| Chain sequence(s) |
A: DMVMSQSPSSLAVSAGEKVSMSCKSSQTLLNSRTRKNYLAWYQQKPGQSPKLLIYWASTRESGVPDRFTGSGSGTDFTLTISSVQAEDLAVYYCKQWYNLWTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERAAGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC
B: QVQLQQSGAELAKPGASVKMSCKASGYTFTRYWMHWVKQRPGQGLEWIGYIRPSTGYTEYNQKFKDKATLTADKSSSTVYMQLSSLTSEDSAVYYCARTTVDGYDFAYWGQGTLVTVSAAKTTAPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAHPASSTKVDKKIVPR input PDB |
| Selected Chain(s) | A,B |
| 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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:51)
[INFO] Main: Simulation completed successfully. (00:03:54)
|
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 | D | A | -1.2583 | |
| 2 | M | A | 0.4261 | |
| 3 | V | A | 0.7936 | |
| 4 | M | A | 0.0000 | |
| 5 | S | A | -0.5790 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.8863 | |
| 8 | P | A | -0.5642 | |
| 9 | S | A | -0.7621 | |
| 10 | S | A | -0.7888 | |
| 11 | L | A | 0.0000 | |
| 12 | A | A | -0.6969 | |
| 13 | V | A | 0.0000 | |
| 14 | S | A | -1.4432 | |
| 15 | A | A | -1.3913 | |
| 16 | G | A | -1.4054 | |
| 17 | E | A | -2.3042 | |
| 18 | K | A | -2.4662 | |
| 19 | V | A | -1.1588 | |
| 20 | S | A | -0.6019 | |
| 21 | M | A | 0.0000 | |
| 22 | S | A | -1.0035 | |
| 23 | C | A | 0.0000 | |
| 24 | K | A | -2.3576 | |
| 25 | S | A | 0.0000 | |
| 26 | S | A | -1.2189 | |
| 27 | Q | A | -0.8079 | |
| 28 | T | A | -0.5011 | |
| 29 | L | A | 0.0000 | |
| 30 | L | A | -0.4295 | |
| 31 | N | A | -1.2989 | |
| 32 | S | A | -1.8419 | |
| 33 | R | A | -2.6144 | |
| 34 | T | A | -2.0688 | |
| 35 | R | A | -2.7187 | |
| 36 | K | A | -1.7232 | |
| 37 | N | A | 0.0000 | |
| 38 | Y | A | 0.4894 | |
| 39 | L | A | 0.0000 | |
| 40 | A | A | 0.0000 | |
| 41 | W | A | 0.0000 | |
| 42 | Y | A | 0.0000 | |
| 43 | Q | A | 0.0000 | |
| 44 | Q | A | -1.1541 | |
| 45 | K | A | -1.6605 | |
| 46 | P | A | -1.2760 | |
| 47 | G | A | -1.3788 | |
| 48 | Q | A | -2.1116 | |
| 49 | S | A | -1.4301 | |
| 50 | P | A | 0.0000 | |
| 51 | K | A | -1.3349 | |
| 52 | L | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | I | A | 0.0000 | |
| 55 | Y | A | 0.1155 | |
| 56 | W | A | 0.0344 | |
| 57 | A | A | 0.0000 | |
| 58 | S | A | -0.4957 | |
| 59 | T | A | -0.4440 | |
| 60 | R | A | -1.2292 | |
| 61 | E | A | -0.9527 | |
| 62 | S | A | -0.7327 | |
| 63 | G | A | -0.9296 | |
| 64 | V | A | -1.0420 | |
| 65 | P | A | -1.3137 | |
| 66 | D | A | -2.1727 | |
| 67 | R | A | -1.6649 | |
| 68 | F | A | 0.0000 | |
| 69 | T | A | -0.7665 | |
| 70 | G | A | -0.4150 | |
| 71 | S | A | -0.6648 | |
| 72 | G | A | -1.1602 | |
| 73 | S | A | -1.0326 | |
| 74 | G | A | -0.9120 | |
| 75 | T | A | -1.5259 | |
| 76 | D | A | -2.5710 | |
| 77 | F | A | 0.0000 | |
| 78 | T | A | -0.9107 | |
| 79 | L | A | 0.0000 | |
| 80 | T | A | -0.5246 | |
| 81 | I | A | 0.0000 | |
| 82 | S | A | -1.7057 | |
| 83 | S | A | -1.7660 | |
| 84 | V | A | 0.0000 | |
| 85 | Q | A | -1.6496 | |
| 86 | A | A | -2.2185 | |
| 87 | E | A | -2.6537 | |
| 88 | D | A | 0.0000 | |
| 89 | L | A | -1.2597 | |
| 90 | A | A | 0.0000 | |
| 91 | V | A | -0.5319 | |
| 92 | Y | A | 0.0000 | |
| 93 | Y | A | -0.2505 | |
| 94 | C | A | 0.0000 | |
| 95 | K | A | 0.0000 | |
| 96 | Q | A | 0.0000 | |
| 97 | W | A | 1.2046 | |
| 98 | Y | A | 1.5093 | |
| 99 | N | A | 0.7684 | |
| 100 | L | A | 0.9248 | |
| 101 | W | A | 0.0000 | |
| 102 | T | A | 0.0000 | |
| 103 | F | A | 0.0000 | |
| 104 | G | A | 0.0000 | |
| 105 | G | A | -0.6171 | |
| 106 | G | A | -0.7787 | |
| 107 | T | A | 0.0000 | |
| 108 | K | A | -1.1091 | |
| 109 | L | A | 0.0000 | |
| 110 | E | A | -1.1709 | |
| 111 | I | A | 0.0000 | |
| 112 | K | A | -2.0455 | |
| 113 | R | A | -1.9386 | |
| 114 | A | A | -1.3802 | |
| 115 | D | A | -2.4552 | |
| 116 | A | A | -1.4521 | |
| 117 | A | A | -0.7895 | |
| 118 | P | A | 0.0000 | |
| 119 | T | A | -0.3762 | |
| 120 | V | A | 0.0000 | |
| 121 | S | A | -0.0241 | |
| 122 | I | A | 0.0943 | |
| 123 | F | A | 0.0000 | |
| 124 | P | A | 0.0000 | |
| 125 | P | A | 0.0000 | |
| 126 | S | A | 0.0000 | |
| 127 | S | A | -0.9267 | |
| 128 | E | A | -1.4700 | |
| 129 | Q | A | 0.0000 | |
| 130 | L | A | -0.9939 | |
| 131 | T | A | -0.7528 | |
| 132 | S | A | -0.7814 | |
| 133 | G | A | -1.1346 | |
| 134 | G | A | -1.0625 | |
| 135 | A | A | 0.0000 | |
| 136 | S | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | V | A | 0.0000 | |
| 139 | C | A | 0.0000 | |
| 140 | F | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | N | A | -0.6247 | |
| 143 | N | A | -1.3027 | |
| 144 | F | A | 0.0000 | |
| 145 | Y | A | 0.0000 | |
| 146 | P | A | -2.3266 | |
| 147 | K | A | -2.7240 | |
| 148 | D | A | -2.8790 | |
| 149 | I | A | -1.7805 | |
| 150 | N | A | -2.0222 | |
| 151 | V | A | -0.8137 | |
| 152 | K | A | -1.6434 | |
| 153 | W | A | 0.0000 | |
| 154 | K | A | -2.0616 | |
| 155 | I | A | -1.9457 | |
| 156 | D | A | -2.6189 | |
| 157 | G | A | -1.9717 | |
| 158 | S | A | -2.1035 | |
| 159 | E | A | -2.7055 | |
| 160 | R | A | -1.6501 | |
| 161 | A | A | -0.5608 | |
| 162 | A | A | -0.1337 | |
| 163 | G | A | -0.0028 | |
| 164 | V | A | 0.1745 | |
| 165 | L | A | 0.0460 | |
| 166 | N | A | -0.3888 | |
| 167 | S | A | -0.0423 | |
| 168 | W | A | 0.0318 | |
| 169 | T | A | -0.5230 | |
| 170 | D | A | -1.4455 | |
| 171 | Q | A | 0.0000 | |
| 172 | D | A | -2.5280 | |
| 173 | S | A | -2.6392 | |
| 174 | K | A | -3.4444 | |
| 175 | D | A | -3.3435 | |
| 176 | S | A | 0.0000 | |
| 177 | T | A | 0.0000 | |
| 178 | Y | A | 0.0000 | |
| 179 | S | A | 0.0000 | |
| 180 | M | A | 0.0000 | |
| 181 | S | A | 0.0000 | |
| 182 | S | A | 0.0000 | |
| 183 | T | A | 0.0000 | |
| 184 | L | A | 0.0000 | |
| 185 | T | A | -0.0414 | |
| 186 | L | A | 0.0000 | |
| 187 | T | A | -1.6591 | |
| 188 | K | A | -2.5519 | |
| 189 | D | A | -3.4106 | |
| 190 | E | A | -2.6990 | |
| 191 | Y | A | 0.0000 | |
| 192 | E | A | -3.9346 | |
| 193 | R | A | -3.6178 | |
| 194 | H | A | -2.8572 | |
| 195 | N | A | -2.5936 | |
| 196 | S | A | -1.7987 | |
| 197 | Y | A | 0.0000 | |
| 198 | T | A | 0.0000 | |
| 199 | C | A | 0.0000 | |
| 200 | E | A | -0.4148 | |
| 201 | A | A | 0.0000 | |
| 202 | T | A | -1.0288 | |
| 203 | H | A | 0.0000 | |
| 204 | K | A | -2.7604 | |
| 205 | T | A | -1.4839 | |
| 206 | S | A | -0.7871 | |
| 207 | T | A | -0.6261 | |
| 208 | S | A | -0.3141 | |
| 209 | P | A | -0.3104 | |
| 210 | I | A | 0.7336 | |
| 211 | V | A | 0.8985 | |
| 212 | K | A | -0.2930 | |
| 213 | S | A | -0.4104 | |
| 214 | F | A | 0.0000 | |
| 215 | N | A | -1.7628 | |
| 216 | R | A | -2.1685 | |
| 217 | N | A | -2.5986 | |
| 218 | E | A | -2.4157 | |
| 219 | C | A | -1.1247 | |
| 1 | Q | B | -0.6648 | |
| 2 | V | B | 0.4415 | |
| 3 | Q | B | -0.7077 | |
| 4 | L | B | 0.0000 | |
| 5 | Q | B | -1.9500 | |
| 6 | Q | B | -1.5243 | |
| 7 | S | B | -1.2195 | |
| 8 | G | B | -0.9526 | |
| 9 | A | B | -0.5782 | |
| 10 | E | B | -0.9273 | |
| 11 | L | B | -0.6438 | |
| 12 | A | B | 0.0000 | |
| 13 | K | B | -2.0708 | |
| 14 | P | B | -1.2601 | |
| 15 | G | B | -1.1402 | |
| 16 | A | B | -0.9347 | |
| 17 | S | B | -1.1872 | |
| 18 | V | B | 0.0000 | |
| 19 | K | B | -2.1233 | |
| 20 | M | B | 0.0000 | |
| 21 | S | B | -0.8460 | |
| 22 | C | B | 0.0000 | |
| 23 | K | B | -1.6939 | |
| 24 | A | B | -0.9961 | |
| 25 | S | B | -0.4917 | |
| 26 | G | B | -0.2542 | |
| 27 | Y | B | -0.0776 | |
| 28 | T | B | -0.7287 | |
| 29 | F | B | 0.0000 | |
| 30 | T | B | -1.3556 | |
| 31 | R | B | -1.5142 | |
| 32 | Y | B | -0.3766 | |
| 33 | W | B | -0.0190 | |
| 34 | M | B | 0.0000 | |
| 35 | H | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | K | B | -0.6378 | |
| 39 | Q | B | -0.9423 | |
| 40 | R | B | -1.5613 | |
| 41 | P | B | -1.1456 | |
| 42 | G | B | -1.4361 | |
| 43 | Q | B | -2.1611 | |
| 44 | G | B | -1.3507 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -0.9749 | |
| 47 | W | B | 0.0000 | |
| 48 | I | B | 0.0000 | |
| 49 | G | B | 0.0000 | |
| 50 | Y | B | 0.0000 | |
| 51 | I | B | 0.0000 | |
| 52 | R | B | -0.4915 | |
| 53 | P | B | 0.0000 | |
| 54 | S | B | -0.9436 | |
| 55 | T | B | -0.0691 | |
| 56 | G | B | 0.0170 | |
| 57 | Y | B | 0.6311 | |
| 58 | T | B | -0.3106 | |
| 59 | E | B | -1.6830 | |
| 60 | Y | B | -2.0167 | |
| 61 | N | B | -1.9573 | |
| 62 | Q | B | -3.1826 | |
| 63 | K | B | -3.1361 | |
| 64 | F | B | 0.0000 | |
| 65 | K | B | -3.8122 | |
| 66 | D | B | -3.2111 | |
| 67 | K | B | -2.1964 | |
| 68 | A | B | 0.0000 | |
| 69 | T | B | -1.3021 | |
| 70 | L | B | 0.0000 | |
| 71 | T | B | -0.1193 | |
| 72 | A | B | -0.6722 | |
| 73 | D | B | -1.6313 | |
| 74 | K | B | -2.2938 | |
| 75 | S | B | -1.3290 | |
| 76 | S | B | -1.1780 | |
| 77 | S | B | -1.3949 | |
| 78 | T | B | 0.0000 | |
| 79 | V | B | 0.0000 | |
| 80 | Y | B | -0.3608 | |
| 81 | M | B | 0.0000 | |
| 82 | Q | B | -1.4535 | |
| 83 | L | B | 0.0000 | |
| 84 | S | B | -1.1669 | |
| 85 | S | B | -1.0506 | |
| 86 | L | B | 0.0000 | |
| 87 | T | B | -1.1558 | |
| 88 | S | B | -1.3458 | |
| 89 | E | B | -2.1264 | |
| 90 | D | B | 0.0000 | |
| 91 | S | B | -0.6678 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | -0.1003 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | C | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | R | B | 0.0000 | |
| 99 | T | B | 0.0000 | |
| 100 | T | B | 0.6399 | |
| 101 | V | B | 0.9504 | |
| 102 | D | B | -0.4192 | |
| 103 | G | B | 0.1734 | |
| 104 | Y | B | 0.5073 | |
| 105 | D | B | 0.0000 | |
| 106 | F | B | 0.0000 | |
| 107 | A | B | 0.3186 | |
| 108 | Y | B | 0.2081 | |
| 109 | W | B | 0.0000 | |
| 110 | G | B | 0.0000 | |
| 111 | Q | B | -1.8172 | |
| 112 | G | B | -0.9806 | |
| 113 | T | B | 0.0000 | |
| 114 | L | B | -0.1878 | |
| 115 | V | B | 0.0000 | |
| 116 | T | B | -0.5363 | |
| 117 | V | B | -0.8067 | |
| 118 | S | B | -1.0290 | |
| 119 | A | B | -1.0158 | |
| 120 | A | B | -1.2737 | |
| 121 | K | B | -1.8527 | |
| 122 | T | B | -0.8564 | |
| 123 | T | B | -0.3986 | |
| 124 | A | B | -0.3733 | |
| 125 | P | B | 0.0000 | |
| 126 | S | B | -0.3542 | |
| 127 | V | B | 0.0000 | |
| 128 | Y | B | -0.6751 | |
| 129 | P | B | 0.0000 | |
| 130 | L | B | 0.0000 | |
| 131 | A | B | 0.0000 | |
| 132 | P | B | -0.1445 | |
| 133 | G | B | -0.7116 | |
| 134 | S | B | -0.8308 | |
| 135 | A | B | -0.6866 | |
| 136 | A | B | -0.8178 | |
| 137 | Q | B | -1.5051 | |
| 138 | T | B | -1.1913 | |
| 139 | N | B | -1.4509 | |
| 140 | S | B | -0.3940 | |
| 141 | M | B | 0.5339 | |
| 142 | V | B | 0.0000 | |
| 143 | T | B | 0.0000 | |
| 144 | L | B | 0.0000 | |
| 145 | G | B | 0.0000 | |
| 146 | C | B | 0.0000 | |
| 147 | L | B | 0.0000 | |
| 148 | V | B | 0.0000 | |
| 149 | K | B | -0.3376 | |
| 150 | G | B | -0.4415 | |
| 151 | Y | B | 0.0000 | |
| 152 | F | B | 0.0000 | |
| 153 | P | B | 0.0000 | |
| 154 | E | B | -0.6586 | |
| 155 | P | B | -0.3913 | |
| 156 | V | B | -0.1134 | |
| 157 | T | B | -0.0429 | |
| 158 | V | B | 0.1062 | |
| 159 | T | B | -0.0918 | |
| 160 | W | B | 0.0000 | |
| 161 | N | B | -0.9866 | |
| 162 | S | B | -0.7713 | |
| 163 | G | B | -0.7227 | |
| 164 | S | B | -0.5822 | |
| 165 | L | B | -0.2202 | |
| 166 | S | B | -0.3130 | |
| 167 | S | B | -0.2491 | |
| 168 | G | B | -0.0299 | |
| 169 | V | B | 0.1591 | |
| 170 | H | B | -0.3376 | |
| 171 | T | B | 0.0648 | |
| 172 | F | B | 0.0000 | |
| 173 | P | B | -0.0437 | |
| 174 | A | B | 0.1258 | |
| 175 | V | B | 0.1543 | |
| 176 | L | B | -0.0469 | |
| 177 | Q | B | -0.9159 | |
| 178 | S | B | -1.1063 | |
| 179 | D | B | -1.6487 | |
| 180 | L | B | -0.7584 | |
| 181 | Y | B | -0.1682 | |
| 182 | T | B | -0.1982 | |
| 183 | L | B | 0.2867 | |
| 184 | S | B | 0.0000 | |
| 185 | S | B | 0.0000 | |
| 186 | S | B | 0.0000 | |
| 187 | V | B | 0.0000 | |
| 188 | T | B | 0.1899 | |
| 189 | V | B | 0.0000 | |
| 190 | P | B | -0.1517 | |
| 191 | S | B | -0.5969 | |
| 192 | S | B | -0.6916 | |
| 193 | T | B | -0.8291 | |
| 194 | W | B | 0.0000 | |
| 195 | P | B | -0.5421 | |
| 196 | S | B | -1.2325 | |
| 197 | E | B | -2.0206 | |
| 198 | T | B | -1.0161 | |
| 199 | V | B | 0.0000 | |
| 200 | T | B | -0.9370 | |
| 201 | C | B | 0.0000 | |
| 202 | N | B | 0.0000 | |
| 203 | V | B | 0.0000 | |
| 204 | A | B | -0.8072 | |
| 205 | H | B | 0.0000 | |
| 206 | P | B | -0.7402 | |
| 207 | A | B | -0.4330 | |
| 208 | S | B | -0.4249 | |
| 209 | S | B | -0.7121 | |
| 210 | T | B | -0.9277 | |
| 211 | K | B | -1.9284 | |
| 212 | V | B | -1.3092 | |
| 213 | D | B | -2.1269 | |
| 214 | K | B | -1.5726 | |
| 215 | K | B | -1.2224 | |
| 216 | I | B | 0.0000 | |
| 217 | V | B | 0.8217 | |
| 218 | P | B | -0.3455 | |
| 219 | R | B | -1.4580 |
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