I83-W110 HydrophobicContact CG1-CD2 4.48Å; I83-W110 HydrophobicContact CG1-CG 4.09Å; I83-W110 HydrophobicContact CG2-CD2 4.19Å; I83-W110 HydrophobicContact CG2-CE3 4.04Å; I83-W110 HydrophobicContact CG2-CZ3 4.41Å; I85-W110 HydrophobicContact CD1-CZ3 4.4Å; L105-W110 HydrophobicContact CD1-CE3 4.22Å; N106-W110 PolarHBondContact O-N 3.16Å; P107-W110 PolarHBondContact O-N 3.39Å; E108-W110 VanDerWaalsContact C-N 3.28Å; E108-W110 PolarHBondContact O-N 2.83Å; W110-L113 HydrophobicContact CE3-CD2 3.93Å; W110-L113 HydrophobicContact CZ3-CD2 3.83Å; W110-L113 PolarHBondContact O-N 2.91Å; W110-K114 HydrophobicContact CZ2-CD 4.25Å; W110-K114 HydrophobicContact CZ2-CG 4.29Å; W110-K114 WeakPolarHBondContact O-CG 3.45Å; W110-K114 PolarHBondContact O-N 3.37Å; W110-K114 VanDerWaalsContact O-N 3.13Å |
| 111 | S | 98.3 | Very high | 98.1 | Very high | 44 Ų | 44 | 82.3 Ų | 82.3 | 31% | 0.308 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.8 | -49 | 174 | -162 | 0 | 0 | 0 | 0 | 111.7 | P107 E108 Q109 L113 K114 E115 | P107-S111 PolarHBondContact O-N 2.82Å; E108-S111 WeakPolarHBondContact O-CB 3.04Å; E108-S111 PolarHBondContact O-N 3.28Å; E108-S111 VanDerWaalsContact O-N 3.07Å; Q109-S111 VanDerWaalsContact C-N 3.35Å; S111-L113 VanDerWaalsContact C-N 3.29Å; S111-L113 PolarHBondContact O-N 3.32Å; S111-K114 WeakPolarHBondContact O-CB 3.41Å; S111-K114 PolarHBondContact O-N 2.78Å; S111-E115 WeakPolarHBondContact O-CG 3.3Å; S111-E115 PolarHBondContact O-N 2.92Å; S111-E115 PolarHBondContact OG-OE1 2.91Å |
| 112 | Q | 98.4 | Very high | 98.2 | Very high | 93 Ų | 93 | 78.6 Ų | 78.6 | 44% | 0.435 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62 | -36.5 | 178.8 | -68.3 | -177.3 | 29.6 | 0 | 0 | 112.5 | E108 Q109 K114 E115 Q116 | E108-Q112 PolarHBondContact O-N 3.46Å; Q109-Q112 PolarHBondContact O-N 2.93Å; Q112-K114 VanDerWaalsContact C-N 3.34Å; Q112-E115 PolarHBondContact O-N 2.92Å; Q112-Q116 WeakPolarHBondContact O-CG 3.48Å; Q112-Q116 PolarHBondContact O-N 2.94Å; Q112-Q116 VanDerWaalsContact O-N 3.17Å |
| 113 | L | 98.3 | Very high | 98.2 | Very high | 60 Ų | 60 | 79 Ų | 79 | 31% | 0.314 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 173.4 | 177.9 | 61.3 | 0 | 0 | 0 | 110.8 | I85 L105 Q109 W110 S111 Q116 I117 I120 | I85-L113 HydrophobicContact CD1-CD2 4.49Å; L105-L113 HydrophobicContact CD1-CD2 4.03Å; Q109-L113 WeakPolarHBondContact O-CB 3.48Å; Q109-L113 PolarHBondContact O-N 2.92Å; W110-L113 HydrophobicContact CE3-CD2 3.93Å; W110-L113 HydrophobicContact CZ3-CD2 3.83Å; W110-L113 PolarHBondContact O-N 2.91Å; S111-L113 VanDerWaalsContact C-N 3.29Å; S111-L113 PolarHBondContact O-N 3.32Å; L113-Q116 PolarHBondContact O-N 3.01Å; L113-I117 PolarHBondContact O-N 3.01Å; L113-I120 HydrophobicContact CD1-CD1 4.08Å |
| 114 | K | 98.4 | Very high | 98.2 | Very high | 105 Ų | 105 | 78.9 Ų | 78.9 | 46% | 0.457 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64 | -40.2 | 177.7 | -71.3 | -175.2 | -64.5 | 161.1 | 0 | 112.7 | W110 S111 Q112 Q116 I117 | W110-K114 HydrophobicContact CZ2-CD 4.25Å; W110-K114 HydrophobicContact CZ2-CG 4.29Å; W110-K114 WeakPolarHBondContact O-CG 3.45Å; W110-K114 PolarHBondContact O-N 3.37Å; W110-K114 VanDerWaalsContact O-N 3.13Å; S111-K114 WeakPolarHBondContact O-CB 3.41Å; S111-K114 PolarHBondContact O-N 2.78Å; Q112-K114 VanDerWaalsContact C-N 3.34Å; K114-Q116 PolarHBondContact O-N 3.16Å; K114-I117 HydrophobicContact CB-CD1 4.26Å; K114-I117 HydrophobicContact CG-CD1 4.23Å; K114-I117 WeakPolarHBondContact O-CB 3.32Å; K114-I117 WeakPolarHBondContact O-CG1 3.29Å; K114-I117 PolarHBondContact O-N 2.75Å; K114-I117 VanDerWaalsContact O-N 3.17Å |
| 115 | E | 98.4 | Very high | 98.2 | Very high | 139 Ų | 139 | 85.5 Ų | 85.5 | 65% | 0.65 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -61.8 | -33.1 | 176.8 | -72.7 | 163.1 | -150.9 | 0 | 0 | 111.8 | S111 Q112 | S111-E115 WeakPolarHBondContact O-CG 3.3Å; S111-E115 PolarHBondContact O-N 2.92Å; S111-E115 PolarHBondContact OG-OE1 2.91Å; Q112-E115 PolarHBondContact O-N 2.92Å |
| 116 | Q | 98.1 | Very high | 98.1 | Very high | 103 Ų | 103 | 92.7 Ų | 92.7 | 48% | 0.481 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -4.2 | 177.3 | -71.6 | -178.2 | 77 | 0 | 0 | 114.6 | Q112 L113 K114 S118 D119 I120 | Q112-Q116 WeakPolarHBondContact O-CG 3.48Å; Q112-Q116 PolarHBondContact O-N 2.94Å; Q112-Q116 VanDerWaalsContact O-N 3.17Å; L113-Q116 PolarHBondContact O-N 3.01Å; K114-Q116 PolarHBondContact O-N 3.16Å; Q116-S118 VanDerWaalsContact C-N 3.27Å; Q116-S118 PolarHBondContact O-N 2.78Å; Q116-D119 PolarHBondContact O-N 3.39Å; Q116-D119 VanDerWaalsContact O-N 3.16Å; Q116-I120 HydrophobicContact CB-CD1 4.13Å; Q116-I120 HydrophobicContact CB-CG1 4.5Å; Q116-I120 VanDerWaalsContact O-CG1 3.27Å; Q116-I120 WeakPolarHBondContact O-CG1 3.44Å; Q116-I120 PolarHBondContact O-N 3.18Å |
| 117 | I | 98.3 | Very high | 97.9 | Very high | 78 Ų | 78 | 100 Ų | 100 | 40% | 0.4 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -56 | -41.4 | -176.5 | -75 | 173 | 0 | 0 | 0 | 111.7 | L113 K114 D119 I120 D121 | L113-I117 PolarHBondContact O-N 3.01Å; K114-I117 HydrophobicContact CB-CD1 4.26Å; K114-I117 HydrophobicContact CG-CD1 4.23Å; K114-I117 WeakPolarHBondContact O-CB 3.32Å; K114-I117 WeakPolarHBondContact O-CG1 3.29Å; K114-I117 PolarHBondContact O-N 2.75Å; K114-I117 VanDerWaalsContact O-N 3.17Å; I117-D119 PolarHBondContact O-N 3.19Å; I117-I120 PolarHBondContact O-N 2.85Å; I117-D121 WeakPolarHBondContact O-CB 3.32Å; I117-D121 PolarHBondContact O-N 3.15Å |
| 118 | S | 97.7 | Very high | 97.9 | Very high | 75 Ų | 75 | 101.6 Ų | 101.6 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 179.9 | -171.8 | 0 | 0 | 0 | 0 | 112.1 | Q116 I120 D121 D122 | Q116-S118 VanDerWaalsContact C-N 3.27Å; Q116-S118 PolarHBondContact O-N 2.78Å; S118-I120 VanDerWaalsContact C-N 3.33Å; S118-D121 PolarHBondContact O-N 3.45Å; S118-D122 PolarHBondContact O-N 2.95Å |
| 119 | D | 98.1 | Very high | 97.8 | Very high | 110 Ų | 110 | 100.2 Ų | 100.2 | 59% | 0.588 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.6 | -35.9 | 179.7 | -64.9 | -21 | 0 | 0 | 0 | 111.3 | Q116 I117 D122 A123 | Q116-D119 PolarHBondContact O-N 3.39Å; Q116-D119 VanDerWaalsContact O-N 3.16Å; I117-D119 PolarHBondContact O-N 3.19Å; D119-D122 PolarHBondContact O-N 3.4Å; D119-A123 WeakPolarHBondContact O-CB 3.5Å; D119-A123 PolarHBondContact O-N 3.17Å |
| 120 | I | 98.3 | Very high | 97.8 | Very high | 73 Ų | 73 | 100.8 Ų | 100.8 | 37% | 0.374 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -46 | 173.8 | -67.4 | 167.6 | 0 | 0 | 0 | 110.3 | L113 Q116 I117 S118 D122 A123 V124 | L113-I120 HydrophobicContact CD1-CD1 4.08Å; Q116-I120 HydrophobicContact CB-CD1 4.13Å; Q116-I120 HydrophobicContact CB-CG1 4.5Å; Q116-I120 VanDerWaalsContact O-CG1 3.27Å; Q116-I120 WeakPolarHBondContact O-CG1 3.44Å; Q116-I120 PolarHBondContact O-N 3.18Å; I117-I120 PolarHBondContact O-N 2.85Å; S118-I120 VanDerWaalsContact C-N 3.33Å; I120-D122 VanDerWaalsContact C-N 3.33Å; I120-D122 PolarHBondContact O-N 3.48Å; I120-A123 WeakPolarHBondContact O-CB 3.43Å; I120-A123 PolarHBondContact O-N 2.61Å; I120-A123 VanDerWaalsContact O-N 3.15Å; I120-V124 HydrophobicContact CG2-CG2 4.37Å; I120-V124 VanDerWaalsContact O-CG2 3.32Å; I120-V124 WeakPolarHBondContact O-CG2 3.35Å; I120-V124 PolarHBondContact O-N 3.36Å |
| 121 | D | 98.4 | Very high | 97.8 | Very high | 83 Ų | 83 | 101.7 Ų | 101.7 | 44% | 0.444 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.9 | -38.1 | 178.3 | -76.1 | -19.4 | 0 | 0 | 0 | 111.7 | I117 S118 V124 R125 | I117-D121 WeakPolarHBondContact O-CB 3.32Å; I117-D121 PolarHBondContact O-N 3.15Å; S118-D121 PolarHBondContact O-N 3.45Å; D121-V124 PolarHBondContact O-N 3.48Å; D121-R125 WeakPolarHBondContact O-CG 3.45Å; D121-R125 PolarHBondContact O-N 3.07Å; D121-R125 VanDerWaalsContact O-N 3.07Å; D121-R125 PolarHBondContact O-NE 3.39Å |
| 122 | D | 98.3 | Very high | 97.7 | Very high | 63 Ų | 63 | 105.3 Ų | 105.3 | 34% | 0.337 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 171.4 | -81.9 | -10.4 | 0 | 0 | 0 | 112.6 | S118 D119 I120 R125 K126 | S118-D122 PolarHBondContact O-N 2.95Å; D119-D122 PolarHBondContact O-N 3.4Å; I120-D122 VanDerWaalsContact C-N 3.33Å; I120-D122 PolarHBondContact O-N 3.48Å; D122-R125 IonicContact OD1-CZ 2.64Å; D122-R125 IonicContact OD1-NE 3.62Å; D122-R125 IonicContact OD1-NH2 2.77Å; D122-R125 PolarHBondContact OD1-NH2 3.36Å; D122-K126 WeakPolarHBondContact O-CD 3.31Å; D122-K126 VanDerWaalsContact O-CG 3.31Å; D122-K126 WeakPolarHBondContact O-CG 3.46Å; D122-K126 PolarHBondContact O-N 3.4Å |
| 123 | A | 98.3 | Very high | 97.7 | Very high | 50 Ų | 50 | 106.1 Ų | 106.1 | 41% | 0.413 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.9 | -41.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | D119 I120 R125 K126 L127 | D119-A123 WeakPolarHBondContact O-CB 3.5Å; D119-A123 PolarHBondContact O-N 3.17Å; I120-A123 WeakPolarHBondContact O-CB 3.43Å; I120-A123 PolarHBondContact O-N 2.61Å; I120-A123 VanDerWaalsContact O-N 3.15Å; A123-R125 VanDerWaalsContact C-N 3.32Å; A123-R125 PolarHBondContact O-N 3.37Å; A123-K126 PolarHBondContact O-N 3.36Å; A123-L127 PolarHBondContact O-N 3.49Å |
| 124 | V | 98.1 | Very high | 97.7 | Very high | 93 Ų | 93 | 109.4 Ų | 109.4 | 56% | 0.564 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.1 | -39.4 | 176.4 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | I120 D121 K126 L127 | I120-V124 HydrophobicContact CG2-CG2 4.37Å; I120-V124 VanDerWaalsContact O-CG2 3.32Å; I120-V124 WeakPolarHBondContact O-CG2 3.35Å; I120-V124 PolarHBondContact O-N 3.36Å; D121-V124 PolarHBondContact O-N 3.48Å; V124-K126 VanDerWaalsContact C-N 3.26Å; V124-K126 PolarHBondContact O-N 3.22Å; V124-L127 PolarHBondContact O-N 3.45Å |
| 125 | R | 97.4 | Very high | 97.6 | Very high | 183 Ų | 183 | 109.8 Ų | 109.8 | 69% | 0.691 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.1 | -20.3 | 178 | -75.8 | -176.3 | -73.9 | -157.4 | -2.4 | 114.5 | D121 D122 A123 | D121-R125 WeakPolarHBondContact O-CG 3.45Å; D121-R125 PolarHBondContact O-N 3.07Å; D121-R125 VanDerWaalsContact O-N 3.07Å; D121-R125 PolarHBondContact O-NE 3.39Å; D122-R125 IonicContact OD1-CZ 2.64Å; D122-R125 IonicContact OD1-NE 3.62Å; D122-R125 IonicContact OD1-NH2 2.77Å; D122-R125 PolarHBondContact OD1-NH2 3.36Å; A123-R125 VanDerWaalsContact C-N 3.32Å; A123-R125 PolarHBondContact O-N 3.37Å |
| 126 | K | 96.9 | Very high | 97.5 | Very high | 169 Ų | 169 | 107.3 Ų | 107.3 | 74% | 0.735 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -88 | -14.5 | 179.8 | -72.5 | 168.3 | -175 | 166.9 | 0 | 113 | D122 A123 V124 | D122-K126 WeakPolarHBondContact O-CD 3.31Å; D122-K126 VanDerWaalsContact O-CG 3.31Å; D122-K126 WeakPolarHBondContact O-CG 3.46Å; D122-K126 PolarHBondContact O-N 3.4Å; A123-K126 PolarHBondContact O-N 3.36Å; V124-K126 VanDerWaalsContact C-N 3.26Å; V124-K126 PolarHBondContact O-N 3.22Å |
| 127 | L | 92.7 | Very high | 97.5 | Very high | 208 Ų | 208 | 107.7 Ų | 107.7 | 100% | 1.089 | 56% | 0.56 | S | S | * | * | trans | -101 | 0 | 178.7 | -66.3 | 177 | 0 | 0 | 0 | 111.1 | A123 V124 | A123-L127 PolarHBondContact O-N 3.49Å; V124-L127 PolarHBondContact O-N 3.45Å |
Retrieved 127 of 127 residues in 273.9 ms
(Link to these results)