| Chain sequence(s) |
A: MAVYDQSGDRNRTQIDTSRKRKSRSRGDGTTVAERLKRWKEYNETVEEVSTKKRKVPAKGSKKGCMKGKGGPENSRCSFRGVRQRIWGKWVAEIREPNRGSRLWLGTFPTAQEAASAYDEAAKAMYGPLARLNFPRSDASEVTSTSSQSEVCTVETPGCVHVKTEDPDCESKPFSGGVEPMYCLENGAEEMKRGVKADKHWLSEFEHNYWSDILKEKEKQKEQGIVETCQQQQQDSLSVADYGWPNDVDQSHLDSSDMFDVDELLRDLNGDDVFAGLNQDRYPGNSVANGSYRPESQQSGFDPLQSLNYGIPPFQLEGKDGNGFFDDLSYLDLEN
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| pH calculations | No |
| alphaCutter usage | No |
| 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] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:00)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:03)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 1.6478 | |
| 2 | A | A | 1.5571 | |
| 3 | V | A | 2.0742 | |
| 4 | Y | A | 1.0930 | |
| 5 | D | A | -1.3625 | |
| 6 | Q | A | -1.9984 | |
| 7 | S | A | -2.0819 | |
| 8 | G | A | -2.6471 | |
| 9 | D | A | -3.7185 | |
| 10 | R | A | -3.9739 | |
| 11 | N | A | -3.7930 | |
| 12 | R | A | -3.2633 | |
| 13 | T | A | -1.8352 | |
| 14 | Q | A | -1.4089 | |
| 15 | I | A | 0.0534 | |
| 16 | D | A | -1.8530 | |
| 17 | T | A | -1.8121 | |
| 18 | S | A | -2.2931 | |
| 19 | R | A | -3.7628 | |
| 20 | K | A | -4.2416 | |
| 21 | R | A | -4.3794 | |
| 22 | K | A | -3.9277 | |
| 23 | S | A | -2.9399 | |
| 24 | R | A | -3.0527 | |
| 25 | S | A | -2.3772 | |
| 26 | R | A | -2.2464 | |
| 27 | G | A | -2.0848 | |
| 28 | D | A | -2.5234 | |
| 29 | G | A | -2.0358 | |
| 30 | T | A | -1.4820 | |
| 31 | T | A | -1.1437 | |
| 32 | V | A | -0.0019 | |
| 33 | A | A | -0.7746 | |
| 34 | E | A | -1.9375 | |
| 35 | R | A | -1.6650 | |
| 36 | L | A | -2.0413 | |
| 37 | K | A | -3.3135 | |
| 38 | R | A | -3.3244 | |
| 39 | W | A | -2.2740 | |
| 40 | K | A | -3.4832 | |
| 41 | E | A | -2.7227 | |
| 42 | Y | A | -1.1076 | |
| 43 | N | A | -2.3990 | |
| 44 | E | A | -3.1421 | |
| 45 | T | A | -1.6080 | |
| 46 | V | A | -1.5238 | |
| 47 | E | A | -2.7827 | |
| 48 | E | A | -2.2403 | |
| 49 | V | A | -0.0669 | |
| 50 | S | A | -1.0358 | |
| 51 | T | A | -1.5230 | |
| 52 | K | A | -2.8231 | |
| 53 | K | A | -3.0028 | |
| 54 | R | A | -2.2956 | |
| 55 | K | A | -1.9691 | |
| 56 | V | A | -0.5122 | |
| 57 | P | A | -0.8012 | |
| 58 | A | A | -1.0750 | |
| 59 | K | A | -2.2527 | |
| 60 | G | A | -2.1592 | |
| 61 | S | A | -2.3290 | |
| 62 | K | A | -3.1808 | |
| 63 | K | A | -2.8420 | |
| 64 | G | A | -2.1421 | |
| 65 | C | A | -1.5634 | |
| 66 | M | A | -0.9015 | |
| 67 | K | A | -2.4426 | |
| 68 | G | A | -1.9249 | |
| 69 | K | A | -2.2917 | |
| 70 | G | A | -1.4778 | |
| 71 | G | A | 0.0000 | |
| 72 | P | A | -1.1419 | |
| 73 | E | A | -1.6159 | |
| 74 | N | A | 0.0000 | |
| 75 | S | A | -2.0649 | |
| 76 | R | A | -2.3644 | |
| 77 | C | A | 0.0000 | |
| 78 | S | A | -1.3202 | |
| 79 | F | A | -0.4555 | |
| 80 | R | A | -0.9521 | |
| 81 | G | A | -0.7151 | |
| 82 | V | A | 0.0000 | |
| 83 | R | A | -1.3222 | |
| 84 | Q | A | 0.0000 | |
| 85 | R | A | -1.4844 | |
| 86 | I | A | 0.8944 | |
| 87 | W | A | 1.0083 | |
| 88 | G | A | -0.3805 | |
| 89 | K | A | -1.2768 | |
| 90 | W | A | 0.0000 | |
| 91 | V | A | 0.0000 | |
| 92 | A | A | 0.0000 | |
| 93 | E | A | -0.9524 | |
| 94 | I | A | 0.0000 | |
| 95 | R | A | -3.1480 | |
| 96 | E | A | 0.0000 | |
| 97 | P | A | -1.8979 | |
| 98 | N | A | -2.5728 | |
| 99 | R | A | -3.2786 | |
| 100 | G | A | -2.6711 | |
| 101 | S | A | -2.4014 | |
| 102 | R | A | -2.7906 | |
| 103 | L | A | 0.0000 | |
| 104 | W | A | 0.0295 | |
| 105 | L | A | 0.1873 | |
| 106 | G | A | 0.1858 | |
| 107 | T | A | -0.5783 | |
| 108 | F | A | -0.6317 | |
| 109 | P | A | -0.8823 | |
| 110 | T | A | -1.0335 | |
| 111 | A | A | -1.1588 | |
| 112 | Q | A | -1.5514 | |
| 113 | E | A | -1.6292 | |
| 114 | A | A | 0.0000 | |
| 115 | A | A | 0.0000 | |
| 116 | S | A | -1.0023 | |
| 117 | A | A | -1.0657 | |
| 118 | Y | A | 0.0000 | |
| 119 | D | A | 0.0000 | |
| 120 | E | A | -2.0497 | |
| 121 | A | A | 0.0000 | |
| 122 | A | A | 0.0000 | |
| 123 | K | A | -1.8265 | |
| 124 | A | A | -2.2541 | |
| 125 | M | A | 0.0000 | |
| 126 | Y | A | -0.4668 | |
| 127 | G | A | -1.0075 | |
| 128 | P | A | -0.0720 | |
| 129 | L | A | 0.1080 | |
| 130 | A | A | -0.5402 | |
| 131 | R | A | -0.8782 | |
| 132 | L | A | -0.6459 | |
| 133 | N | A | -0.3391 | |
| 134 | F | A | -0.1361 | |
| 135 | P | A | -1.2071 | |
| 136 | R | A | -2.4399 | |
| 137 | S | A | -1.9759 | |
| 138 | D | A | -2.8134 | |
| 139 | A | A | -1.6073 | |
| 140 | S | A | -1.4180 | |
| 141 | E | A | -1.3591 | |
| 142 | V | A | 0.7761 | |
| 143 | T | A | 0.2528 | |
| 144 | S | A | -0.2666 | |
| 145 | T | A | -0.2052 | |
| 146 | S | A | -0.7047 | |
| 147 | S | A | -1.0450 | |
| 148 | Q | A | -1.7207 | |
| 149 | S | A | -1.2434 | |
| 150 | E | A | -1.1731 | |
| 151 | V | A | 1.2488 | |
| 152 | C | A | 1.2844 | |
| 153 | T | A | 0.9675 | |
| 154 | V | A | 1.1918 | |
| 155 | E | A | -1.0353 | |
| 156 | T | A | -0.7722 | |
| 157 | P | A | -0.6394 | |
| 158 | G | A | -0.0392 | |
| 159 | C | A | 1.0780 | |
| 160 | V | A | 1.9419 | |
| 161 | H | A | 0.4902 | |
| 162 | V | A | 0.6697 | |
| 163 | K | A | -1.6903 | |
| 164 | T | A | -1.8793 | |
| 165 | E | A | -2.9898 | |
| 166 | D | A | -3.3388 | |
| 167 | P | A | -2.2540 | |
| 168 | D | A | -2.4056 | |
| 169 | C | A | -1.4746 | |
| 170 | E | A | -2.4316 | |
| 171 | S | A | -1.5892 | |
| 172 | K | A | -1.8500 | |
| 173 | P | A | -0.4200 | |
| 174 | F | A | 1.1817 | |
| 175 | S | A | 0.1543 | |
| 176 | G | A | 0.0111 | |
| 177 | G | A | -0.3217 | |
| 178 | V | A | 0.6135 | |
| 179 | E | A | -0.7808 | |
| 180 | P | A | 0.0960 | |
| 181 | M | A | 1.5941 | |
| 182 | Y | A | 2.2613 | |
| 183 | C | A | 1.9395 | |
| 184 | L | A | 1.2042 | |
| 185 | E | A | -1.6415 | |
| 186 | N | A | -1.9313 | |
| 187 | G | A | -2.1193 | |
| 188 | A | A | -1.7096 | |
| 189 | E | A | -2.7678 | |
| 190 | E | A | -2.9334 | |
| 191 | M | A | -1.6375 | |
| 192 | K | A | -2.6949 | |
| 193 | R | A | -2.5506 | |
| 194 | G | A | -1.2949 | |
| 195 | V | A | -0.1788 | |
| 196 | K | A | -1.8889 | |
| 197 | A | A | -1.5744 | |
| 198 | D | A | -2.6250 | |
| 199 | K | A | -2.6917 | |
| 200 | H | A | -1.4696 | |
| 201 | W | A | 0.1691 | |
| 202 | L | A | 0.4374 | |
| 203 | S | A | -0.9480 | |
| 204 | E | A | -1.1412 | |
| 205 | F | A | 0.8667 | |
| 206 | E | A | -0.8915 | |
| 207 | H | A | -1.5261 | |
| 208 | N | A | -1.1413 | |
| 209 | Y | A | 0.4454 | |
| 210 | W | A | 0.7298 | |
| 211 | S | A | -0.5799 | |
| 212 | D | A | -1.9953 | |
| 213 | I | A | -0.4946 | |
| 214 | L | A | -0.9484 | |
| 215 | K | A | -3.7297 | |
| 216 | E | A | -4.4081 | |
| 217 | K | A | -4.9440 | |
| 218 | E | A | -5.6401 | |
| 219 | K | A | -5.4449 | |
| 220 | Q | A | -5.0795 | |
| 221 | K | A | -4.7512 | |
| 222 | E | A | -4.1099 | |
| 223 | Q | A | -3.1503 | |
| 224 | G | A | -1.6766 | |
| 225 | I | A | 0.4479 | |
| 226 | V | A | 0.5299 | |
| 227 | E | A | -1.5850 | |
| 228 | T | A | -0.8721 | |
| 229 | C | A | -0.3428 | |
| 230 | Q | A | -2.2457 | |
| 231 | Q | A | -3.4598 | |
| 232 | Q | A | -3.6490 | |
| 233 | Q | A | -3.4234 | |
| 234 | Q | A | -3.3463 | |
| 235 | D | A | -2.9020 | |
| 236 | S | A | -1.3269 | |
| 237 | L | A | 0.8212 | |
| 238 | S | A | 0.8477 | |
| 239 | V | A | 1.9763 | |
| 240 | A | A | 0.6184 | |
| 241 | D | A | -0.2136 | |
| 242 | Y | A | 1.2629 | |
| 243 | G | A | 0.2018 | |
| 244 | W | A | 0.8007 | |
| 245 | P | A | -0.3917 | |
| 246 | N | A | -1.7442 | |
| 247 | D | A | -2.1299 | |
| 248 | V | A | -0.5625 | |
| 249 | D | A | -2.2499 | |
| 250 | Q | A | -1.9769 | |
| 251 | S | A | -1.4661 | |
| 252 | H | A | -1.6379 | |
| 253 | L | A | -0.6190 | |
| 254 | D | A | -2.0050 | |
| 255 | S | A | -1.0636 | |
| 256 | S | A | -1.1010 | |
| 257 | D | A | -1.4416 | |
| 258 | M | A | 0.7226 | |
| 259 | F | A | 1.2824 | |
| 260 | D | A | -0.6749 | |
| 261 | V | A | 0.7908 | |
| 262 | D | A | -1.7502 | |
| 263 | E | A | -2.0610 | |
| 264 | L | A | 0.2501 | |
| 265 | L | A | -0.3161 | |
| 266 | R | A | -2.5289 | |
| 267 | D | A | -2.4486 | |
| 268 | L | A | -0.5594 | |
| 269 | N | A | -2.2097 | |
| 270 | G | A | -2.4741 | |
| 271 | D | A | -2.5134 | |
| 272 | D | A | -1.6609 | |
| 273 | V | A | 1.2706 | |
| 274 | F | A | 2.2179 | |
| 275 | A | A | 1.0277 | |
| 276 | G | A | 0.3690 | |
| 277 | L | A | 0.5647 | |
| 278 | N | A | -1.5785 | |
| 279 | Q | A | -2.8404 | |
| 280 | D | A | -3.1242 | |
| 281 | R | A | -2.3329 | |
| 282 | Y | A | -0.2493 | |
| 283 | P | A | -0.4555 | |
| 284 | G | A | -0.9627 | |
| 285 | N | A | -1.2859 | |
| 286 | S | A | -0.3061 | |
| 287 | V | A | 1.1374 | |
| 288 | A | A | 0.1994 | |
| 289 | N | A | -1.1191 | |
| 290 | G | A | -0.8594 | |
| 291 | S | A | -0.4464 | |
| 292 | Y | A | 0.1739 | |
| 293 | R | A | -1.7633 | |
| 294 | P | A | -1.8654 | |
| 295 | E | A | -2.6717 | |
| 296 | S | A | -2.1091 | |
| 297 | Q | A | -2.3814 | |
| 298 | Q | A | -2.1081 | |
| 299 | S | A | -1.0593 | |
| 300 | G | A | -0.3225 | |
| 301 | F | A | 0.7062 | |
| 302 | D | A | -0.7520 | |
| 303 | P | A | -0.2781 | |
| 304 | L | A | 0.6026 | |
| 305 | Q | A | -0.3572 | |
| 306 | S | A | 0.0458 | |
| 307 | L | A | 0.9827 | |
| 308 | N | A | 0.0132 | |
| 309 | Y | A | 1.3014 | |
| 310 | G | A | 0.8661 | |
| 311 | I | A | 2.0099 | |
| 312 | P | A | 0.9597 | |
| 313 | P | A | 0.8432 | |
| 314 | F | A | 1.6325 | |
| 315 | Q | A | -0.1464 | |
| 316 | L | A | 0.2195 | |
| 317 | E | A | -2.0369 | |
| 318 | G | A | -2.4348 | |
| 319 | K | A | -3.3356 | |
| 320 | D | A | -3.4662 | |
| 321 | G | A | -2.3401 | |
| 322 | N | A | -1.9346 | |
| 323 | G | A | -0.0536 | |
| 324 | F | A | 1.9001 | |
| 325 | F | A | 1.6922 | |
| 326 | D | A | -1.0192 | |
| 327 | D | A | -1.3716 | |
| 328 | L | A | 0.6445 | |
| 329 | S | A | 0.8388 | |
| 330 | Y | A | 1.7966 | |
| 331 | L | A | 1.6845 | |
| 332 | D | A | -0.3768 | |
| 333 | L | A | -0.2056 | |
| 334 | E | A | -2.0847 | |
| 335 | N | A | -1.8570 |
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