| Chain sequence(s) |
A: MEPGGDHRSRSSGGRGGPGPAVASARGRRLPPAGSSGSAEPEEDEGGQDLQLEGGALGSWGSAPLPSSRARGPASSGRKYSDHCEARASRPGKSRIPGRDHRRYYHDHWRLEYLMDFNPARHGMVCMVCGSSLATLKLSTIKRHIRQKHPYSLHWSPREKEVISNSWDAHLGLGACGEAEGLGVQGAEEEEEEEEEEEEEGAGVPACPPKGPELFPLIFPAEPAQASGPYVEIIEQPKQRGMRFRYKCEGRSAGSIPGERSTDTTKTHPTIKINGYTGPGTVRISLVTKDPPHRPHPHELVGKDCRDGFYEAELCPDRCIHSFQNLGIQCVKKRDLEQAISQRIQTNNNPFQVPIEEQRGDYDLNAVRLCFQVTVRDPSGRPLRLPPVLSHPIFDNRAPNTAELKICRVNRNSGSCLGGDEIFLLCDKVQKEDIEVYFTGPGWEARGSFSQADVHRQVAIVFRTPPYADPSLQAPVRVSMQLRRPSDRELSEPMEFQYLPDTDDRHRIEEKRKRTYETFKSIMKKSPFSGPTDPRPPPRRIAVPSRSSASVPKPAPQPYPFTSSLSTINYDEFPTMVFPSGQISQASALAPAPPQVLPQAPAPAPAPAMVSALAQAPAPVPVLAPGPPQAVAPPAPKPTQAGEGTLSEALLQLQFDDEDLGALLGNSTDPAVFTDLASVDNSEFQQLLNQGIPVAPHTTEPMLMEYPEAITRLVTGAQRPPDPAPAPLGAPGLPNGLLSGDEDFSSIADMDFSALLSQISSYPYDVPDYA
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 (00:11:58)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/fde09ac85085fbe/tmp/folded.pdb (00:11:58)
[INFO] Main: Simulation completed successfully. (00:17:12)
|
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 | 0.0599 | |
| 2 | E | A | -1.6262 | |
| 3 | P | A | -1.3826 | |
| 4 | G | A | -1.5984 | |
| 5 | G | A | -2.1059 | |
| 6 | D | A | -3.0069 | |
| 7 | H | A | -2.9402 | |
| 8 | R | A | -3.2547 | |
| 9 | S | A | -2.4520 | |
| 10 | R | A | -2.5866 | |
| 11 | S | A | -1.3794 | |
| 12 | S | A | -1.0753 | |
| 13 | G | A | -1.4278 | |
| 14 | G | A | -1.8074 | |
| 15 | R | A | -2.5473 | |
| 16 | G | A | -1.8966 | |
| 17 | G | A | -1.3575 | |
| 18 | P | A | -0.9033 | |
| 19 | G | A | -0.8273 | |
| 20 | P | A | -0.2432 | |
| 21 | A | A | 0.7302 | |
| 22 | V | A | 1.7386 | |
| 23 | A | A | 0.8436 | |
| 24 | S | A | -0.1873 | |
| 25 | A | A | -1.0110 | |
| 26 | R | A | -2.4974 | |
| 27 | G | A | -2.7040 | |
| 28 | R | A | -3.0680 | |
| 29 | R | A | -2.1456 | |
| 30 | L | A | 0.0838 | |
| 31 | P | A | 0.0617 | |
| 32 | P | A | -0.0949 | |
| 33 | A | A | -0.3868 | |
| 34 | G | A | -0.6447 | |
| 35 | S | A | -0.6376 | |
| 36 | S | A | -0.6877 | |
| 37 | G | A | -0.7100 | |
| 38 | S | A | -0.9177 | |
| 39 | A | A | -1.1086 | |
| 40 | E | A | -2.5687 | |
| 41 | P | A | -2.6131 | |
| 42 | E | A | -3.6869 | |
| 43 | E | A | -4.3855 | |
| 44 | D | A | -4.2371 | |
| 45 | E | A | -3.5273 | |
| 46 | G | A | -2.2392 | |
| 47 | G | A | -2.1027 | |
| 48 | Q | A | -2.2039 | |
| 49 | D | A | -2.0795 | |
| 50 | L | A | 0.1704 | |
| 51 | Q | A | -0.2718 | |
| 52 | L | A | 0.2649 | |
| 53 | E | A | -1.6963 | |
| 54 | G | A | -1.3895 | |
| 55 | G | A | -0.7553 | |
| 56 | A | A | 0.3979 | |
| 57 | L | A | 1.2072 | |
| 58 | G | A | 0.4481 | |
| 59 | S | A | 0.3411 | |
| 60 | W | A | 0.7055 | |
| 61 | G | A | 0.0091 | |
| 62 | S | A | -0.2310 | |
| 63 | A | A | 0.0688 | |
| 64 | P | A | 0.4095 | |
| 65 | L | A | 1.2514 | |
| 66 | P | A | 0.4139 | |
| 67 | S | A | -0.5131 | |
| 68 | S | A | -1.2674 | |
| 69 | R | A | -2.3481 | |
| 70 | A | A | -2.0232 | |
| 71 | R | A | -2.4843 | |
| 72 | G | A | -1.5016 | |
| 73 | P | A | -0.9585 | |
| 74 | A | A | -0.3828 | |
| 75 | S | A | -0.6994 | |
| 76 | S | A | -0.9327 | |
| 77 | G | A | -1.8226 | |
| 78 | R | A | -2.6730 | |
| 79 | K | A | -2.3597 | |
| 80 | Y | A | -0.6704 | |
| 81 | S | A | -1.2185 | |
| 82 | D | A | -2.3302 | |
| 83 | H | A | -1.9099 | |
| 84 | C | A | -1.4309 | |
| 85 | E | A | -2.3805 | |
| 86 | A | A | -1.7048 | |
| 87 | R | A | -2.7197 | |
| 88 | A | A | -2.4816 | |
| 89 | S | A | -2.3022 | |
| 90 | R | A | -2.5682 | |
| 91 | P | A | -1.8232 | |
| 92 | G | A | -2.2029 | |
| 93 | K | A | -2.5175 | |
| 94 | S | A | -2.0124 | |
| 95 | R | A | -1.7621 | |
| 96 | I | A | 0.0150 | |
| 97 | P | A | -0.7312 | |
| 98 | G | A | -2.0712 | |
| 99 | R | A | -3.6268 | |
| 100 | D | A | -4.0287 | |
| 101 | H | A | -3.7185 | |
| 102 | R | A | -4.2385 | |
| 103 | R | A | -4.0539 | |
| 104 | Y | A | -2.3089 | |
| 105 | Y | A | -1.3841 | |
| 106 | H | A | -1.8380 | |
| 107 | D | A | -2.4101 | |
| 108 | H | A | -2.0726 | |
| 109 | W | A | 0.0000 | |
| 110 | R | A | -1.1303 | |
| 111 | L | A | -0.4715 | |
| 112 | E | A | -1.3353 | |
| 113 | Y | A | -0.2875 | |
| 114 | L | A | 0.0000 | |
| 115 | M | A | 0.0000 | |
| 116 | D | A | -0.3995 | |
| 117 | F | A | -0.5479 | |
| 118 | N | A | -1.1179 | |
| 119 | P | A | -1.2534 | |
| 120 | A | A | -1.3162 | |
| 121 | R | A | -2.4177 | |
| 122 | H | A | -2.2843 | |
| 123 | G | A | 0.0000 | |
| 124 | M | A | 0.0000 | |
| 125 | V | A | -0.1322 | |
| 126 | C | A | 0.0000 | |
| 127 | M | A | 0.0000 | |
| 128 | V | A | 0.3937 | |
| 129 | C | A | 0.0977 | |
| 130 | G | A | -0.1088 | |
| 131 | S | A | -0.2360 | |
| 132 | S | A | -0.3761 | |
| 133 | L | A | -0.4720 | |
| 134 | A | A | -0.7416 | |
| 135 | T | A | -1.0094 | |
| 136 | L | A | 0.0000 | |
| 137 | K | A | -2.1655 | |
| 138 | L | A | -0.8003 | |
| 139 | S | A | -1.1839 | |
| 140 | T | A | -1.3867 | |
| 141 | I | A | 0.0000 | |
| 142 | K | A | -2.0995 | |
| 143 | R | A | -3.1164 | |
| 144 | H | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | R | A | -2.5052 | |
| 147 | Q | A | -3.0627 | |
| 148 | K | A | -2.5476 | |
| 149 | H | A | 0.0000 | |
| 150 | P | A | -0.9048 | |
| 151 | Y | A | 0.8516 | |
| 152 | S | A | 0.0000 | |
| 153 | L | A | 0.2082 | |
| 154 | H | A | -0.3880 | |
| 155 | W | A | -0.8936 | |
| 156 | S | A | -1.6776 | |
| 157 | P | A | -1.8071 | |
| 158 | R | A | -2.4888 | |
| 159 | E | A | -2.1980 | |
| 160 | K | A | -1.5183 | |
| 161 | E | A | -1.8391 | |
| 162 | V | A | -0.1883 | |
| 163 | I | A | 0.0429 | |
| 164 | S | A | -0.7200 | |
| 165 | N | A | -1.0451 | |
| 166 | S | A | -0.6364 | |
| 167 | W | A | -0.3684 | |
| 168 | D | A | -0.3316 | |
| 169 | A | A | -0.5295 | |
| 170 | H | A | -0.8124 | |
| 171 | L | A | 0.2959 | |
| 172 | G | A | 0.1516 | |
| 173 | L | A | 1.1061 | |
| 174 | G | A | -0.0036 | |
| 175 | A | A | 0.1420 | |
| 176 | C | A | 0.2491 | |
| 177 | G | A | -1.2121 | |
| 178 | E | A | -2.3262 | |
| 179 | A | A | -1.6799 | |
| 180 | E | A | -2.2514 | |
| 181 | G | A | -0.8672 | |
| 182 | L | A | 1.0869 | |
| 183 | G | A | 0.5748 | |
| 184 | V | A | 1.1975 | |
| 185 | Q | A | -0.6639 | |
| 186 | G | A | -1.2331 | |
| 187 | A | A | -1.7723 | |
| 188 | E | A | -3.3076 | |
| 189 | E | A | -4.1454 | |
| 190 | E | A | -4.4598 | |
| 191 | E | A | -4.4454 | |
| 192 | E | A | -4.3642 | |
| 193 | E | A | -4.4581 | |
| 194 | E | A | -4.4784 | |
| 195 | E | A | -4.3687 | |
| 196 | E | A | -4.3780 | |
| 197 | E | A | -4.3926 | |
| 198 | E | A | -4.3933 | |
| 199 | E | A | -4.1384 | |
| 200 | E | A | -3.4516 | |
| 201 | G | A | -1.9943 | |
| 202 | A | A | -0.4153 | |
| 203 | G | A | 0.0801 | |
| 204 | V | A | 1.4446 | |
| 205 | P | A | 0.6678 | |
| 206 | A | A | 0.5140 | |
| 207 | C | A | 0.3043 | |
| 208 | P | A | -0.5154 | |
| 209 | P | A | -1.1817 | |
| 210 | K | A | -2.3988 | |
| 211 | G | A | -1.7939 | |
| 212 | P | A | -1.1166 | |
| 213 | E | A | -1.1108 | |
| 214 | L | A | 1.6259 | |
| 215 | F | A | 2.7780 | |
| 216 | P | A | 2.5059 | |
| 217 | L | A | 3.7126 | |
| 218 | I | A | 3.8874 | |
| 219 | F | A | 2.9637 | |
| 220 | P | A | 0.9692 | |
| 221 | A | A | -0.0767 | |
| 222 | E | A | -1.8378 | |
| 223 | P | A | -1.5574 | |
| 224 | A | A | -1.1517 | |
| 225 | Q | A | -1.5571 | |
| 226 | A | A | -0.7698 | |
| 227 | S | A | -0.6529 | |
| 228 | G | A | -0.5951 | |
| 229 | P | A | -0.5687 | |
| 230 | Y | A | -0.4294 | |
| 231 | V | A | -0.1123 | |
| 232 | E | A | -0.5246 | |
| 233 | I | A | 0.0795 | |
| 234 | I | A | 0.4610 | |
| 235 | E | A | 0.0000 | |
| 236 | Q | A | -0.8903 | |
| 237 | P | A | 0.0000 | |
| 238 | K | A | -1.5357 | |
| 239 | Q | A | -1.0922 | |
| 240 | R | A | -1.0939 | |
| 241 | G | A | -1.1570 | |
| 242 | M | A | -1.1258 | |
| 243 | R | A | -1.7090 | |
| 244 | F | A | 0.0000 | |
| 245 | R | A | -1.4774 | |
| 246 | Y | A | -1.1744 | |
| 247 | K | A | -1.8690 | |
| 248 | C | A | -0.6803 | |
| 249 | E | A | -1.4077 | |
| 250 | G | A | -1.7696 | |
| 251 | R | A | -2.5141 | |
| 252 | S | A | -1.8214 | |
| 253 | A | A | -1.5870 | |
| 254 | G | A | -1.3709 | |
| 255 | S | A | -1.0458 | |
| 256 | I | A | 0.0000 | |
| 257 | P | A | -1.5751 | |
| 258 | G | A | 0.0000 | |
| 259 | E | A | -2.2742 | |
| 260 | R | A | -2.6410 | |
| 261 | S | A | 0.0000 | |
| 262 | T | A | -2.0267 | |
| 263 | D | A | -2.2476 | |
| 264 | T | A | -1.3949 | |
| 265 | T | A | -1.7483 | |
| 266 | K | A | -2.7205 | |
| 267 | T | A | -1.8210 | |
| 268 | H | A | -1.5917 | |
| 269 | P | A | 0.0000 | |
| 270 | T | A | -0.1014 | |
| 271 | I | A | 0.0000 | |
| 272 | K | A | -0.3972 | |
| 273 | I | A | 0.0000 | |
| 274 | N | A | -0.3883 | |
| 275 | G | A | -0.4909 | |
| 276 | Y | A | -0.5069 | |
| 277 | T | A | -1.0030 | |
| 278 | G | A | -1.0620 | |
| 279 | P | A | -1.3216 | |
| 280 | G | A | -1.1019 | |
| 281 | T | A | -1.4129 | |
| 282 | V | A | 0.0000 | |
| 283 | R | A | -1.0222 | |
| 284 | I | A | 0.0000 | |
| 285 | S | A | 0.0000 | |
| 286 | L | A | 0.0000 | |
| 287 | V | A | 0.0000 | |
| 288 | T | A | 0.0000 | |
| 289 | K | A | -2.0226 | |
| 290 | D | A | -2.5539 | |
| 291 | P | A | -1.4506 | |
| 292 | P | A | -1.3242 | |
| 293 | H | A | -1.2589 | |
| 294 | R | A | -1.1892 | |
| 295 | P | A | 0.0000 | |
| 296 | H | A | 0.0000 | |
| 297 | P | A | 0.0000 | |
| 298 | H | A | 0.0000 | |
| 299 | E | A | -0.8523 | |
| 300 | L | A | 0.0000 | |
| 301 | V | A | -1.3562 | |
| 302 | G | A | -2.2030 | |
| 303 | K | A | -3.0001 | |
| 304 | D | A | -2.6144 | |
| 305 | C | A | -2.2806 | |
| 306 | R | A | -2.8826 | |
| 307 | D | A | -2.3458 | |
| 308 | G | A | 0.0000 | |
| 309 | F | A | 0.0000 | |
| 310 | Y | A | -1.5152 | |
| 311 | E | A | -1.6295 | |
| 312 | A | A | -1.5147 | |
| 313 | E | A | -2.0690 | |
| 314 | L | A | 0.0000 | |
| 315 | C | A | -1.1214 | |
| 316 | P | A | -1.6814 | |
| 317 | D | A | -2.4081 | |
| 318 | R | A | -2.0202 | |
| 319 | C | A | -0.6973 | |
| 320 | I | A | 0.0212 | |
| 321 | H | A | 0.0000 | |
| 322 | S | A | -0.3941 | |
| 323 | F | A | 0.0000 | |
| 324 | Q | A | -2.3896 | |
| 325 | N | A | -2.6166 | |
| 326 | L | A | 0.0000 | |
| 327 | G | A | 0.0000 | |
| 328 | I | A | 0.0000 | |
| 329 | Q | A | -0.8997 | |
| 330 | C | A | 0.0000 | |
| 331 | V | A | -1.3555 | |
| 332 | K | A | -2.1431 | |
| 333 | K | A | -3.1400 | |
| 334 | R | A | -3.4575 | |
| 335 | D | A | -2.7353 | |
| 336 | L | A | 0.0000 | |
| 337 | E | A | -3.4119 | |
| 338 | Q | A | -2.4877 | |
| 339 | A | A | 0.0000 | |
| 340 | I | A | -1.4084 | |
| 341 | S | A | -1.6733 | |
| 342 | Q | A | -1.7834 | |
| 343 | R | A | 0.0000 | |
| 344 | I | A | -0.4901 | |
| 345 | Q | A | -1.6419 | |
| 346 | T | A | -1.6688 | |
| 347 | N | A | -1.7619 | |
| 348 | N | A | 0.0000 | |
| 349 | N | A | -0.6894 | |
| 350 | P | A | 0.0000 | |
| 351 | F | A | -0.2222 | |
| 352 | Q | A | -1.1079 | |
| 353 | V | A | 0.0000 | |
| 354 | P | A | -1.2028 | |
| 355 | I | A | -0.6795 | |
| 356 | E | A | -2.6295 | |
| 357 | E | A | -2.8538 | |
| 358 | Q | A | 0.0000 | |
| 359 | R | A | -3.4793 | |
| 360 | G | A | -2.9956 | |
| 361 | D | A | -2.7077 | |
| 362 | Y | A | 0.0000 | |
| 363 | D | A | -2.2674 | |
| 364 | L | A | -1.2794 | |
| 365 | N | A | -1.1800 | |
| 366 | A | A | 0.0000 | |
| 367 | V | A | 0.0000 | |
| 368 | R | A | -0.8214 | |
| 369 | L | A | 0.0000 | |
| 370 | C | A | 0.0000 | |
| 371 | F | A | 0.0000 | |
| 372 | Q | A | -0.7222 | |
| 373 | V | A | 0.0000 | |
| 374 | T | A | -1.5383 | |
| 375 | V | A | 0.0000 | |
| 376 | R | A | -2.1574 | |
| 377 | D | A | -1.7234 | |
| 378 | P | A | -1.0899 | |
| 379 | S | A | -1.2633 | |
| 380 | G | A | -1.7491 | |
| 381 | R | A | -2.6616 | |
| 382 | P | A | -1.9291 | |
| 383 | L | A | -1.4551 | |
| 384 | R | A | -2.0947 | |
| 385 | L | A | 0.0000 | |
| 386 | P | A | -0.4426 | |
| 387 | P | A | -0.2202 | |
| 388 | V | A | 0.2266 | |
| 389 | L | A | 0.0034 | |
| 390 | S | A | 0.0000 | |
| 391 | H | A | -0.9306 | |
| 392 | P | A | -0.9791 | |
| 393 | I | A | 0.0000 | |
| 394 | F | A | -1.0199 | |
| 395 | D | A | 0.0000 | |
| 396 | N | A | -1.5326 | |
| 397 | R | A | -1.5316 | |
| 398 | A | A | -1.1944 | |
| 399 | P | A | -1.5752 | |
| 400 | N | A | -1.8089 | |
| 401 | T | A | 0.0000 | |
| 402 | A | A | 0.0000 | |
| 403 | E | A | -1.6676 | |
| 404 | L | A | 0.0000 | |
| 405 | K | A | -1.7375 | |
| 406 | I | A | 0.0000 | |
| 407 | C | A | -0.3505 | |
| 408 | R | A | -1.7843 | |
| 409 | V | A | -1.3607 | |
| 410 | N | A | -2.2757 | |
| 411 | R | A | -2.6771 | |
| 412 | N | A | -2.7756 | |
| 413 | S | A | -1.6685 | |
| 414 | G | A | 0.0000 | |
| 415 | S | A | -0.1110 | |
| 416 | C | A | 0.0000 | |
| 417 | L | A | 0.4975 | |
| 418 | G | A | -0.5368 | |
| 419 | G | A | -1.2842 | |
| 420 | D | A | -1.8733 | |
| 421 | E | A | -2.7539 | |
| 422 | I | A | 0.0000 | |
| 423 | F | A | -0.5570 | |
| 424 | L | A | 0.0000 | |
| 425 | L | A | -0.3044 | |
| 426 | C | A | 0.0000 | |
| 427 | D | A | -1.5275 | |
| 428 | K | A | -2.3701 | |
| 429 | V | A | 0.0000 | |
| 430 | Q | A | -1.9211 | |
| 431 | K | A | -2.2476 | |
| 432 | E | A | -1.7562 | |
| 433 | D | A | -1.6359 | |
| 434 | I | A | 0.0000 | |
| 435 | E | A | -1.0398 | |
| 436 | V | A | 0.0000 | |
| 437 | Y | A | -1.0613 | |
| 438 | F | A | 0.0000 | |
| 439 | T | A | -1.3425 | |
| 440 | G | A | -1.0498 | |
| 441 | P | A | -0.9548 | |
| 442 | G | A | -0.9234 | |
| 443 | W | A | -1.0540 | |
| 444 | E | A | -2.2383 | |
| 445 | A | A | -1.7481 | |
| 446 | R | A | -2.5383 | |
| 447 | G | A | 0.0000 | |
| 448 | S | A | -1.4937 | |
| 449 | F | A | -0.9723 | |
| 450 | S | A | -0.6990 | |
| 451 | Q | A | -1.4903 | |
| 452 | A | A | -1.1004 | |
| 453 | D | A | -1.2885 | |
| 454 | V | A | 0.0000 | |
| 455 | H | A | -2.0447 | |
| 456 | R | A | -2.6516 | |
| 457 | Q | A | -2.1826 | |
| 458 | V | A | -0.8287 | |
| 459 | A | A | 0.0000 | |
| 460 | I | A | 0.0000 | |
| 461 | V | A | -0.3233 | |
| 462 | F | A | 0.0000 | |
| 463 | R | A | -2.8021 | |
| 464 | T | A | 0.0000 | |
| 465 | P | A | 0.0000 | |
| 466 | P | A | -0.4600 | |
| 467 | Y | A | -0.1881 | |
| 468 | A | A | -0.6230 | |
| 469 | D | A | -0.9806 | |
| 470 | P | A | -0.7252 | |
| 471 | S | A | -0.8707 | |
| 472 | L | A | -0.8782 | |
| 473 | Q | A | -1.4364 | |
| 474 | A | A | -0.5836 | |
| 475 | P | A | -0.7710 | |
| 476 | V | A | -0.9448 | |
| 477 | R | A | -2.4383 | |
| 478 | V | A | 0.0000 | |
| 479 | S | A | -1.4498 | |
| 480 | M | A | 0.0000 | |
| 481 | Q | A | 0.0000 | |
| 482 | L | A | 0.0000 | |
| 483 | R | A | -1.3865 | |
| 484 | R | A | 0.0000 | |
| 485 | P | A | -1.4455 | |
| 486 | S | A | -1.7469 | |
| 487 | D | A | -2.3169 | |
| 488 | R | A | -2.5758 | |
| 489 | E | A | -1.6054 | |
| 490 | L | A | -0.7268 | |
| 491 | S | A | 0.0000 | |
| 492 | E | A | -1.1805 | |
| 493 | P | A | -0.9307 | |
| 494 | M | A | -1.3143 | |
| 495 | E | A | -2.5301 | |
| 496 | F | A | 0.0000 | |
| 497 | Q | A | -1.8453 | |
| 498 | Y | A | 0.0000 | |
| 499 | L | A | -0.2735 | |
| 500 | P | A | -0.9131 | |
| 501 | D | A | -1.6779 | |
| 502 | T | A | -2.3810 | |
| 503 | D | A | -3.2265 | |
| 504 | D | A | -4.2711 | |
| 505 | R | A | -4.5752 | |
| 506 | H | A | -4.9990 | |
| 507 | R | A | -5.3675 | |
| 508 | I | A | -4.4639 | |
| 509 | E | A | -5.9866 | |
| 510 | E | A | -6.1788 | |
| 511 | K | A | -5.7641 | |
| 512 | R | A | -5.3636 | |
| 513 | K | A | -5.0844 | |
| 514 | R | A | -4.6257 | |
| 515 | T | A | -2.7545 | |
| 516 | Y | A | -1.3735 | |
| 517 | E | A | -2.3784 | |
| 518 | T | A | -0.7849 | |
| 519 | F | A | 0.7389 | |
| 520 | K | A | -0.8558 | |
| 521 | S | A | -0.5351 | |
| 522 | I | A | 0.6893 | |
| 523 | M | A | -0.1082 | |
| 524 | K | A | -1.7200 | |
| 525 | K | A | -1.6763 | |
| 526 | S | A | -0.4300 | |
| 527 | P | A | -0.1284 | |
| 528 | F | A | 1.1852 | |
| 529 | S | A | 0.3521 | |
| 530 | G | A | -0.3708 | |
| 531 | P | A | -0.7989 | |
| 532 | T | A | -1.4385 | |
| 533 | D | A | -2.5397 | |
| 534 | P | A | -2.2769 | |
| 535 | R | A | -2.5851 | |
| 536 | P | A | -1.7801 | |
| 537 | P | A | -1.6432 | |
| 538 | P | A | -1.7949 | |
| 539 | R | A | -2.4197 | |
| 540 | R | A | -1.6018 | |
| 541 | I | A | 1.0433 | |
| 542 | A | A | 1.0521 | |
| 543 | V | A | 1.6862 | |
| 544 | P | A | 0.2774 | |
| 545 | S | A | -0.8738 | |
| 546 | R | A | -1.9643 | |
| 547 | S | A | -1.2831 | |
| 548 | S | A | -0.5869 | |
| 549 | A | A | 0.1734 | |
| 550 | S | A | 0.5565 | |
| 551 | V | A | 1.0963 | |
| 552 | P | A | -0.1969 | |
| 553 | K | A | -1.5613 | |
| 554 | P | A | -1.1037 | |
| 555 | A | A | -0.8865 | |
| 556 | P | A | -1.0892 | |
| 557 | Q | A | -1.1844 | |
| 558 | P | A | -0.3771 | |
| 559 | Y | A | 1.1975 | |
| 560 | P | A | 1.2692 | |
| 561 | F | A | 1.9929 | |
| 562 | T | A | 0.6930 | |
| 563 | S | A | 0.3448 | |
| 564 | S | A | 0.4082 | |
| 565 | L | A | 1.2754 | |
| 566 | S | A | 0.9159 | |
| 567 | T | A | 1.0531 | |
| 568 | I | A | 1.5448 | |
| 569 | N | A | 0.1098 | |
| 570 | Y | A | 0.0241 | |
| 571 | D | A | -2.0064 | |
| 572 | E | A | -1.6674 | |
| 573 | F | A | 0.7761 | |
| 574 | P | A | 0.6330 | |
| 575 | T | A | 1.1583 | |
| 576 | M | A | 2.5803 | |
| 577 | V | A | 3.2038 | |
| 578 | F | A | 2.7808 | |
| 579 | P | A | 1.1063 | |
| 580 | S | A | -0.3957 | |
| 581 | G | A | -0.5809 | |
| 582 | Q | A | -0.4414 | |
| 583 | I | A | 0.9249 | |
| 584 | S | A | -0.0678 | |
| 585 | Q | A | -0.9114 | |
| 586 | A | A | -0.7039 | |
| 587 | S | A | -0.0908 | |
| 588 | A | A | 0.7244 | |
| 589 | L | A | 1.5035 | |
| 590 | A | A | 0.6953 | |
| 591 | P | A | 0.1027 | |
| 592 | A | A | -0.2429 | |
| 593 | P | A | -0.6193 | |
| 594 | P | A | -0.5648 | |
| 595 | Q | A | -0.0773 | |
| 596 | V | A | 1.7387 | |
| 597 | L | A | 1.7321 | |
| 598 | P | A | 0.3948 | |
| 599 | Q | A | -1.0075 | |
| 600 | A | A | -0.6881 | |
| 601 | P | A | -0.5135 | |
| 602 | A | A | -0.1777 | |
| 603 | P | A | -0.3023 | |
| 604 | A | A | -0.1754 | |
| 605 | P | A | -0.3022 | |
| 606 | A | A | -0.1688 | |
| 607 | P | A | -0.0362 | |
| 608 | A | A | 0.8157 | |
| 609 | M | A | 1.8436 | |
| 610 | V | A | 2.1968 | |
| 611 | S | A | 1.2338 | |
| 612 | A | A | 1.0659 | |
| 613 | L | A | 1.3134 | |
| 614 | A | A | 0.1556 | |
| 615 | Q | A | -0.8763 | |
| 616 | A | A | -0.6184 | |
| 617 | P | A | -0.5037 | |
| 618 | A | A | 0.1987 | |
| 619 | P | A | 0.5005 | |
| 620 | V | A | 1.8875 | |
| 621 | P | A | 1.8083 | |
| 622 | V | A | 2.7625 | |
| 623 | L | A | 2.3209 | |
| 624 | A | A | 0.8952 | |
| 625 | P | A | -0.1597 | |
| 626 | G | A | -0.7479 | |
| 627 | P | A | -0.9157 | |
| 628 | P | A | -1.0383 | |
| 629 | Q | A | -0.9955 | |
| 630 | A | A | 0.3058 | |
| 631 | V | A | 1.5365 | |
| 632 | A | A | 0.7281 | |
| 633 | P | A | 0.0364 | |
| 634 | P | A | -0.4103 | |
| 635 | A | A | -0.6221 | |
| 636 | P | A | -1.1628 | |
| 637 | K | A | -1.9465 | |
| 638 | P | A | -1.4287 | |
| 639 | T | A | -1.1879 | |
| 640 | Q | A | -1.3573 | |
| 641 | A | A | -1.2354 | |
| 642 | G | A | -1.6983 | |
| 643 | E | A | -2.1167 | |
| 644 | G | A | -1.5029 | |
| 645 | T | A | -0.4825 | |
| 646 | L | A | 0.8520 | |
| 647 | S | A | 0.1882 | |
| 648 | E | A | -0.8533 | |
| 649 | A | A | 0.5768 | |
| 650 | L | A | 1.9383 | |
| 651 | L | A | 1.4586 | |
| 652 | Q | A | 0.3678 | |
| 653 | L | A | 1.4239 | |
| 654 | Q | A | -0.2661 | |
| 655 | F | A | 0.0794 | |
| 656 | D | A | -2.5590 | |
| 657 | D | A | -3.3408 | |
| 658 | E | A | -3.4837 | |
| 659 | D | A | -2.5618 | |
| 660 | L | A | 0.2477 | |
| 661 | G | A | 0.1176 | |
| 662 | A | A | 0.9840 | |
| 663 | L | A | 2.0934 | |
| 664 | L | A | 1.8705 | |
| 665 | G | A | -0.0555 | |
| 666 | N | A | -1.3108 | |
| 667 | S | A | -1.2384 | |
| 668 | T | A | -1.4886 | |
| 669 | D | A | -1.8656 | |
| 670 | P | A | -0.3826 | |
| 671 | A | A | 0.7577 | |
| 672 | V | A | 2.1647 | |
| 673 | F | A | 2.5311 | |
| 674 | T | A | 0.8057 | |
| 675 | D | A | -0.3641 | |
| 676 | L | A | 1.2939 | |
| 677 | A | A | 0.3978 | |
| 678 | S | A | 0.1881 | |
| 679 | V | A | 0.7659 | |
| 680 | D | A | -1.7412 | |
| 681 | N | A | -2.1727 | |
| 682 | S | A | -1.8965 | |
| 683 | E | A | -1.9538 | |
| 684 | F | A | 0.1186 | |
| 685 | Q | A | -1.1841 | |
| 686 | Q | A | -1.3686 | |
| 687 | L | A | 0.7427 | |
| 688 | L | A | 0.6906 | |
| 689 | N | A | -0.9566 | |
| 690 | Q | A | -1.0726 | |
| 691 | G | A | 0.1736 | |
| 692 | I | A | 1.6702 | |
| 693 | P | A | 1.2983 | |
| 694 | V | A | 1.9311 | |
| 695 | A | A | 0.7031 | |
| 696 | P | A | -0.3266 | |
| 697 | H | A | -1.1249 | |
| 698 | T | A | -1.1487 | |
| 699 | T | A | -1.2168 | |
| 700 | E | A | -1.6160 | |
| 701 | P | A | -0.0574 | |
| 702 | M | A | 1.2410 | |
| 703 | L | A | 1.9202 | |
| 704 | M | A | 1.4975 | |
| 705 | E | A | -0.4328 | |
| 706 | Y | A | 0.5942 | |
| 707 | P | A | -0.6806 | |
| 708 | E | A | -1.7233 | |
| 709 | A | A | -0.1393 | |
| 710 | I | A | 1.1433 | |
| 711 | T | A | 0.1293 | |
| 712 | R | A | -0.7093 | |
| 713 | L | A | 1.6091 | |
| 714 | V | A | 2.1072 | |
| 715 | T | A | 0.4899 | |
| 716 | G | A | -0.4499 | |
| 717 | A | A | -1.1370 | |
| 718 | Q | A | -2.4666 | |
| 719 | R | A | -2.8756 | |
| 720 | P | A | -1.9788 | |
| 721 | P | A | -1.8894 | |
| 722 | D | A | -2.3167 | |
| 723 | P | A | -1.2158 | |
| 724 | A | A | -0.6408 | |
| 725 | P | A | -0.3087 | |
| 726 | A | A | 0.0941 | |
| 727 | P | A | 0.3808 | |
| 728 | L | A | 1.2179 | |
| 729 | G | A | 0.2120 | |
| 730 | A | A | 0.0278 | |
| 731 | P | A | -0.2348 | |
| 732 | G | A | 0.1118 | |
| 733 | L | A | 0.8514 | |
| 734 | P | A | -0.1975 | |
| 735 | N | A | -0.9620 | |
| 736 | G | A | -0.0674 | |
| 737 | L | A | 1.7809 | |
| 738 | L | A | 2.0252 | |
| 739 | S | A | 0.2560 | |
| 740 | G | A | -1.5636 | |
| 741 | D | A | -3.3417 | |
| 742 | E | A | -3.2662 | |
| 743 | D | A | -2.2041 | |
| 744 | F | A | 0.7890 | |
| 745 | S | A | 0.3613 | |
| 746 | S | A | 0.7553 | |
| 747 | I | A | 1.8439 | |
| 748 | A | A | 0.1262 | |
| 749 | D | A | -0.9538 | |
| 750 | M | A | 0.1143 | |
| 751 | D | A | -0.7405 | |
| 752 | F | A | 1.5619 | |
| 753 | S | A | 0.9453 | |
| 754 | A | A | 0.8143 | |
| 755 | L | A | 1.7218 | |
| 756 | L | A | 2.2741 | |
| 757 | S | A | 0.6460 | |
| 758 | Q | A | 0.2212 | |
| 759 | I | A | 1.9867 | |
| 760 | S | A | 0.7879 | |
| 761 | S | A | 0.7174 | |
| 762 | Y | A | 1.5455 | |
| 763 | P | A | 0.6968 | |
| 764 | Y | A | 1.0810 | |
| 765 | D | A | -0.4708 | |
| 766 | V | A | 0.8209 | |
| 767 | P | A | -0.2171 | |
| 768 | D | A | -1.0132 | |
| 769 | Y | A | 0.6229 | |
| 770 | A | A | 0.2099 |
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 | -0.1658 | 7.6987 | View | CSV | PDB |
| 4.5 | -0.2501 | 7.6987 | View | CSV | PDB |
| 5.0 | -0.3565 | 7.6987 | View | CSV | PDB |
| 5.5 | -0.4673 | 7.6987 | View | CSV | PDB |
| 6.0 | -0.5641 | 7.6987 | View | CSV | PDB |
| 6.5 | -0.6349 | 7.6987 | View | CSV | PDB |
| 7.0 | -0.6775 | 7.6987 | View | CSV | PDB |
| 7.5 | -0.699 | 7.6987 | View | CSV | PDB |
| 8.0 | -0.7075 | 7.6987 | View | CSV | PDB |
| 8.5 | -0.7058 | 7.6987 | View | CSV | PDB |
| 9.0 | -0.6937 | 7.6987 | 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