| Chain sequence(s) |
A: QAVLTQPSSLSASPGASASLTCTLRSGINVGTYRMYWFQQKPGSPPQYLLRYKSDSDKQQGSGVPSRFSGSSDASANAGILLISGLQSEDEADYYCMIWHSSAWVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECQVQLVQSGAEVKKPGASVKVPCKASGYSFTTYGVSWIRQAPGQGLEWVGWSSGYNGNTNYAQKFQGRVTLTTDTSTSTAYMELRSLTSDDTAVYYCTRDGDYYGSSKKWEAVDAFDIWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKT
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:01:28)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:01:28)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:01:28)
[INFO] runJob: Creating pdb object from: input.pdb (00:01:28)
[INFO] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:01:29)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:01:32)
[CRITICAL] pyMol: Pymol encountered an error: /bin/sh: pymol: command not found Movie
creation failed. (00:01:32)
[INFO] Main: Simulation completed successfully. (00:01:56)
|
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 | |
| 1 | Q | A | -1.3166 | |
| 2 | A | A | -0.6866 | |
| 3 | V | A | -0.3712 | |
| 4 | L | A | 0.0000 | |
| 5 | T | A | -0.5897 | |
| 6 | Q | A | -0.5365 | |
| 8 | P | A | -0.4896 | |
| 9 | S | A | -0.7334 | |
| 10 | S | A | -0.3491 | |
| 11 | L | A | 0.2318 | |
| 12 | S | A | -0.0520 | |
| 13 | A | A | -0.4051 | |
| 14 | S | A | -0.8835 | |
| 15 | P | A | -0.9448 | |
| 16 | G | A | -0.8827 | |
| 17 | A | A | -0.5499 | |
| 18 | S | A | -0.4144 | |
| 19 | A | A | 0.0000 | |
| 20 | S | A | 0.1813 | |
| 21 | L | A | 0.0000 | |
| 22 | T | A | 0.0343 | |
| 23 | C | A | 0.0000 | |
| 24 | T | A | -0.5898 | |
| 25 | L | A | 0.0000 | |
| 26 | R | A | -1.6442 | |
| 27 | S | A | -1.1570 | |
| 28 | G | A | -1.0521 | |
| 29 | I | A | -0.8338 | |
| 30 | N | A | -1.3502 | |
| 30A | V | A | 0.0000 | |
| 30B | G | A | -1.0019 | |
| 30C | T | A | -0.5713 | |
| 30D | Y | A | -0.4700 | |
| 30E | R | A | -0.9874 | |
| 33 | M | A | 0.0000 | |
| 34 | Y | A | 0.0000 | |
| 35 | W | A | 0.0000 | |
| 36 | F | A | 0.0000 | |
| 37 | Q | A | -0.8520 | |
| 38 | Q | A | 0.0000 | |
| 39 | K | A | -1.5050 | |
| 40 | P | A | -1.0131 | |
| 41 | G | A | -0.9773 | |
| 42 | S | A | -1.1006 | |
| 43 | P | A | -0.9267 | |
| 44 | P | A | 0.0000 | |
| 45 | Q | A | -1.5014 | |
| 46 | Y | A | -0.9438 | |
| 47 | L | A | 0.0000 | |
| 49 | L | A | 0.0000 | |
| 50 | R | A | -1.5177 | |
| 51 | Y | A | 0.0000 | |
| 51A | K | A | -2.0969 | |
| 51B | S | A | -2.2838 | |
| 51C | D | A | -2.8176 | |
| 51$ | S | A | -1.9249 | |
| 51% | D | A | -2.4223 | |
| 52 | K | A | -3.3729 | |
| 53 | Q | A | -2.5522 | |
| 54 | Q | A | -1.7913 | |
| 55 | G | A | -1.2396 | |
| 56 | S | A | -0.7845 | |
| 57 | G | A | -0.7699 | |
| 58 | V | A | 0.0000 | |
| 59 | P | A | -0.7493 | |
| 60 | S | A | -0.7073 | |
| 61 | R | A | -0.5258 | |
| 62 | F | A | 0.0000 | |
| 63 | S | A | -0.5145 | |
| 64 | G | A | -0.8125 | |
| 65 | S | A | -0.9055 | |
| 65A | S | A | -0.9313 | |
| 65B | D | A | -0.9649 | |
| 66 | A | A | -0.7754 | |
| 67 | S | A | -0.6191 | |
| 68 | A | A | -0.5392 | |
| 69 | N | A | -1.0277 | |
| 70 | A | A | 0.0000 | |
| 71 | G | A | 0.0000 | |
| 72 | I | A | 0.1137 | |
| 73 | L | A | 0.0000 | |
| 74 | L | A | 0.4315 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | -0.4591 | |
| 77 | G | A | -0.7216 | |
| 78 | L | A | 0.0000 | |
| 79 | Q | A | -1.5304 | |
| 80 | S | A | -1.6419 | |
| 81 | E | A | -1.9471 | |
| 82 | D | A | 0.0000 | |
| 83 | E | A | -1.5604 | |
| 84 | A | A | 0.0000 | |
| 85 | D | A | -1.0081 | |
| 86 | Y | A | 0.0000 | |
| 87 | Y | A | 0.0000 | |
| 88 | C | A | 0.0000 | |
| 89 | M | A | 0.0000 | |
| 90 | I | A | 0.0000 | |
| 91 | W | A | 0.3956 | |
| 92 | H | A | -0.0396 | |
| 93 | S | A | -0.3458 | |
| 93A | S | A | -0.7785 | |
| 93B | A | A | -0.4627 | |
| 93C | W | A | 0.0000 | |
| 93D | V | A | 0.2756 | |
| 98 | F | A | 0.1337 | |
| 99 | G | A | 0.0000 | |
| 100 | G | A | -0.8886 | |
| 101 | G | A | 0.0000 | |
| 102 | T | A | 0.0000 | |
| 103 | K | A | -0.7785 | |
| 104 | L | A | 0.0000 | |
| 105 | T | A | 0.0000 | |
| 106 | V | A | 0.0000 | |
| 107 | L | A | 0.0000 | |
| 108 | G | A | -2.0043 | |
| 117 | Q | A | -2.3123 | |
| 118 | P | A | -1.8711 | |
| 119 | K | A | -2.5757 | |
| 120 | A | A | -1.5656 | |
| 121 | A | A | -0.8857 | |
| 122 | P | A | -0.6126 | |
| 123 | S | A | -0.2200 | |
| 124 | V | A | 0.0000 | |
| 125 | T | A | -0.4937 | |
| 126 | L | A | 0.0000 | |
| 127 | F | A | 0.0000 | |
| 128 | P | A | 0.0000 | |
| 129 | P | A | 0.0000 | |
| 130 | S | A | 0.0000 | |
| 131 | S | A | -1.1012 | |
| 132 | E | A | -1.6400 | |
| 133 | E | A | 0.0000 | |
| 134 | L | A | -1.5474 | |
| 135 | Q | A | -2.0178 | |
| 136 | A | A | -1.5699 | |
| 137 | N | A | -2.3244 | |
| 138 | K | A | -1.9419 | |
| 139 | A | A | 0.0000 | |
| 140 | T | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | V | A | 0.0000 | |
| 143 | C | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | S | A | 0.0000 | |
| 147 | D | A | -0.9232 | |
| 148 | F | A | 0.0000 | |
| 149 | Y | A | 0.0000 | |
| 150 | P | A | -1.0926 | |
| 151 | G | A | -0.4541 | |
| 152 | A | A | -0.0157 | |
| 153 | V | A | 0.0000 | |
| 154 | T | A | 0.1054 | |
| 155 | V | A | 0.0000 | |
| 156 | A | A | -0.4329 | |
| 157 | W | A | 0.0000 | |
| 158 | K | A | -0.8694 | |
| 159 | A | A | 0.0000 | |
| 160 | D | A | -1.9165 | |
| 161 | S | A | -1.1388 | |
| 162 | S | A | -0.7954 | |
| 163 | P | A | -0.7721 | |
| 164 | V | A | -0.4976 | |
| 165 | K | A | -1.5630 | |
| 166 | A | A | -0.5863 | |
| 167 | G | A | -0.1529 | |
| 168 | V | A | 0.9216 | |
| 169 | E | A | -0.5593 | |
| 170 | T | A | -0.4608 | |
| 171 | T | A | -0.2168 | |
| 172 | T | A | 0.0000 | |
| 173 | P | A | -0.6366 | |
| 174 | S | A | -1.0979 | |
| 175 | K | A | -1.6011 | |
| 176 | Q | A | -2.0324 | |
| 177 | S | A | -1.8288 | |
| 178 | N | A | -2.4967 | |
| 179 | N | A | 0.0000 | |
| 180 | K | A | -1.6663 | |
| 181 | Y | A | -0.6327 | |
| 182 | A | A | 0.0000 | |
| 183 | A | A | 0.0000 | |
| 184 | S | A | 0.0407 | |
| 185 | S | A | 0.1804 | |
| 186 | Y | A | 0.4269 | |
| 187 | L | A | 0.0000 | |
| 188 | S | A | -0.0231 | |
| 189 | L | A | -0.3312 | |
| 190 | T | A | -1.4565 | |
| 191 | P | A | -2.0446 | |
| 192 | E | A | -2.7712 | |
| 193 | Q | A | -2.0969 | |
| 194 | W | A | -1.8159 | |
| 195 | K | A | -2.8238 | |
| 196 | S | A | -2.1764 | |
| 197 | H | A | -2.0804 | |
| 198 | R | A | -2.2462 | |
| 199 | S | A | -1.6039 | |
| 200 | Y | A | 0.0000 | |
| 201 | S | A | 0.0000 | |
| 202 | C | A | 0.0000 | |
| 203 | Q | A | -1.0508 | |
| 204 | V | A | 0.0000 | |
| 205 | T | A | -0.8021 | |
| 206 | H | A | -1.1218 | |
| 207 | E | A | -2.2304 | |
| 208 | G | A | -1.1497 | |
| 209 | S | A | -0.7163 | |
| 210 | T | A | -0.7073 | |
| 211 | V | A | -0.6087 | |
| 212 | E | A | -1.8053 | |
| 213 | K | A | -1.4711 | |
| 214 | T | A | -0.9835 | |
| 215 | V | A | 0.0000 | |
| 216 | A | A | -1.2132 | |
| 217 | P | A | 0.0000 | |
| 218 | T | A | -1.4903 | |
| 219 | E | A | -1.8835 | |
| 220 | C | A | -0.8259 | |
| 1 | Q | A | -1.0612 | |
| 2 | V | A | -0.3898 | |
| 3 | Q | A | -0.6378 | |
| 4 | L | A | 0.0000 | |
| 5 | V | A | 0.2602 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.4815 | |
| 8 | G | A | -0.5871 | |
| 9 | A | A | 0.0095 | |
| 10 | E | A | 0.0657 | |
| 11 | V | A | 1.1760 | |
| 12 | K | A | -0.2107 | |
| 13 | K | A | -1.0871 | |
| 14 | P | A | -1.4216 | |
| 15 | G | A | -1.0997 | |
| 16 | A | A | -0.8992 | |
| 17 | S | A | -0.9187 | |
| 18 | V | A | 0.0000 | |
| 19 | K | A | -0.9632 | |
| 20 | V | A | 0.0000 | |
| 21 | P | A | -0.2217 | |
| 22 | C | A | 0.0000 | |
| 23 | K | A | -0.5654 | |
| 24 | A | A | 0.0000 | |
| 25 | S | A | -0.4232 | |
| 26 | G | A | -0.5931 | |
| 27 | Y | A | -0.1476 | |
| 28 | S | A | 0.0150 | |
| 29 | F | A | 0.0000 | |
| 30 | T | A | 0.3986 | |
| 30A | T | A | 0.8319 | |
| 31 | Y | A | 0.8516 | |
| 32 | G | A | 0.0000 | |
| 33 | V | A | 0.0000 | |
| 34 | S | A | 0.0000 | |
| 35 | W | A | 0.0000 | |
| 36 | I | A | 0.0000 | |
| 37 | R | A | 0.0000 | |
| 38 | Q | A | 0.0000 | |
| 39 | A | A | -0.8995 | |
| 40 | P | A | -0.7535 | |
| 41 | G | A | -1.2394 | |
| 42 | Q | A | -1.7606 | |
| 43 | G | A | -1.1393 | |
| 44 | L | A | 0.0000 | |
| 45 | E | A | -0.7933 | |
| 46 | W | A | 0.0000 | |
| 47 | V | A | 0.0000 | |
| 48 | G | A | 0.0000 | |
| 49 | W | A | 0.0000 | |
| 50 | S | A | 0.0000 | |
| 51 | S | A | 0.0000 | |
| 51A | G | A | 0.0000 | |
| 52 | Y | A | 0.7546 | |
| 53 | N | A | -1.1413 | |
| 54 | G | A | -1.4530 | |
| 55 | N | A | -1.8137 | |
| 56 | T | A | -1.0520 | |
| 57 | N | A | -0.9965 | |
| 58 | Y | A | -0.8500 | |
| 59 | A | A | 0.0000 | |
| 60 | Q | A | -2.5619 | |
| 61 | K | A | -2.6764 | |
| 62 | F | A | 0.0000 | |
| 63 | Q | A | -2.4589 | |
| 64 | G | A | -1.6801 | |
| 65 | R | A | -1.6483 | |
| 66 | V | A | 0.0000 | |
| 67 | T | A | -0.5947 | |
| 68 | L | A | 0.0000 | |
| 69 | T | A | -0.3800 | |
| 70 | T | A | -0.5588 | |
| 71 | D | A | -0.7767 | |
| 72 | T | A | -0.4722 | |
| 73 | S | A | -0.4437 | |
| 74 | T | A | -0.4896 | |
| 75 | S | A | -0.5617 | |
| 76 | T | A | 0.0000 | |
| 77 | A | A | 0.0000 | |
| 78 | Y | A | -0.0894 | |
| 79 | M | A | 0.0000 | |
| 80 | E | A | -0.7495 | |
| 81 | L | A | 0.0000 | |
| 82 | R | A | -1.2967 | |
| 83 | S | A | -1.0571 | |
| 84 | L | A | 0.0000 | |
| 85 | T | A | -1.3360 | |
| 86 | S | A | -1.4353 | |
| 87 | D | A | -1.9357 | |
| 88 | D | A | 0.0000 | |
| 89 | T | A | -0.5439 | |
| 90 | A | A | 0.0000 | |
| 91 | V | A | 0.2831 | |
| 92 | Y | A | 0.0000 | |
| 93 | Y | A | 0.0000 | |
| 94 | C | A | 0.0000 | |
| 95 | T | A | 0.0000 | |
| 96 | R | A | 0.0000 | |
| 97 | D | A | 0.0000 | |
| 98 | G | A | -0.6624 | |
| 99 | D | A | -0.6089 | |
| 100 | Y | A | 1.4015 | |
| 101 | Y | A | 1.7127 | |
| 102 | G | A | 0.3741 | |
| 102A | S | A | -0.5755 | |
| 102B | S | A | 0.0000 | |
| 102C | K | A | -1.9034 | |
| 102D | K | A | -0.8531 | |
| 102E | W | A | 0.0000 | |
| 102F | E | A | 0.0000 | |
| 102G | A | A | 0.0000 | |
| 102H | V | A | -0.1732 | |
| 102I | D | A | 0.0000 | |
| 102J | A | A | -0.5786 | |
| 102K | F | A | 0.0000 | |
| 103 | D | A | -1.8954 | |
| 104 | I | A | -0.7801 | |
| 105 | W | A | 0.0000 | |
| 106 | G | A | 0.0000 | |
| 107 | Q | A | -1.0212 | |
| 108 | G | A | -0.4592 | |
| 109 | T | A | 0.0000 | |
| 110 | M | A | 0.3766 | |
| 111 | V | A | 0.0000 | |
| 112 | T | A | 0.0000 | |
| 113 | V | A | 0.0000 | |
| 114 | S | A | -0.4415 | |
| 115 | S | A | -0.6701 | |
| 129 | A | A | -0.5000 | |
| 130 | S | A | -0.3465 | |
| 131 | T | A | -0.3832 | |
| 132 | K | A | -0.9718 | |
| 133 | G | A | -1.2475 | |
| 134 | P | A | -0.5402 | |
| 135 | S | A | -0.2479 | |
| 136 | V | A | -0.2204 | |
| 137 | F | A | 0.0000 | |
| 138 | P | A | -0.6049 | |
| 139 | L | A | 0.0000 | |
| 140 | A | A | 0.0000 | |
| 141 | P | A | 0.0000 | |
| 142 | S | A | -0.5751 | |
| 143 | S | A | -0.6928 | |
| 144 | K | A | -0.7273 | |
| 145 | S | A | -0.7792 | |
| 146 | T | A | -0.8246 | |
| 147 | S | A | -0.7519 | |
| 148 | G | A | -0.8733 | |
| 149 | G | A | -0.8599 | |
| 150 | T | A | -0.6666 | |
| 151 | A | A | 0.0000 | |
| 152 | A | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | G | A | 0.0000 | |
| 155 | C | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | K | A | 0.0000 | |
| 159 | D | A | -0.2796 | |
| 160 | Y | A | 0.0000 | |
| 161 | F | A | 0.0000 | |
| 162 | P | A | 0.0000 | |
| 163 | E | A | -0.6064 | |
| 164 | P | A | -0.9116 | |
| 165 | V | A | 0.0000 | |
| 166 | T | A | -0.6557 | |
| 167 | V | A | -0.3518 | |
| 168 | S | A | -0.3189 | |
| 169 | W | A | 0.0000 | |
| 170 | N | A | -0.7544 | |
| 171 | S | A | -0.6934 | |
| 172 | G | A | -0.4310 | |
| 173 | A | A | -0.2688 | |
| 174 | L | A | -0.0435 | |
| 175 | T | A | -0.1843 | |
| 176 | S | A | -0.1888 | |
| 177 | G | A | -0.2680 | |
| 178 | V | A | 0.1733 | |
| 179 | H | A | 0.0000 | |
| 180 | T | A | 0.0509 | |
| 181 | F | A | 0.0000 | |
| 182 | P | A | -0.1686 | |
| 183 | A | A | 0.2746 | |
| 184 | V | A | 0.5701 | |
| 185 | L | A | 1.3367 | |
| 186 | Q | A | 0.4407 | |
| 187 | S | A | -0.0116 | |
| 188 | S | A | -0.1629 | |
| 189 | G | A | 0.0343 | |
| 190 | L | A | 0.1306 | |
| 191 | Y | A | 0.0000 | |
| 192 | S | A | 0.0000 | |
| 193 | L | A | 0.0000 | |
| 194 | S | A | 0.0000 | |
| 195 | S | A | 0.0000 | |
| 196 | V | A | 0.0000 | |
| 197 | V | A | 0.0000 | |
| 198 | T | A | -0.2097 | |
| 199 | V | A | 0.0000 | |
| 200 | P | A | -0.6094 | |
| 201 | S | A | 0.0000 | |
| 202 | S | A | -0.8908 | |
| 203 | S | A | -0.8471 | |
| 204 | L | A | 0.0000 | |
| 205 | G | A | -1.0139 | |
| 206 | T | A | -0.8988 | |
| 207 | Q | A | -1.3138 | |
| 208 | T | A | -1.0791 | |
| 209 | Y | A | 0.0000 | |
| 210 | I | A | -0.8769 | |
| 211 | C | A | 0.0000 | |
| 212 | N | A | 0.0000 | |
| 213 | V | A | 0.0000 | |
| 214 | N | A | -1.9219 | |
| 215 | H | A | 0.0000 | |
| 216 | K | A | -2.7803 | |
| 217 | P | A | -1.4603 | |
| 218 | S | A | -1.8056 | |
| 219 | N | A | -2.4720 | |
| 220 | T | A | -1.9755 | |
| 221 | K | A | -2.4873 | |
| 222 | V | A | -1.2676 | |
| 223 | D | A | -2.3723 | |
| 224 | K | A | -1.8752 | |
| 225 | R | A | -2.2416 | |
| 226 | V | A | 0.0000 | |
| 227 | E | A | -1.3608 | |
| 228 | P | A | -0.8466 | |
| 229 | K | A | -0.9232 | |
| 230 | S | A | -1.2118 | |
| 231 | C | A | -1.4936 | |
| 232 | D | A | -2.7096 | |
| 233 | K | A | -2.7259 | |
| 234 | T | A | -1.4531 |
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