| Chain sequence(s) |
A: MGCSSPPCECHQEEDFRVTCKDIQRIPSLPPSTQTLKLIETCLRTIPSHAFSNLPNISRIYVSIDVTLQQLESHSFYNLSKVTHIEIRNTPNLTYIDPDALKELPLLKFLGIFNTGLKMFPPLTKVYSTEIFFILEITDNPYMTSIPRNAFQGLCNETLTLKLYNNGFTSVQGYAFNGTKLDAVYLNKNKYLTVIDKDAFGGVYSGPSLLDVSQTSVTALPSKGLEHLKELRARNTWTLKKLPLSLSFLHLTRADLSYPSHCCAFKNQKKIRGILESLMCNESSMQSLRQRKSVNALNSPLHQEYEENLGDSIVGYKEKSKFQDTHNNAHYYVFFEEQEDEIIGFGQELKNPQEETLQAFDSHYDYTICGDSEDMVCTPKSDEFNPCEDIMGYKFAIFTKAFQRDVFILLSKFGICKRQAQAYRGQRVPPKNSTDIQVQKVTHEMRQGLHNMEDVYELIENSHLTPKKQGQISEEYMQTVLPKPSTPPGSSGGGSPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK
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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:16:19)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/8cea941fafec55a/tmp/folded.pdb (00:16:19)
[INFO] Main: Simulation completed successfully. (00:27:56)
|
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 | 0.8734 | |
| 2 | G | A | 0.1093 | |
| 3 | C | A | -0.1526 | |
| 4 | S | A | -0.3335 | |
| 5 | S | A | -0.5924 | |
| 6 | P | A | -0.6057 | |
| 7 | P | A | -0.4829 | |
| 8 | C | A | -0.7111 | |
| 9 | E | A | -1.6897 | |
| 10 | C | A | -1.6105 | |
| 11 | H | A | -2.4469 | |
| 12 | Q | A | -3.1797 | |
| 13 | E | A | -3.8156 | |
| 14 | E | A | -3.4562 | |
| 15 | D | A | -2.8735 | |
| 16 | F | A | -0.9745 | |
| 17 | R | A | -2.3008 | |
| 18 | V | A | 0.0000 | |
| 19 | T | A | -1.5003 | |
| 20 | C | A | 0.0000 | |
| 21 | K | A | -2.2529 | |
| 22 | D | A | -2.4122 | |
| 23 | I | A | 0.0000 | |
| 24 | Q | A | -1.7855 | |
| 25 | R | A | -1.8289 | |
| 26 | I | A | -0.5058 | |
| 27 | P | A | -0.4854 | |
| 28 | S | A | -0.6017 | |
| 29 | L | A | 0.0000 | |
| 30 | P | A | -0.6467 | |
| 31 | P | A | -0.7662 | |
| 32 | S | A | -0.4207 | |
| 33 | T | A | 0.0000 | |
| 34 | Q | A | -0.9521 | |
| 35 | T | A | 0.0000 | |
| 36 | L | A | 0.0000 | |
| 37 | K | A | -0.8241 | |
| 38 | L | A | 0.0000 | |
| 39 | I | A | -0.8535 | |
| 40 | E | A | -1.6024 | |
| 41 | T | A | 0.0000 | |
| 42 | C | A | 0.0000 | |
| 43 | L | A | 0.0000 | |
| 44 | R | A | -2.0765 | |
| 45 | T | A | -1.4743 | |
| 46 | I | A | 0.0000 | |
| 47 | P | A | -0.8710 | |
| 48 | S | A | -0.7189 | |
| 49 | H | A | -1.2050 | |
| 50 | A | A | -0.8002 | |
| 51 | F | A | 0.0000 | |
| 52 | S | A | -1.3540 | |
| 53 | N | A | -1.7162 | |
| 54 | L | A | 0.0000 | |
| 55 | P | A | -1.2864 | |
| 56 | N | A | -1.1931 | |
| 57 | I | A | 0.0000 | |
| 58 | S | A | -0.9589 | |
| 59 | R | A | -0.9944 | |
| 60 | I | A | 0.0000 | |
| 61 | Y | A | -0.0589 | |
| 62 | V | A | 0.0000 | |
| 63 | S | A | 0.2209 | |
| 64 | I | A | 0.7549 | |
| 65 | D | A | 0.0000 | |
| 66 | V | A | 0.9574 | |
| 67 | T | A | -0.3337 | |
| 68 | L | A | 0.0000 | |
| 69 | Q | A | -1.6285 | |
| 70 | Q | A | -1.3474 | |
| 71 | L | A | 0.0000 | |
| 72 | E | A | -1.0083 | |
| 73 | S | A | -0.8574 | |
| 74 | H | A | -1.0358 | |
| 75 | S | A | 0.0000 | |
| 76 | F | A | 0.0000 | |
| 77 | Y | A | -1.0422 | |
| 78 | N | A | -1.9046 | |
| 79 | L | A | 0.0000 | |
| 80 | S | A | -1.2113 | |
| 81 | K | A | -1.5523 | |
| 82 | V | A | 0.0000 | |
| 83 | T | A | -0.5984 | |
| 84 | H | A | -0.4921 | |
| 85 | I | A | 0.0000 | |
| 86 | E | A | -0.2709 | |
| 87 | I | A | 0.0000 | |
| 88 | R | A | 0.0000 | |
| 89 | N | A | -0.1772 | |
| 90 | T | A | 0.0000 | |
| 91 | P | A | -0.3749 | |
| 92 | N | A | -1.2242 | |
| 93 | L | A | 0.0000 | |
| 94 | T | A | -0.6842 | |
| 95 | Y | A | -0.2812 | |
| 96 | I | A | 0.0000 | |
| 97 | D | A | -0.6351 | |
| 98 | P | A | -0.6297 | |
| 99 | D | A | -0.9330 | |
| 100 | A | A | 0.0000 | |
| 101 | L | A | 0.0000 | |
| 102 | K | A | -1.1473 | |
| 103 | E | A | -1.3986 | |
| 104 | L | A | 0.0000 | |
| 105 | P | A | -0.6469 | |
| 106 | L | A | 0.0224 | |
| 107 | L | A | 0.0000 | |
| 108 | K | A | 0.0128 | |
| 109 | F | A | 0.0972 | |
| 110 | L | A | 0.0000 | |
| 111 | G | A | 0.0000 | |
| 112 | I | A | 0.0000 | |
| 113 | F | A | 0.0000 | |
| 114 | N | A | -1.0147 | |
| 115 | T | A | 0.0000 | |
| 116 | G | A | 0.0000 | |
| 117 | L | A | 0.0000 | |
| 118 | K | A | -1.0510 | |
| 119 | M | A | -0.0811 | |
| 120 | F | A | 0.0000 | |
| 121 | P | A | 0.0000 | |
| 122 | P | A | -0.3126 | |
| 123 | L | A | 0.0000 | |
| 124 | T | A | -0.4996 | |
| 125 | K | A | -0.6751 | |
| 126 | V | A | 0.0000 | |
| 127 | Y | A | -0.1009 | |
| 128 | S | A | 0.0000 | |
| 129 | T | A | -0.2327 | |
| 130 | E | A | 0.0685 | |
| 131 | I | A | 1.1252 | |
| 132 | F | A | 1.8213 | |
| 133 | F | A | 0.0000 | |
| 134 | I | A | 0.5269 | |
| 135 | L | A | 0.0000 | |
| 136 | E | A | 0.0000 | |
| 137 | I | A | 0.0000 | |
| 138 | T | A | 0.0000 | |
| 139 | D | A | -1.0788 | |
| 140 | N | A | 0.0000 | |
| 141 | P | A | -0.2811 | |
| 142 | Y | A | 0.1299 | |
| 143 | M | A | 0.0000 | |
| 144 | T | A | 0.0372 | |
| 145 | S | A | -0.3879 | |
| 146 | I | A | 0.0000 | |
| 147 | P | A | -1.2327 | |
| 148 | R | A | -2.3116 | |
| 149 | N | A | -1.7596 | |
| 150 | A | A | 0.0000 | |
| 151 | F | A | 0.0000 | |
| 152 | Q | A | -1.2138 | |
| 153 | G | A | -0.6225 | |
| 154 | L | A | 0.0000 | |
| 155 | C | A | 0.0000 | |
| 156 | N | A | -1.6723 | |
| 157 | E | A | -0.9891 | |
| 158 | T | A | -0.1260 | |
| 159 | L | A | 0.0000 | |
| 160 | T | A | 0.1297 | |
| 161 | L | A | 0.0000 | |
| 162 | K | A | -0.3566 | |
| 163 | L | A | 0.0000 | |
| 164 | Y | A | -0.7668 | |
| 165 | N | A | -1.3301 | |
| 166 | N | A | 0.0000 | |
| 167 | G | A | 0.0000 | |
| 168 | F | A | 0.0000 | |
| 169 | T | A | 0.3239 | |
| 170 | S | A | 0.1141 | |
| 171 | V | A | 0.0000 | |
| 172 | Q | A | -1.7367 | |
| 173 | G | A | 0.0000 | |
| 174 | Y | A | -1.1361 | |
| 175 | A | A | 0.0000 | |
| 176 | F | A | 0.0000 | |
| 177 | N | A | -0.7502 | |
| 178 | G | A | -0.4877 | |
| 179 | T | A | 0.0000 | |
| 180 | K | A | -0.8939 | |
| 181 | L | A | 0.0000 | |
| 182 | D | A | -0.8526 | |
| 183 | A | A | 0.0000 | |
| 184 | V | A | 0.0000 | |
| 185 | Y | A | -0.0852 | |
| 186 | L | A | 0.0000 | |
| 187 | N | A | -1.3272 | |
| 188 | K | A | -1.6388 | |
| 189 | N | A | 0.0000 | |
| 190 | K | A | -1.5988 | |
| 191 | Y | A | 0.3048 | |
| 192 | L | A | 0.0000 | |
| 193 | T | A | 0.3447 | |
| 194 | V | A | 0.4496 | |
| 195 | I | A | 0.0000 | |
| 196 | D | A | -1.7163 | |
| 197 | K | A | -2.6298 | |
| 198 | D | A | -2.0687 | |
| 199 | A | A | 0.0000 | |
| 200 | F | A | 0.0000 | |
| 201 | G | A | -0.7599 | |
| 202 | G | A | -0.2592 | |
| 203 | V | A | 0.3435 | |
| 204 | Y | A | 0.9107 | |
| 205 | S | A | -0.2365 | |
| 206 | G | A | -0.8618 | |
| 207 | P | A | 0.0000 | |
| 208 | S | A | -1.3590 | |
| 209 | L | A | -0.8127 | |
| 210 | L | A | 0.0000 | |
| 211 | D | A | 0.0000 | |
| 212 | V | A | 0.0000 | |
| 213 | S | A | 0.0000 | |
| 214 | Q | A | -1.9403 | |
| 215 | T | A | 0.0000 | |
| 216 | S | A | -0.2599 | |
| 217 | V | A | 0.0000 | |
| 218 | T | A | -0.4406 | |
| 219 | A | A | -0.9333 | |
| 220 | L | A | 0.0000 | |
| 221 | P | A | 0.0000 | |
| 222 | S | A | -1.0848 | |
| 223 | K | A | -2.0809 | |
| 224 | G | A | -1.2769 | |
| 225 | L | A | 0.0000 | |
| 226 | E | A | -1.3173 | |
| 227 | H | A | -1.8222 | |
| 228 | L | A | 0.0000 | |
| 229 | K | A | -2.2801 | |
| 230 | E | A | -1.3933 | |
| 231 | L | A | 0.0000 | |
| 232 | R | A | -1.0288 | |
| 233 | A | A | 0.0000 | |
| 234 | R | A | -1.7168 | |
| 235 | N | A | -1.7755 | |
| 236 | T | A | 0.0000 | |
| 237 | W | A | 0.0981 | |
| 238 | T | A | -0.5164 | |
| 239 | L | A | 0.0000 | |
| 240 | K | A | -2.2891 | |
| 241 | K | A | -2.3541 | |
| 242 | L | A | 0.0000 | |
| 243 | P | A | 0.3669 | |
| 244 | L | A | 1.7911 | |
| 245 | S | A | 1.6267 | |
| 246 | L | A | 1.9427 | |
| 247 | S | A | 0.0000 | |
| 248 | F | A | 0.0000 | |
| 249 | L | A | -0.0891 | |
| 250 | H | A | -1.6254 | |
| 251 | L | A | 0.0000 | |
| 252 | T | A | -1.5185 | |
| 253 | R | A | -1.2418 | |
| 254 | A | A | 0.0000 | |
| 255 | D | A | -0.8812 | |
| 256 | L | A | 0.0000 | |
| 257 | S | A | -0.9345 | |
| 258 | Y | A | 0.0000 | |
| 259 | P | A | -0.7766 | |
| 260 | S | A | -0.9470 | |
| 261 | H | A | 0.0000 | |
| 262 | C | A | 0.0000 | |
| 263 | C | A | 0.0000 | |
| 264 | A | A | -0.1215 | |
| 265 | F | A | 0.0000 | |
| 266 | K | A | -1.7503 | |
| 267 | N | A | -1.6373 | |
| 268 | Q | A | -1.0079 | |
| 269 | K | A | -2.4832 | |
| 270 | K | A | -1.4080 | |
| 271 | I | A | 0.9228 | |
| 272 | R | A | -0.0493 | |
| 273 | G | A | -0.0196 | |
| 274 | I | A | 1.9588 | |
| 275 | L | A | 1.7078 | |
| 276 | E | A | 0.6613 | |
| 277 | S | A | 1.0145 | |
| 278 | L | A | 1.7665 | |
| 279 | M | A | 1.5108 | |
| 280 | C | A | 0.6602 | |
| 281 | N | A | -0.8841 | |
| 282 | E | A | -1.6605 | |
| 283 | S | A | -1.2967 | |
| 284 | S | A | -1.1401 | |
| 285 | M | A | -1.4447 | |
| 286 | Q | A | -2.7633 | |
| 287 | S | A | -2.2860 | |
| 288 | L | A | -1.8510 | |
| 289 | R | A | -3.4110 | |
| 290 | Q | A | -3.3918 | |
| 291 | R | A | -3.5472 | |
| 292 | K | A | -3.3735 | |
| 293 | S | A | -1.7207 | |
| 294 | V | A | -0.4999 | |
| 295 | N | A | -1.5584 | |
| 296 | A | A | -0.3045 | |
| 297 | L | A | 0.7277 | |
| 298 | N | A | -0.5411 | |
| 299 | S | A | -0.5133 | |
| 300 | P | A | -0.1553 | |
| 301 | L | A | 0.5022 | |
| 302 | H | A | -1.3179 | |
| 303 | Q | A | -2.0442 | |
| 304 | E | A | -2.3387 | |
| 305 | Y | A | -1.1067 | |
| 306 | E | A | -2.6856 | |
| 307 | E | A | -2.8040 | |
| 308 | N | A | -1.9224 | |
| 309 | L | A | -0.0843 | |
| 310 | G | A | -0.7783 | |
| 311 | D | A | -1.3741 | |
| 312 | S | A | 0.1549 | |
| 313 | I | A | 2.2997 | |
| 314 | V | A | 2.7619 | |
| 315 | G | A | 0.9046 | |
| 316 | Y | A | 0.2204 | |
| 317 | K | A | -2.4841 | |
| 318 | E | A | -3.2882 | |
| 319 | K | A | -3.2712 | |
| 320 | S | A | -2.1273 | |
| 321 | K | A | -1.7385 | |
| 322 | F | A | -0.2098 | |
| 323 | Q | A | -1.6982 | |
| 324 | D | A | -2.4827 | |
| 325 | T | A | -1.9998 | |
| 326 | H | A | -2.5732 | |
| 327 | N | A | -2.6969 | |
| 328 | N | A | -2.2506 | |
| 329 | A | A | -1.0080 | |
| 330 | H | A | -0.3041 | |
| 331 | Y | A | 1.9929 | |
| 332 | Y | A | 3.2721 | |
| 333 | V | A | 3.8480 | |
| 334 | F | A | 3.5547 | |
| 335 | F | A | 1.9481 | |
| 336 | E | A | -1.5612 | |
| 337 | E | A | -3.2378 | |
| 338 | Q | A | -3.8902 | |
| 339 | E | A | -4.1268 | |
| 340 | D | A | -3.3928 | |
| 341 | E | A | -1.8494 | |
| 342 | I | A | 1.4158 | |
| 343 | I | A | 2.4442 | |
| 344 | G | A | 1.4863 | |
| 345 | F | A | 1.6692 | |
| 346 | G | A | -0.1943 | |
| 347 | Q | A | -1.7893 | |
| 348 | E | A | -2.3218 | |
| 349 | L | A | -0.8353 | |
| 350 | K | A | -2.3539 | |
| 351 | N | A | -2.5945 | |
| 352 | P | A | -2.5369 | |
| 353 | Q | A | -3.1752 | |
| 354 | E | A | -3.3946 | |
| 355 | E | A | -2.8694 | |
| 356 | T | A | -1.0334 | |
| 357 | L | A | 0.6374 | |
| 358 | Q | A | -0.3515 | |
| 359 | A | A | 0.3488 | |
| 360 | F | A | 0.8471 | |
| 361 | D | A | -1.1646 | |
| 362 | S | A | -0.9453 | |
| 363 | H | A | -1.0506 | |
| 364 | Y | A | 0.0096 | |
| 365 | D | A | -0.7419 | |
| 366 | Y | A | 0.9520 | |
| 367 | T | A | 0.6462 | |
| 368 | I | A | 0.6349 | |
| 369 | C | A | 0.4749 | |
| 370 | G | A | -1.0035 | |
| 371 | D | A | -2.6125 | |
| 372 | S | A | -2.7906 | |
| 373 | E | A | -3.3235 | |
| 374 | D | A | -2.8468 | |
| 375 | M | A | -1.5166 | |
| 376 | V | A | 0.0931 | |
| 377 | C | A | -0.3410 | |
| 378 | T | A | -0.6893 | |
| 379 | P | A | -1.0474 | |
| 380 | K | A | -1.8936 | |
| 381 | S | A | -1.6880 | |
| 382 | D | A | -1.7010 | |
| 383 | E | A | -1.4516 | |
| 384 | F | A | 0.3340 | |
| 385 | N | A | -1.1359 | |
| 386 | P | A | -1.6704 | |
| 387 | C | A | -1.6458 | |
| 388 | E | A | -2.0312 | |
| 389 | D | A | -1.8635 | |
| 390 | I | A | -0.3248 | |
| 391 | M | A | -0.3545 | |
| 392 | G | A | -0.5693 | |
| 393 | Y | A | 0.3697 | |
| 394 | K | A | -0.5620 | |
| 395 | F | A | 0.1909 | |
| 396 | A | A | 0.1672 | |
| 397 | I | A | 1.0851 | |
| 398 | F | A | 1.4857 | |
| 399 | T | A | -0.1243 | |
| 400 | K | A | -1.4197 | |
| 401 | A | A | -0.7482 | |
| 402 | F | A | 0.0217 | |
| 403 | Q | A | -0.4996 | |
| 404 | R | A | -1.5627 | |
| 405 | D | A | -0.9803 | |
| 406 | V | A | 0.2666 | |
| 407 | F | A | -0.0108 | |
| 408 | I | A | -0.2635 | |
| 409 | L | A | 0.9622 | |
| 410 | L | A | 1.2836 | |
| 411 | S | A | 0.0000 | |
| 412 | K | A | -0.1939 | |
| 413 | F | A | 1.7093 | |
| 414 | G | A | 0.7559 | |
| 415 | I | A | 1.5502 | |
| 416 | C | A | -0.2049 | |
| 417 | K | A | -2.0651 | |
| 418 | R | A | -2.9072 | |
| 419 | Q | A | -2.3614 | |
| 420 | A | A | 0.0000 | |
| 421 | Q | A | -3.0298 | |
| 422 | A | A | -1.9677 | |
| 423 | Y | A | -1.8642 | |
| 424 | R | A | -2.5877 | |
| 425 | G | A | -2.1175 | |
| 426 | Q | A | -2.3847 | |
| 427 | R | A | -1.9368 | |
| 428 | V | A | 0.1487 | |
| 429 | P | A | -0.7137 | |
| 430 | P | A | -1.2764 | |
| 431 | K | A | -2.3459 | |
| 432 | N | A | -2.3350 | |
| 433 | S | A | -1.6068 | |
| 434 | T | A | -0.8977 | |
| 435 | D | A | -1.0750 | |
| 436 | I | A | 0.8369 | |
| 437 | Q | A | 0.0403 | |
| 438 | V | A | 0.5311 | |
| 439 | Q | A | -0.9551 | |
| 440 | K | A | -0.9940 | |
| 441 | V | A | 0.4280 | |
| 442 | T | A | -0.5058 | |
| 443 | H | A | -1.6407 | |
| 444 | E | A | -2.2419 | |
| 445 | M | A | -1.2624 | |
| 446 | R | A | -2.3847 | |
| 447 | Q | A | -1.8286 | |
| 448 | G | A | -1.0385 | |
| 449 | L | A | 0.0087 | |
| 450 | H | A | -0.6155 | |
| 451 | N | A | -1.4866 | |
| 452 | M | A | -0.9190 | |
| 453 | E | A | -1.9760 | |
| 454 | D | A | -1.5016 | |
| 455 | V | A | 0.9104 | |
| 456 | Y | A | 0.9790 | |
| 457 | E | A | 0.0584 | |
| 458 | L | A | 1.6237 | |
| 459 | I | A | 1.2472 | |
| 460 | E | A | -1.3039 | |
| 461 | N | A | -1.8445 | |
| 462 | S | A | -1.1547 | |
| 463 | H | A | -0.6249 | |
| 464 | L | A | 0.9162 | |
| 465 | T | A | -0.0212 | |
| 466 | P | A | -1.0909 | |
| 467 | K | A | -2.9092 | |
| 468 | K | A | -3.3131 | |
| 469 | Q | A | -2.9620 | |
| 470 | G | A | -1.7106 | |
| 471 | Q | A | -0.7119 | |
| 472 | I | A | 0.8356 | |
| 473 | S | A | -0.7783 | |
| 474 | E | A | -2.1592 | |
| 475 | E | A | -1.8642 | |
| 476 | Y | A | 0.2814 | |
| 477 | M | A | 0.7030 | |
| 478 | Q | A | -0.0878 | |
| 479 | T | A | 0.7466 | |
| 480 | V | A | 2.1906 | |
| 481 | L | A | 1.8641 | |
| 482 | P | A | 0.0786 | |
| 483 | K | A | -1.6317 | |
| 484 | P | A | -1.2441 | |
| 485 | S | A | -0.7529 | |
| 486 | T | A | -0.4044 | |
| 487 | P | A | -0.5755 | |
| 488 | P | A | -0.6983 | |
| 489 | G | A | -0.8116 | |
| 490 | S | A | -0.7417 | |
| 491 | S | A | -0.7428 | |
| 492 | G | A | -0.9427 | |
| 493 | G | A | -1.0368 | |
| 494 | G | A | -1.1327 | |
| 495 | S | A | -1.1082 | |
| 496 | P | A | -1.2610 | |
| 497 | K | A | -2.0400 | |
| 498 | S | A | -1.4038 | |
| 499 | C | A | -1.0478 | |
| 500 | D | A | -2.6212 | |
| 501 | K | A | -2.7047 | |
| 502 | T | A | -1.6755 | |
| 503 | H | A | -1.4858 | |
| 504 | T | A | -0.5390 | |
| 505 | C | A | 0.3396 | |
| 506 | P | A | -0.0099 | |
| 507 | P | A | 0.0988 | |
| 508 | C | A | 0.5071 | |
| 509 | P | A | -0.2891 | |
| 510 | A | A | -0.2733 | |
| 511 | P | A | -0.4587 | |
| 512 | E | A | -0.9065 | |
| 513 | L | A | 1.1736 | |
| 514 | L | A | 1.5102 | |
| 515 | G | A | 0.2370 | |
| 516 | G | A | -0.0373 | |
| 517 | P | A | 0.0000 | |
| 518 | S | A | 0.0657 | |
| 519 | V | A | 0.0000 | |
| 520 | F | A | 1.0946 | |
| 521 | L | A | 0.8286 | |
| 522 | F | A | 1.0646 | |
| 523 | P | A | -0.2304 | |
| 524 | P | A | 0.0000 | |
| 525 | K | A | -2.1354 | |
| 526 | P | A | -1.4147 | |
| 527 | K | A | -1.2408 | |
| 528 | D | A | -1.3907 | |
| 529 | T | A | 0.0000 | |
| 530 | L | A | 0.0000 | |
| 531 | M | A | 0.2513 | |
| 532 | I | A | 1.5626 | |
| 533 | S | A | 0.0897 | |
| 534 | R | A | -1.1206 | |
| 535 | T | A | -0.7745 | |
| 536 | P | A | 0.0000 | |
| 537 | E | A | -1.3055 | |
| 538 | V | A | 0.0000 | |
| 539 | T | A | 0.1457 | |
| 540 | C | A | 0.0000 | |
| 541 | V | A | 0.0000 | |
| 542 | V | A | 0.0000 | |
| 543 | V | A | -0.7301 | |
| 544 | D | A | -1.3753 | |
| 545 | V | A | 0.0000 | |
| 546 | S | A | -2.0386 | |
| 547 | H | A | -2.5790 | |
| 548 | E | A | -2.9594 | |
| 549 | D | A | -2.5713 | |
| 550 | P | A | -2.7126 | |
| 551 | E | A | -3.1126 | |
| 552 | V | A | -2.0203 | |
| 553 | K | A | -2.2511 | |
| 554 | F | A | -1.1960 | |
| 555 | N | A | -1.1914 | |
| 556 | W | A | 0.0000 | |
| 557 | Y | A | -0.6451 | |
| 558 | V | A | -0.8361 | |
| 559 | D | A | -1.9693 | |
| 560 | G | A | -0.8392 | |
| 561 | V | A | 0.5920 | |
| 562 | E | A | -0.7222 | |
| 563 | V | A | -0.5869 | |
| 564 | H | A | -1.9078 | |
| 565 | N | A | -2.1927 | |
| 566 | A | A | -1.9000 | |
| 567 | K | A | -2.3882 | |
| 568 | T | A | -1.8284 | |
| 569 | K | A | -2.0891 | |
| 570 | P | A | -2.1884 | |
| 571 | R | A | -3.2852 | |
| 572 | E | A | -3.1671 | |
| 573 | E | A | -3.0560 | |
| 574 | Q | A | -1.3499 | |
| 575 | Y | A | 0.3617 | |
| 576 | N | A | -0.4987 | |
| 577 | S | A | -0.7462 | |
| 578 | T | A | -1.6995 | |
| 579 | Y | A | 0.0000 | |
| 580 | R | A | -2.2531 | |
| 581 | V | A | 0.0000 | |
| 582 | V | A | -0.8886 | |
| 583 | S | A | 0.0000 | |
| 584 | V | A | 0.0000 | |
| 585 | L | A | 0.0000 | |
| 586 | T | A | -0.7448 | |
| 587 | V | A | 0.0000 | |
| 588 | L | A | 0.6074 | |
| 589 | H | A | -0.2515 | |
| 590 | Q | A | -1.4232 | |
| 591 | D | A | -1.3388 | |
| 592 | W | A | 0.0000 | |
| 593 | L | A | -0.9874 | |
| 594 | N | A | -2.1331 | |
| 595 | G | A | -2.1455 | |
| 596 | K | A | -2.1827 | |
| 597 | E | A | -2.2430 | |
| 598 | Y | A | 0.0000 | |
| 599 | K | A | -1.6001 | |
| 600 | C | A | 0.0000 | |
| 601 | K | A | -1.6241 | |
| 602 | V | A | 0.0000 | |
| 603 | S | A | -1.4711 | |
| 604 | N | A | 0.0000 | |
| 605 | K | A | -2.5265 | |
| 606 | A | A | -1.4448 | |
| 607 | L | A | -0.3666 | |
| 608 | P | A | -0.2914 | |
| 609 | A | A | -0.4259 | |
| 610 | P | A | -0.8726 | |
| 611 | I | A | -0.6598 | |
| 612 | E | A | -2.0769 | |
| 613 | K | A | -1.2651 | |
| 614 | T | A | -0.8635 | |
| 615 | I | A | -0.2396 | |
| 616 | S | A | -1.1962 | |
| 617 | K | A | -1.3306 | |
| 618 | A | A | -1.1686 | |
| 619 | K | A | -2.3537 | |
| 620 | G | A | -2.0293 | |
| 621 | Q | A | -2.2177 | |
| 622 | P | A | -1.9260 | |
| 623 | R | A | -2.5473 | |
| 624 | E | A | -2.8270 | |
| 625 | P | A | 0.0000 | |
| 626 | Q | A | -1.3575 | |
| 627 | V | A | -0.4997 | |
| 628 | Y | A | 0.4240 | |
| 629 | T | A | 0.2580 | |
| 630 | L | A | 0.5381 | |
| 631 | P | A | -0.2063 | |
| 632 | P | A | -1.0037 | |
| 633 | S | A | -1.7539 | |
| 634 | R | A | -2.9108 | |
| 635 | D | A | -3.1635 | |
| 636 | E | A | -2.7614 | |
| 637 | L | A | -2.4626 | |
| 638 | T | A | -2.2321 | |
| 639 | K | A | -3.1810 | |
| 640 | N | A | -2.9995 | |
| 641 | Q | A | -2.7250 | |
| 642 | V | A | 0.0000 | |
| 643 | S | A | -0.7710 | |
| 644 | L | A | 0.0000 | |
| 645 | T | A | 0.0000 | |
| 646 | C | A | 0.0000 | |
| 647 | L | A | 0.4367 | |
| 648 | V | A | 0.0000 | |
| 649 | K | A | -0.7255 | |
| 650 | G | A | -1.3768 | |
| 651 | F | A | 0.0000 | |
| 652 | Y | A | -1.1901 | |
| 653 | P | A | 0.0000 | |
| 654 | S | A | -0.0066 | |
| 655 | D | A | -1.1140 | |
| 656 | I | A | 0.0000 | |
| 657 | A | A | -0.6056 | |
| 658 | V | A | 0.0000 | |
| 659 | E | A | -1.1053 | |
| 660 | W | A | 0.0000 | |
| 661 | E | A | -1.8104 | |
| 662 | S | A | 0.0000 | |
| 663 | N | A | -1.8901 | |
| 664 | G | A | -1.7746 | |
| 665 | Q | A | -2.2609 | |
| 666 | P | A | -1.9042 | |
| 667 | E | A | 0.0000 | |
| 668 | N | A | -2.3980 | |
| 669 | N | A | -2.3434 | |
| 670 | Y | A | -2.0873 | |
| 671 | K | A | -2.4389 | |
| 672 | T | A | -1.0685 | |
| 673 | T | A | -0.3552 | |
| 674 | P | A | 0.0411 | |
| 675 | P | A | 0.6601 | |
| 676 | V | A | 1.6227 | |
| 677 | L | A | 1.3360 | |
| 678 | D | A | -0.5150 | |
| 679 | S | A | -1.0914 | |
| 680 | D | A | -2.0517 | |
| 681 | G | A | -0.9486 | |
| 682 | S | A | 0.0000 | |
| 683 | F | A | 0.3424 | |
| 684 | F | A | 0.7392 | |
| 685 | L | A | 0.0000 | |
| 686 | Y | A | 0.2556 | |
| 687 | S | A | 0.0000 | |
| 688 | K | A | -1.6475 | |
| 689 | L | A | 0.0000 | |
| 690 | T | A | -1.5217 | |
| 691 | V | A | 0.0000 | |
| 692 | D | A | -2.6042 | |
| 693 | K | A | -2.9193 | |
| 694 | S | A | -2.2341 | |
| 695 | R | A | -2.0159 | |
| 696 | W | A | 0.0000 | |
| 697 | Q | A | -2.3585 | |
| 698 | Q | A | -2.1527 | |
| 699 | G | A | -1.2593 | |
| 700 | N | A | -0.9746 | |
| 701 | V | A | -0.0831 | |
| 702 | F | A | 0.0000 | |
| 703 | S | A | -1.1427 | |
| 704 | C | A | 0.0000 | |
| 705 | S | A | 0.0000 | |
| 706 | V | A | 0.0000 | |
| 707 | M | A | 0.0000 | |
| 708 | H | A | 0.0000 | |
| 709 | E | A | -1.1157 | |
| 710 | A | A | -1.5708 | |
| 711 | L | A | -1.4794 | |
| 712 | H | A | -1.7390 | |
| 713 | N | A | -1.6822 | |
| 714 | H | A | -1.1880 | |
| 715 | Y | A | -0.5390 | |
| 716 | T | A | -0.9907 | |
| 717 | Q | A | -1.5440 | |
| 718 | K | A | -1.2901 | |
| 719 | S | A | -0.6166 | |
| 720 | L | A | 0.0000 | |
| 721 | S | A | -0.2227 | |
| 722 | L | A | -0.4629 | |
| 723 | S | A | -0.7628 | |
| 724 | P | A | -0.9455 | |
| 725 | G | A | -1.4220 | |
| 726 | K | A | -2.0235 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.5083 | 7.1974 | View | CSV | PDB |
| 4.5 | -0.5761 | 7.1001 | View | CSV | PDB |
| 5.0 | -0.6613 | 6.9574 | View | CSV | PDB |
| 5.5 | -0.7451 | 6.793 | View | CSV | PDB |
| 6.0 | -0.8063 | 6.6325 | View | CSV | PDB |
| 6.5 | -0.8295 | 6.5019 | View | CSV | PDB |
| 7.0 | -0.8153 | 6.4207 | View | CSV | PDB |
| 7.5 | -0.7776 | 6.3833 | View | CSV | PDB |
| 8.0 | -0.7285 | 6.3693 | View | CSV | PDB |
| 8.5 | -0.6723 | 6.3644 | View | CSV | PDB |
| 9.0 | -0.6088 | 6.3619 | 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