| Chain sequence(s) |
A: MIEETHPNDDSYIVRVKAVVMTRDDSSGGWLAQEGGGLSRVGVCKVMPAELTGRSDFLIHGERLKDKQVILECFVRKDLIYTKATPTFHHWKVDNKKCGLTFQSPADARAFDRGVRKALEDLTEGSTTSSSTLQNEAELGDDDVFTTATDSSSNSSQKKDHSTQLVATSTFYEPHPHRCILQYRPPERYTLDQKFSRNLFPFEDEEIVRINPRERWMITGYEDYRYAAVPDKFIQPEDSDSYVQISKNDPVKHDYTYPYVPSPDFTQCDLKRPCGGGSTVVSTQPRAFILKGKRRKEDGERSRCVYCRDMFNHEENRRGQCHDAPDPIRTCIHRVSFMWCADSMLYHCMSDPEGDYSDPCSCDTSEERFCLRWTALLGLAMLAPCLCCYPPLHGCHRCGVACGCCGGKHKAVG
input PDB |
| Selected Chain(s) | A |
| 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 A 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 (00:04:52)
[INFO] Main: Simulation completed successfully. (00:04:55)
|
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 | M | A | 1.2409 | |
| 2 | I | A | 1.0936 | |
| 3 | E | A | -1.5863 | |
| 4 | E | A | -2.2869 | |
| 5 | T | A | -1.7426 | |
| 6 | H | A | -2.3394 | |
| 7 | P | A | -2.0446 | |
| 8 | N | A | -3.0371 | |
| 9 | D | A | -3.4891 | |
| 10 | D | A | -3.0479 | |
| 11 | S | A | -1.7425 | |
| 12 | Y | A | -1.3307 | |
| 13 | I | A | -0.5914 | |
| 14 | V | A | -0.9782 | |
| 15 | R | A | -2.2086 | |
| 16 | V | A | 0.0000 | |
| 17 | K | A | -1.7128 | |
| 18 | A | A | 0.0000 | |
| 19 | V | A | 0.0742 | |
| 20 | V | A | 0.0000 | |
| 21 | M | A | -0.0754 | |
| 22 | T | A | -0.9930 | |
| 23 | R | A | -1.9770 | |
| 24 | D | A | -2.3550 | |
| 25 | D | A | -2.9409 | |
| 26 | S | A | -1.7193 | |
| 27 | S | A | -1.3612 | |
| 28 | G | A | -1.5536 | |
| 29 | G | A | -0.8990 | |
| 30 | W | A | -0.2939 | |
| 31 | L | A | 0.2369 | |
| 32 | A | A | -0.1662 | |
| 33 | Q | A | -1.0542 | |
| 34 | E | A | -2.1087 | |
| 35 | G | A | -1.6380 | |
| 36 | G | A | -0.8918 | |
| 37 | G | A | -0.5948 | |
| 38 | L | A | -0.3914 | |
| 39 | S | A | 0.0000 | |
| 40 | R | A | -1.7646 | |
| 41 | V | A | 0.0000 | |
| 42 | G | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | C | A | 0.0000 | |
| 45 | K | A | -0.5857 | |
| 46 | V | A | 0.3459 | |
| 47 | M | A | 0.4919 | |
| 48 | P | A | -0.3319 | |
| 49 | A | A | -0.4641 | |
| 50 | E | A | -1.1960 | |
| 51 | L | A | 0.3273 | |
| 52 | T | A | -0.5241 | |
| 53 | G | A | -0.8384 | |
| 54 | R | A | -1.6416 | |
| 55 | S | A | -0.9647 | |
| 56 | D | A | -0.5840 | |
| 57 | F | A | 0.0000 | |
| 58 | L | A | 0.0000 | |
| 59 | I | A | 0.0000 | |
| 60 | H | A | 0.0000 | |
| 61 | G | A | 0.0000 | |
| 62 | E | A | -1.7772 | |
| 63 | R | A | 0.0000 | |
| 64 | L | A | -1.9545 | |
| 65 | K | A | -3.1831 | |
| 66 | D | A | -3.6451 | |
| 67 | K | A | -3.5029 | |
| 68 | Q | A | -2.5138 | |
| 69 | V | A | -1.1246 | |
| 70 | I | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | E | A | -1.4784 | |
| 73 | C | A | 0.0000 | |
| 74 | F | A | 0.0614 | |
| 75 | V | A | 0.0000 | |
| 76 | R | A | -1.9461 | |
| 77 | K | A | -2.9539 | |
| 78 | D | A | -2.6516 | |
| 79 | L | A | 0.0000 | |
| 80 | I | A | 0.7904 | |
| 81 | Y | A | 0.4105 | |
| 82 | T | A | 0.1257 | |
| 83 | K | A | -0.9962 | |
| 84 | A | A | -0.4139 | |
| 85 | T | A | -0.4776 | |
| 86 | P | A | -0.9579 | |
| 87 | T | A | -0.8052 | |
| 88 | F | A | -0.1370 | |
| 89 | H | A | 0.0000 | |
| 90 | H | A | -0.2426 | |
| 91 | W | A | 0.0000 | |
| 92 | K | A | -1.8622 | |
| 93 | V | A | -1.9545 | |
| 94 | D | A | -3.1964 | |
| 95 | N | A | -3.0871 | |
| 96 | K | A | -3.4709 | |
| 97 | K | A | -2.4535 | |
| 98 | C | A | -1.2514 | |
| 99 | G | A | 0.0000 | |
| 100 | L | A | 0.0000 | |
| 101 | T | A | -0.2303 | |
| 102 | F | A | 0.0000 | |
| 103 | Q | A | -1.4325 | |
| 104 | S | A | -1.2634 | |
| 105 | P | A | -1.1865 | |
| 106 | A | A | -1.1731 | |
| 107 | D | A | -1.9192 | |
| 108 | A | A | 0.0000 | |
| 109 | R | A | -2.4443 | |
| 110 | A | A | -1.6252 | |
| 111 | F | A | 0.0000 | |
| 112 | D | A | -1.9699 | |
| 113 | R | A | -2.5426 | |
| 114 | G | A | 0.0000 | |
| 115 | V | A | 0.0000 | |
| 116 | R | A | -3.0818 | |
| 117 | K | A | -3.3686 | |
| 118 | A | A | 0.0000 | |
| 119 | L | A | -3.1768 | |
| 120 | E | A | -3.9085 | |
| 121 | D | A | -3.7919 | |
| 122 | L | A | 0.0000 | |
| 123 | T | A | -2.6773 | |
| 124 | E | A | -3.0770 | |
| 125 | G | A | -2.5363 | |
| 126 | S | A | -1.6918 | |
| 127 | T | A | -0.9822 | |
| 128 | T | A | -0.8701 | |
| 129 | S | A | -0.9726 | |
| 130 | S | A | -0.5502 | |
| 131 | S | A | -0.3004 | |
| 132 | T | A | -0.0719 | |
| 133 | L | A | 0.3135 | |
| 134 | Q | A | -1.5193 | |
| 135 | N | A | -2.6549 | |
| 136 | E | A | -2.8732 | |
| 137 | A | A | -1.9150 | |
| 138 | E | A | -1.6489 | |
| 139 | L | A | 0.0324 | |
| 140 | G | A | -1.3177 | |
| 141 | D | A | -3.0043 | |
| 142 | D | A | -3.2303 | |
| 143 | D | A | -1.7692 | |
| 144 | V | A | 1.4308 | |
| 145 | F | A | 2.3996 | |
| 146 | T | A | 1.2037 | |
| 147 | T | A | 0.3681 | |
| 148 | A | A | -0.4081 | |
| 149 | T | A | -1.0616 | |
| 150 | D | A | -1.9698 | |
| 151 | S | A | -1.2973 | |
| 152 | S | A | -1.1487 | |
| 153 | S | A | -1.0591 | |
| 154 | N | A | -1.5905 | |
| 155 | S | A | -1.2985 | |
| 156 | S | A | -1.6334 | |
| 157 | Q | A | -2.6330 | |
| 158 | K | A | -3.6829 | |
| 159 | K | A | -4.0005 | |
| 160 | D | A | -3.6055 | |
| 161 | H | A | -2.4175 | |
| 162 | S | A | -1.6325 | |
| 163 | T | A | -0.8964 | |
| 164 | Q | A | -0.1447 | |
| 165 | L | A | 1.8218 | |
| 166 | V | A | 2.3135 | |
| 167 | A | A | 1.1673 | |
| 168 | T | A | 0.1955 | |
| 169 | S | A | 0.1200 | |
| 170 | T | A | 1.0581 | |
| 171 | F | A | 2.1448 | |
| 172 | Y | A | 1.2727 | |
| 173 | E | A | -1.0898 | |
| 174 | P | A | -1.4459 | |
| 175 | H | A | -1.7835 | |
| 176 | P | A | -1.6436 | |
| 177 | H | A | -1.8503 | |
| 178 | R | A | -1.3473 | |
| 179 | C | A | 0.7998 | |
| 180 | I | A | 2.3990 | |
| 181 | L | A | 2.2665 | |
| 182 | Q | A | 0.3730 | |
| 183 | Y | A | 0.3557 | |
| 184 | R | A | -1.6646 | |
| 185 | P | A | -1.3324 | |
| 186 | P | A | -1.9954 | |
| 187 | E | A | -2.6365 | |
| 188 | R | A | -2.1458 | |
| 189 | Y | A | 0.1937 | |
| 190 | T | A | 0.3150 | |
| 191 | L | A | 0.4662 | |
| 192 | D | A | -1.7259 | |
| 193 | Q | A | -2.0487 | |
| 194 | K | A | -1.8573 | |
| 195 | F | A | 0.1008 | |
| 196 | S | A | -1.0264 | |
| 197 | R | A | -2.0227 | |
| 198 | N | A | -1.1290 | |
| 199 | L | A | 1.4950 | |
| 200 | F | A | 2.7719 | |
| 201 | P | A | 1.5307 | |
| 202 | F | A | 0.9937 | |
| 203 | E | A | -2.1707 | |
| 204 | D | A | -3.5943 | |
| 205 | E | A | -3.3742 | |
| 206 | E | A | -1.8976 | |
| 207 | I | A | 1.2940 | |
| 208 | V | A | 1.5980 | |
| 209 | R | A | -0.0908 | |
| 210 | I | A | 0.9316 | |
| 211 | N | A | -1.3827 | |
| 212 | P | A | -2.1214 | |
| 213 | R | A | -3.1867 | |
| 214 | E | A | -3.2991 | |
| 215 | R | A | -1.9258 | |
| 216 | W | A | 0.4217 | |
| 217 | M | A | 1.7539 | |
| 218 | I | A | 2.4460 | |
| 219 | T | A | 0.8392 | |
| 220 | G | A | 0.1353 | |
| 221 | Y | A | 0.3914 | |
| 222 | E | A | -1.5330 | |
| 223 | D | A | -1.1907 | |
| 224 | Y | A | 0.0228 | |
| 225 | R | A | -1.3994 | |
| 226 | Y | A | 0.0016 | |
| 227 | A | A | 0.3758 | |
| 228 | A | A | 0.7219 | |
| 229 | V | A | 1.1076 | |
| 230 | P | A | -0.3946 | |
| 231 | D | A | -1.5991 | |
| 232 | K | A | -1.0985 | |
| 233 | F | A | 1.3490 | |
| 234 | I | A | 1.6726 | |
| 235 | Q | A | -0.3964 | |
| 236 | P | A | -1.4030 | |
| 237 | E | A | -3.1164 | |
| 238 | D | A | -3.2210 | |
| 239 | S | A | -2.4017 | |
| 240 | D | A | -1.8411 | |
| 241 | S | A | -0.2450 | |
| 242 | Y | A | 1.5586 | |
| 243 | V | A | 2.0850 | |
| 244 | Q | A | 0.6207 | |
| 245 | I | A | 1.3356 | |
| 246 | S | A | -0.7678 | |
| 247 | K | A | -2.5208 | |
| 248 | N | A | -2.5391 | |
| 249 | D | A | -2.6969 | |
| 250 | P | A | -1.4005 | |
| 251 | V | A | -0.3225 | |
| 252 | K | A | -1.9358 | |
| 253 | H | A | -1.7818 | |
| 254 | D | A | -1.7055 | |
| 255 | Y | A | 0.2434 | |
| 256 | T | A | 0.6843 | |
| 257 | Y | A | 1.8994 | |
| 258 | P | A | 1.6195 | |
| 259 | Y | A | 2.2883 | |
| 260 | V | A | 2.2993 | |
| 261 | P | A | 0.5558 | |
| 262 | S | A | -0.0205 | |
| 263 | P | A | -0.7017 | |
| 264 | D | A | -1.1635 | |
| 265 | F | A | 0.6998 | |
| 266 | T | A | 0.0039 | |
| 267 | Q | A | -0.9512 | |
| 268 | C | A | -0.4403 | |
| 269 | D | A | -1.3019 | |
| 270 | L | A | -0.5255 | |
| 271 | K | A | -2.2128 | |
| 272 | R | A | -2.3292 | |
| 273 | P | A | -1.2376 | |
| 274 | C | A | -0.0781 | |
| 275 | G | A | -0.4869 | |
| 276 | G | A | -0.8364 | |
| 277 | G | A | -0.7194 | |
| 278 | S | A | 0.0764 | |
| 279 | T | A | 1.0120 | |
| 280 | V | A | 2.4227 | |
| 281 | V | A | 2.2949 | |
| 282 | S | A | 0.7283 | |
| 283 | T | A | -0.3500 | |
| 284 | Q | A | -1.6602 | |
| 285 | P | A | -1.4128 | |
| 286 | R | A | -1.3505 | |
| 287 | A | A | 0.7123 | |
| 288 | F | A | 2.6086 | |
| 289 | I | A | 2.8932 | |
| 290 | L | A | 2.0733 | |
| 291 | K | A | -0.9177 | |
| 292 | G | A | -1.9019 | |
| 293 | K | A | -3.7915 | |
| 294 | R | A | -4.6294 | |
| 295 | R | A | -4.8109 | |
| 296 | K | A | -4.6416 | |
| 297 | E | A | -4.5822 | |
| 298 | D | A | -4.2353 | |
| 299 | G | A | -4.0764 | |
| 300 | E | A | -4.1256 | |
| 301 | R | A | -4.0369 | |
| 302 | S | A | -2.7827 | |
| 303 | R | A | -3.0145 | |
| 304 | C | A | 0.0000 | |
| 305 | V | A | -0.8455 | |
| 306 | Y | A | -1.7787 | |
| 307 | C | A | -2.1059 | |
| 308 | R | A | -2.8071 | |
| 309 | D | A | -2.8522 | |
| 310 | M | A | -2.1013 | |
| 311 | F | A | 0.0000 | |
| 312 | N | A | -3.6188 | |
| 313 | H | A | -3.9056 | |
| 314 | E | A | -3.9993 | |
| 315 | E | A | -3.7223 | |
| 316 | N | A | -3.4978 | |
| 317 | R | A | -2.9972 | |
| 318 | R | A | -2.1839 | |
| 319 | G | A | -1.8820 | |
| 320 | Q | A | -2.5098 | |
| 321 | C | A | 0.0000 | |
| 322 | H | A | -2.3419 | |
| 323 | D | A | -2.6308 | |
| 324 | A | A | 0.0000 | |
| 325 | P | A | -1.3659 | |
| 326 | D | A | -1.4523 | |
| 327 | P | A | -0.5691 | |
| 328 | I | A | -0.5421 | |
| 329 | R | A | -2.0149 | |
| 330 | T | A | -0.9787 | |
| 331 | C | A | -0.1363 | |
| 332 | I | A | 0.0000 | |
| 333 | H | A | -0.5663 | |
| 334 | R | A | -0.8090 | |
| 335 | V | A | 1.0394 | |
| 336 | S | A | 0.0000 | |
| 337 | F | A | 0.9562 | |
| 338 | M | A | 0.0000 | |
| 339 | W | A | 0.2796 | |
| 340 | C | A | 0.3526 | |
| 341 | A | A | 0.0000 | |
| 342 | D | A | -0.1784 | |
| 343 | S | A | 0.1632 | |
| 344 | M | A | 0.3447 | |
| 345 | L | A | 0.0000 | |
| 346 | Y | A | 0.1611 | |
| 347 | H | A | -0.2715 | |
| 348 | C | A | 0.4366 | |
| 349 | M | A | -0.2350 | |
| 350 | S | A | -1.2286 | |
| 351 | D | A | -2.7220 | |
| 352 | P | A | -2.2751 | |
| 353 | E | A | -3.0657 | |
| 354 | G | A | -2.1328 | |
| 355 | D | A | -2.2555 | |
| 356 | Y | A | -1.1093 | |
| 357 | S | A | -1.3227 | |
| 358 | D | A | -1.7653 | |
| 359 | P | A | 0.0000 | |
| 360 | C | A | -0.2961 | |
| 361 | S | A | -0.5546 | |
| 362 | C | A | -0.1276 | |
| 363 | D | A | -1.4617 | |
| 364 | T | A | -1.0160 | |
| 365 | S | A | -1.5984 | |
| 366 | E | A | -1.9661 | |
| 367 | E | A | -2.6460 | |
| 368 | R | A | -1.7510 | |
| 369 | F | A | -0.5271 | |
| 370 | C | A | 0.5814 | |
| 371 | L | A | 0.6886 | |
| 372 | R | A | 0.0000 | |
| 373 | W | A | 1.2397 | |
| 374 | T | A | 1.0101 | |
| 375 | A | A | 1.1994 | |
| 376 | L | A | 0.0000 | |
| 377 | L | A | 2.2029 | |
| 378 | G | A | 1.4296 | |
| 379 | L | A | 1.6997 | |
| 380 | A | A | 1.8815 | |
| 381 | M | A | 2.2159 | |
| 382 | L | A | 2.2263 | |
| 383 | A | A | 1.5150 | |
| 384 | P | A | 1.1446 | |
| 385 | C | A | 1.0669 | |
| 386 | L | A | 0.0000 | |
| 387 | C | A | 1.2982 | |
| 388 | C | A | 1.0149 | |
| 389 | Y | A | 0.0000 | |
| 390 | P | A | 0.0487 | |
| 391 | P | A | -0.0621 | |
| 392 | L | A | 0.2560 | |
| 393 | H | A | -0.5617 | |
| 394 | G | A | -0.3617 | |
| 395 | C | A | 0.3747 | |
| 396 | H | A | 0.0000 | |
| 397 | R | A | -1.0000 | |
| 398 | C | A | 0.5341 | |
| 399 | G | A | 0.4922 | |
| 400 | V | A | -0.0109 | |
| 401 | A | A | 0.3431 | |
| 402 | C | A | 0.7113 | |
| 403 | G | A | -0.1214 | |
| 404 | C | A | 0.4968 | |
| 405 | C | A | 0.0000 | |
| 406 | G | A | 0.0000 | |
| 407 | G | A | 0.0000 | |
| 408 | K | A | -3.0656 | |
| 409 | H | A | -3.1450 | |
| 410 | K | A | -2.1695 | |
| 411 | A | A | -1.4028 | |
| 412 | V | A | 0.6113 | |
| 413 | G | A | -0.0217 |
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