| Chain sequence(s) |
A: PRDYNPISSTICHLTNESDGHTTSLYGIGFGPFIITNKHLFRRNNGTLLVQSLHGVFKVKNTTTLQQHLIDGRDMIIIRMPKDFPPFPQKLKFREPQREERICLVTTNFQTKSMSSMVSDTSCTFPSSDGIFWKHWIQTKDGQAGSPLVSTRDGFIVGIHSASNFTNTNNYFTSVPKNFMELLTNQEAQQWVSGWRLNADSVLWGGHKVFMSKP
C: TENLYFQSGT B: PRDYNPISSTICHLTNESDGHTTSLYGIGFGPFIITNKHLFRRNNGTLLVQSLHGVFKVKNTTTLQQHLIDGRDMIIIRMPKDFPPFPQKLKFREPQREERICLVTTNFQTKSMSSMVSDTSCTFPSSDGIFWKHWIQTKDGQAGSPLVSTRDGFIVGIHSASNFTNTNNYFTSVPKNFMELLTNQEAQQWVSGWRLNADSVLWGGHKVFMSKP D: TENLYFQSGT input PDB |
| Selected Chain(s) | A,C,B,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:22)
[INFO] Main: Simulation completed successfully. (00:06:26)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 8 | P | A | -1.0616 | |
| 9 | R | A | -1.8935 | |
| 10 | D | A | -1.3995 | |
| 11 | Y | A | -0.6748 | |
| 12 | N | A | 0.0000 | |
| 13 | P | A | -0.3410 | |
| 14 | I | A | 0.0000 | |
| 15 | S | A | 0.0000 | |
| 16 | S | A | -0.1620 | |
| 17 | T | A | 0.0000 | |
| 18 | I | A | 0.0000 | |
| 19 | C | A | 0.0000 | |
| 20 | H | A | -0.2601 | |
| 21 | L | A | 0.0000 | |
| 22 | T | A | -0.5766 | |
| 23 | N | A | 0.0000 | |
| 24 | E | A | -2.4485 | |
| 25 | S | A | 0.0000 | |
| 26 | D | A | -2.6451 | |
| 27 | G | A | -2.0325 | |
| 28 | H | A | -2.2660 | |
| 29 | T | A | -1.6924 | |
| 30 | T | A | 0.0000 | |
| 31 | S | A | 0.0000 | |
| 32 | L | A | 0.0000 | |
| 33 | Y | A | 0.0000 | |
| 34 | G | A | 0.0000 | |
| 35 | I | A | 0.0000 | |
| 36 | G | A | 0.0000 | |
| 37 | F | A | 0.0000 | |
| 38 | G | A | 0.0000 | |
| 39 | P | A | -1.0334 | |
| 40 | F | A | 0.0000 | |
| 41 | I | A | 0.0000 | |
| 42 | I | A | 0.0000 | |
| 43 | T | A | 0.0000 | |
| 44 | N | A | 0.0000 | |
| 45 | K | A | 0.0000 | |
| 46 | H | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | F | A | 0.0000 | |
| 49 | R | A | -1.7598 | |
| 50 | R | A | -2.8638 | |
| 51 | N | A | 0.0000 | |
| 52 | N | A | -2.7012 | |
| 53 | G | A | -2.4513 | |
| 54 | T | A | -2.1020 | |
| 55 | L | A | 0.0000 | |
| 56 | L | A | -0.5735 | |
| 57 | V | A | 0.0000 | |
| 58 | Q | A | 0.0175 | |
| 59 | S | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | H | A | -0.4275 | |
| 62 | G | A | 0.1065 | |
| 63 | V | A | 0.7470 | |
| 64 | F | A | -0.2983 | |
| 65 | K | A | -1.7231 | |
| 66 | V | A | 0.0000 | |
| 67 | K | A | -2.6981 | |
| 68 | N | A | -2.3270 | |
| 69 | T | A | 0.0000 | |
| 70 | T | A | -1.3357 | |
| 71 | T | A | -0.9042 | |
| 72 | L | A | 0.0000 | |
| 73 | Q | A | -0.9428 | |
| 74 | Q | A | 0.0000 | |
| 75 | H | A | 0.0000 | |
| 76 | L | A | -0.3327 | |
| 77 | I | A | 0.0000 | |
| 78 | D | A | -1.9159 | |
| 79 | G | A | -1.1034 | |
| 80 | R | A | -0.8486 | |
| 81 | D | A | 0.0000 | |
| 82 | M | A | 0.0000 | |
| 83 | I | A | 0.0000 | |
| 84 | I | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | R | A | -1.1138 | |
| 87 | M | A | 0.0000 | |
| 88 | P | A | -1.9621 | |
| 89 | K | A | -2.7671 | |
| 90 | D | A | -2.6853 | |
| 91 | F | A | 0.0000 | |
| 92 | P | A | -1.0439 | |
| 93 | P | A | -1.0466 | |
| 94 | F | A | 0.0000 | |
| 95 | P | A | -1.1356 | |
| 96 | Q | A | -2.0465 | |
| 97 | K | A | -2.0627 | |
| 98 | L | A | 0.0000 | |
| 99 | K | A | -1.8882 | |
| 100 | F | A | 0.0000 | |
| 101 | R | A | -1.2668 | |
| 102 | E | A | -1.5364 | |
| 103 | P | A | 0.0000 | |
| 104 | Q | A | -2.0460 | |
| 105 | R | A | -2.7881 | |
| 106 | E | A | -2.6802 | |
| 107 | E | A | 0.0000 | |
| 108 | R | A | -2.1019 | |
| 109 | I | A | 0.0000 | |
| 110 | C | A | 0.0000 | |
| 111 | L | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | T | A | 0.0000 | |
| 114 | T | A | 0.0000 | |
| 115 | N | A | -1.1375 | |
| 116 | F | A | -1.1918 | |
| 117 | Q | A | -1.9127 | |
| 118 | T | A | -1.6900 | |
| 119 | K | A | -2.4481 | |
| 120 | S | A | -1.3234 | |
| 121 | M | A | 0.0000 | |
| 122 | S | A | -0.5264 | |
| 123 | S | A | 0.0000 | |
| 124 | M | A | -0.2016 | |
| 125 | V | A | -0.4602 | |
| 126 | S | A | -1.0507 | |
| 127 | D | A | -2.0910 | |
| 128 | T | A | -1.0240 | |
| 129 | S | A | -0.3913 | |
| 130 | C | A | 0.0378 | |
| 131 | T | A | 0.0000 | |
| 132 | F | A | 0.6290 | |
| 133 | P | A | -0.1156 | |
| 134 | S | A | 0.0000 | |
| 135 | S | A | -1.0446 | |
| 136 | D | A | -1.9516 | |
| 137 | G | A | -0.8399 | |
| 138 | I | A | -0.8488 | |
| 139 | F | A | 0.0000 | |
| 140 | W | A | 0.0000 | |
| 141 | K | A | 0.2911 | |
| 142 | H | A | 0.0000 | |
| 143 | W | A | 0.1458 | |
| 144 | I | A | 0.0000 | |
| 145 | Q | A | -1.7716 | |
| 146 | T | A | 0.0000 | |
| 147 | K | A | -3.0408 | |
| 148 | D | A | -2.9743 | |
| 149 | G | A | -1.6111 | |
| 150 | Q | A | -1.6089 | |
| 151 | A | A | 0.0000 | |
| 152 | G | A | 0.0000 | |
| 153 | S | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | V | A | 0.0000 | |
| 157 | S | A | 0.0000 | |
| 158 | T | A | -1.7384 | |
| 159 | R | A | -2.4046 | |
| 160 | D | A | -1.6072 | |
| 161 | G | A | -1.1497 | |
| 162 | F | A | -0.6940 | |
| 163 | I | A | 0.0000 | |
| 164 | V | A | 0.0000 | |
| 165 | G | A | 0.0000 | |
| 166 | I | A | 0.0000 | |
| 167 | H | A | 0.0000 | |
| 168 | S | A | 0.0000 | |
| 169 | A | A | 0.0000 | |
| 170 | S | A | 0.0000 | |
| 171 | N | A | 0.0000 | |
| 172 | F | A | -0.1479 | |
| 173 | T | A | -0.2681 | |
| 174 | N | A | -1.1565 | |
| 175 | T | A | -0.4925 | |
| 176 | N | A | -0.5589 | |
| 177 | N | A | 0.0000 | |
| 178 | Y | A | 0.0000 | |
| 179 | F | A | 0.0000 | |
| 180 | T | A | 0.0000 | |
| 181 | S | A | 0.0000 | |
| 182 | V | A | 0.0000 | |
| 183 | P | A | -1.5253 | |
| 184 | K | A | -2.6633 | |
| 185 | N | A | -2.6485 | |
| 186 | F | A | 0.0000 | |
| 187 | M | A | -1.5551 | |
| 188 | E | A | -2.7198 | |
| 189 | L | A | -1.9744 | |
| 190 | L | A | 0.0000 | |
| 191 | T | A | -1.4509 | |
| 192 | N | A | -2.1345 | |
| 193 | Q | A | -2.7100 | |
| 194 | E | A | -2.9624 | |
| 195 | A | A | -2.1630 | |
| 196 | Q | A | -1.8045 | |
| 197 | Q | A | -1.4694 | |
| 198 | W | A | -0.4882 | |
| 199 | V | A | 0.1565 | |
| 200 | S | A | -0.2022 | |
| 201 | G | A | -0.8115 | |
| 202 | W | A | -0.7067 | |
| 203 | R | A | -1.7746 | |
| 204 | L | A | -1.5590 | |
| 205 | N | A | -2.0141 | |
| 206 | A | A | -1.6407 | |
| 207 | D | A | -1.9795 | |
| 208 | S | A | -0.8502 | |
| 209 | V | A | 0.2339 | |
| 210 | L | A | 1.0734 | |
| 211 | W | A | 0.0348 | |
| 212 | G | A | -0.6113 | |
| 213 | G | A | -0.9037 | |
| 214 | H | A | 0.0000 | |
| 215 | K | A | -0.7351 | |
| 216 | V | A | 0.0000 | |
| 217 | F | A | -0.6186 | |
| 218 | M | A | 0.0000 | |
| 219 | S | A | -1.1327 | |
| 220 | K | A | -1.2681 | |
| 221 | P | A | -0.6255 | |
| 301 | T | C | -0.9048 | |
| 302 | E | C | -1.3109 | |
| 303 | N | C | -1.3210 | |
| 304 | L | C | 0.0000 | |
| 305 | Y | C | 0.0000 | |
| 306 | F | C | 0.0000 | |
| 307 | Q | C | 0.0000 | |
| 308 | S | C | -0.9549 | |
| 309 | G | C | -0.9849 | |
| 310 | T | C | -0.7046 | |
| 8 | P | B | -1.1776 | |
| 9 | R | B | -2.0184 | |
| 10 | D | B | -1.4887 | |
| 11 | Y | B | -0.7971 | |
| 12 | N | B | 0.0000 | |
| 13 | P | B | -0.3740 | |
| 14 | I | B | 0.0000 | |
| 15 | S | B | 0.0000 | |
| 16 | S | B | -0.1541 | |
| 17 | T | B | 0.0000 | |
| 18 | I | B | 0.0000 | |
| 19 | C | B | 0.0000 | |
| 20 | H | B | -0.2152 | |
| 21 | L | B | 0.0000 | |
| 22 | T | B | -0.4962 | |
| 23 | N | B | 0.0000 | |
| 24 | E | B | -2.3421 | |
| 25 | S | B | 0.0000 | |
| 26 | D | B | -2.7212 | |
| 27 | G | B | -2.0029 | |
| 28 | H | B | -2.2831 | |
| 29 | T | B | -1.6409 | |
| 30 | T | B | -0.8282 | |
| 31 | S | B | -0.4573 | |
| 32 | L | B | 0.0000 | |
| 33 | Y | B | 0.0000 | |
| 34 | G | B | 0.0000 | |
| 35 | I | B | 0.0000 | |
| 36 | G | B | 0.0000 | |
| 37 | F | B | 0.0000 | |
| 38 | G | B | 0.0000 | |
| 39 | P | B | -0.9986 | |
| 40 | F | B | 0.0000 | |
| 41 | I | B | 0.0000 | |
| 42 | I | B | 0.0000 | |
| 43 | T | B | 0.0000 | |
| 44 | N | B | 0.0000 | |
| 45 | K | B | 0.0000 | |
| 46 | H | B | 0.0000 | |
| 47 | L | B | 0.0000 | |
| 48 | F | B | 0.0000 | |
| 49 | R | B | -1.8566 | |
| 50 | R | B | -2.3159 | |
| 51 | N | B | 0.0000 | |
| 52 | N | B | -2.5291 | |
| 53 | G | B | -2.3936 | |
| 54 | T | B | -2.0187 | |
| 55 | L | B | 0.0000 | |
| 56 | L | B | -0.2886 | |
| 57 | V | B | 0.0000 | |
| 58 | Q | B | 0.2223 | |
| 59 | S | B | 0.0000 | |
| 60 | L | B | 0.0000 | |
| 61 | H | B | -0.3535 | |
| 62 | G | B | 0.2701 | |
| 63 | V | B | 1.0021 | |
| 64 | F | B | 0.0549 | |
| 65 | K | B | -1.1254 | |
| 66 | V | B | 0.0000 | |
| 67 | K | B | -2.5715 | |
| 68 | N | B | -2.3281 | |
| 69 | T | B | 0.0000 | |
| 70 | T | B | -1.3124 | |
| 71 | T | B | -0.9520 | |
| 72 | L | B | 0.0000 | |
| 73 | Q | B | -0.9682 | |
| 74 | Q | B | 0.0000 | |
| 75 | H | B | 0.0000 | |
| 76 | L | B | -0.3344 | |
| 77 | I | B | 0.0000 | |
| 78 | D | B | -1.9617 | |
| 79 | G | B | -1.1554 | |
| 80 | R | B | -0.7411 | |
| 81 | D | B | 0.0000 | |
| 82 | M | B | 0.0000 | |
| 83 | I | B | 0.0000 | |
| 84 | I | B | 0.0000 | |
| 85 | I | B | 0.0000 | |
| 86 | R | B | -1.0804 | |
| 87 | M | B | 0.0000 | |
| 88 | P | B | -1.8913 | |
| 89 | K | B | -2.7616 | |
| 90 | D | B | -2.6845 | |
| 91 | F | B | 0.0000 | |
| 92 | P | B | -1.0503 | |
| 93 | P | B | -1.0402 | |
| 94 | F | B | 0.0000 | |
| 95 | P | B | -1.2108 | |
| 96 | Q | B | -2.1034 | |
| 97 | K | B | -2.1929 | |
| 98 | L | B | 0.0000 | |
| 99 | K | B | -1.7375 | |
| 100 | F | B | 0.0000 | |
| 101 | R | B | -1.3351 | |
| 102 | E | B | -1.6226 | |
| 103 | P | B | 0.0000 | |
| 104 | Q | B | -2.5319 | |
| 105 | R | B | -3.0789 | |
| 106 | E | B | -2.9874 | |
| 107 | E | B | 0.0000 | |
| 108 | R | B | -2.5973 | |
| 109 | I | B | 0.0000 | |
| 110 | C | B | 0.0000 | |
| 111 | L | B | 0.0000 | |
| 112 | V | B | 0.0000 | |
| 113 | T | B | 0.0000 | |
| 114 | T | B | 0.0000 | |
| 115 | N | B | -1.0660 | |
| 116 | F | B | -0.9958 | |
| 117 | Q | B | -1.5913 | |
| 118 | T | B | -1.2118 | |
| 119 | K | B | -1.4609 | |
| 120 | S | B | -0.7997 | |
| 121 | M | B | 0.0000 | |
| 122 | S | B | -0.5179 | |
| 123 | S | B | 0.0000 | |
| 124 | M | B | -0.5841 | |
| 125 | V | B | -0.7824 | |
| 126 | S | B | -1.2629 | |
| 127 | D | B | -2.0630 | |
| 128 | T | B | -1.1474 | |
| 129 | S | B | -0.7527 | |
| 130 | C | B | -0.4216 | |
| 131 | T | B | 0.0000 | |
| 132 | F | B | 0.3667 | |
| 133 | P | B | -0.4667 | |
| 134 | S | B | 0.0000 | |
| 135 | S | B | -1.0389 | |
| 136 | D | B | -1.9688 | |
| 137 | G | B | -0.8786 | |
| 138 | I | B | -0.8540 | |
| 139 | F | B | 0.0000 | |
| 140 | W | B | 0.0000 | |
| 141 | K | B | 0.1950 | |
| 142 | H | B | 0.0000 | |
| 143 | W | B | -0.1044 | |
| 144 | I | B | 0.0000 | |
| 145 | Q | B | -1.8325 | |
| 146 | T | B | 0.0000 | |
| 147 | K | B | -2.7100 | |
| 148 | D | B | -2.2796 | |
| 149 | G | B | -1.2727 | |
| 150 | Q | B | -1.2264 | |
| 151 | A | B | 0.0000 | |
| 152 | G | B | 0.0000 | |
| 153 | S | B | 0.0000 | |
| 154 | P | B | 0.0000 | |
| 155 | L | B | 0.0000 | |
| 156 | V | B | 0.0000 | |
| 157 | S | B | 0.0000 | |
| 158 | T | B | -1.7815 | |
| 159 | R | B | -2.6460 | |
| 160 | D | B | -1.8839 | |
| 161 | G | B | -1.2504 | |
| 162 | F | B | -0.7465 | |
| 163 | I | B | 0.0000 | |
| 164 | V | B | 0.0000 | |
| 165 | G | B | 0.0000 | |
| 166 | I | B | 0.0000 | |
| 167 | H | B | 0.0000 | |
| 168 | S | B | 0.0000 | |
| 169 | A | B | 0.0000 | |
| 170 | S | B | 0.0000 | |
| 171 | N | B | 0.0000 | |
| 172 | F | B | -0.1332 | |
| 173 | T | B | -0.2845 | |
| 174 | N | B | -1.1603 | |
| 175 | T | B | -0.5277 | |
| 176 | N | B | -0.6088 | |
| 177 | N | B | 0.0000 | |
| 178 | Y | B | 0.0000 | |
| 179 | F | B | 0.0000 | |
| 180 | T | B | 0.0000 | |
| 181 | S | B | 0.0000 | |
| 182 | V | B | 0.0000 | |
| 183 | P | B | -1.5363 | |
| 184 | K | B | -2.5946 | |
| 185 | N | B | -2.4744 | |
| 186 | F | B | 0.0000 | |
| 187 | M | B | -1.2144 | |
| 188 | E | B | -2.0992 | |
| 189 | L | B | -1.6588 | |
| 190 | L | B | 0.0000 | |
| 191 | T | B | -1.1687 | |
| 192 | N | B | -1.7971 | |
| 193 | Q | B | -2.5692 | |
| 194 | E | B | -2.8557 | |
| 195 | A | B | -2.0007 | |
| 196 | Q | B | -1.7069 | |
| 197 | Q | B | -1.4516 | |
| 198 | W | B | -0.4241 | |
| 199 | V | B | 0.1611 | |
| 200 | S | B | -0.2225 | |
| 201 | G | B | -0.8010 | |
| 202 | W | B | -0.6680 | |
| 203 | R | B | -1.6516 | |
| 204 | L | B | 0.0000 | |
| 205 | N | B | -2.0200 | |
| 206 | A | B | -1.6427 | |
| 207 | D | B | -2.0409 | |
| 208 | S | B | -0.8045 | |
| 209 | V | B | 0.2034 | |
| 210 | L | B | 1.0523 | |
| 211 | W | B | 0.0156 | |
| 212 | G | B | -0.6672 | |
| 213 | G | B | -0.9037 | |
| 214 | H | B | 0.0000 | |
| 215 | K | B | -0.7248 | |
| 216 | V | B | 0.0000 | |
| 217 | F | B | -0.5120 | |
| 218 | M | B | 0.0000 | |
| 219 | S | B | -0.9367 | |
| 220 | K | B | -1.0396 | |
| 221 | P | B | -0.5420 | |
| 301 | T | D | -0.8967 | |
| 302 | E | D | -1.2853 | |
| 303 | N | D | -1.3261 | |
| 304 | L | D | 0.0000 | |
| 305 | Y | D | 0.0000 | |
| 306 | F | D | 0.0000 | |
| 307 | Q | D | 0.0000 | |
| 308 | S | D | -0.7661 | |
| 309 | G | D | -0.7990 | |
| 310 | T | D | -0.4851 |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine