| Chain sequence(s) |
A: DIVMTQTPLSLPVTPGEPASISCRSSQSLVHSNGNTYLEWYLQKPGQSPQLLIYKVSYRASGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCFQGSHVPFTFGSGTKLEIKGGGGSGGGGSGGGGSVQLVQSGAEVKKPGASVKVSCKASGYTFTDYIMLWVRQAPGQGLEWMGNIDPYYGSTGYALKFKGRVTMTRDTSTSTVYMELSSLRSEDTAVYYCARDGNYGSDYWGQGTTVTVSS
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 (00:00:02)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:33)
[INFO] Main: Simulation completed successfully. (00:04:37)
|
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 | -1.3209 | |
| 2 | I | A | 0.0000 | |
| 3 | V | A | 0.7340 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -0.2897 | |
| 6 | Q | A | 0.0000 | |
| 7 | T | A | 0.0172 | |
| 8 | P | A | 0.3483 | |
| 9 | L | A | 1.0729 | |
| 10 | S | A | -0.1021 | |
| 11 | L | A | -0.4275 | |
| 12 | P | A | -1.2801 | |
| 13 | V | A | 0.0000 | |
| 14 | T | A | -1.9954 | |
| 15 | P | A | -2.4270 | |
| 16 | G | A | -2.5249 | |
| 17 | E | A | -3.0414 | |
| 18 | P | A | -2.4973 | |
| 19 | A | A | 0.0000 | |
| 20 | S | A | -0.8870 | |
| 21 | I | A | 0.0000 | |
| 22 | S | A | -0.9376 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -2.3080 | |
| 25 | S | A | 0.0000 | |
| 26 | S | A | -1.0022 | |
| 27 | Q | A | -1.5558 | |
| 28 | S | A | -0.9074 | |
| 29 | L | A | 0.0000 | |
| 30 | V | A | 0.2342 | |
| 31 | H | A | -0.4360 | |
| 32 | S | A | -0.7595 | |
| 33 | N | A | -1.4364 | |
| 34 | G | A | -0.9641 | |
| 35 | N | A | -0.8125 | |
| 36 | T | A | -0.2233 | |
| 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 | 0.0000 | |
| 44 | K | A | -1.5288 | |
| 45 | P | A | -1.1305 | |
| 46 | G | A | -1.4562 | |
| 47 | Q | A | -1.9824 | |
| 48 | S | A | -1.1860 | |
| 49 | P | A | 0.0000 | |
| 50 | Q | A | -1.0601 | |
| 51 | L | A | 0.0000 | |
| 52 | L | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | Y | A | 0.0000 | |
| 55 | K | A | -0.5314 | |
| 56 | V | A | 0.0000 | |
| 57 | S | A | -0.5498 | |
| 58 | Y | A | -0.5303 | |
| 59 | R | A | -1.4863 | |
| 60 | A | A | -0.8335 | |
| 61 | S | A | -0.6949 | |
| 62 | G | A | -1.1171 | |
| 63 | V | A | 0.0000 | |
| 64 | P | A | -1.4013 | |
| 65 | D | A | -2.4532 | |
| 66 | R | A | -2.1963 | |
| 67 | F | A | 0.0000 | |
| 68 | S | A | -1.5182 | |
| 69 | G | A | -0.9705 | |
| 70 | S | A | -0.9413 | |
| 71 | G | A | -1.1369 | |
| 72 | S | A | -0.8288 | |
| 73 | G | A | -0.7754 | |
| 74 | T | A | -1.5264 | |
| 75 | D | A | -2.1776 | |
| 76 | F | A | 0.0000 | |
| 77 | T | A | -1.2396 | |
| 78 | L | A | 0.0000 | |
| 79 | K | A | -2.2119 | |
| 80 | I | A | 0.0000 | |
| 81 | S | A | -2.5046 | |
| 82 | R | A | -3.6211 | |
| 83 | V | A | 0.0000 | |
| 84 | E | A | -2.6879 | |
| 85 | A | A | -1.7614 | |
| 86 | E | A | -2.2434 | |
| 87 | D | A | 0.0000 | |
| 88 | V | A | -1.0983 | |
| 89 | G | A | 0.0000 | |
| 90 | V | A | -0.2373 | |
| 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 | H | A | -0.7612 | |
| 99 | V | A | -0.3022 | |
| 100 | P | A | -0.3987 | |
| 101 | F | A | 0.0000 | |
| 102 | T | A | 0.0433 | |
| 103 | F | A | 0.3046 | |
| 104 | G | A | 0.0000 | |
| 105 | S | A | -0.0700 | |
| 106 | G | A | 0.0000 | |
| 107 | T | A | 0.0000 | |
| 108 | K | A | -1.0611 | |
| 109 | L | A | 0.0000 | |
| 110 | E | A | -1.7846 | |
| 111 | I | A | -1.8382 | |
| 112 | K | A | -2.3970 | |
| 113 | G | A | -1.7848 | |
| 114 | G | A | -1.6611 | |
| 115 | G | A | -1.3147 | |
| 116 | G | A | -1.6191 | |
| 117 | S | A | -1.2073 | |
| 118 | G | A | -1.5812 | |
| 119 | G | A | -1.5955 | |
| 120 | G | A | -1.7218 | |
| 121 | G | A | -1.6440 | |
| 122 | S | A | -1.0769 | |
| 123 | G | A | -1.2891 | |
| 124 | G | A | -1.2434 | |
| 125 | G | A | -1.1719 | |
| 126 | G | A | -1.0141 | |
| 127 | S | A | -0.8328 | |
| 128 | V | A | -0.5385 | |
| 129 | Q | A | -1.0090 | |
| 130 | L | A | 0.0000 | |
| 131 | V | A | 0.2625 | |
| 132 | Q | A | 0.0000 | |
| 133 | S | A | -0.5804 | |
| 134 | G | A | -0.6417 | |
| 135 | A | A | -0.1009 | |
| 136 | E | A | -0.2014 | |
| 137 | V | A | 0.8520 | |
| 138 | K | A | -0.9306 | |
| 139 | K | A | -2.1592 | |
| 140 | P | A | -2.2651 | |
| 141 | G | A | -1.6011 | |
| 142 | A | A | -1.2445 | |
| 143 | S | A | -1.3208 | |
| 144 | V | A | 0.0000 | |
| 145 | K | A | -1.8169 | |
| 146 | V | A | 0.0000 | |
| 147 | S | A | -0.5877 | |
| 148 | C | A | 0.0000 | |
| 149 | K | A | -0.8722 | |
| 150 | A | A | 0.0000 | |
| 151 | S | A | -0.5567 | |
| 152 | G | A | -0.6693 | |
| 153 | Y | A | -0.1734 | |
| 154 | T | A | -0.0916 | |
| 155 | F | A | 0.0000 | |
| 156 | T | A | 0.0272 | |
| 157 | D | A | -0.0953 | |
| 158 | Y | A | 0.0760 | |
| 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 | 0.0000 | |
| 165 | Q | A | -0.5738 | |
| 166 | A | A | -1.0097 | |
| 167 | P | A | -1.0269 | |
| 168 | G | A | -1.2114 | |
| 169 | Q | A | -1.6788 | |
| 170 | G | A | -0.9493 | |
| 171 | L | A | 0.0000 | |
| 172 | E | A | -0.5548 | |
| 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 | 0.2803 | |
| 181 | Y | A | 0.5139 | |
| 182 | G | A | -0.0600 | |
| 183 | S | A | 0.0000 | |
| 184 | T | A | 0.0000 | |
| 185 | G | A | 0.0000 | |
| 186 | Y | A | -0.5278 | |
| 187 | A | A | 0.0000 | |
| 188 | L | A | -0.0975 | |
| 189 | K | A | -1.5314 | |
| 190 | F | A | 0.0000 | |
| 191 | K | A | -1.8983 | |
| 192 | G | A | -1.4976 | |
| 193 | R | A | -1.4324 | |
| 194 | V | A | 0.0000 | |
| 195 | T | A | -0.8551 | |
| 196 | M | A | 0.0000 | |
| 197 | T | A | -0.5672 | |
| 198 | R | A | -0.9996 | |
| 199 | D | A | -1.1995 | |
| 200 | T | A | -0.6624 | |
| 201 | S | A | -0.5550 | |
| 202 | T | A | -0.6509 | |
| 203 | S | A | -0.7208 | |
| 204 | T | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | Y | A | -0.7448 | |
| 207 | M | A | 0.0000 | |
| 208 | E | A | -1.3974 | |
| 209 | L | A | 0.0000 | |
| 210 | S | A | -1.1404 | |
| 211 | S | A | -1.2676 | |
| 212 | L | A | 0.0000 | |
| 213 | R | A | -3.1324 | |
| 214 | S | A | -2.4115 | |
| 215 | E | A | -2.5883 | |
| 216 | D | A | 0.0000 | |
| 217 | T | A | -0.8500 | |
| 218 | A | A | 0.0000 | |
| 219 | V | A | 0.2141 | |
| 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 | -0.5527 | |
| 228 | Y | A | -0.3543 | |
| 229 | G | A | 0.0000 | |
| 230 | S | A | 0.0000 | |
| 231 | D | A | -0.3394 | |
| 232 | Y | A | -0.2535 | |
| 233 | W | A | -0.3070 | |
| 234 | G | A | 0.0000 | |
| 235 | Q | A | -1.2589 | |
| 236 | G | A | -0.5565 | |
| 237 | T | A | 0.0000 | |
| 238 | T | A | -0.0008 | |
| 239 | V | A | 0.0000 | |
| 240 | T | A | -0.3416 | |
| 241 | V | A | 0.0000 | |
| 242 | S | A | -1.0967 | |
| 243 | S | A | -1.0271 | |
| 1 | A | B | 0.0000 | |
| 2 | Q | B | -2.0728 | |
| 3 | E | B | -2.7720 | |
| 4 | V | B | 0.0000 | |
| 5 | Q | B | -1.8201 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.5257 | |
| 8 | P | B | 0.0000 | |
| 9 | H | B | -0.2937 | |
| 10 | C | B | 0.0000 | |
| 11 | T | B | 0.0000 | |
| 12 | T | B | 0.0000 | |
| 13 | V | B | 0.0000 | |
| 14 | P | B | -1.1790 | |
| 15 | V | B | -0.8976 | |
| 16 | G | B | -1.3742 | |
| 17 | A | B | -0.7649 | |
| 18 | S | B | -0.8705 | |
| 19 | V | B | 0.0000 | |
| 20 | N | B | -0.8801 | |
| 21 | I | B | 0.0000 | |
| 22 | T | B | -0.9220 | |
| 23 | C | B | 0.0000 | |
| 24 | S | B | -1.8806 | |
| 25 | T | B | -2.0828 | |
| 26 | S | B | -2.0394 | |
| 27 | G | B | -1.5745 | |
| 28 | G | B | -1.6370 | |
| 29 | L | B | -1.8622 | |
| 30 | R | B | -2.5138 | |
| 31 | G | B | 0.0000 | |
| 32 | I | B | 0.0000 | |
| 33 | Y | B | 0.1848 | |
| 34 | L | B | 0.0000 | |
| 35 | R | B | -0.6740 | |
| 36 | Q | B | -0.6791 | |
| 37 | L | B | -0.1590 | |
| 38 | G | B | -0.9126 | |
| 39 | P | B | -1.1586 | |
| 40 | Q | B | -1.4948 | |
| 41 | P | B | -1.1801 | |
| 42 | Q | B | -1.4483 | |
| 43 | D | B | -1.1655 | |
| 44 | I | B | 0.0000 | |
| 45 | I | B | 0.0000 | |
| 46 | Y | B | 0.4667 | |
| 47 | Y | B | 0.1579 | |
| 48 | E | B | -0.7324 | |
| 49 | D | B | -1.8969 | |
| 50 | G | B | -0.3427 | |
| 51 | V | B | 1.3638 | |
| 52 | V | B | 1.9876 | |
| 53 | P | B | 0.7718 | |
| 54 | T | B | 0.0080 | |
| 55 | T | B | -1.1420 | |
| 56 | D | B | -2.1154 | |
| 57 | R | B | -2.9713 | |
| 58 | R | B | -2.2236 | |
| 59 | F | B | 0.0000 | |
| 60 | R | B | -3.1449 | |
| 61 | G | B | -2.2352 | |
| 62 | R | B | -2.0972 | |
| 63 | I | B | -1.5768 | |
| 64 | D | B | -1.9384 | |
| 65 | F | B | -0.6652 | |
| 66 | S | B | -0.9357 | |
| 67 | G | B | -1.1904 | |
| 68 | S | B | -1.6476 | |
| 69 | Q | B | -2.0596 | |
| 70 | D | B | -2.7872 | |
| 71 | N | B | -2.4424 | |
| 72 | L | B | 0.0000 | |
| 73 | T | B | -1.0815 | |
| 74 | I | B | 0.0000 | |
| 75 | T | B | -0.9028 | |
| 76 | M | B | 0.0000 | |
| 77 | H | B | -1.7394 | |
| 78 | R | B | -2.2762 | |
| 79 | L | B | 0.0000 | |
| 80 | Q | B | -1.1065 | |
| 81 | L | B | -0.0290 | |
| 82 | S | B | -0.1287 | |
| 83 | D | B | 0.0000 | |
| 84 | T | B | -0.0936 | |
| 85 | G | B | -0.0969 | |
| 86 | T | B | -0.0714 | |
| 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 | -0.4737 | |
| 93 | T | B | -1.2461 | |
| 94 | E | B | -1.4531 | |
| 95 | V | B | 0.3444 | |
| 96 | N | B | -0.7176 | |
| 97 | V | B | -0.3145 | |
| 98 | Y | B | 0.1954 | |
| 99 | G | B | -0.4158 | |
| 100 | S | B | -0.5152 | |
| 101 | G | B | 0.0000 | |
| 102 | T | B | 0.0000 | |
| 103 | L | B | -0.0514 | |
| 104 | V | B | 0.0000 | |
| 105 | L | B | 0.0000 | |
| 106 | V | B | 0.0000 | |
| 107 | T | B | 0.0000 | |
| 108 | E | B | -3.1307 | |
| 109 | E | B | -3.6723 | |
| 110 | Q | B | -2.9271 | |
| 111 | S | B | -1.9342 | |
| 112 | Q | B | -2.6613 | |
| 113 | G | B | -1.7578 | |
| 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 | -1.2193 | |
| 120 | A | B | -1.0133 | |
| 121 | P | B | -1.0434 | |
| 122 | P | B | -1.4529 | |
| 123 | R | B | -2.0419 | |
| 124 | A | B | -0.7522 | |
| 125 | S | B | -0.4112 | |
| 126 | A | B | 0.3918 | |
| 127 | L | B | 1.3745 | |
| 128 | P | B | 0.3929 | |
| 129 | A | B | 0.1697 | |
| 130 | P | B | -0.2654 | |
| 131 | P | B | -0.6224 | |
| 132 | T | B | -0.5345 | |
| 133 | G | B | -0.4487 | |
| 134 | S | B | -0.0674 | |
| 135 | A | B | 0.1902 | |
| 136 | L | B | 0.7904 | |
| 137 | P | B | -0.6660 | |
| 138 | D | B | -1.9704 | |
| 139 | P | B | -1.5299 | |
| 140 | Q | B | -1.9346 | |
| 141 | T | B | -1.0273 | |
| 142 | A | B | -0.2041 | |
| 143 | S | B | 0.0253 | |
| 144 | A | B | 0.3665 | |
| 145 | L | B | 0.9076 | |
| 146 | P | B | -0.4981 | |
| 147 | D | B | -1.6924 | |
| 148 | P | B | -1.0540 | |
| 149 | P | B | -0.8816 | |
| 150 | A | B | -0.4435 | |
| 151 | A | B | 0.1280 | |
| 152 | S | B | 0.2373 | |
| 153 | A | B | 0.6698 | |
| 154 | L | B | 1.4010 | |
| 155 | P | B | 0.4778 |
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