| Chain sequence(s) |
A: DIVMTQTPLSLSVTPGQPASISCRSSQSLVHSNGNTYLEWYLQKPGQPPQLLIYKVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCFQGSQVPFTFGSGTKLEIKGGGGSGGGGSGGGGSVQLVQSGAEVKKPGASVKVSCKASGYTFTDYIMLWVRQAPGQGLEWMGNIDPYYGSTGYALKFKGRVTMTRDTSTSTVYMELSSLRSEDTAVYYCARDGNYGSDYWGQGTTVTVSS
B: AQEVQQSPHCTTVPVGASVNITCSTSGGLRGIYLRQLGPQPQDIIYYEDGVVPTTDRRFRGRIDFSGSQDNLTITMHRLQLSDTGTYTCQAITEVNVYGSGTLVLVTEEQSQGWHRCSDAPPRASALPAPPTGSALPDPQTASALPDPPAASALP 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] (00:00:01)
[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 (00:04:30)
[INFO] Main: Simulation completed successfully. (00:04:33)
|
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 | -1.4180 | |
| 2 | I | A | 0.0000 | |
| 3 | V | A | 0.7237 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -0.2778 | |
| 6 | Q | A | 0.0000 | |
| 7 | T | A | 0.0093 | |
| 8 | P | A | 0.4759 | |
| 9 | L | A | 1.2584 | |
| 10 | S | A | 0.1606 | |
| 11 | L | A | -0.2278 | |
| 12 | S | A | -1.0954 | |
| 13 | V | A | 0.0000 | |
| 14 | T | A | -1.5450 | |
| 15 | P | A | -1.6965 | |
| 16 | G | A | -1.5982 | |
| 17 | Q | A | -1.7679 | |
| 18 | P | A | -1.9104 | |
| 19 | A | A | 0.0000 | |
| 20 | S | A | -0.8686 | |
| 21 | I | A | 0.0000 | |
| 22 | S | A | -0.9129 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -2.2928 | |
| 25 | S | A | 0.0000 | |
| 26 | S | A | -1.0023 | |
| 27 | Q | A | -1.5974 | |
| 28 | S | A | -0.9231 | |
| 29 | L | A | 0.0000 | |
| 30 | V | A | 0.5090 | |
| 31 | H | A | -0.3641 | |
| 32 | S | A | -0.6491 | |
| 33 | N | A | -1.3655 | |
| 34 | G | A | -0.8898 | |
| 35 | N | A | -0.5799 | |
| 36 | T | A | -0.0173 | |
| 37 | Y | A | 0.0000 | |
| 38 | L | A | 0.0000 | |
| 39 | E | A | 0.0000 | |
| 40 | W | A | 0.0000 | |
| 41 | Y | A | 0.0000 | |
| 42 | L | A | 0.0000 | |
| 43 | Q | A | -0.7548 | |
| 44 | K | A | -1.4827 | |
| 45 | P | A | -1.0818 | |
| 46 | G | A | -1.3780 | |
| 47 | Q | A | -1.7804 | |
| 48 | P | A | -1.0902 | |
| 49 | P | A | 0.0000 | |
| 50 | Q | A | -0.8035 | |
| 51 | L | A | 0.0000 | |
| 52 | L | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | Y | A | -0.1882 | |
| 55 | K | A | -0.4943 | |
| 56 | V | A | -0.5333 | |
| 57 | S | A | -0.8458 | |
| 58 | N | A | -1.1177 | |
| 59 | R | A | -1.6486 | |
| 60 | F | A | -0.5249 | |
| 61 | S | A | -0.5442 | |
| 62 | G | A | -1.0295 | |
| 63 | V | A | -0.9332 | |
| 64 | P | A | -1.2910 | |
| 65 | D | A | -2.4306 | |
| 66 | R | A | -2.1707 | |
| 67 | F | A | 0.0000 | |
| 68 | S | A | -1.5680 | |
| 69 | G | A | 0.0000 | |
| 70 | S | A | -0.9563 | |
| 71 | G | A | -1.0444 | |
| 72 | S | A | -0.7173 | |
| 73 | G | A | -0.6368 | |
| 74 | T | A | -1.4539 | |
| 75 | D | A | -2.1060 | |
| 76 | F | A | 0.0000 | |
| 77 | T | A | -1.1519 | |
| 78 | L | A | 0.0000 | |
| 79 | K | A | -2.1261 | |
| 80 | I | A | 0.0000 | |
| 81 | S | A | -2.2766 | |
| 82 | R | A | -3.0789 | |
| 83 | V | A | 0.0000 | |
| 84 | E | A | -2.2240 | |
| 85 | A | A | -1.7274 | |
| 86 | E | A | -2.4029 | |
| 87 | D | A | 0.0000 | |
| 88 | V | A | -0.9859 | |
| 89 | G | A | 0.0000 | |
| 90 | V | A | -0.0144 | |
| 91 | Y | A | 0.0000 | |
| 92 | Y | A | 0.0000 | |
| 93 | C | A | 0.0000 | |
| 94 | F | A | 0.0000 | |
| 95 | Q | A | 0.0000 | |
| 96 | G | A | 0.0000 | |
| 97 | S | A | 0.0000 | |
| 98 | Q | A | -1.3445 | |
| 99 | V | A | -0.6034 | |
| 100 | P | A | -0.5654 | |
| 101 | F | A | 0.0000 | |
| 102 | T | A | -0.0368 | |
| 103 | F | A | 0.3063 | |
| 104 | G | A | 0.0000 | |
| 105 | S | A | -0.0043 | |
| 106 | G | A | 0.0000 | |
| 107 | T | A | 0.0000 | |
| 108 | K | A | -0.4201 | |
| 109 | L | A | 0.0000 | |
| 110 | E | A | -1.6396 | |
| 111 | I | A | -1.8483 | |
| 112 | K | A | -2.3523 | |
| 113 | G | A | -1.8092 | |
| 114 | G | A | -1.7010 | |
| 115 | G | A | -1.3415 | |
| 116 | G | A | -1.4608 | |
| 117 | S | A | -1.2679 | |
| 118 | G | A | -1.5958 | |
| 119 | G | A | -1.6455 | |
| 120 | G | A | -1.7316 | |
| 121 | G | A | -1.6699 | |
| 122 | S | A | -1.0828 | |
| 123 | G | A | -1.3601 | |
| 124 | G | A | -1.2569 | |
| 125 | G | A | -1.3119 | |
| 126 | G | A | -1.1560 | |
| 127 | S | A | -0.9527 | |
| 128 | V | A | -0.7567 | |
| 129 | Q | A | -1.4236 | |
| 130 | L | A | 0.0000 | |
| 131 | V | A | -0.0578 | |
| 132 | Q | A | 0.0000 | |
| 133 | S | A | -0.7303 | |
| 134 | G | A | -0.7341 | |
| 135 | A | A | -0.2363 | |
| 136 | E | A | -0.5135 | |
| 137 | V | A | 0.7234 | |
| 138 | K | A | -0.9814 | |
| 139 | K | A | -2.1441 | |
| 140 | P | A | -2.2506 | |
| 141 | G | A | -1.5939 | |
| 142 | A | A | -1.2350 | |
| 143 | S | A | -1.3785 | |
| 144 | V | A | 0.0000 | |
| 145 | K | A | -2.1391 | |
| 146 | V | A | 0.0000 | |
| 147 | S | A | -0.7362 | |
| 148 | C | A | 0.0000 | |
| 149 | K | A | -1.1925 | |
| 150 | A | A | 0.0000 | |
| 151 | S | A | -0.7758 | |
| 152 | G | A | -0.7872 | |
| 153 | Y | A | -0.2399 | |
| 154 | T | A | -0.1132 | |
| 155 | F | A | 0.0000 | |
| 156 | T | A | 0.0217 | |
| 157 | D | A | -0.0872 | |
| 158 | Y | A | 0.0616 | |
| 159 | I | A | 0.0000 | |
| 160 | M | A | 0.0000 | |
| 161 | L | A | 0.0000 | |
| 162 | W | A | 0.0000 | |
| 163 | V | A | 0.0000 | |
| 164 | R | A | -0.4105 | |
| 165 | Q | A | -0.6653 | |
| 166 | A | A | -1.0531 | |
| 167 | P | A | -1.0423 | |
| 168 | G | A | -1.2149 | |
| 169 | Q | A | -1.7059 | |
| 170 | G | A | -0.9903 | |
| 171 | L | A | 0.0000 | |
| 172 | E | A | -0.6350 | |
| 173 | W | A | 0.0000 | |
| 174 | M | A | 0.0000 | |
| 175 | G | A | 0.0000 | |
| 176 | N | A | 0.0000 | |
| 177 | I | A | 0.0000 | |
| 178 | D | A | 0.0000 | |
| 179 | P | A | 0.0000 | |
| 180 | Y | A | 0.2854 | |
| 181 | Y | A | 0.5157 | |
| 182 | G | A | -0.0742 | |
| 183 | S | A | -0.2218 | |
| 184 | T | A | 0.0000 | |
| 185 | G | A | 0.0000 | |
| 186 | Y | A | -0.4470 | |
| 187 | A | A | 0.0000 | |
| 188 | L | A | 0.0094 | |
| 189 | K | A | -1.4565 | |
| 190 | F | A | 0.0000 | |
| 191 | K | A | -1.6367 | |
| 192 | G | A | -1.3689 | |
| 193 | R | A | -1.3435 | |
| 194 | V | A | 0.0000 | |
| 195 | T | A | -0.8615 | |
| 196 | M | A | 0.0000 | |
| 197 | T | A | -0.5880 | |
| 198 | R | A | -1.0578 | |
| 199 | D | A | -1.2503 | |
| 200 | T | A | -0.6787 | |
| 201 | S | A | -0.5691 | |
| 202 | T | A | -0.7055 | |
| 203 | S | A | -0.8065 | |
| 204 | T | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | Y | A | -0.8554 | |
| 207 | M | A | 0.0000 | |
| 208 | E | A | -1.5548 | |
| 209 | L | A | 0.0000 | |
| 210 | S | A | -1.1808 | |
| 211 | S | A | -1.2606 | |
| 212 | L | A | 0.0000 | |
| 213 | R | A | -3.1260 | |
| 214 | S | A | -2.4041 | |
| 215 | E | A | -2.5894 | |
| 216 | D | A | 0.0000 | |
| 217 | T | A | -0.8645 | |
| 218 | A | A | 0.0000 | |
| 219 | V | A | 0.1808 | |
| 220 | Y | A | 0.0000 | |
| 221 | Y | A | 0.0000 | |
| 222 | C | A | 0.0000 | |
| 223 | A | A | 0.0000 | |
| 224 | R | A | 0.0000 | |
| 225 | D | A | 0.0000 | |
| 226 | G | A | 0.0000 | |
| 227 | N | A | -0.0089 | |
| 228 | Y | A | 0.2898 | |
| 229 | G | A | 0.0000 | |
| 230 | S | A | 0.0000 | |
| 231 | D | A | 0.0000 | |
| 232 | Y | A | -0.2711 | |
| 233 | W | A | -0.3017 | |
| 234 | G | A | 0.0000 | |
| 235 | Q | A | -1.3008 | |
| 236 | G | A | -0.6219 | |
| 237 | T | A | 0.0000 | |
| 238 | T | A | -0.0818 | |
| 239 | V | A | 0.0000 | |
| 240 | T | A | -0.4024 | |
| 241 | V | A | 0.0000 | |
| 242 | S | A | -1.0797 | |
| 243 | S | A | -1.0021 | |
| 1 | A | B | -1.6860 | |
| 2 | Q | B | -1.8806 | |
| 3 | E | B | -2.3646 | |
| 4 | V | B | 0.0000 | |
| 5 | Q | B | -1.7412 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.5176 | |
| 8 | P | B | 0.0000 | |
| 9 | H | B | 0.0000 | |
| 10 | C | B | 0.0000 | |
| 11 | T | B | 0.0000 | |
| 12 | T | B | 0.0000 | |
| 13 | V | B | 0.0000 | |
| 14 | P | B | -1.0261 | |
| 15 | V | B | -0.5978 | |
| 16 | G | B | -1.2769 | |
| 17 | A | B | 0.0000 | |
| 18 | S | B | -0.8255 | |
| 19 | V | B | 0.0000 | |
| 20 | N | B | -1.0116 | |
| 21 | I | B | 0.0000 | |
| 22 | T | B | -0.8856 | |
| 23 | C | B | 0.0000 | |
| 24 | S | B | -1.7446 | |
| 25 | T | B | -1.9047 | |
| 26 | S | B | -1.8520 | |
| 27 | G | B | -1.4548 | |
| 28 | G | B | -1.5777 | |
| 29 | L | B | -1.5940 | |
| 30 | R | B | -2.4161 | |
| 31 | G | B | 0.0000 | |
| 32 | I | B | 0.0000 | |
| 33 | Y | B | 0.1152 | |
| 34 | L | B | 0.0000 | |
| 35 | R | B | -0.6108 | |
| 36 | Q | B | -0.6899 | |
| 37 | L | B | -0.4594 | |
| 38 | G | B | -1.1158 | |
| 39 | P | B | -1.2188 | |
| 40 | Q | B | -1.5808 | |
| 41 | P | B | -1.1581 | |
| 42 | Q | B | -1.1061 | |
| 43 | D | B | -0.8995 | |
| 44 | I | B | 0.0000 | |
| 45 | I | B | 0.0000 | |
| 46 | Y | B | 0.4047 | |
| 47 | Y | B | 0.0909 | |
| 48 | E | B | -0.8318 | |
| 49 | D | B | -1.3821 | |
| 50 | G | B | -0.0915 | |
| 51 | V | B | 1.5399 | |
| 52 | V | B | 2.0735 | |
| 53 | P | B | 0.8070 | |
| 54 | T | B | 0.0467 | |
| 55 | T | B | -1.2769 | |
| 56 | D | B | 0.0000 | |
| 57 | R | B | -3.1131 | |
| 58 | R | B | -2.6404 | |
| 59 | F | B | 0.0000 | |
| 60 | R | B | -3.2451 | |
| 61 | G | B | -2.2993 | |
| 62 | R | B | -2.1951 | |
| 63 | I | B | -1.6094 | |
| 64 | D | B | -1.9781 | |
| 65 | F | B | -0.6977 | |
| 66 | S | B | -0.9224 | |
| 67 | G | B | -1.2309 | |
| 68 | S | B | -1.5421 | |
| 69 | Q | B | -1.9443 | |
| 70 | D | B | -2.5151 | |
| 71 | N | B | -2.2600 | |
| 72 | L | B | 0.0000 | |
| 73 | T | B | -1.0353 | |
| 74 | I | B | 0.0000 | |
| 75 | T | B | -0.9491 | |
| 76 | M | B | 0.0000 | |
| 77 | H | B | -1.7769 | |
| 78 | R | B | -2.2870 | |
| 79 | L | B | 0.0000 | |
| 80 | Q | B | -0.9734 | |
| 81 | L | B | 0.1735 | |
| 82 | S | B | -0.0851 | |
| 83 | D | B | 0.0000 | |
| 84 | T | B | -0.0770 | |
| 85 | G | B | -0.1798 | |
| 86 | T | B | 0.0000 | |
| 87 | Y | B | 0.0000 | |
| 88 | T | B | 0.0000 | |
| 89 | C | B | 0.0000 | |
| 90 | Q | B | 0.0000 | |
| 91 | A | B | 0.0000 | |
| 92 | I | B | -0.4442 | |
| 93 | T | B | -1.0670 | |
| 94 | E | B | -1.3235 | |
| 95 | V | B | 0.5813 | |
| 96 | N | B | 0.0575 | |
| 97 | V | B | -0.2822 | |
| 98 | Y | B | -0.0711 | |
| 99 | G | B | 0.0000 | |
| 100 | S | B | -0.9295 | |
| 101 | G | B | 0.0000 | |
| 102 | T | B | 0.0000 | |
| 103 | L | B | 0.0000 | |
| 104 | V | B | 0.0000 | |
| 105 | L | B | 0.0000 | |
| 106 | V | B | 0.0000 | |
| 107 | T | B | 0.0000 | |
| 108 | E | B | -2.8661 | |
| 109 | E | B | -3.3093 | |
| 110 | Q | B | -2.6333 | |
| 111 | S | B | 0.0000 | |
| 112 | Q | B | -2.4699 | |
| 113 | G | B | -1.6990 | |
| 114 | W | B | 0.0000 | |
| 115 | H | B | 0.0000 | |
| 116 | R | B | 0.0000 | |
| 117 | C | B | 0.0000 | |
| 118 | S | B | 0.0000 | |
| 119 | D | B | -0.3938 | |
| 120 | A | B | -0.4577 | |
| 121 | P | B | -0.6916 | |
| 122 | P | B | -1.2297 | |
| 123 | R | B | -1.9142 | |
| 124 | A | B | -0.5714 | |
| 125 | S | B | -0.2952 | |
| 126 | A | B | 0.5962 | |
| 127 | L | B | 1.2908 | |
| 128 | P | B | 0.3206 | |
| 129 | A | B | 0.2678 | |
| 130 | P | B | -0.2641 | |
| 131 | P | B | -0.6191 | |
| 132 | T | B | -0.5339 | |
| 133 | G | B | -0.4533 | |
| 134 | S | B | -0.0653 | |
| 135 | A | B | 0.1707 | |
| 136 | L | B | 0.7784 | |
| 137 | P | B | -0.6925 | |
| 138 | D | B | -1.9727 | |
| 139 | P | B | -1.5227 | |
| 140 | Q | B | -1.9531 | |
| 141 | T | B | -1.0592 | |
| 142 | A | B | -0.2166 | |
| 143 | S | B | 0.0218 | |
| 144 | A | B | 0.3448 | |
| 145 | L | B | 0.8875 | |
| 146 | P | B | -0.5022 | |
| 147 | D | B | -1.6787 | |
| 148 | P | B | -1.0438 | |
| 149 | P | B | -0.8925 | |
| 150 | A | B | -0.4574 | |
| 151 | A | B | 0.1169 | |
| 152 | S | B | 0.2227 | |
| 153 | A | B | 0.6651 | |
| 154 | L | B | 1.4024 | |
| 155 | P | B | 0.4763 |
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