| Chain sequence(s) |
A: MKAISQYACQRRTTLNNHNQRFTDAFEILAKNYEFRENPVLCLTFLRATSVLKCLPFAIVSMKDTEGLPWIGDEVKGIMEAIIEEGESLEVQAVLNDERYQSFKLFTSVFGVGIKTSEKWYRMGFRTLREIRSDKSLRFTKMQEAGFRYYDDIIACVSKAEADAVSLLVKEAVWTFLPDALVTTTGHFRRRKEFGHDVDFLITSPGAEKEQEDQLLQRVTNLWEKQGLLLYCDLIESTFEDLKLPSRKVDALDHFQKCFLILKLYHRRGDMSKWEMPAGSNVLEAKNWKAIRVDLVVCPYDRYAYALLGWSGSRQFERDLRRYATHEKKMMLDNHALYDKTKRIFLEAKSEEEIFEHLGLEYIEPWERNA
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| 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] (00:00:01)
[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 A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimization (00:00:01)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:19:18)
[INFO] Main: Simulation completed successfully. (00:19:22)
|
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 | 0.3036 | |
| 2 | K | A | -1.0708 | |
| 3 | A | A | -0.4605 | |
| 4 | I | A | -0.1924 | |
| 5 | S | A | -0.5224 | |
| 6 | Q | A | -0.6272 | |
| 7 | Y | A | 0.0000 | |
| 8 | A | A | 0.0000 | |
| 9 | C | A | 0.0000 | |
| 10 | Q | A | -1.3298 | |
| 11 | R | A | 0.0000 | |
| 12 | R | A | -1.4323 | |
| 13 | T | A | 0.0000 | |
| 14 | T | A | -0.7467 | |
| 15 | L | A | -0.5169 | |
| 16 | N | A | -1.2859 | |
| 17 | N | A | -1.4447 | |
| 18 | H | A | -1.3943 | |
| 19 | N | A | 0.0000 | |
| 20 | Q | A | -2.6375 | |
| 21 | R | A | -2.6908 | |
| 22 | F | A | 0.0000 | |
| 23 | T | A | 0.0000 | |
| 24 | D | A | -2.4326 | |
| 25 | A | A | 0.0000 | |
| 26 | F | A | 0.0000 | |
| 27 | E | A | -1.9215 | |
| 28 | I | A | -0.9610 | |
| 29 | L | A | 0.0000 | |
| 30 | A | A | 0.0000 | |
| 31 | K | A | -1.7629 | |
| 32 | N | A | 0.0000 | |
| 33 | Y | A | -1.5067 | |
| 34 | E | A | -1.9749 | |
| 35 | F | A | 0.0000 | |
| 36 | R | A | -3.1105 | |
| 37 | E | A | -2.9739 | |
| 38 | N | A | -1.5845 | |
| 39 | P | A | -0.3266 | |
| 40 | V | A | 1.5405 | |
| 41 | L | A | 0.3760 | |
| 42 | C | A | 0.0000 | |
| 43 | L | A | 1.0661 | |
| 44 | T | A | 0.7186 | |
| 45 | F | A | 0.0000 | |
| 46 | L | A | 0.2868 | |
| 47 | R | A | 0.0000 | |
| 48 | A | A | 0.0000 | |
| 49 | T | A | 0.0000 | |
| 50 | S | A | 0.0000 | |
| 51 | V | A | 0.0000 | |
| 52 | L | A | 0.0000 | |
| 53 | K | A | -0.8989 | |
| 54 | C | A | -0.5249 | |
| 55 | L | A | 0.0000 | |
| 56 | P | A | -0.4135 | |
| 57 | F | A | 0.4190 | |
| 58 | A | A | 0.1002 | |
| 59 | I | A | 0.0000 | |
| 60 | V | A | 1.3648 | |
| 61 | S | A | -0.4709 | |
| 62 | M | A | -1.3028 | |
| 63 | K | A | -2.3322 | |
| 64 | D | A | -1.5982 | |
| 65 | T | A | 0.0000 | |
| 66 | E | A | -2.6844 | |
| 67 | G | A | -1.4266 | |
| 68 | L | A | -0.6253 | |
| 69 | P | A | -0.2296 | |
| 70 | W | A | 0.1009 | |
| 71 | I | A | -0.8893 | |
| 72 | G | A | -1.6337 | |
| 73 | D | A | -3.0204 | |
| 74 | E | A | -2.9994 | |
| 75 | V | A | 0.0000 | |
| 76 | K | A | -2.3758 | |
| 77 | G | A | -2.2749 | |
| 78 | I | A | 0.0000 | |
| 79 | M | A | 0.0000 | |
| 80 | E | A | -2.5420 | |
| 81 | A | A | -2.2726 | |
| 82 | I | A | 0.0000 | |
| 83 | I | A | -1.6861 | |
| 84 | E | A | -3.0889 | |
| 85 | E | A | -3.3096 | |
| 86 | G | A | -2.8028 | |
| 87 | E | A | -2.7167 | |
| 88 | S | A | 0.0000 | |
| 89 | L | A | 0.3577 | |
| 90 | E | A | -0.8068 | |
| 91 | V | A | 0.0000 | |
| 92 | Q | A | -0.6044 | |
| 93 | A | A | -0.6894 | |
| 94 | V | A | 0.0000 | |
| 95 | L | A | -0.8201 | |
| 96 | N | A | -2.1220 | |
| 97 | D | A | -2.1076 | |
| 98 | E | A | -2.9189 | |
| 99 | R | A | -2.3258 | |
| 100 | Y | A | 0.0000 | |
| 101 | Q | A | -2.2424 | |
| 102 | S | A | 0.0000 | |
| 103 | F | A | 0.0000 | |
| 104 | K | A | -1.4036 | |
| 105 | L | A | -0.3264 | |
| 106 | F | A | 0.0000 | |
| 107 | T | A | -0.3863 | |
| 108 | S | A | 0.1109 | |
| 109 | V | A | 0.0000 | |
| 110 | F | A | -0.1767 | |
| 111 | G | A | -0.5836 | |
| 112 | V | A | 0.0000 | |
| 113 | G | A | -0.7058 | |
| 114 | I | A | -1.6551 | |
| 115 | K | A | -2.1545 | |
| 116 | T | A | -1.6941 | |
| 117 | S | A | 0.0000 | |
| 118 | E | A | -2.2140 | |
| 119 | K | A | -2.6273 | |
| 120 | W | A | 0.0000 | |
| 121 | Y | A | -1.7512 | |
| 122 | R | A | -2.2725 | |
| 123 | M | A | -0.8671 | |
| 124 | G | A | -1.0284 | |
| 125 | F | A | -1.0916 | |
| 126 | R | A | -1.4337 | |
| 127 | T | A | -1.2862 | |
| 128 | L | A | -1.4681 | |
| 129 | R | A | -2.9147 | |
| 130 | E | A | -2.6064 | |
| 131 | I | A | 0.0000 | |
| 132 | R | A | -3.5063 | |
| 133 | S | A | -2.4409 | |
| 134 | D | A | -2.6759 | |
| 135 | K | A | -2.7434 | |
| 136 | S | A | -1.5461 | |
| 137 | L | A | -1.7554 | |
| 138 | R | A | -2.6581 | |
| 139 | F | A | -1.7889 | |
| 140 | T | A | -1.6089 | |
| 141 | K | A | -2.5403 | |
| 142 | M | A | -1.4544 | |
| 143 | Q | A | 0.0000 | |
| 144 | E | A | -3.2006 | |
| 145 | A | A | 0.0000 | |
| 146 | G | A | 0.0000 | |
| 147 | F | A | 0.0000 | |
| 148 | R | A | -2.4495 | |
| 149 | Y | A | -1.3662 | |
| 150 | Y | A | -1.1244 | |
| 151 | D | A | -1.6846 | |
| 152 | D | A | -0.9059 | |
| 153 | I | A | 0.0000 | |
| 154 | I | A | 0.4764 | |
| 155 | A | A | 0.2647 | |
| 156 | C | A | 0.3361 | |
| 157 | V | A | 0.0000 | |
| 158 | S | A | -0.9343 | |
| 159 | K | A | -2.0808 | |
| 160 | A | A | -1.1341 | |
| 161 | E | A | -0.5591 | |
| 162 | A | A | 0.0000 | |
| 163 | D | A | -1.2132 | |
| 164 | A | A | -0.3298 | |
| 165 | V | A | 0.0000 | |
| 166 | S | A | 0.0000 | |
| 167 | L | A | 0.7082 | |
| 168 | L | A | 0.1336 | |
| 169 | V | A | 0.0000 | |
| 170 | K | A | -0.3614 | |
| 171 | E | A | -1.2647 | |
| 172 | A | A | 0.0000 | |
| 173 | V | A | 0.0000 | |
| 174 | W | A | -0.2239 | |
| 175 | T | A | -0.3702 | |
| 176 | F | A | -0.1970 | |
| 177 | L | A | 0.0000 | |
| 178 | P | A | -0.6951 | |
| 179 | D | A | -1.1509 | |
| 180 | A | A | 0.0000 | |
| 181 | L | A | 0.5284 | |
| 182 | V | A | 0.3350 | |
| 183 | T | A | 0.1176 | |
| 184 | T | A | -0.3643 | |
| 185 | T | A | 0.0000 | |
| 186 | G | A | -0.9874 | |
| 187 | H | A | -1.4805 | |
| 188 | F | A | 0.0000 | |
| 189 | R | A | -1.2854 | |
| 190 | R | A | 0.0000 | |
| 191 | R | A | -2.6773 | |
| 192 | K | A | -2.4404 | |
| 193 | E | A | -2.4341 | |
| 194 | F | A | -0.7565 | |
| 195 | G | A | -0.4585 | |
| 196 | H | A | -0.1435 | |
| 197 | D | A | -0.4061 | |
| 198 | V | A | 0.0000 | |
| 199 | D | A | -0.4722 | |
| 200 | F | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | I | A | 0.0000 | |
| 203 | T | A | 0.0000 | |
| 204 | S | A | 0.0000 | |
| 205 | P | A | -0.8760 | |
| 206 | G | A | -1.4918 | |
| 207 | A | A | -2.5117 | |
| 208 | E | A | -3.9424 | |
| 209 | K | A | -4.4126 | |
| 210 | E | A | -4.4395 | |
| 211 | Q | A | -3.8240 | |
| 212 | E | A | -3.3578 | |
| 213 | D | A | -4.3846 | |
| 214 | Q | A | -3.2323 | |
| 215 | L | A | 0.0000 | |
| 216 | L | A | 0.0000 | |
| 217 | Q | A | -2.4011 | |
| 218 | R | A | -2.7041 | |
| 219 | V | A | 0.0000 | |
| 220 | T | A | 0.0000 | |
| 221 | N | A | -2.5531 | |
| 222 | L | A | -1.9893 | |
| 223 | W | A | 0.0000 | |
| 224 | E | A | -3.1898 | |
| 225 | K | A | -3.2108 | |
| 226 | Q | A | -2.6237 | |
| 227 | G | A | -1.8627 | |
| 228 | L | A | -0.8745 | |
| 229 | L | A | -0.8302 | |
| 230 | L | A | -0.1811 | |
| 231 | Y | A | 0.0000 | |
| 232 | C | A | -0.4779 | |
| 233 | D | A | -0.6686 | |
| 234 | L | A | -0.2181 | |
| 235 | I | A | -0.1644 | |
| 236 | E | A | -1.8611 | |
| 237 | S | A | -1.3675 | |
| 238 | T | A | -0.8735 | |
| 239 | F | A | -1.4420 | |
| 240 | E | A | -2.4950 | |
| 241 | D | A | -2.1955 | |
| 242 | L | A | -0.2689 | |
| 243 | K | A | -1.4078 | |
| 244 | L | A | -0.3807 | |
| 245 | P | A | 0.0000 | |
| 246 | S | A | -1.3515 | |
| 247 | R | A | -2.6180 | |
| 248 | K | A | -2.3595 | |
| 249 | V | A | -1.1256 | |
| 250 | D | A | -1.0071 | |
| 251 | A | A | -0.3664 | |
| 252 | L | A | 1.0833 | |
| 253 | D | A | 0.3852 | |
| 254 | H | A | -0.3969 | |
| 255 | F | A | 0.0000 | |
| 256 | Q | A | 0.0000 | |
| 257 | K | A | 0.0000 | |
| 258 | C | A | 0.0000 | |
| 259 | F | A | 0.2336 | |
| 260 | L | A | 0.0000 | |
| 261 | I | A | 0.0000 | |
| 262 | L | A | 0.0000 | |
| 263 | K | A | 0.0074 | |
| 264 | L | A | 0.1416 | |
| 265 | Y | A | -0.2450 | |
| 266 | H | A | -1.7649 | |
| 267 | R | A | -2.8705 | |
| 268 | R | A | -3.0540 | |
| 269 | G | A | -2.1950 | |
| 270 | D | A | -1.6978 | |
| 271 | M | A | -1.3733 | |
| 272 | S | A | -1.3298 | |
| 273 | K | A | -1.7774 | |
| 274 | W | A | -0.6553 | |
| 275 | E | A | -1.4228 | |
| 276 | M | A | -0.0219 | |
| 277 | P | A | -0.2545 | |
| 278 | A | A | -0.4592 | |
| 279 | G | A | -0.5442 | |
| 280 | S | A | -0.2131 | |
| 281 | N | A | -0.4199 | |
| 282 | V | A | 1.2686 | |
| 283 | L | A | 0.9197 | |
| 284 | E | A | -1.3290 | |
| 285 | A | A | -1.1797 | |
| 286 | K | A | -2.4252 | |
| 287 | N | A | -2.5242 | |
| 288 | W | A | -0.8887 | |
| 289 | K | A | -0.7963 | |
| 290 | A | A | 0.0000 | |
| 291 | I | A | 0.0000 | |
| 292 | R | A | -0.3639 | |
| 293 | V | A | 0.0000 | |
| 294 | D | A | -0.3480 | |
| 295 | L | A | 0.0000 | |
| 296 | V | A | 0.0000 | |
| 297 | V | A | 0.0000 | |
| 298 | C | A | 0.0000 | |
| 299 | P | A | -1.1992 | |
| 300 | Y | A | -0.4507 | |
| 301 | D | A | -2.2413 | |
| 302 | R | A | -1.6005 | |
| 303 | Y | A | -0.5611 | |
| 304 | A | A | 0.0000 | |
| 305 | Y | A | 0.0000 | |
| 306 | A | A | 0.0000 | |
| 307 | L | A | 0.0000 | |
| 308 | L | A | 0.0000 | |
| 309 | G | A | -0.3604 | |
| 310 | W | A | -0.2821 | |
| 311 | S | A | 0.0000 | |
| 312 | G | A | -0.7957 | |
| 313 | S | A | -0.9926 | |
| 314 | R | A | -1.9237 | |
| 315 | Q | A | 0.0000 | |
| 316 | F | A | 0.0000 | |
| 317 | E | A | 0.0000 | |
| 318 | R | A | -1.0434 | |
| 319 | D | A | 0.0000 | |
| 320 | L | A | 0.0000 | |
| 321 | R | A | -1.1089 | |
| 322 | R | A | -1.6807 | |
| 323 | Y | A | 0.0000 | |
| 324 | A | A | 0.0000 | |
| 325 | T | A | -2.1475 | |
| 326 | H | A | -2.2396 | |
| 327 | E | A | -2.6531 | |
| 328 | K | A | -2.5597 | |
| 329 | K | A | -3.1190 | |
| 330 | M | A | 0.0000 | |
| 331 | M | A | 0.0000 | |
| 332 | L | A | 0.0000 | |
| 333 | D | A | 0.0000 | |
| 334 | N | A | -0.0393 | |
| 335 | H | A | 0.0000 | |
| 336 | A | A | 0.0000 | |
| 337 | L | A | 0.0000 | |
| 338 | Y | A | 0.0000 | |
| 339 | D | A | 0.0000 | |
| 340 | K | A | -2.6119 | |
| 341 | T | A | -2.2928 | |
| 342 | K | A | -2.6735 | |
| 343 | R | A | -2.4022 | |
| 344 | I | A | -0.2806 | |
| 345 | F | A | 0.2923 | |
| 346 | L | A | -0.6572 | |
| 347 | E | A | -2.3354 | |
| 348 | A | A | 0.0000 | |
| 349 | K | A | -2.8224 | |
| 350 | S | A | -2.0346 | |
| 351 | E | A | 0.0000 | |
| 352 | E | A | -3.0191 | |
| 353 | E | A | -2.9326 | |
| 354 | I | A | 0.0000 | |
| 355 | F | A | 0.0000 | |
| 356 | E | A | -3.1298 | |
| 357 | H | A | -2.0058 | |
| 358 | L | A | 0.0000 | |
| 359 | G | A | -1.8621 | |
| 360 | L | A | -1.9092 | |
| 361 | E | A | -2.5566 | |
| 362 | Y | A | -1.9704 | |
| 363 | I | A | 0.0000 | |
| 364 | E | A | -1.3485 | |
| 365 | P | A | -0.8665 | |
| 366 | W | A | -0.8181 | |
| 367 | E | A | 0.0000 | |
| 368 | R | A | 0.0000 | |
| 369 | N | A | 0.0000 | |
| 370 | A | A | -0.4053 |
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