| Chain sequence(s) |
A: QIQLVQSGPELKKPGETVKISCKASGYTFTTYGMTWVKQAQGKGLKWMGWINTYSGMPTYGDDFKGRFAFSLETSASTAYLQINNLKSEDTATYFCARRPVYFYGSFDYWGQGTTLTVTSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTH
B: DVLMTQTPLSLPVGLGDQASISCRSSQSIVHSNGATFLEWYLQKPGQSPELLIYKVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDLGVYYCFQGSHVPYTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:07:00)
[INFO] Main: Simulation completed successfully. (00:07:04)
|
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 | -1.4082 | |
| 2 | I | A | -0.7690 | |
| 3 | Q | A | -1.0033 | |
| 4 | L | A | 0.0000 | |
| 5 | V | A | 0.3711 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -0.4631 | |
| 8 | G | A | -0.7088 | |
| 9 | P | A | -0.7361 | |
| 10 | E | A | -0.9602 | |
| 11 | L | A | -0.6994 | |
| 12 | K | A | -1.5716 | |
| 13 | K | A | -2.5482 | |
| 14 | P | A | -2.4665 | |
| 15 | G | A | -2.2645 | |
| 16 | E | A | -2.1113 | |
| 17 | T | A | -1.8065 | |
| 18 | V | A | 0.0000 | |
| 19 | K | A | -1.8159 | |
| 20 | I | A | 0.0000 | |
| 21 | S | A | -0.5315 | |
| 22 | C | A | 0.0000 | |
| 23 | K | A | -0.7454 | |
| 24 | A | A | 0.0000 | |
| 25 | S | A | -0.7487 | |
| 26 | G | A | -0.9313 | |
| 27 | Y | A | -0.2884 | |
| 28 | T | A | -0.0288 | |
| 29 | F | A | 0.0000 | |
| 30 | T | A | 0.4356 | |
| 31 | T | A | 0.5563 | |
| 32 | Y | A | 0.8443 | |
| 33 | G | A | 0.0000 | |
| 34 | M | A | 0.0000 | |
| 35 | T | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | K | A | -1.1001 | |
| 39 | Q | A | -1.4764 | |
| 40 | A | A | -1.8777 | |
| 41 | Q | A | -2.0510 | |
| 42 | G | A | -1.9154 | |
| 43 | K | A | -2.6807 | |
| 44 | G | A | -1.7494 | |
| 45 | L | A | 0.0000 | |
| 46 | K | A | -1.9022 | |
| 47 | W | A | 0.0000 | |
| 48 | M | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | W | A | 0.2566 | |
| 51 | I | A | 0.0000 | |
| 52 | N | A | 0.5960 | |
| 53 | T | A | 0.0000 | |
| 54 | Y | A | 1.4070 | |
| 55 | S | A | 0.4614 | |
| 56 | G | A | 0.2115 | |
| 57 | M | A | 0.6025 | |
| 58 | P | A | 0.2186 | |
| 59 | T | A | 0.0875 | |
| 60 | Y | A | -0.7158 | |
| 61 | G | A | 0.0000 | |
| 62 | D | A | -3.1393 | |
| 63 | D | A | -3.3238 | |
| 64 | F | A | 0.0000 | |
| 65 | K | A | -2.9567 | |
| 66 | G | A | -1.9175 | |
| 67 | R | A | -1.7024 | |
| 68 | F | A | 0.0000 | |
| 69 | A | A | -0.7262 | |
| 70 | F | A | 0.0000 | |
| 71 | S | A | -0.3113 | |
| 72 | L | A | -0.2212 | |
| 73 | E | A | -1.0864 | |
| 74 | T | A | -0.5342 | |
| 75 | S | A | -0.5196 | |
| 76 | A | A | -0.5959 | |
| 77 | S | A | -0.6306 | |
| 78 | T | A | 0.0000 | |
| 79 | A | A | 0.0000 | |
| 80 | Y | A | -0.5103 | |
| 81 | L | A | 0.0000 | |
| 82 | Q | A | -1.0641 | |
| 83 | I | A | 0.0000 | |
| 84 | N | A | -1.8506 | |
| 85 | N | A | -2.4341 | |
| 86 | L | A | 0.0000 | |
| 87 | K | A | -2.7354 | |
| 88 | S | A | -2.0256 | |
| 89 | E | A | -2.3156 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -1.1775 | |
| 92 | A | A | 0.0000 | |
| 93 | T | A | -0.5264 | |
| 94 | Y | A | 0.0000 | |
| 95 | F | A | 0.0000 | |
| 96 | C | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | R | A | 0.0000 | |
| 99 | R | A | 0.0000 | |
| 100 | P | A | 1.0868 | |
| 101 | V | A | 0.0000 | |
| 102 | Y | A | 2.5537 | |
| 103 | F | A | 2.9161 | |
| 104 | Y | A | 1.7509 | |
| 105 | G | A | 0.8576 | |
| 106 | S | A | 0.2666 | |
| 107 | F | A | 0.0000 | |
| 108 | D | A | -0.3931 | |
| 109 | Y | A | -0.3270 | |
| 110 | W | A | -0.4867 | |
| 111 | G | A | 0.0000 | |
| 112 | Q | A | -1.3058 | |
| 113 | G | A | -0.7152 | |
| 114 | T | A | 0.0000 | |
| 115 | T | A | -0.5488 | |
| 116 | L | A | 0.0000 | |
| 117 | T | A | -0.8555 | |
| 118 | V | A | 0.0000 | |
| 119 | T | A | -1.2743 | |
| 120 | S | A | -0.9560 | |
| 121 | A | A | -0.5666 | |
| 122 | S | A | -0.6694 | |
| 123 | T | A | -0.7246 | |
| 124 | K | A | -1.1419 | |
| 125 | G | A | -1.3070 | |
| 126 | P | A | 0.0000 | |
| 127 | S | A | -0.4489 | |
| 128 | V | A | 0.0000 | |
| 129 | F | A | 0.0000 | |
| 130 | P | A | -1.2557 | |
| 131 | L | A | 0.0000 | |
| 132 | A | A | -1.2401 | |
| 133 | P | A | 0.0000 | |
| 134 | S | A | -0.9578 | |
| 135 | S | A | -0.6654 | |
| 136 | K | A | -1.1655 | |
| 137 | S | A | 0.0000 | |
| 138 | T | A | -0.7313 | |
| 139 | S | A | -0.7099 | |
| 140 | G | A | -0.7924 | |
| 141 | G | A | -0.8625 | |
| 142 | T | A | -0.6019 | |
| 143 | A | A | 0.0000 | |
| 144 | A | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | G | A | 0.0000 | |
| 147 | C | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | K | A | 0.0000 | |
| 151 | D | A | -0.3723 | |
| 152 | Y | A | 0.0000 | |
| 153 | F | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | E | A | -0.3211 | |
| 156 | P | A | -0.5921 | |
| 157 | V | A | -0.6474 | |
| 158 | T | A | -0.6494 | |
| 159 | V | A | -0.2512 | |
| 160 | S | A | -0.4005 | |
| 161 | W | A | 0.0000 | |
| 162 | N | A | -0.6660 | |
| 163 | S | A | -0.6083 | |
| 164 | G | A | -0.4758 | |
| 165 | A | A | -0.2196 | |
| 166 | L | A | 0.0327 | |
| 167 | T | A | -0.1650 | |
| 168 | S | A | -0.1833 | |
| 169 | G | A | -0.2259 | |
| 170 | V | A | 0.1628 | |
| 171 | H | A | -0.3109 | |
| 172 | T | A | 0.0302 | |
| 173 | F | A | 0.0000 | |
| 174 | P | A | -0.2610 | |
| 175 | A | A | 0.2943 | |
| 176 | V | A | 0.5406 | |
| 177 | L | A | 1.1541 | |
| 178 | Q | A | 0.2689 | |
| 179 | S | A | -0.0798 | |
| 180 | S | A | -0.2280 | |
| 181 | G | A | -0.0001 | |
| 182 | L | A | 0.1558 | |
| 183 | Y | A | 0.4722 | |
| 184 | S | A | 0.0000 | |
| 185 | L | A | 0.0000 | |
| 186 | S | A | 0.0000 | |
| 187 | S | A | 0.0000 | |
| 188 | V | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | T | A | -0.1354 | |
| 191 | V | A | 0.0000 | |
| 192 | P | A | -0.6113 | |
| 193 | S | A | -0.5729 | |
| 194 | S | A | -0.5830 | |
| 195 | S | A | -0.5674 | |
| 196 | L | A | -0.7183 | |
| 197 | G | A | -0.8952 | |
| 198 | T | A | -0.6787 | |
| 199 | Q | A | -1.0925 | |
| 200 | T | A | -0.9724 | |
| 201 | Y | A | 0.0000 | |
| 202 | I | A | -1.0109 | |
| 203 | C | A | 0.0000 | |
| 204 | N | A | -1.4284 | |
| 205 | V | A | 0.0000 | |
| 206 | N | A | -2.2015 | |
| 207 | H | A | 0.0000 | |
| 208 | K | A | -2.6532 | |
| 209 | P | A | -1.5369 | |
| 210 | S | A | -1.7431 | |
| 211 | N | A | -2.5465 | |
| 212 | T | A | -2.0931 | |
| 213 | K | A | -2.7560 | |
| 214 | V | A | -1.5132 | |
| 215 | D | A | -2.2201 | |
| 216 | K | A | -1.8421 | |
| 217 | K | A | -2.1922 | |
| 218 | V | A | 0.0000 | |
| 219 | E | A | -2.4069 | |
| 220 | P | A | -1.6684 | |
| 221 | K | A | -2.3650 | |
| 222 | S | A | -1.6366 | |
| 223 | C | A | -1.3413 | |
| 224 | D | A | -2.6650 | |
| 225 | K | A | -2.6851 | |
| 226 | T | A | -1.8438 | |
| 227 | H | A | -1.8579 | |
| 1 | D | B | -1.4631 | |
| 2 | V | B | 0.0000 | |
| 3 | L | B | 0.5366 | |
| 4 | M | B | 0.0000 | |
| 5 | T | B | -0.4671 | |
| 6 | Q | B | 0.0000 | |
| 7 | T | B | -0.1310 | |
| 8 | P | B | 0.3916 | |
| 9 | L | B | 1.1115 | |
| 10 | S | B | 0.1499 | |
| 11 | L | B | -0.1482 | |
| 12 | P | B | -0.8715 | |
| 13 | V | B | 0.0000 | |
| 14 | G | B | -1.3395 | |
| 15 | L | B | -0.5273 | |
| 16 | G | B | -1.7788 | |
| 17 | D | B | -2.7800 | |
| 18 | Q | B | -2.7265 | |
| 19 | A | B | 0.0000 | |
| 20 | S | B | -0.8913 | |
| 21 | I | B | 0.0000 | |
| 22 | S | B | -1.0027 | |
| 23 | C | B | 0.0000 | |
| 24 | R | B | -2.4751 | |
| 25 | S | B | 0.0000 | |
| 26 | S | B | -0.9051 | |
| 27 | Q | B | -1.2395 | |
| 28 | S | B | -0.8308 | |
| 29 | I | B | 0.0000 | |
| 30 | V | B | 0.1458 | |
| 31 | H | B | -0.4021 | |
| 32 | S | B | -0.8776 | |
| 33 | N | B | -1.5009 | |
| 34 | G | B | -0.9412 | |
| 35 | A | B | -0.5462 | |
| 36 | T | B | -0.2983 | |
| 37 | F | B | 0.0000 | |
| 38 | L | B | 0.0000 | |
| 39 | E | B | 0.0000 | |
| 40 | W | B | 0.0000 | |
| 41 | Y | B | 0.0000 | |
| 42 | L | B | 0.0000 | |
| 43 | Q | B | -1.2183 | |
| 44 | K | B | -1.7479 | |
| 45 | P | B | -1.3174 | |
| 46 | G | B | -1.5671 | |
| 47 | Q | B | -2.1048 | |
| 48 | S | B | -1.5777 | |
| 49 | P | B | 0.0000 | |
| 50 | E | B | -1.9811 | |
| 51 | L | B | 0.0000 | |
| 52 | L | B | 0.0000 | |
| 53 | I | B | 0.0000 | |
| 54 | Y | B | -0.4299 | |
| 55 | K | B | -1.0830 | |
| 56 | V | B | -0.7415 | |
| 57 | S | B | -0.9058 | |
| 58 | N | B | -1.2084 | |
| 59 | R | B | -1.5681 | |
| 60 | F | B | -0.4863 | |
| 61 | S | B | -0.5082 | |
| 62 | G | B | -0.7581 | |
| 63 | V | B | -0.9861 | |
| 64 | P | B | -1.2184 | |
| 65 | D | B | -2.3942 | |
| 66 | R | B | -2.2495 | |
| 67 | F | B | 0.0000 | |
| 68 | S | B | -1.2429 | |
| 69 | G | B | 0.0000 | |
| 70 | S | B | -0.9402 | |
| 71 | G | B | -1.3181 | |
| 72 | S | B | -1.0487 | |
| 73 | G | B | -0.9657 | |
| 74 | T | B | -1.7837 | |
| 75 | D | B | -2.8403 | |
| 76 | F | B | 0.0000 | |
| 77 | T | B | -1.1302 | |
| 78 | L | B | 0.0000 | |
| 79 | K | B | -1.5851 | |
| 80 | I | B | 0.0000 | |
| 81 | S | B | -2.6917 | |
| 82 | R | B | -3.3653 | |
| 83 | V | B | 0.0000 | |
| 84 | E | B | -2.4651 | |
| 85 | A | B | 0.0000 | |
| 86 | E | B | -2.8584 | |
| 87 | D | B | 0.0000 | |
| 88 | L | B | 0.0000 | |
| 89 | G | B | 0.0000 | |
| 90 | V | B | -0.2058 | |
| 91 | Y | B | 0.0000 | |
| 92 | Y | B | 0.0000 | |
| 93 | C | B | 0.0000 | |
| 94 | F | B | 0.0000 | |
| 95 | Q | B | 0.0000 | |
| 96 | G | B | 0.0000 | |
| 97 | S | B | 0.0000 | |
| 98 | H | B | 0.2441 | |
| 99 | V | B | 1.0895 | |
| 100 | P | B | -0.0580 | |
| 101 | Y | B | 0.0000 | |
| 102 | T | B | -0.1141 | |
| 103 | F | B | 0.0000 | |
| 104 | G | B | 0.0000 | |
| 105 | G | B | -0.5740 | |
| 106 | G | B | 0.0000 | |
| 107 | T | B | 0.0000 | |
| 108 | K | B | -0.7412 | |
| 109 | L | B | 0.0000 | |
| 110 | E | B | -1.3000 | |
| 111 | I | B | 0.0000 | |
| 112 | K | B | -1.5857 | |
| 113 | R | B | -0.9553 | |
| 114 | T | B | -0.1768 | |
| 115 | V | B | 0.2936 | |
| 116 | A | B | -0.0629 | |
| 117 | A | B | -0.1059 | |
| 118 | P | B | 0.0000 | |
| 119 | S | B | -0.2173 | |
| 120 | V | B | 0.0000 | |
| 121 | F | B | 0.0000 | |
| 122 | I | B | 0.0000 | |
| 123 | F | B | 0.0000 | |
| 124 | P | B | -0.5678 | |
| 125 | P | B | 0.0000 | |
| 126 | S | B | -1.9413 | |
| 127 | D | B | -3.2716 | |
| 128 | E | B | -3.2889 | |
| 129 | Q | B | 0.0000 | |
| 130 | L | B | -2.3685 | |
| 131 | K | B | -2.9662 | |
| 132 | S | B | -1.8475 | |
| 133 | G | B | -1.3139 | |
| 134 | T | B | -1.0422 | |
| 135 | A | B | 0.0000 | |
| 136 | S | B | 0.0000 | |
| 137 | V | B | 0.0000 | |
| 138 | V | B | 0.0000 | |
| 139 | C | B | 0.0000 | |
| 140 | L | B | 0.0000 | |
| 141 | L | B | 0.0000 | |
| 142 | N | B | 0.0000 | |
| 143 | N | B | -0.8951 | |
| 144 | F | B | 0.0000 | |
| 145 | Y | B | 0.0000 | |
| 146 | P | B | -1.8147 | |
| 147 | R | B | -3.1292 | |
| 148 | E | B | -3.2806 | |
| 149 | A | B | -2.3736 | |
| 150 | K | B | -2.4748 | |
| 151 | V | B | -1.0839 | |
| 152 | Q | B | -0.6437 | |
| 153 | W | B | 0.0000 | |
| 154 | K | B | -0.5783 | |
| 155 | V | B | 0.0000 | |
| 156 | D | B | -1.9149 | |
| 157 | N | B | -1.5295 | |
| 158 | A | B | -0.2642 | |
| 159 | L | B | 0.6853 | |
| 160 | Q | B | -0.2970 | |
| 161 | S | B | -0.6323 | |
| 162 | G | B | -1.2311 | |
| 163 | N | B | -1.5044 | |
| 164 | S | B | -1.3382 | |
| 165 | Q | B | -1.2561 | |
| 166 | E | B | -1.3752 | |
| 167 | S | B | -0.7603 | |
| 168 | V | B | -0.7659 | |
| 169 | T | B | 0.0000 | |
| 170 | E | B | -2.2832 | |
| 171 | Q | B | 0.0000 | |
| 172 | D | B | -1.9823 | |
| 173 | S | B | -2.3737 | |
| 174 | K | B | -2.6973 | |
| 175 | D | B | -1.7724 | |
| 176 | S | B | 0.0000 | |
| 177 | T | B | 0.0000 | |
| 178 | Y | B | 0.0000 | |
| 179 | S | B | 0.0000 | |
| 180 | L | B | 0.0000 | |
| 181 | S | B | 0.0000 | |
| 182 | S | B | 0.0000 | |
| 183 | T | B | -0.6221 | |
| 184 | L | B | 0.0000 | |
| 185 | T | B | -0.5996 | |
| 186 | L | B | -0.7005 | |
| 187 | S | B | -0.9114 | |
| 188 | K | B | -1.8803 | |
| 189 | A | B | -1.6199 | |
| 190 | D | B | -2.1659 | |
| 191 | Y | B | 0.0000 | |
| 192 | E | B | -2.9820 | |
| 193 | K | B | -3.3286 | |
| 194 | H | B | -2.8043 | |
| 195 | K | B | -3.1484 | |
| 196 | V | B | -1.4104 | |
| 197 | Y | B | 0.0000 | |
| 198 | A | B | 0.0000 | |
| 199 | C | B | 0.0000 | |
| 200 | E | B | -0.6186 | |
| 201 | V | B | 0.0000 | |
| 202 | T | B | -1.2227 | |
| 203 | H | B | 0.0000 | |
| 204 | Q | B | -1.7635 | |
| 205 | G | B | -0.4104 | |
| 206 | L | B | -0.2271 | |
| 207 | S | B | -0.4530 | |
| 208 | S | B | -0.4163 | |
| 209 | P | B | -0.5639 | |
| 210 | V | B | 0.1312 | |
| 211 | T | B | -0.2968 | |
| 212 | K | B | -0.6126 | |
| 213 | S | B | -0.5914 | |
| 214 | F | B | 0.0000 | |
| 215 | N | B | -1.7259 | |
| 216 | R | B | -2.2769 | |
| 217 | G | B | -1.7953 | |
| 218 | E | B | -2.0324 | |
| 219 | C | B | -1.0926 |
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