| Chain sequence(s) |
A: MGEFMNFLAHPMLPGSTLKSLWPGASDQMAPLPGGEALASMVDPFGFGRAAASYWRDSIERSVLYWDVMRERGNQYLEHMEQTKPNVLGFDTEVLIDGRTLPHPTNYELLRVLPPSHIQIDPEKRPFVVVDPRAGHGPGIGGFKPDSELGVALKAGHPCYFIGFLPFPEPGQTVEDVVEAEIAFLRHVIALHPETAEKPMVVGNCQAGWQIMMAAALEPDVFGPILIAGAPLSYWAGEHGKAPMRYTGGMAGGSWITALTSDIGNGLFDGAWLVQNFERLNPANTYWKKQYHLYDNIDTESKRYLEFERWWGGHVVLGGEEIQYIVDNLFVGNRLSTAQLVTRDGRRVDLRNVRSPVVVFCSRGDDITPPPQALGWIRDLYEGEEDIIANEQTIVYCLHDTTGHLGIFVSGSVSRKEHTEFTANMDYIDVMPPGLYETTVSHVSERDDAELLERDYLLEFTSRNFEELDRDVMHKPEDDRRFATVARISEINLGFYRLYVQPWIQAAMTPEAARWIRRMHPIRLGYKLLSDRNPLTVPLPVMAETVRRNRQQVGQDNVFKALETMFSDQIVANLNAVRDLRDSTTERLFMDIYGQPLLQAAVGLHGDAHVHRRRPGAEPEHQRFVENRKNELRNKIAQGGAHEAVMRSVIYVLGGAPATDERNFKRLRASRAELEPSSTLSEFKRLVRDQFFILKLDRERALSSLPKLLKGQSDSDIDGHIEHLKHVFAASGELSEHAAERFDQVKKLFDQARPPKAAQPKAIESKPAAETKKVEAKSAAADTQTAVSSSTEGALAEDASAESAANNVVADASKEASKPQPRAASRRKPPRKR
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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:12:41)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/736daff30a6ce48/tmp/folded.pdb (00:12:41)
[INFO] Main: Simulation completed successfully. (00:17:08)
|
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 | 0.6016 | |
| 2 | G | A | -0.1820 | |
| 3 | E | A | -0.7127 | |
| 4 | F | A | 1.3050 | |
| 5 | M | A | 1.0432 | |
| 6 | N | A | 0.0692 | |
| 7 | F | A | 0.9350 | |
| 8 | L | A | 1.2773 | |
| 9 | A | A | 0.0353 | |
| 10 | H | A | -0.3406 | |
| 11 | P | A | 0.1267 | |
| 12 | M | A | 1.2888 | |
| 13 | L | A | 1.6048 | |
| 14 | P | A | 0.4419 | |
| 15 | G | A | 0.1126 | |
| 16 | S | A | -0.2514 | |
| 17 | T | A | -0.0559 | |
| 18 | L | A | 0.7851 | |
| 19 | K | A | -0.4926 | |
| 20 | S | A | 0.3807 | |
| 21 | L | A | 1.7827 | |
| 22 | W | A | 1.3690 | |
| 23 | P | A | 0.3942 | |
| 24 | G | A | -0.3247 | |
| 25 | A | A | -0.7156 | |
| 26 | S | A | -1.3275 | |
| 27 | D | A | -2.1939 | |
| 28 | Q | A | -1.6321 | |
| 29 | M | A | 0.2056 | |
| 30 | A | A | 0.3034 | |
| 31 | P | A | 0.2721 | |
| 32 | L | A | 1.1091 | |
| 33 | P | A | -0.3735 | |
| 34 | G | A | -0.8890 | |
| 35 | G | A | -0.6652 | |
| 36 | E | A | -1.5618 | |
| 37 | A | A | 0.0000 | |
| 38 | L | A | 1.1658 | |
| 39 | A | A | 0.6359 | |
| 40 | S | A | 0.5539 | |
| 41 | M | A | 1.8978 | |
| 42 | V | A | 2.1696 | |
| 43 | D | A | 0.8495 | |
| 44 | P | A | 0.7802 | |
| 45 | F | A | 1.4641 | |
| 46 | G | A | 0.3435 | |
| 47 | F | A | 1.0747 | |
| 48 | G | A | -0.2909 | |
| 49 | R | A | -1.2592 | |
| 50 | A | A | -0.3885 | |
| 51 | A | A | 0.0302 | |
| 52 | A | A | -0.3616 | |
| 53 | S | A | -0.8184 | |
| 54 | Y | A | -0.0079 | |
| 55 | W | A | 0.9940 | |
| 56 | R | A | -0.3003 | |
| 57 | D | A | 0.0000 | |
| 58 | S | A | 0.4293 | |
| 59 | I | A | 1.4395 | |
| 60 | E | A | 0.0000 | |
| 61 | R | A | 0.0000 | |
| 62 | S | A | 0.6696 | |
| 63 | V | A | 0.9121 | |
| 64 | L | A | 0.2205 | |
| 65 | Y | A | 0.4335 | |
| 66 | W | A | 0.7513 | |
| 67 | D | A | 0.4397 | |
| 68 | V | A | 0.0000 | |
| 69 | M | A | 0.0000 | |
| 70 | R | A | 0.0000 | |
| 71 | E | A | -1.2697 | |
| 72 | R | A | -1.2032 | |
| 73 | G | A | 0.0000 | |
| 74 | N | A | -1.8057 | |
| 75 | Q | A | -1.7628 | |
| 76 | Y | A | 0.0000 | |
| 77 | L | A | -2.1040 | |
| 78 | E | A | -2.8260 | |
| 79 | H | A | -2.2693 | |
| 80 | M | A | -1.7166 | |
| 81 | E | A | -3.0386 | |
| 82 | Q | A | -2.8797 | |
| 83 | T | A | -1.6777 | |
| 84 | K | A | -1.9833 | |
| 85 | P | A | 0.0000 | |
| 86 | N | A | -1.1368 | |
| 87 | V | A | 0.0000 | |
| 88 | L | A | -0.5590 | |
| 89 | G | A | -1.1056 | |
| 90 | F | A | -0.8813 | |
| 91 | D | A | -1.9208 | |
| 92 | T | A | -1.1674 | |
| 93 | E | A | -1.0921 | |
| 94 | V | A | 0.4962 | |
| 95 | L | A | 0.5223 | |
| 96 | I | A | 0.1923 | |
| 97 | D | A | -0.3546 | |
| 98 | G | A | 0.0000 | |
| 99 | R | A | -1.7819 | |
| 100 | T | A | -0.9031 | |
| 101 | L | A | -0.6888 | |
| 102 | P | A | -0.7471 | |
| 103 | H | A | -1.1753 | |
| 104 | P | A | -1.3601 | |
| 105 | T | A | 0.0000 | |
| 106 | N | A | 0.0000 | |
| 107 | Y | A | 0.0000 | |
| 108 | E | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | R | A | -0.4975 | |
| 112 | V | A | 0.0000 | |
| 113 | L | A | -0.3602 | |
| 114 | P | A | -0.7859 | |
| 115 | P | A | -0.9555 | |
| 116 | S | A | -0.8045 | |
| 117 | H | A | -1.4810 | |
| 118 | I | A | -1.3486 | |
| 119 | Q | A | -1.8715 | |
| 120 | I | A | 0.0000 | |
| 121 | D | A | -1.9941 | |
| 122 | P | A | -2.0651 | |
| 123 | E | A | -3.0595 | |
| 124 | K | A | -2.1944 | |
| 125 | R | A | 0.0000 | |
| 126 | P | A | 0.0000 | |
| 127 | F | A | 0.0000 | |
| 128 | V | A | 0.0000 | |
| 129 | V | A | 0.0000 | |
| 130 | V | A | 0.0000 | |
| 131 | D | A | 0.0000 | |
| 132 | P | A | 0.0000 | |
| 133 | R | A | 0.0000 | |
| 134 | A | A | 0.0985 | |
| 135 | G | A | 0.0000 | |
| 136 | H | A | 0.0000 | |
| 137 | G | A | -0.4107 | |
| 138 | P | A | 0.0000 | |
| 139 | G | A | 0.0000 | |
| 140 | I | A | 0.0000 | |
| 141 | G | A | 0.0000 | |
| 142 | G | A | 0.0000 | |
| 143 | F | A | -0.6133 | |
| 144 | K | A | -1.3953 | |
| 145 | P | A | -1.6239 | |
| 146 | D | A | -2.5975 | |
| 147 | S | A | 0.0000 | |
| 148 | E | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | G | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | A | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | K | A | -2.1659 | |
| 155 | A | A | -1.1212 | |
| 156 | G | A | 0.0000 | |
| 157 | H | A | -1.3422 | |
| 158 | P | A | 0.0000 | |
| 159 | C | A | 0.0000 | |
| 160 | Y | A | 0.0000 | |
| 161 | F | A | 0.0000 | |
| 162 | I | A | 0.0000 | |
| 163 | G | A | 0.0000 | |
| 164 | F | A | 0.0000 | |
| 165 | L | A | 0.0162 | |
| 166 | P | A | 0.2515 | |
| 167 | F | A | 1.3083 | |
| 168 | P | A | 0.1447 | |
| 169 | E | A | -0.7965 | |
| 170 | P | A | -0.5745 | |
| 171 | G | A | -1.1693 | |
| 172 | Q | A | 0.0000 | |
| 173 | T | A | -0.8777 | |
| 174 | V | A | 0.0000 | |
| 175 | E | A | -0.7151 | |
| 176 | D | A | 0.0000 | |
| 177 | V | A | 0.0000 | |
| 178 | V | A | 0.0000 | |
| 179 | E | A | -0.7184 | |
| 180 | A | A | 0.0000 | |
| 181 | E | A | 0.0000 | |
| 182 | I | A | 0.0000 | |
| 183 | A | A | -0.7198 | |
| 184 | F | A | 0.0000 | |
| 185 | L | A | 0.0000 | |
| 186 | R | A | -1.9432 | |
| 187 | H | A | -0.6877 | |
| 188 | V | A | 0.0000 | |
| 189 | I | A | -0.4312 | |
| 190 | A | A | -0.1775 | |
| 191 | L | A | 0.3993 | |
| 192 | H | A | -0.7991 | |
| 193 | P | A | -1.0598 | |
| 194 | E | A | -2.3732 | |
| 195 | T | A | -1.7765 | |
| 196 | A | A | -1.0868 | |
| 197 | E | A | -1.3410 | |
| 198 | K | A | -1.2262 | |
| 199 | P | A | 0.0000 | |
| 200 | M | A | 0.0000 | |
| 201 | V | A | 0.0000 | |
| 202 | V | A | 0.0000 | |
| 203 | G | A | 0.0000 | |
| 204 | N | A | 0.0000 | |
| 205 | C | A | 0.0000 | |
| 206 | Q | A | -0.1385 | |
| 207 | A | A | 0.0000 | |
| 208 | G | A | 0.0000 | |
| 209 | W | A | 0.0000 | |
| 210 | Q | A | 0.0000 | |
| 211 | I | A | 0.0000 | |
| 212 | M | A | 0.0000 | |
| 213 | M | A | 0.0000 | |
| 214 | A | A | 0.0000 | |
| 215 | A | A | 0.0000 | |
| 216 | A | A | 0.0000 | |
| 217 | L | A | -0.9573 | |
| 218 | E | A | -1.3666 | |
| 219 | P | A | -1.6905 | |
| 220 | D | A | -2.5207 | |
| 221 | V | A | 0.0000 | |
| 222 | F | A | 0.0000 | |
| 223 | G | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | L | A | 0.0000 | |
| 227 | I | A | 0.0000 | |
| 228 | A | A | 0.0000 | |
| 229 | G | A | 0.0000 | |
| 230 | A | A | 0.0000 | |
| 231 | P | A | 0.0000 | |
| 232 | L | A | 0.0000 | |
| 233 | S | A | 0.0000 | |
| 234 | Y | A | 0.0000 | |
| 235 | W | A | 0.0000 | |
| 236 | A | A | 0.0000 | |
| 237 | G | A | -0.8920 | |
| 238 | E | A | -1.4971 | |
| 239 | H | A | -1.4703 | |
| 240 | G | A | -1.6083 | |
| 241 | K | A | -1.7192 | |
| 242 | A | A | -1.1761 | |
| 243 | P | A | -0.9725 | |
| 244 | M | A | -0.5552 | |
| 245 | R | A | -0.0051 | |
| 246 | Y | A | 0.0000 | |
| 247 | T | A | -0.0887 | |
| 248 | G | A | 0.2093 | |
| 249 | G | A | 0.0000 | |
| 250 | M | A | 0.5726 | |
| 251 | A | A | 0.3196 | |
| 252 | G | A | 0.2534 | |
| 253 | G | A | 0.0000 | |
| 254 | S | A | 0.0000 | |
| 255 | W | A | 0.6848 | |
| 256 | I | A | 1.0918 | |
| 257 | T | A | 0.5280 | |
| 258 | A | A | 0.0000 | |
| 259 | L | A | 0.5183 | |
| 260 | T | A | 0.5906 | |
| 261 | S | A | 0.0000 | |
| 262 | D | A | 0.0000 | |
| 263 | I | A | 0.0813 | |
| 264 | G | A | 0.0000 | |
| 265 | N | A | -1.2343 | |
| 266 | G | A | -0.9668 | |
| 267 | L | A | -0.2812 | |
| 268 | F | A | 0.0000 | |
| 269 | D | A | 0.0000 | |
| 270 | G | A | 0.0000 | |
| 271 | A | A | 0.0000 | |
| 272 | W | A | 0.3083 | |
| 273 | L | A | 0.0325 | |
| 274 | V | A | 0.0000 | |
| 275 | Q | A | -0.8751 | |
| 276 | N | A | -1.6155 | |
| 277 | F | A | -1.0011 | |
| 278 | E | A | -1.1983 | |
| 279 | R | A | -2.1750 | |
| 280 | L | A | -1.4579 | |
| 281 | N | A | -1.3323 | |
| 282 | P | A | 0.0000 | |
| 283 | A | A | 0.0000 | |
| 284 | N | A | -0.2381 | |
| 285 | T | A | -0.2266 | |
| 286 | Y | A | 0.6812 | |
| 287 | W | A | 0.2227 | |
| 288 | K | A | -0.7519 | |
| 289 | K | A | -0.3743 | |
| 290 | Q | A | -0.3000 | |
| 291 | Y | A | -0.3304 | |
| 292 | H | A | -0.8023 | |
| 293 | L | A | 0.0000 | |
| 294 | Y | A | -0.4320 | |
| 295 | D | A | -1.0704 | |
| 296 | N | A | -1.1607 | |
| 297 | I | A | 0.0000 | |
| 298 | D | A | -2.0332 | |
| 299 | T | A | -1.5230 | |
| 300 | E | A | -1.8209 | |
| 301 | S | A | -2.0924 | |
| 302 | K | A | -3.0861 | |
| 303 | R | A | -3.0660 | |
| 304 | Y | A | 0.0000 | |
| 305 | L | A | -2.1114 | |
| 306 | E | A | -2.6587 | |
| 307 | F | A | -1.1890 | |
| 308 | E | A | 0.0000 | |
| 309 | R | A | -1.6961 | |
| 310 | W | A | 0.0000 | |
| 311 | W | A | -0.2369 | |
| 312 | G | A | 0.0000 | |
| 313 | G | A | 0.0000 | |
| 314 | H | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | V | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | G | A | -0.6784 | |
| 319 | G | A | 0.0000 | |
| 320 | E | A | -1.8858 | |
| 321 | E | A | 0.0000 | |
| 322 | I | A | 0.0000 | |
| 323 | Q | A | -0.5025 | |
| 324 | Y | A | -0.3436 | |
| 325 | I | A | 0.0000 | |
| 326 | V | A | 0.1330 | |
| 327 | D | A | -0.3489 | |
| 328 | N | A | -0.2778 | |
| 329 | L | A | 0.0000 | |
| 330 | F | A | 0.5775 | |
| 331 | V | A | 0.0000 | |
| 332 | G | A | -0.4747 | |
| 333 | N | A | 0.0000 | |
| 334 | R | A | -0.6753 | |
| 335 | L | A | 0.0000 | |
| 336 | S | A | 0.0000 | |
| 337 | T | A | 0.0000 | |
| 338 | A | A | 0.0000 | |
| 339 | Q | A | -0.8874 | |
| 340 | L | A | 0.0000 | |
| 341 | V | A | -0.3455 | |
| 342 | T | A | 0.0000 | |
| 343 | R | A | -2.7748 | |
| 344 | D | A | -2.9909 | |
| 345 | G | A | -2.1175 | |
| 346 | R | A | -1.9682 | |
| 347 | R | A | -1.9526 | |
| 348 | V | A | 0.0000 | |
| 349 | D | A | -0.9303 | |
| 350 | L | A | 0.0000 | |
| 351 | R | A | -0.9215 | |
| 352 | N | A | -1.5092 | |
| 353 | V | A | 0.0000 | |
| 354 | R | A | -2.1692 | |
| 355 | S | A | 0.0000 | |
| 356 | P | A | 0.0000 | |
| 357 | V | A | 0.0000 | |
| 358 | V | A | 0.0000 | |
| 359 | V | A | 0.0000 | |
| 360 | F | A | 0.0000 | |
| 361 | C | A | 0.0000 | |
| 362 | S | A | 0.0000 | |
| 363 | R | A | -2.3242 | |
| 364 | G | A | -1.5567 | |
| 365 | D | A | 0.0000 | |
| 366 | D | A | -1.9198 | |
| 367 | I | A | -0.3602 | |
| 368 | T | A | 0.0000 | |
| 369 | P | A | 0.0000 | |
| 370 | P | A | 0.0000 | |
| 371 | P | A | 0.0000 | |
| 372 | Q | A | 0.0000 | |
| 373 | A | A | 0.0000 | |
| 374 | L | A | 0.0000 | |
| 375 | G | A | 0.0000 | |
| 376 | W | A | 0.0000 | |
| 377 | I | A | 0.0000 | |
| 378 | R | A | -1.2563 | |
| 379 | D | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | Y | A | 0.0000 | |
| 382 | E | A | -2.5663 | |
| 383 | G | A | -2.1152 | |
| 384 | E | A | -1.9205 | |
| 385 | E | A | -2.7067 | |
| 386 | D | A | 0.0000 | |
| 387 | I | A | 0.0000 | |
| 388 | I | A | 0.0000 | |
| 389 | A | A | 0.0000 | |
| 390 | N | A | 0.0000 | |
| 391 | E | A | -1.3939 | |
| 392 | Q | A | 0.0000 | |
| 393 | T | A | 0.0000 | |
| 394 | I | A | 0.0000 | |
| 395 | V | A | 0.0000 | |
| 396 | Y | A | 0.0000 | |
| 397 | C | A | 0.0000 | |
| 398 | L | A | -0.5930 | |
| 399 | H | A | -1.2670 | |
| 400 | D | A | -2.3226 | |
| 401 | T | A | -1.4596 | |
| 402 | T | A | 0.0000 | |
| 403 | G | A | -0.4816 | |
| 404 | H | A | 0.0000 | |
| 405 | L | A | 0.5340 | |
| 406 | G | A | 0.2248 | |
| 407 | I | A | 0.0000 | |
| 408 | F | A | 0.0000 | |
| 409 | V | A | -0.1311 | |
| 410 | S | A | -0.8378 | |
| 411 | G | A | -1.4933 | |
| 412 | S | A | -1.2373 | |
| 413 | V | A | 0.0000 | |
| 414 | S | A | 0.0000 | |
| 415 | R | A | -2.6584 | |
| 416 | K | A | -1.5970 | |
| 417 | E | A | 0.0000 | |
| 418 | H | A | 0.0000 | |
| 419 | T | A | -1.0374 | |
| 420 | E | A | 0.0000 | |
| 421 | F | A | 0.0000 | |
| 422 | T | A | 0.0000 | |
| 423 | A | A | -0.1058 | |
| 424 | N | A | 0.0000 | |
| 425 | M | A | 0.0000 | |
| 426 | D | A | -0.9286 | |
| 427 | Y | A | 0.0000 | |
| 428 | I | A | 0.0000 | |
| 429 | D | A | 0.0000 | |
| 430 | V | A | 0.0000 | |
| 431 | M | A | 0.0000 | |
| 432 | P | A | -0.3406 | |
| 433 | P | A | 0.0000 | |
| 434 | G | A | 0.0000 | |
| 435 | L | A | 0.0000 | |
| 436 | Y | A | 0.0000 | |
| 437 | E | A | -0.6716 | |
| 438 | T | A | 0.0000 | |
| 439 | T | A | -0.0886 | |
| 440 | V | A | 0.0223 | |
| 441 | S | A | -0.8073 | |
| 442 | H | A | -1.3667 | |
| 443 | V | A | -1.8873 | |
| 444 | S | A | -1.9950 | |
| 445 | E | A | -2.5101 | |
| 446 | R | A | -2.4715 | |
| 447 | D | A | -2.6252 | |
| 448 | D | A | -1.6014 | |
| 449 | A | A | -1.9957 | |
| 450 | E | A | -1.8211 | |
| 451 | L | A | -0.2656 | |
| 452 | L | A | -1.1289 | |
| 453 | E | A | -2.2478 | |
| 454 | R | A | -1.9094 | |
| 455 | D | A | -2.5499 | |
| 456 | Y | A | -1.6213 | |
| 457 | L | A | 0.0000 | |
| 458 | L | A | 0.0000 | |
| 459 | E | A | -0.4129 | |
| 460 | F | A | 0.0000 | |
| 461 | T | A | -0.5018 | |
| 462 | S | A | -0.8047 | |
| 463 | R | A | -1.6105 | |
| 464 | N | A | -2.3438 | |
| 465 | F | A | 0.0000 | |
| 466 | E | A | -3.1107 | |
| 467 | E | A | -2.7602 | |
| 468 | L | A | 0.0000 | |
| 469 | D | A | -2.5141 | |
| 470 | R | A | -2.7783 | |
| 471 | D | A | -1.8647 | |
| 472 | V | A | 0.0000 | |
| 473 | M | A | -1.1016 | |
| 474 | H | A | -1.4451 | |
| 475 | K | A | -1.7187 | |
| 476 | P | A | -1.7155 | |
| 477 | E | A | -2.4371 | |
| 478 | D | A | 0.0000 | |
| 479 | D | A | 0.0000 | |
| 480 | R | A | -1.3688 | |
| 481 | R | A | -1.1361 | |
| 482 | F | A | 0.0000 | |
| 483 | A | A | 0.0000 | |
| 484 | T | A | 0.0000 | |
| 485 | V | A | 0.0000 | |
| 486 | A | A | -0.6242 | |
| 487 | R | A | -0.9665 | |
| 488 | I | A | -0.1036 | |
| 489 | S | A | 0.0000 | |
| 490 | E | A | -0.6379 | |
| 491 | I | A | 1.1496 | |
| 492 | N | A | 0.7075 | |
| 493 | L | A | 0.5397 | |
| 494 | G | A | 0.9693 | |
| 495 | F | A | 2.4802 | |
| 496 | Y | A | 0.0000 | |
| 497 | R | A | 0.2956 | |
| 498 | L | A | 2.0924 | |
| 499 | Y | A | 2.5394 | |
| 500 | V | A | 1.7654 | |
| 501 | Q | A | 0.6438 | |
| 502 | P | A | 0.3474 | |
| 503 | W | A | 1.2071 | |
| 504 | I | A | 0.3435 | |
| 505 | Q | A | -0.7343 | |
| 506 | A | A | -0.1496 | |
| 507 | A | A | 0.0705 | |
| 508 | M | A | -0.4142 | |
| 509 | T | A | -0.9345 | |
| 510 | P | A | -1.2318 | |
| 511 | E | A | -1.9578 | |
| 512 | A | A | -0.8847 | |
| 513 | A | A | 0.0000 | |
| 514 | R | A | -1.4783 | |
| 515 | W | A | -0.0820 | |
| 516 | I | A | 0.1860 | |
| 517 | R | A | 0.0000 | |
| 518 | R | A | -1.2260 | |
| 519 | M | A | -0.0054 | |
| 520 | H | A | 0.0000 | |
| 521 | P | A | -0.1411 | |
| 522 | I | A | -0.0741 | |
| 523 | R | A | -0.2987 | |
| 524 | L | A | 0.1026 | |
| 525 | G | A | 0.3227 | |
| 526 | Y | A | 0.0000 | |
| 527 | K | A | -0.5880 | |
| 528 | L | A | 0.5626 | |
| 529 | L | A | 0.0353 | |
| 530 | S | A | 0.0000 | |
| 531 | D | A | -2.1492 | |
| 532 | R | A | -2.2554 | |
| 533 | N | A | -0.7015 | |
| 534 | P | A | 0.2096 | |
| 535 | L | A | 1.5314 | |
| 536 | T | A | 0.0000 | |
| 537 | V | A | 1.6143 | |
| 538 | P | A | 1.4488 | |
| 539 | L | A | 1.3764 | |
| 540 | P | A | 0.9238 | |
| 541 | V | A | 1.8134 | |
| 542 | M | A | 1.0926 | |
| 543 | A | A | 0.0000 | |
| 544 | E | A | -1.1792 | |
| 545 | T | A | -1.1336 | |
| 546 | V | A | -1.5945 | |
| 547 | R | A | -3.3810 | |
| 548 | R | A | -3.6689 | |
| 549 | N | A | -3.2854 | |
| 550 | R | A | -3.1490 | |
| 551 | Q | A | -2.8290 | |
| 552 | Q | A | -2.4454 | |
| 553 | V | A | 0.0000 | |
| 554 | G | A | -1.9049 | |
| 555 | Q | A | -2.3967 | |
| 556 | D | A | -2.8486 | |
| 557 | N | A | 0.0000 | |
| 558 | V | A | 0.0000 | |
| 559 | F | A | 0.6740 | |
| 560 | K | A | 0.0470 | |
| 561 | A | A | 0.3805 | |
| 562 | L | A | 1.8751 | |
| 563 | E | A | 0.9733 | |
| 564 | T | A | 0.5953 | |
| 565 | M | A | 1.4770 | |
| 566 | F | A | 1.8003 | |
| 567 | S | A | 0.0000 | |
| 568 | D | A | -1.3186 | |
| 569 | Q | A | -1.2142 | |
| 570 | I | A | -0.3993 | |
| 571 | V | A | -0.4588 | |
| 572 | A | A | -0.8770 | |
| 573 | N | A | -1.3233 | |
| 574 | L | A | -0.0604 | |
| 575 | N | A | -0.4094 | |
| 576 | A | A | 0.1949 | |
| 577 | V | A | 1.2246 | |
| 578 | R | A | -0.4737 | |
| 579 | D | A | -0.8354 | |
| 580 | L | A | 0.9433 | |
| 581 | R | A | -0.4347 | |
| 582 | D | A | -0.7918 | |
| 583 | S | A | -1.0118 | |
| 584 | T | A | -0.6229 | |
| 585 | T | A | -0.6137 | |
| 586 | E | A | 0.0000 | |
| 587 | R | A | -1.9076 | |
| 588 | L | A | -0.1721 | |
| 589 | F | A | 0.0000 | |
| 590 | M | A | -1.0963 | |
| 591 | D | A | -1.5384 | |
| 592 | I | A | 0.3492 | |
| 593 | Y | A | 0.0000 | |
| 594 | G | A | -0.7160 | |
| 595 | Q | A | -0.3320 | |
| 596 | P | A | 0.2313 | |
| 597 | L | A | 1.3667 | |
| 598 | L | A | 0.8406 | |
| 599 | Q | A | 0.0000 | |
| 600 | A | A | 0.0219 | |
| 601 | A | A | 0.3334 | |
| 602 | V | A | 0.0000 | |
| 603 | G | A | -0.7303 | |
| 604 | L | A | -0.9508 | |
| 605 | H | A | -1.5585 | |
| 606 | G | A | -1.6068 | |
| 607 | D | A | -2.0322 | |
| 608 | A | A | -1.1709 | |
| 609 | H | A | -0.9745 | |
| 610 | V | A | 0.5591 | |
| 611 | H | A | -0.5071 | |
| 612 | R | A | 0.0000 | |
| 613 | R | A | -0.7695 | |
| 614 | R | A | -1.2936 | |
| 615 | P | A | 0.0000 | |
| 616 | G | A | 0.0000 | |
| 617 | A | A | -1.4614 | |
| 618 | E | A | -1.8888 | |
| 619 | P | A | -1.9201 | |
| 620 | E | A | -2.6838 | |
| 621 | H | A | 0.0000 | |
| 622 | Q | A | -2.9113 | |
| 623 | R | A | -3.5638 | |
| 624 | F | A | -2.0045 | |
| 625 | V | A | -2.6199 | |
| 626 | E | A | -3.7602 | |
| 627 | N | A | -3.6142 | |
| 628 | R | A | -3.1528 | |
| 629 | K | A | -3.3414 | |
| 630 | N | A | -3.5201 | |
| 631 | E | A | -4.0804 | |
| 632 | L | A | 0.0000 | |
| 633 | R | A | -3.9947 | |
| 634 | N | A | -3.5226 | |
| 635 | K | A | -2.9588 | |
| 636 | I | A | 0.0000 | |
| 637 | A | A | -2.0064 | |
| 638 | Q | A | -2.3902 | |
| 639 | G | A | -1.6196 | |
| 640 | G | A | -1.4804 | |
| 641 | A | A | -1.1181 | |
| 642 | H | A | -0.7186 | |
| 643 | E | A | -0.9656 | |
| 644 | A | A | 0.0000 | |
| 645 | V | A | 0.0000 | |
| 646 | M | A | 0.0000 | |
| 647 | R | A | 0.0000 | |
| 648 | S | A | 0.0000 | |
| 649 | V | A | 0.0000 | |
| 650 | I | A | 0.2205 | |
| 651 | Y | A | -0.1869 | |
| 652 | V | A | 0.0000 | |
| 653 | L | A | -0.1493 | |
| 654 | G | A | -0.3997 | |
| 655 | G | A | -0.6464 | |
| 656 | A | A | -0.4557 | |
| 657 | P | A | -0.4229 | |
| 658 | A | A | -0.3987 | |
| 659 | T | A | -0.4521 | |
| 660 | D | A | -0.6035 | |
| 661 | E | A | -0.7376 | |
| 662 | R | A | -0.5972 | |
| 663 | N | A | -0.7746 | |
| 664 | F | A | 0.0000 | |
| 665 | K | A | -1.2503 | |
| 666 | R | A | 0.0000 | |
| 667 | L | A | 0.0000 | |
| 668 | R | A | -1.8806 | |
| 669 | A | A | -1.3027 | |
| 670 | S | A | 0.0000 | |
| 671 | R | A | -1.2665 | |
| 672 | A | A | -1.1944 | |
| 673 | E | A | -1.6095 | |
| 674 | L | A | -0.8475 | |
| 675 | E | A | -0.9877 | |
| 676 | P | A | -0.8184 | |
| 677 | S | A | -0.4251 | |
| 678 | S | A | -0.6500 | |
| 679 | T | A | -0.8850 | |
| 680 | L | A | -0.8088 | |
| 681 | S | A | -1.3566 | |
| 682 | E | A | -2.0614 | |
| 683 | F | A | 0.0000 | |
| 684 | K | A | -1.5872 | |
| 685 | R | A | -2.5245 | |
| 686 | L | A | -1.3949 | |
| 687 | V | A | 0.0000 | |
| 688 | R | A | 0.0000 | |
| 689 | D | A | -1.2285 | |
| 690 | Q | A | 0.0000 | |
| 691 | F | A | -0.4327 | |
| 692 | F | A | 0.0000 | |
| 693 | I | A | 0.0000 | |
| 694 | L | A | 0.0000 | |
| 695 | K | A | -2.0534 | |
| 696 | L | A | -1.7837 | |
| 697 | D | A | -2.5800 | |
| 698 | R | A | -2.8561 | |
| 699 | E | A | -3.2535 | |
| 700 | R | A | -2.8992 | |
| 701 | A | A | 0.0000 | |
| 702 | L | A | -1.4889 | |
| 703 | S | A | -1.5433 | |
| 704 | S | A | 0.0000 | |
| 705 | L | A | 0.0000 | |
| 706 | P | A | -2.1038 | |
| 707 | K | A | -2.7523 | |
| 708 | L | A | 0.0000 | |
| 709 | L | A | 0.0000 | |
| 710 | K | A | -2.8856 | |
| 711 | G | A | -1.9751 | |
| 712 | Q | A | -1.7840 | |
| 713 | S | A | -1.6670 | |
| 714 | D | A | -2.1724 | |
| 715 | S | A | -1.6446 | |
| 716 | D | A | -2.1685 | |
| 717 | I | A | 0.0000 | |
| 718 | D | A | -2.6166 | |
| 719 | G | A | -2.1618 | |
| 720 | H | A | -1.7821 | |
| 721 | I | A | -2.0709 | |
| 722 | E | A | -2.9678 | |
| 723 | H | A | -2.0821 | |
| 724 | L | A | 0.0000 | |
| 725 | K | A | -2.1676 | |
| 726 | H | A | -1.9690 | |
| 727 | V | A | 0.0000 | |
| 728 | F | A | 0.0000 | |
| 729 | A | A | -1.0933 | |
| 730 | A | A | -0.8414 | |
| 731 | S | A | -0.6788 | |
| 732 | G | A | -0.9858 | |
| 733 | E | A | -2.1225 | |
| 734 | L | A | -1.7453 | |
| 735 | S | A | -2.0404 | |
| 736 | E | A | -3.0559 | |
| 737 | H | A | -2.7330 | |
| 738 | A | A | -2.1947 | |
| 739 | A | A | -2.4998 | |
| 740 | E | A | -3.3332 | |
| 741 | R | A | -2.5320 | |
| 742 | F | A | 0.0000 | |
| 743 | D | A | -3.0277 | |
| 744 | Q | A | -2.4381 | |
| 745 | V | A | 0.0000 | |
| 746 | K | A | -2.5611 | |
| 747 | K | A | -3.0854 | |
| 748 | L | A | -2.0963 | |
| 749 | F | A | 0.0000 | |
| 750 | D | A | -2.6503 | |
| 751 | Q | A | -2.7123 | |
| 752 | A | A | -2.4532 | |
| 753 | R | A | -2.3981 | |
| 754 | P | A | -1.8129 | |
| 755 | P | A | -1.4592 | |
| 756 | K | A | -2.1511 | |
| 757 | A | A | -1.1888 | |
| 758 | A | A | -1.3204 | |
| 759 | Q | A | -1.9797 | |
| 760 | P | A | -1.3207 | |
| 761 | K | A | -1.8175 | |
| 762 | A | A | -0.5589 | |
| 763 | I | A | 0.4054 | |
| 764 | E | A | -1.6307 | |
| 765 | S | A | -1.4193 | |
| 766 | K | A | -2.1236 | |
| 767 | P | A | -1.4788 | |
| 768 | A | A | -0.9033 | |
| 769 | A | A | -1.0501 | |
| 770 | E | A | -2.2147 | |
| 771 | T | A | -2.1329 | |
| 772 | K | A | -2.6130 | |
| 773 | K | A | -2.0401 | |
| 774 | V | A | -0.3239 | |
| 775 | E | A | -1.6569 | |
| 776 | A | A | -1.3966 | |
| 777 | K | A | -2.1413 | |
| 778 | S | A | -1.1108 | |
| 779 | A | A | -0.3609 | |
| 780 | A | A | -0.3106 | |
| 781 | A | A | -0.9253 | |
| 782 | D | A | -2.0255 | |
| 783 | T | A | -1.5835 | |
| 784 | Q | A | -1.6296 | |
| 785 | T | A | -0.2737 | |
| 786 | A | A | 0.7005 | |
| 787 | V | A | 1.6416 | |
| 788 | S | A | 0.4856 | |
| 789 | S | A | -0.0721 | |
| 790 | S | A | -0.8039 | |
| 791 | T | A | -1.2263 | |
| 792 | E | A | -1.9970 | |
| 793 | G | A | -1.1408 | |
| 794 | A | A | 0.2359 | |
| 795 | L | A | 0.9285 | |
| 796 | A | A | -0.5428 | |
| 797 | E | A | -2.3255 | |
| 798 | D | A | -2.6909 | |
| 799 | A | A | -1.4241 | |
| 800 | S | A | -0.9360 | |
| 801 | A | A | -0.9652 | |
| 802 | E | A | -1.9348 | |
| 803 | S | A | -1.0798 | |
| 804 | A | A | -0.6296 | |
| 805 | A | A | -0.8418 | |
| 806 | N | A | -1.5202 | |
| 807 | N | A | -0.7325 | |
| 808 | V | A | 1.7496 | |
| 809 | V | A | 2.0211 | |
| 810 | A | A | 0.2558 | |
| 811 | D | A | -1.3928 | |
| 812 | A | A | -1.2508 | |
| 813 | S | A | -1.8469 | |
| 814 | K | A | -2.6703 | |
| 815 | E | A | -2.9067 | |
| 816 | A | A | -1.6822 | |
| 817 | S | A | -1.6502 | |
| 818 | K | A | -2.4311 | |
| 819 | P | A | -1.9831 | |
| 820 | Q | A | -2.3012 | |
| 821 | P | A | -1.9326 | |
| 822 | R | A | -2.2529 | |
| 823 | A | A | -1.2398 | |
| 824 | A | A | -1.1153 | |
| 825 | S | A | -1.8660 | |
| 826 | R | A | -3.2315 | |
| 827 | R | A | -3.6747 | |
| 828 | K | A | -3.4425 | |
| 829 | P | A | -2.4312 | |
| 830 | P | A | -2.4655 | |
| 831 | R | A | -3.4807 | |
| 832 | K | A | -3.5964 | |
| 833 | R | A | -3.1522 |
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 | -0.3927 | 5.1107 | View | CSV | PDB |
| 4.5 | -0.4611 | 4.9874 | View | CSV | PDB |
| 5.0 | -0.5456 | 4.8427 | View | CSV | PDB |
| 5.5 | -0.6312 | 4.6913 | View | CSV | PDB |
| 6.0 | -0.7042 | 4.6859 | View | CSV | PDB |
| 6.5 | -0.7558 | 4.6859 | View | CSV | PDB |
| 7.0 | -0.7842 | 4.6859 | View | CSV | PDB |
| 7.5 | -0.7956 | 4.6859 | View | CSV | PDB |
| 8.0 | -0.7965 | 4.7568 | View | CSV | PDB |
| 8.5 | -0.7892 | 4.843 | View | CSV | PDB |
| 9.0 | -0.7729 | 4.9291 | 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