| Chain sequence(s) |
A: MTAISTAPAQDLVFLSEVFPLLIARPNLAGYEVIPEIDQETGNRLSFHLSQKLEAATVIWHERRLWLLTPSQRPRPTLSQCQAALSITQQDLPDLSDQSLRLQEDNAAIATSTVLSKLAFQILRIRRPFRPILVTAIAGLTVNRKVKFWAETIELQGQARPALALAVQTEIAFAGSLADFYASNPGSPEDVLIGLPVQDFDLGGSGSIVRLVGTLREHRDRLLKLAAGGATRQAIQTAPDDQFVVAIQFGKGKKLFHYPLSALRPSITAETAGQFGFDYGQFLRFTKIPHTERQRLLRTFKAQAMDVLLRYGFEIERSLNSLEHPDLFWQPAVPLDQTPLLFGQGVTGVRGRILHGLSTGGVYNRHPNFHPGIIRIAALKLCDGSVNAFLEAVQQRLRRYGFESEIIDRKALSVADLSAAEARAALEKAVNKLITVPVDIVLTFLPQGDREADGDDGGSLYHLVYSLLLRRNIASQVIYDDTLTGVEHGQILNQVVPGVLAKLGNLPFILAEPLEIADYFIGLDISRSPKVRLAGTLNACASIRLYGKQGEFIRYVLEDALLEGEEIPQRLLERLLPATLEGKTVLIYRDGRFCGQEIPHLLERARAIQARFILVECRKSGIPRLYNLNQRTLVAPLQGLALRLSSREAVLVTTQVSERVGLARPLRLTVHEAGEPAPIEQVVETTLKLTLLHHGALKAPRLPMPIYGADRVAGLRLQGIYPSSLLEGDRQFWL
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| 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] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:06)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ee3d35a4ab1c2dd/tmp/folded.pdb (00:11:06)
[INFO] Main: Simulation completed successfully. (00:17:04)
|
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 | 1.2881 | |
| 2 | T | A | 0.9765 | |
| 3 | A | A | 1.2130 | |
| 4 | I | A | 2.0395 | |
| 5 | S | A | 0.7297 | |
| 6 | T | A | 0.3587 | |
| 7 | A | A | -0.0654 | |
| 8 | P | A | -0.8050 | |
| 9 | A | A | -1.0878 | |
| 10 | Q | A | -2.3067 | |
| 11 | D | A | -2.1590 | |
| 12 | L | A | -1.0207 | |
| 13 | V | A | 0.0000 | |
| 14 | F | A | 0.4643 | |
| 15 | L | A | 0.3782 | |
| 16 | S | A | 0.0000 | |
| 17 | E | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | F | A | 0.0000 | |
| 20 | P | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | L | A | 0.2815 | |
| 23 | I | A | -0.0881 | |
| 24 | A | A | -0.7626 | |
| 25 | R | A | -1.8273 | |
| 26 | P | A | -0.9929 | |
| 27 | N | A | -1.4879 | |
| 28 | L | A | -0.2362 | |
| 29 | A | A | 0.0000 | |
| 30 | G | A | 0.0000 | |
| 31 | Y | A | 0.0000 | |
| 32 | E | A | -2.3264 | |
| 33 | V | A | 0.0000 | |
| 34 | I | A | -0.9115 | |
| 35 | P | A | -1.0279 | |
| 36 | E | A | -2.7159 | |
| 37 | I | A | -2.5202 | |
| 38 | D | A | -3.5603 | |
| 39 | Q | A | -3.7883 | |
| 40 | E | A | -3.2371 | |
| 41 | T | A | -2.3278 | |
| 42 | G | A | 0.0000 | |
| 43 | N | A | -1.9113 | |
| 44 | R | A | -1.1711 | |
| 45 | L | A | 0.0000 | |
| 46 | S | A | 0.0000 | |
| 47 | F | A | 0.2900 | |
| 48 | H | A | -0.7951 | |
| 49 | L | A | 0.0000 | |
| 50 | S | A | 0.0000 | |
| 51 | Q | A | -2.0487 | |
| 52 | K | A | -2.3318 | |
| 53 | L | A | 0.0000 | |
| 54 | E | A | -2.4818 | |
| 55 | A | A | -1.6536 | |
| 56 | A | A | 0.0000 | |
| 57 | T | A | 0.0000 | |
| 58 | V | A | 0.0000 | |
| 59 | I | A | 0.0000 | |
| 60 | W | A | 0.0000 | |
| 61 | H | A | -1.8641 | |
| 62 | E | A | -2.5567 | |
| 63 | R | A | -3.6533 | |
| 64 | R | A | -2.5283 | |
| 65 | L | A | 0.0000 | |
| 66 | W | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | T | A | 0.0000 | |
| 70 | P | A | 0.0000 | |
| 71 | S | A | -2.0578 | |
| 72 | Q | A | -2.5588 | |
| 73 | R | A | -2.7535 | |
| 74 | P | A | -1.8460 | |
| 75 | R | A | -1.8249 | |
| 76 | P | A | -1.3364 | |
| 77 | T | A | -0.7167 | |
| 78 | L | A | -0.4969 | |
| 79 | S | A | -0.6745 | |
| 80 | Q | A | -1.3829 | |
| 81 | C | A | 0.0000 | |
| 82 | Q | A | -0.9491 | |
| 83 | A | A | -0.5933 | |
| 84 | A | A | 0.0000 | |
| 85 | L | A | 0.0000 | |
| 86 | S | A | -0.5919 | |
| 87 | I | A | -0.0574 | |
| 88 | T | A | 0.0000 | |
| 89 | Q | A | 0.0000 | |
| 90 | Q | A | -2.2611 | |
| 91 | D | A | -2.4496 | |
| 92 | L | A | 0.0000 | |
| 93 | P | A | -2.2568 | |
| 94 | D | A | -2.7461 | |
| 95 | L | A | 0.0000 | |
| 96 | S | A | -2.3863 | |
| 97 | D | A | -2.6748 | |
| 98 | Q | A | -1.8442 | |
| 99 | S | A | -1.1603 | |
| 100 | L | A | 0.0000 | |
| 101 | R | A | -2.0235 | |
| 102 | L | A | 0.0000 | |
| 103 | Q | A | -1.8572 | |
| 104 | E | A | -1.6461 | |
| 105 | D | A | -1.4049 | |
| 106 | N | A | -1.3619 | |
| 107 | A | A | -0.2273 | |
| 108 | A | A | 0.3339 | |
| 109 | I | A | 1.8207 | |
| 110 | A | A | 0.8798 | |
| 111 | T | A | 0.2379 | |
| 112 | S | A | -0.1371 | |
| 113 | T | A | -0.3489 | |
| 114 | V | A | 0.0000 | |
| 115 | L | A | 0.1431 | |
| 116 | S | A | 0.0000 | |
| 117 | K | A | -0.3004 | |
| 118 | L | A | 0.0000 | |
| 119 | A | A | 0.0000 | |
| 120 | F | A | 0.2783 | |
| 121 | Q | A | -0.3992 | |
| 122 | I | A | 0.0000 | |
| 123 | L | A | 0.0000 | |
| 124 | R | A | -1.3827 | |
| 125 | I | A | -1.0137 | |
| 126 | R | A | -1.8540 | |
| 127 | R | A | -2.5002 | |
| 128 | P | A | -1.9431 | |
| 129 | F | A | -1.7052 | |
| 130 | R | A | -1.8886 | |
| 131 | P | A | -0.4220 | |
| 132 | I | A | 0.9216 | |
| 133 | L | A | 1.7645 | |
| 134 | V | A | 1.6369 | |
| 135 | T | A | 1.1579 | |
| 136 | A | A | 0.8779 | |
| 137 | I | A | 0.8865 | |
| 138 | A | A | 0.3557 | |
| 139 | G | A | 0.0320 | |
| 140 | L | A | 0.0000 | |
| 141 | T | A | 0.6416 | |
| 142 | V | A | 0.0000 | |
| 143 | N | A | 0.4036 | |
| 144 | R | A | 0.0000 | |
| 145 | K | A | -1.1697 | |
| 146 | V | A | -0.9734 | |
| 147 | K | A | -1.0143 | |
| 148 | F | A | -0.1818 | |
| 149 | W | A | 0.0095 | |
| 150 | A | A | 0.1560 | |
| 151 | E | A | 0.0000 | |
| 152 | T | A | -0.2322 | |
| 153 | I | A | 0.0000 | |
| 154 | E | A | -1.4523 | |
| 155 | L | A | 0.0000 | |
| 156 | Q | A | -2.1239 | |
| 157 | G | A | -1.7636 | |
| 158 | Q | A | -1.9663 | |
| 159 | A | A | -1.1367 | |
| 160 | R | A | -0.7533 | |
| 161 | P | A | 0.0000 | |
| 162 | A | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | A | A | 0.0000 | |
| 167 | V | A | 0.0000 | |
| 168 | Q | A | -1.2922 | |
| 169 | T | A | -0.4028 | |
| 170 | E | A | -0.2041 | |
| 171 | I | A | 0.3393 | |
| 172 | A | A | 0.0000 | |
| 173 | F | A | -0.0202 | |
| 174 | A | A | -0.1194 | |
| 175 | G | A | -0.6827 | |
| 176 | S | A | -0.6254 | |
| 177 | L | A | 0.0000 | |
| 178 | A | A | -0.8445 | |
| 179 | D | A | -1.8512 | |
| 180 | F | A | 0.0000 | |
| 181 | Y | A | -0.6146 | |
| 182 | A | A | -0.7890 | |
| 183 | S | A | -0.8942 | |
| 184 | N | A | -1.0372 | |
| 185 | P | A | -0.6503 | |
| 186 | G | A | -1.2798 | |
| 187 | S | A | -1.5683 | |
| 188 | P | A | -1.5555 | |
| 189 | E | A | -2.8041 | |
| 190 | D | A | -2.5709 | |
| 191 | V | A | -1.4732 | |
| 192 | L | A | 0.0000 | |
| 193 | I | A | -0.8082 | |
| 194 | G | A | -0.7221 | |
| 195 | L | A | 0.0000 | |
| 196 | P | A | -0.2006 | |
| 197 | V | A | 0.0000 | |
| 198 | Q | A | -0.2551 | |
| 199 | D | A | 0.0000 | |
| 200 | F | A | 0.6447 | |
| 201 | D | A | 0.2509 | |
| 202 | L | A | 0.6199 | |
| 203 | G | A | 0.1034 | |
| 204 | G | A | -0.0474 | |
| 205 | S | A | -0.4539 | |
| 206 | G | A | -0.4478 | |
| 207 | S | A | -0.3486 | |
| 208 | I | A | 0.0000 | |
| 209 | V | A | -0.3120 | |
| 210 | R | A | -1.6274 | |
| 211 | L | A | -0.5825 | |
| 212 | V | A | -0.1333 | |
| 213 | G | A | -0.8784 | |
| 214 | T | A | -1.6980 | |
| 215 | L | A | 0.0000 | |
| 216 | R | A | -3.7462 | |
| 217 | E | A | -3.4914 | |
| 218 | H | A | -2.4973 | |
| 219 | R | A | -3.0269 | |
| 220 | D | A | -3.2912 | |
| 221 | R | A | -2.3399 | |
| 222 | L | A | 0.0000 | |
| 223 | L | A | -1.8202 | |
| 224 | K | A | -1.8403 | |
| 225 | L | A | 0.1263 | |
| 226 | A | A | -0.6434 | |
| 227 | A | A | -0.3401 | |
| 228 | G | A | -0.3794 | |
| 229 | G | A | -1.2012 | |
| 230 | A | A | -0.9071 | |
| 231 | T | A | 0.0000 | |
| 232 | R | A | -2.3598 | |
| 233 | Q | A | -2.3653 | |
| 234 | A | A | 0.0000 | |
| 235 | I | A | 0.0000 | |
| 236 | Q | A | -2.2869 | |
| 237 | T | A | -1.2618 | |
| 238 | A | A | 0.0000 | |
| 239 | P | A | -1.4713 | |
| 240 | D | A | -2.6113 | |
| 241 | D | A | -2.6724 | |
| 242 | Q | A | -1.2356 | |
| 243 | F | A | -0.3551 | |
| 244 | V | A | 0.0000 | |
| 245 | V | A | 0.0000 | |
| 246 | A | A | 0.0000 | |
| 247 | I | A | 0.0000 | |
| 248 | Q | A | -1.1746 | |
| 249 | F | A | -0.9094 | |
| 250 | G | A | -1.7718 | |
| 251 | K | A | -2.7553 | |
| 252 | G | A | -2.5565 | |
| 253 | K | A | -2.9015 | |
| 254 | K | A | -2.4400 | |
| 255 | L | A | -0.5537 | |
| 256 | F | A | 0.7968 | |
| 257 | H | A | 0.3751 | |
| 258 | Y | A | 0.4347 | |
| 259 | P | A | 0.0000 | |
| 260 | L | A | 0.0000 | |
| 261 | S | A | -0.4170 | |
| 262 | A | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | R | A | -0.4670 | |
| 265 | P | A | 0.0000 | |
| 266 | S | A | -0.1628 | |
| 267 | I | A | 0.0000 | |
| 268 | T | A | -0.6806 | |
| 269 | A | A | -1.0298 | |
| 270 | E | A | -2.0995 | |
| 271 | T | A | -1.5929 | |
| 272 | A | A | 0.0000 | |
| 273 | G | A | -1.8992 | |
| 274 | Q | A | -2.0088 | |
| 275 | F | A | 0.0000 | |
| 276 | G | A | -1.2324 | |
| 277 | F | A | -1.4126 | |
| 278 | D | A | -2.2557 | |
| 279 | Y | A | -1.4428 | |
| 280 | G | A | -1.4410 | |
| 281 | Q | A | -1.9121 | |
| 282 | F | A | 0.0000 | |
| 283 | L | A | -0.4068 | |
| 284 | R | A | -1.8408 | |
| 285 | F | A | -0.6257 | |
| 286 | T | A | -0.4558 | |
| 287 | K | A | -1.4528 | |
| 288 | I | A | 0.0000 | |
| 289 | P | A | -1.1359 | |
| 290 | H | A | -1.1322 | |
| 291 | T | A | -1.1501 | |
| 292 | E | A | -1.3648 | |
| 293 | R | A | -1.6723 | |
| 294 | Q | A | -2.0673 | |
| 295 | R | A | -2.8705 | |
| 296 | L | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | R | A | -2.7541 | |
| 299 | T | A | -1.8130 | |
| 300 | F | A | 0.0000 | |
| 301 | K | A | -1.7164 | |
| 302 | A | A | -1.2413 | |
| 303 | Q | A | -1.8145 | |
| 304 | A | A | 0.0000 | |
| 305 | M | A | -1.0952 | |
| 306 | D | A | -1.9773 | |
| 307 | V | A | 0.0000 | |
| 308 | L | A | 0.0000 | |
| 309 | L | A | -0.1030 | |
| 310 | R | A | -1.8951 | |
| 311 | Y | A | 0.0000 | |
| 312 | G | A | -0.8859 | |
| 313 | F | A | 0.0000 | |
| 314 | E | A | -1.3016 | |
| 315 | I | A | 0.0000 | |
| 316 | E | A | -1.5131 | |
| 317 | R | A | -2.4247 | |
| 318 | S | A | -1.2213 | |
| 319 | L | A | 0.0000 | |
| 320 | N | A | 0.0000 | |
| 321 | S | A | -0.3484 | |
| 322 | L | A | 0.2251 | |
| 323 | E | A | -1.6932 | |
| 324 | H | A | -1.4082 | |
| 325 | P | A | -1.1373 | |
| 326 | D | A | -2.1248 | |
| 327 | L | A | 0.0000 | |
| 328 | F | A | -0.3593 | |
| 329 | W | A | -0.5859 | |
| 330 | Q | A | -0.3925 | |
| 331 | P | A | -0.3028 | |
| 332 | A | A | 0.1479 | |
| 333 | V | A | 0.0156 | |
| 334 | P | A | -0.8002 | |
| 335 | L | A | -1.0285 | |
| 336 | D | A | -2.3429 | |
| 337 | Q | A | -1.8573 | |
| 338 | T | A | 0.0000 | |
| 339 | P | A | -0.7857 | |
| 340 | L | A | 0.0000 | |
| 341 | L | A | -0.0239 | |
| 342 | F | A | 0.0000 | |
| 343 | G | A | 0.0000 | |
| 344 | Q | A | -1.3148 | |
| 345 | G | A | -0.7364 | |
| 346 | V | A | -0.1175 | |
| 347 | T | A | 0.0534 | |
| 348 | G | A | -0.4493 | |
| 349 | V | A | -0.9220 | |
| 350 | R | A | 0.0000 | |
| 351 | G | A | -2.1192 | |
| 352 | R | A | -2.4119 | |
| 353 | I | A | 0.0000 | |
| 354 | L | A | -0.8476 | |
| 355 | H | A | -1.4488 | |
| 356 | G | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | S | A | -1.0536 | |
| 359 | T | A | -0.7124 | |
| 360 | G | A | 0.0000 | |
| 361 | G | A | -1.0774 | |
| 362 | V | A | 0.0000 | |
| 363 | Y | A | -0.5574 | |
| 364 | N | A | -1.4580 | |
| 365 | R | A | -1.9348 | |
| 366 | H | A | -1.7533 | |
| 367 | P | A | -1.6745 | |
| 368 | N | A | -1.8494 | |
| 369 | F | A | 0.0000 | |
| 370 | H | A | -1.7359 | |
| 371 | P | A | -1.2534 | |
| 372 | G | A | -0.7484 | |
| 373 | I | A | -0.2753 | |
| 374 | I | A | 0.0000 | |
| 375 | R | A | -0.7174 | |
| 376 | I | A | 0.0000 | |
| 377 | A | A | 0.0000 | |
| 378 | A | A | 0.0000 | |
| 379 | L | A | 0.0000 | |
| 380 | K | A | -1.1221 | |
| 381 | L | A | 0.0000 | |
| 382 | C | A | 0.0000 | |
| 383 | D | A | -2.0025 | |
| 384 | G | A | -1.3876 | |
| 385 | S | A | -0.9745 | |
| 386 | V | A | 0.0000 | |
| 387 | N | A | -1.4941 | |
| 388 | A | A | -1.0123 | |
| 389 | F | A | 0.0000 | |
| 390 | L | A | 0.0000 | |
| 391 | E | A | -2.4803 | |
| 392 | A | A | -1.6954 | |
| 393 | V | A | 0.0000 | |
| 394 | Q | A | -2.4500 | |
| 395 | Q | A | -2.9493 | |
| 396 | R | A | -2.3934 | |
| 397 | L | A | 0.0000 | |
| 398 | R | A | -3.1171 | |
| 399 | R | A | -3.0972 | |
| 400 | Y | A | 0.0000 | |
| 401 | G | A | -1.8214 | |
| 402 | F | A | 0.0000 | |
| 403 | E | A | -2.1627 | |
| 404 | S | A | 0.0000 | |
| 405 | E | A | -1.3192 | |
| 406 | I | A | -0.7761 | |
| 407 | I | A | -0.3014 | |
| 408 | D | A | -1.2561 | |
| 409 | R | A | -2.0899 | |
| 410 | K | A | -1.6248 | |
| 411 | A | A | -0.8267 | |
| 412 | L | A | -0.1771 | |
| 413 | S | A | -0.5378 | |
| 414 | V | A | -0.4510 | |
| 415 | A | A | -0.7500 | |
| 416 | D | A | -1.6593 | |
| 417 | L | A | -0.7895 | |
| 418 | S | A | -0.8148 | |
| 419 | A | A | -1.1279 | |
| 420 | A | A | -0.8935 | |
| 421 | E | A | -1.9853 | |
| 422 | A | A | 0.0000 | |
| 423 | R | A | -1.2357 | |
| 424 | A | A | -1.4902 | |
| 425 | A | A | -1.3836 | |
| 426 | L | A | 0.0000 | |
| 427 | E | A | -2.3794 | |
| 428 | K | A | -2.8694 | |
| 429 | A | A | -1.9450 | |
| 430 | V | A | 0.0000 | |
| 431 | N | A | -2.2850 | |
| 432 | K | A | -2.6117 | |
| 433 | L | A | 0.0000 | |
| 434 | I | A | -0.5315 | |
| 435 | T | A | -0.5178 | |
| 436 | V | A | -0.0205 | |
| 437 | P | A | -0.0105 | |
| 438 | V | A | -0.1396 | |
| 439 | D | A | -0.3817 | |
| 440 | I | A | 0.0000 | |
| 441 | V | A | 0.0000 | |
| 442 | L | A | 0.0000 | |
| 443 | T | A | 0.0000 | |
| 444 | F | A | 0.0000 | |
| 445 | L | A | 0.0000 | |
| 446 | P | A | -1.5475 | |
| 447 | Q | A | -2.3739 | |
| 448 | G | A | -2.1128 | |
| 449 | D | A | 0.0000 | |
| 450 | R | A | -3.4804 | |
| 451 | E | A | -3.8906 | |
| 452 | A | A | -3.5218 | |
| 453 | D | A | -3.8051 | |
| 454 | G | A | -3.2667 | |
| 455 | D | A | -3.8144 | |
| 456 | D | A | -3.2059 | |
| 457 | G | A | -2.2072 | |
| 458 | G | A | -2.5912 | |
| 459 | S | A | 0.0000 | |
| 460 | L | A | 0.0000 | |
| 461 | Y | A | -0.3237 | |
| 462 | H | A | -0.4738 | |
| 463 | L | A | -0.0066 | |
| 464 | V | A | 0.0000 | |
| 465 | Y | A | 0.0000 | |
| 466 | S | A | 0.0000 | |
| 467 | L | A | 0.0000 | |
| 468 | L | A | 0.0000 | |
| 469 | L | A | 0.0000 | |
| 470 | R | A | -1.6479 | |
| 471 | R | A | -1.5310 | |
| 472 | N | A | -1.0376 | |
| 473 | I | A | -0.5269 | |
| 474 | A | A | 0.0000 | |
| 475 | S | A | 0.0000 | |
| 476 | Q | A | -0.0083 | |
| 477 | V | A | 0.2045 | |
| 478 | I | A | 0.0000 | |
| 479 | Y | A | -0.7894 | |
| 480 | D | A | -1.2878 | |
| 481 | D | A | -1.2003 | |
| 482 | T | A | -0.7327 | |
| 483 | L | A | 0.0000 | |
| 484 | T | A | -0.7408 | |
| 485 | G | A | -0.7715 | |
| 486 | V | A | -0.6705 | |
| 487 | E | A | -1.9632 | |
| 488 | H | A | -1.3656 | |
| 489 | G | A | -1.3028 | |
| 490 | Q | A | -1.7379 | |
| 491 | I | A | 0.0000 | |
| 492 | L | A | 0.0000 | |
| 493 | N | A | -0.8695 | |
| 494 | Q | A | -1.0247 | |
| 495 | V | A | 0.0000 | |
| 496 | V | A | 0.0000 | |
| 497 | P | A | 0.0000 | |
| 498 | G | A | 0.0000 | |
| 499 | V | A | 0.0000 | |
| 500 | L | A | 0.0000 | |
| 501 | A | A | 0.0000 | |
| 502 | K | A | 0.0000 | |
| 503 | L | A | 0.0000 | |
| 504 | G | A | -0.9381 | |
| 505 | N | A | 0.0000 | |
| 506 | L | A | 0.0000 | |
| 507 | P | A | 0.0000 | |
| 508 | F | A | 0.0000 | |
| 509 | I | A | 0.0000 | |
| 510 | L | A | 0.0000 | |
| 511 | A | A | -0.7987 | |
| 512 | E | A | -2.3119 | |
| 513 | P | A | -2.1338 | |
| 514 | L | A | 0.0000 | |
| 515 | E | A | -2.5663 | |
| 516 | I | A | 0.0000 | |
| 517 | A | A | 0.0000 | |
| 518 | D | A | -1.8783 | |
| 519 | Y | A | -0.6317 | |
| 520 | F | A | 0.0000 | |
| 521 | I | A | 0.0000 | |
| 522 | G | A | 0.0000 | |
| 523 | L | A | 0.0000 | |
| 524 | D | A | 0.0000 | |
| 525 | I | A | 0.0000 | |
| 526 | S | A | 0.0000 | |
| 527 | R | A | -2.0762 | |
| 528 | S | A | -0.8342 | |
| 529 | P | A | -0.6755 | |
| 530 | K | A | -0.1604 | |
| 531 | V | A | 0.9283 | |
| 532 | R | A | -0.5482 | |
| 533 | L | A | 0.8298 | |
| 534 | A | A | -0.2121 | |
| 535 | G | A | -0.9049 | |
| 536 | T | A | -0.9337 | |
| 537 | L | A | 0.2132 | |
| 538 | N | A | 0.0000 | |
| 539 | A | A | -0.7081 | |
| 540 | C | A | 0.0000 | |
| 541 | A | A | 0.0000 | |
| 542 | S | A | 0.0000 | |
| 543 | I | A | 0.0000 | |
| 544 | R | A | 0.0000 | |
| 545 | L | A | 0.0000 | |
| 546 | Y | A | 0.0000 | |
| 547 | G | A | 0.0000 | |
| 548 | K | A | -2.2278 | |
| 549 | Q | A | -1.6621 | |
| 550 | G | A | 0.0000 | |
| 551 | E | A | -0.5130 | |
| 552 | F | A | 0.0000 | |
| 553 | I | A | 0.2415 | |
| 554 | R | A | -0.7514 | |
| 555 | Y | A | 0.0000 | |
| 556 | V | A | 0.0000 | |
| 557 | L | A | 0.0000 | |
| 558 | E | A | -1.2486 | |
| 559 | D | A | -1.4528 | |
| 560 | A | A | -0.3553 | |
| 561 | L | A | 0.8005 | |
| 562 | L | A | 0.0000 | |
| 563 | E | A | -1.9811 | |
| 564 | G | A | -2.1585 | |
| 565 | E | A | -3.1015 | |
| 566 | E | A | -2.3891 | |
| 567 | I | A | 0.0000 | |
| 568 | P | A | -1.7900 | |
| 569 | Q | A | -2.3329 | |
| 570 | R | A | -2.8707 | |
| 571 | L | A | 0.0000 | |
| 572 | L | A | 0.0000 | |
| 573 | E | A | -2.9991 | |
| 574 | R | A | -2.9097 | |
| 575 | L | A | 0.0000 | |
| 576 | L | A | 0.0000 | |
| 577 | P | A | -1.1573 | |
| 578 | A | A | -1.1967 | |
| 579 | T | A | -0.7903 | |
| 580 | L | A | 0.0000 | |
| 581 | E | A | -2.9933 | |
| 582 | G | A | -2.6266 | |
| 583 | K | A | -2.1547 | |
| 584 | T | A | 0.0000 | |
| 585 | V | A | 0.0000 | |
| 586 | L | A | 0.0000 | |
| 587 | I | A | 0.0000 | |
| 588 | Y | A | 0.0000 | |
| 589 | R | A | 0.0000 | |
| 590 | D | A | -1.0046 | |
| 591 | G | A | -1.4407 | |
| 592 | R | A | -2.3402 | |
| 593 | F | A | 0.0000 | |
| 594 | C | A | -1.5875 | |
| 595 | G | A | -1.6863 | |
| 596 | Q | A | -1.6084 | |
| 597 | E | A | 0.0000 | |
| 598 | I | A | -0.6885 | |
| 599 | P | A | -1.0943 | |
| 600 | H | A | -1.8841 | |
| 601 | L | A | 0.0000 | |
| 602 | L | A | -1.5690 | |
| 603 | E | A | -2.7875 | |
| 604 | R | A | -2.4812 | |
| 605 | A | A | 0.0000 | |
| 606 | R | A | -3.4429 | |
| 607 | A | A | -2.0731 | |
| 608 | I | A | 0.0000 | |
| 609 | Q | A | -3.2590 | |
| 610 | A | A | 0.0000 | |
| 611 | R | A | -2.9539 | |
| 612 | F | A | 0.0000 | |
| 613 | I | A | 0.0000 | |
| 614 | L | A | 0.0000 | |
| 615 | V | A | 0.0000 | |
| 616 | E | A | 0.0000 | |
| 617 | C | A | 0.0000 | |
| 618 | R | A | -1.3563 | |
| 619 | K | A | -1.4736 | |
| 620 | S | A | -1.0817 | |
| 621 | G | A | -0.8137 | |
| 622 | I | A | 0.0000 | |
| 623 | P | A | 0.0000 | |
| 624 | R | A | -0.6446 | |
| 625 | L | A | 0.0000 | |
| 626 | Y | A | 0.0000 | |
| 627 | N | A | 0.0000 | |
| 628 | L | A | -1.0926 | |
| 629 | N | A | -2.3785 | |
| 630 | Q | A | -2.6066 | |
| 631 | R | A | -2.6860 | |
| 632 | T | A | -1.5512 | |
| 633 | L | A | 0.0000 | |
| 634 | V | A | -0.2554 | |
| 635 | A | A | -0.2203 | |
| 636 | P | A | 0.0000 | |
| 637 | L | A | 0.4126 | |
| 638 | Q | A | -0.3180 | |
| 639 | G | A | 0.0000 | |
| 640 | L | A | 0.0000 | |
| 641 | A | A | 0.0000 | |
| 642 | L | A | 0.0000 | |
| 643 | R | A | -0.9439 | |
| 644 | L | A | 0.0000 | |
| 645 | S | A | -1.1251 | |
| 646 | S | A | -1.0715 | |
| 647 | R | A | -1.8391 | |
| 648 | E | A | -1.1198 | |
| 649 | A | A | 0.0000 | |
| 650 | V | A | 0.0000 | |
| 651 | L | A | 0.0000 | |
| 652 | V | A | 0.0000 | |
| 653 | T | A | 0.0000 | |
| 654 | T | A | -1.0879 | |
| 655 | Q | A | -1.3180 | |
| 656 | V | A | -0.6616 | |
| 657 | S | A | -1.0704 | |
| 658 | E | A | -2.3397 | |
| 659 | R | A | -2.3334 | |
| 660 | V | A | -0.1580 | |
| 661 | G | A | -1.0382 | |
| 662 | L | A | -0.7641 | |
| 663 | A | A | 0.0000 | |
| 664 | R | A | -2.2030 | |
| 665 | P | A | 0.0000 | |
| 666 | L | A | 0.0000 | |
| 667 | R | A | -0.8453 | |
| 668 | L | A | 0.0000 | |
| 669 | T | A | 0.0000 | |
| 670 | V | A | 0.0000 | |
| 671 | H | A | -1.6127 | |
| 672 | E | A | -2.2320 | |
| 673 | A | A | -1.0343 | |
| 674 | G | A | -1.2097 | |
| 675 | E | A | -1.4165 | |
| 676 | P | A | -1.2620 | |
| 677 | A | A | -0.9176 | |
| 678 | P | A | -0.8290 | |
| 679 | I | A | 0.0000 | |
| 680 | E | A | -1.3142 | |
| 681 | Q | A | -1.2721 | |
| 682 | V | A | 0.0000 | |
| 683 | V | A | 0.0000 | |
| 684 | E | A | -1.1440 | |
| 685 | T | A | 0.0000 | |
| 686 | T | A | 0.0000 | |
| 687 | L | A | 0.0000 | |
| 688 | K | A | -0.4211 | |
| 689 | L | A | 0.0000 | |
| 690 | T | A | 0.0000 | |
| 691 | L | A | 0.0000 | |
| 692 | L | A | 0.0000 | |
| 693 | H | A | 0.0000 | |
| 694 | H | A | 0.0000 | |
| 695 | G | A | -0.3314 | |
| 696 | A | A | -0.6538 | |
| 697 | L | A | -0.9632 | |
| 698 | K | A | -1.8328 | |
| 699 | A | A | -1.0096 | |
| 700 | P | A | -0.5431 | |
| 701 | R | A | -1.0111 | |
| 702 | L | A | 0.0000 | |
| 703 | P | A | 0.0000 | |
| 704 | M | A | 0.0000 | |
| 705 | P | A | 0.0000 | |
| 706 | I | A | 0.0000 | |
| 707 | Y | A | -0.3057 | |
| 708 | G | A | 0.0000 | |
| 709 | A | A | 0.0000 | |
| 710 | D | A | -1.1528 | |
| 711 | R | A | -1.0703 | |
| 712 | V | A | 0.0000 | |
| 713 | A | A | 0.0000 | |
| 714 | G | A | -1.0558 | |
| 715 | L | A | 0.0000 | |
| 716 | R | A | -0.9011 | |
| 717 | L | A | -0.4659 | |
| 718 | Q | A | -1.1456 | |
| 719 | G | A | -0.7606 | |
| 720 | I | A | 0.0000 | |
| 721 | Y | A | -0.4826 | |
| 722 | P | A | 0.0000 | |
| 723 | S | A | -0.7709 | |
| 724 | S | A | -0.4017 | |
| 725 | L | A | 0.1547 | |
| 726 | L | A | -0.1890 | |
| 727 | E | A | -1.3322 | |
| 728 | G | A | -1.0238 | |
| 729 | D | A | -1.2453 | |
| 730 | R | A | -0.9393 | |
| 731 | Q | A | 0.0000 | |
| 732 | F | A | 0.0000 | |
| 733 | W | A | 0.0000 | |
| 734 | L | A | 0.0332 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.5867 | 3.0775 | View | CSV | PDB |
| 4.5 | -0.6437 | 3.0682 | View | CSV | PDB |
| 5.0 | -0.7153 | 3.0595 | View | CSV | PDB |
| 5.5 | -0.7913 | 3.0595 | View | CSV | PDB |
| 6.0 | -0.8611 | 3.0595 | View | CSV | PDB |
| 6.5 | -0.9158 | 3.0595 | View | CSV | PDB |
| 7.0 | -0.9519 | 3.0595 | View | CSV | PDB |
| 7.5 | -0.9734 | 3.0595 | View | CSV | PDB |
| 8.0 | -0.9858 | 3.0595 | View | CSV | PDB |
| 8.5 | -0.9908 | 3.0595 | View | CSV | PDB |
| 9.0 | -0.9876 | 3.0595 | View | CSV | PDB |
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