| Chain sequence(s) |
A: SLFLIESEPSTGASVSKNLTEIILIFSNDINKVSQLALTDLITDSDIQGIDYNIEGNKVIINNFSLEPTCNYRLSYEVIDIYDNHLQGYIEFLVGGGGSGGGGSANLNGTLMQYFEWYMPNDGQHWKRLQNDSAYLAEHGITAVWIPPAYKTSQADVGYGAYDLYDLGEFHQKGTVRTKYGTKGELQSAIKSLHSRDINVYGDVVINHKGGADATEDVTAVEVDPADRNRVISGEHRIKAWTHFHFPGRGSTYSDFKWHWYHFDGTDWDESRKLNRIYKFQGKAWDWEVSNENGNYDYLMYADIDYDHPDVAAEIKRWGTWYANELQLDGFRLDAVKHIKFSFLRDWVNHVREKTGKEMFTVAEYWQNDLGALENYLNKTNFHSVFDVPLHYQFHAASTQGGGYDMRKLLNSTVVSKHPLKAVTFVDNHDTQPGQSLESTVQTWFKPLAYAFILTRESGYPQVFYGDMYGTKGDSQREIPALKHKIEPILKARKQYAYGAQHDYFDHHDIVGWTREGDSSVANSGLAALITDGPGGAKRMYVGRQNAGETWHDITGNRSEPVVINSEGWGEFHVNGGSVSIYVQRHHHHHH
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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:04:37)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/db2f5608a8c2210/tmp/folded.pdb (00:04:37)
[INFO] Main: Simulation completed successfully. (00:09:54)
|
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 | S | A | -0.1180 | |
| 2 | L | A | 0.0000 | |
| 3 | F | A | 2.0518 | |
| 4 | L | A | 1.6726 | |
| 5 | I | A | 1.8038 | |
| 6 | E | A | -0.8808 | |
| 7 | S | A | -1.2866 | |
| 8 | E | A | -2.1952 | |
| 9 | P | A | 0.0000 | |
| 10 | S | A | -1.2849 | |
| 11 | T | A | -0.9801 | |
| 12 | G | A | -0.5945 | |
| 13 | A | A | -0.5536 | |
| 14 | S | A | -0.3357 | |
| 15 | V | A | -0.6038 | |
| 16 | S | A | -1.4555 | |
| 17 | K | A | -2.5206 | |
| 18 | N | A | -2.3722 | |
| 19 | L | A | -1.5322 | |
| 20 | T | A | -1.5241 | |
| 21 | E | A | -1.6591 | |
| 22 | I | A | 0.0000 | |
| 23 | I | A | -0.8639 | |
| 24 | L | A | 0.0000 | |
| 25 | I | A | -0.4000 | |
| 26 | F | A | 0.0000 | |
| 27 | S | A | 0.3558 | |
| 28 | N | A | -0.4123 | |
| 29 | D | A | -1.8271 | |
| 30 | I | A | 0.0000 | |
| 31 | N | A | -2.1223 | |
| 32 | K | A | -2.4084 | |
| 33 | V | A | 0.0000 | |
| 34 | S | A | -1.0401 | |
| 35 | Q | A | -1.5384 | |
| 36 | L | A | -0.4995 | |
| 37 | A | A | -0.7501 | |
| 38 | L | A | 0.0000 | |
| 39 | T | A | -1.4428 | |
| 40 | D | A | -0.9309 | |
| 41 | L | A | 0.1980 | |
| 42 | I | A | 1.5804 | |
| 43 | T | A | -0.1785 | |
| 44 | D | A | -1.6922 | |
| 45 | S | A | -1.6173 | |
| 46 | D | A | -2.4607 | |
| 47 | I | A | -1.3146 | |
| 48 | Q | A | -1.7528 | |
| 49 | G | A | -1.3284 | |
| 50 | I | A | -1.3052 | |
| 51 | D | A | -1.9102 | |
| 52 | Y | A | -0.5956 | |
| 53 | N | A | -1.3849 | |
| 54 | I | A | -1.7540 | |
| 55 | E | A | -2.6952 | |
| 56 | G | A | -2.1364 | |
| 57 | N | A | -1.9320 | |
| 58 | K | A | -1.8939 | |
| 59 | V | A | 0.0000 | |
| 60 | I | A | -0.8184 | |
| 61 | I | A | 0.0000 | |
| 62 | N | A | -1.6359 | |
| 63 | N | A | -2.0897 | |
| 64 | F | A | 0.0000 | |
| 65 | S | A | -1.7084 | |
| 66 | L | A | 0.0000 | |
| 67 | E | A | -2.4991 | |
| 68 | P | A | -1.7780 | |
| 69 | T | A | -0.8282 | |
| 70 | C | A | -0.1542 | |
| 71 | N | A | -0.0620 | |
| 72 | Y | A | 0.0000 | |
| 73 | R | A | -1.1658 | |
| 74 | L | A | 0.0000 | |
| 75 | S | A | -0.3223 | |
| 76 | Y | A | 0.0000 | |
| 77 | E | A | -1.3924 | |
| 78 | V | A | 0.0000 | |
| 79 | I | A | 0.0000 | |
| 80 | D | A | 0.0000 | |
| 81 | I | A | 0.6279 | |
| 82 | Y | A | 0.6347 | |
| 83 | D | A | -1.4657 | |
| 84 | N | A | -1.1494 | |
| 85 | H | A | -1.5321 | |
| 86 | L | A | -0.8406 | |
| 87 | Q | A | -1.1024 | |
| 88 | G | A | 0.1632 | |
| 89 | Y | A | 0.6228 | |
| 90 | I | A | 0.0000 | |
| 91 | E | A | -0.8578 | |
| 92 | F | A | 0.0000 | |
| 93 | L | A | -0.1343 | |
| 94 | V | A | 0.0000 | |
| 95 | G | A | -0.9838 | |
| 96 | G | A | -1.3302 | |
| 97 | G | A | -1.2010 | |
| 98 | G | A | -1.0719 | |
| 99 | S | A | -1.2070 | |
| 100 | G | A | -1.2293 | |
| 101 | G | A | -1.2573 | |
| 102 | G | A | -1.1609 | |
| 103 | G | A | -1.0011 | |
| 104 | S | A | -0.7102 | |
| 105 | A | A | -0.5029 | |
| 106 | N | A | -0.7636 | |
| 107 | L | A | 0.3517 | |
| 108 | N | A | -0.5054 | |
| 109 | G | A | -0.4588 | |
| 110 | T | A | 0.0000 | |
| 111 | L | A | 0.0000 | |
| 112 | M | A | 0.0000 | |
| 113 | Q | A | 0.0000 | |
| 114 | Y | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | E | A | 0.0000 | |
| 117 | W | A | 0.0275 | |
| 118 | Y | A | -0.8050 | |
| 119 | M | A | 0.0000 | |
| 120 | P | A | -1.2035 | |
| 121 | N | A | -1.9802 | |
| 122 | D | A | -1.7711 | |
| 123 | G | A | 0.0000 | |
| 124 | Q | A | -1.4528 | |
| 125 | H | A | 0.0000 | |
| 126 | W | A | 0.0000 | |
| 127 | K | A | -1.8885 | |
| 128 | R | A | -1.6944 | |
| 129 | L | A | 0.0000 | |
| 130 | Q | A | -1.8220 | |
| 131 | N | A | -1.9007 | |
| 132 | D | A | -1.2853 | |
| 133 | S | A | 0.0000 | |
| 134 | A | A | -0.9334 | |
| 135 | Y | A | 0.0326 | |
| 136 | L | A | 0.0000 | |
| 137 | A | A | -1.2796 | |
| 138 | E | A | -1.8598 | |
| 139 | H | A | 0.0000 | |
| 140 | G | A | 0.0000 | |
| 141 | I | A | 0.0000 | |
| 142 | T | A | -1.3804 | |
| 143 | A | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | W | A | 0.0000 | |
| 146 | I | A | 0.0000 | |
| 147 | P | A | 0.0000 | |
| 148 | P | A | 0.0000 | |
| 149 | A | A | 0.0000 | |
| 150 | Y | A | 0.0000 | |
| 151 | K | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | S | A | -0.5848 | |
| 154 | Q | A | -1.3524 | |
| 155 | A | A | -0.5791 | |
| 156 | D | A | -0.3253 | |
| 157 | V | A | -0.0858 | |
| 158 | G | A | 0.0000 | |
| 159 | Y | A | 0.1527 | |
| 160 | G | A | 0.0000 | |
| 161 | A | A | 0.0000 | |
| 162 | Y | A | 0.0000 | |
| 163 | D | A | 0.0000 | |
| 164 | L | A | 0.0000 | |
| 165 | Y | A | 0.0000 | |
| 166 | D | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | G | A | 0.0000 | |
| 169 | E | A | -1.1679 | |
| 170 | F | A | -0.7271 | |
| 171 | H | A | -1.0529 | |
| 172 | Q | A | -1.1805 | |
| 173 | K | A | -1.1121 | |
| 174 | G | A | -0.8077 | |
| 175 | T | A | -0.6919 | |
| 176 | V | A | 0.2404 | |
| 177 | R | A | -1.2719 | |
| 178 | T | A | 0.0000 | |
| 179 | K | A | 0.0000 | |
| 180 | Y | A | 0.0000 | |
| 181 | G | A | 0.0000 | |
| 182 | T | A | -0.9762 | |
| 183 | K | A | -1.1982 | |
| 184 | G | A | -1.0699 | |
| 185 | E | A | -1.2945 | |
| 186 | L | A | 0.0000 | |
| 187 | Q | A | -1.3785 | |
| 188 | S | A | -1.3388 | |
| 189 | A | A | 0.0000 | |
| 190 | I | A | 0.0000 | |
| 191 | K | A | -2.6660 | |
| 192 | S | A | -2.0839 | |
| 193 | L | A | 0.0000 | |
| 194 | H | A | -2.5916 | |
| 195 | S | A | -2.2310 | |
| 196 | R | A | -2.9959 | |
| 197 | D | A | -3.0824 | |
| 198 | I | A | 0.0000 | |
| 199 | N | A | -1.7904 | |
| 200 | V | A | 0.0000 | |
| 201 | Y | A | 0.0000 | |
| 202 | G | A | 0.0000 | |
| 203 | D | A | 0.0000 | |
| 204 | V | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | I | A | 0.0000 | |
| 207 | N | A | 0.0000 | |
| 208 | H | A | 0.0000 | |
| 209 | K | A | 0.0000 | |
| 210 | G | A | -0.1423 | |
| 211 | G | A | -0.7882 | |
| 212 | A | A | 0.0000 | |
| 213 | D | A | -1.9561 | |
| 214 | A | A | -1.0940 | |
| 215 | T | A | -1.0481 | |
| 216 | E | A | -1.2981 | |
| 217 | D | A | -2.5670 | |
| 218 | V | A | 0.0000 | |
| 219 | T | A | -2.2215 | |
| 220 | A | A | 0.0000 | |
| 221 | V | A | 0.0000 | |
| 222 | E | A | 0.0000 | |
| 223 | V | A | 0.0000 | |
| 224 | D | A | -0.6960 | |
| 225 | P | A | -0.8757 | |
| 226 | A | A | -1.2338 | |
| 227 | D | A | -1.9555 | |
| 228 | R | A | 0.0000 | |
| 229 | N | A | -0.9081 | |
| 230 | R | A | -0.9551 | |
| 231 | V | A | 1.2410 | |
| 232 | I | A | 2.1123 | |
| 233 | S | A | 0.4705 | |
| 234 | G | A | -0.8096 | |
| 235 | E | A | -2.6121 | |
| 236 | H | A | -2.2851 | |
| 237 | R | A | -3.0060 | |
| 238 | I | A | 0.0000 | |
| 239 | K | A | -2.1900 | |
| 240 | A | A | 0.0000 | |
| 241 | W | A | -0.4378 | |
| 242 | T | A | 0.0000 | |
| 243 | H | A | -0.8255 | |
| 244 | F | A | 0.0000 | |
| 245 | H | A | -1.8687 | |
| 246 | F | A | 0.0000 | |
| 247 | P | A | -1.1721 | |
| 248 | G | A | -1.0500 | |
| 249 | R | A | 0.0000 | |
| 250 | G | A | -1.0041 | |
| 251 | S | A | -1.2363 | |
| 252 | T | A | -0.4827 | |
| 253 | Y | A | -0.1680 | |
| 254 | S | A | -1.1640 | |
| 255 | D | A | -2.1797 | |
| 256 | F | A | -1.5552 | |
| 257 | K | A | -1.8445 | |
| 258 | W | A | 0.0000 | |
| 259 | H | A | -0.1512 | |
| 260 | W | A | 0.3457 | |
| 261 | Y | A | 1.0341 | |
| 262 | H | A | -0.2976 | |
| 263 | F | A | 0.0000 | |
| 264 | D | A | -0.5339 | |
| 265 | G | A | 0.0000 | |
| 266 | T | A | 0.0000 | |
| 267 | D | A | -0.3578 | |
| 268 | W | A | -0.9062 | |
| 269 | D | A | 0.0000 | |
| 270 | E | A | -1.8487 | |
| 271 | S | A | -2.0473 | |
| 272 | R | A | -2.4892 | |
| 273 | K | A | -2.8370 | |
| 274 | L | A | -2.0129 | |
| 275 | N | A | -2.0778 | |
| 276 | R | A | -1.9872 | |
| 277 | I | A | 0.0000 | |
| 278 | Y | A | 0.0000 | |
| 279 | K | A | -0.6018 | |
| 280 | F | A | 0.0000 | |
| 281 | Q | A | -2.0718 | |
| 282 | G | A | -0.9302 | |
| 283 | K | A | -0.7376 | |
| 284 | A | A | -0.2747 | |
| 285 | W | A | 0.1463 | |
| 286 | D | A | -0.1694 | |
| 287 | W | A | 0.5400 | |
| 288 | E | A | -0.5136 | |
| 289 | V | A | 0.0000 | |
| 290 | S | A | -1.4746 | |
| 291 | N | A | -2.3826 | |
| 292 | E | A | -3.0080 | |
| 293 | N | A | -2.2003 | |
| 294 | G | A | -1.9341 | |
| 295 | N | A | 0.0000 | |
| 296 | Y | A | -0.7304 | |
| 297 | D | A | 0.0000 | |
| 298 | Y | A | 0.0000 | |
| 299 | L | A | 0.5661 | |
| 300 | M | A | 0.7724 | |
| 301 | Y | A | 0.6762 | |
| 302 | A | A | 0.0000 | |
| 303 | D | A | 0.0000 | |
| 304 | I | A | 0.0000 | |
| 305 | D | A | -0.9127 | |
| 306 | Y | A | -1.3241 | |
| 307 | D | A | -2.3247 | |
| 308 | H | A | -1.5749 | |
| 309 | P | A | -1.5869 | |
| 310 | D | A | -1.9271 | |
| 311 | V | A | 0.0000 | |
| 312 | A | A | -1.4797 | |
| 313 | A | A | -1.3826 | |
| 314 | E | A | 0.0000 | |
| 315 | I | A | 0.0000 | |
| 316 | K | A | -1.7582 | |
| 317 | R | A | -2.0534 | |
| 318 | W | A | 0.0000 | |
| 319 | G | A | 0.0000 | |
| 320 | T | A | -1.6914 | |
| 321 | W | A | -1.0612 | |
| 322 | Y | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | N | A | -1.7684 | |
| 325 | E | A | -1.2697 | |
| 326 | L | A | 0.0000 | |
| 327 | Q | A | -1.8692 | |
| 328 | L | A | 0.0000 | |
| 329 | D | A | -1.1894 | |
| 330 | G | A | 0.0000 | |
| 331 | F | A | 0.0000 | |
| 332 | R | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | D | A | -0.2082 | |
| 335 | A | A | 0.0000 | |
| 336 | V | A | 0.0000 | |
| 337 | K | A | -0.7846 | |
| 338 | H | A | 0.0000 | |
| 339 | I | A | 0.0000 | |
| 340 | K | A | -1.0028 | |
| 341 | F | A | 0.0000 | |
| 342 | S | A | -1.1443 | |
| 343 | F | A | 0.0000 | |
| 344 | L | A | 0.0000 | |
| 345 | R | A | -1.4242 | |
| 346 | D | A | -1.6138 | |
| 347 | W | A | 0.0000 | |
| 348 | V | A | 0.0000 | |
| 349 | N | A | -1.9185 | |
| 350 | H | A | -2.3270 | |
| 351 | V | A | 0.0000 | |
| 352 | R | A | -3.0225 | |
| 353 | E | A | -3.5838 | |
| 354 | K | A | -3.3997 | |
| 355 | T | A | -2.5988 | |
| 356 | G | A | -2.6255 | |
| 357 | K | A | -2.8714 | |
| 358 | E | A | -2.7278 | |
| 359 | M | A | 0.0000 | |
| 360 | F | A | -0.1444 | |
| 361 | T | A | 0.0000 | |
| 362 | V | A | 0.0000 | |
| 363 | A | A | 0.0000 | |
| 364 | E | A | 0.0000 | |
| 365 | Y | A | 0.0000 | |
| 366 | W | A | 0.0000 | |
| 367 | Q | A | -1.4167 | |
| 368 | N | A | -1.9695 | |
| 369 | D | A | -2.3293 | |
| 370 | L | A | -1.6138 | |
| 371 | G | A | -1.2798 | |
| 372 | A | A | -1.8241 | |
| 373 | L | A | 0.0000 | |
| 374 | E | A | -2.0924 | |
| 375 | N | A | -2.1624 | |
| 376 | Y | A | 0.0000 | |
| 377 | L | A | 0.0000 | |
| 378 | N | A | -2.1301 | |
| 379 | K | A | -1.9697 | |
| 380 | T | A | 0.0000 | |
| 381 | N | A | -0.7372 | |
| 382 | F | A | 0.9832 | |
| 383 | H | A | 0.0000 | |
| 384 | S | A | 0.0000 | |
| 385 | V | A | 0.0000 | |
| 386 | F | A | 0.0000 | |
| 387 | D | A | 0.0000 | |
| 388 | V | A | 0.0000 | |
| 389 | P | A | 0.0000 | |
| 390 | L | A | 0.0000 | |
| 391 | H | A | 0.0000 | |
| 392 | Y | A | -0.1019 | |
| 393 | Q | A | -0.7772 | |
| 394 | F | A | 0.0000 | |
| 395 | H | A | -0.5737 | |
| 396 | A | A | -0.5870 | |
| 397 | A | A | 0.0000 | |
| 398 | S | A | 0.0000 | |
| 399 | T | A | -0.9917 | |
| 400 | Q | A | -1.5352 | |
| 401 | G | A | -1.2203 | |
| 402 | G | A | -1.2962 | |
| 403 | G | A | -1.2516 | |
| 404 | Y | A | -1.4075 | |
| 405 | D | A | -1.8488 | |
| 406 | M | A | 0.0000 | |
| 407 | R | A | -2.9680 | |
| 408 | K | A | -2.6418 | |
| 409 | L | A | 0.0000 | |
| 410 | L | A | -1.3917 | |
| 411 | N | A | -2.0559 | |
| 412 | S | A | -1.6578 | |
| 413 | T | A | 0.0000 | |
| 414 | V | A | 0.0000 | |
| 415 | V | A | 0.0000 | |
| 416 | S | A | -1.1367 | |
| 417 | K | A | -1.7993 | |
| 418 | H | A | -0.8819 | |
| 419 | P | A | -0.2405 | |
| 420 | L | A | 0.8351 | |
| 421 | K | A | 0.1018 | |
| 422 | A | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | T | A | 0.0000 | |
| 425 | F | A | 0.0000 | |
| 426 | V | A | 0.0000 | |
| 427 | D | A | 0.0000 | |
| 428 | N | A | 0.0000 | |
| 429 | H | A | 0.0000 | |
| 430 | D | A | -0.5151 | |
| 431 | T | A | 0.0000 | |
| 432 | Q | A | 0.0000 | |
| 433 | P | A | -1.8837 | |
| 434 | G | A | -1.6380 | |
| 435 | Q | A | -0.8494 | |
| 436 | S | A | -0.6075 | |
| 437 | L | A | -0.4152 | |
| 438 | E | A | -1.3183 | |
| 439 | S | A | 0.0000 | |
| 440 | T | A | -0.6257 | |
| 441 | V | A | 0.0000 | |
| 442 | Q | A | -0.8785 | |
| 443 | T | A | -0.3208 | |
| 444 | W | A | 0.0151 | |
| 445 | F | A | 0.0000 | |
| 446 | K | A | 0.0000 | |
| 447 | P | A | 0.0000 | |
| 448 | L | A | 0.0000 | |
| 449 | A | A | 0.0000 | |
| 450 | Y | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | F | A | 0.0000 | |
| 453 | I | A | 0.0000 | |
| 454 | L | A | 0.0000 | |
| 455 | T | A | 0.0000 | |
| 456 | R | A | 0.0000 | |
| 457 | E | A | -1.2195 | |
| 458 | S | A | -0.6616 | |
| 459 | G | A | -0.0582 | |
| 460 | Y | A | 0.1458 | |
| 461 | P | A | 0.0000 | |
| 462 | Q | A | 0.0000 | |
| 463 | V | A | 0.0000 | |
| 464 | F | A | 0.0000 | |
| 465 | Y | A | 0.0000 | |
| 466 | G | A | 0.0000 | |
| 467 | D | A | 0.0000 | |
| 468 | M | A | 0.0000 | |
| 469 | Y | A | 0.2699 | |
| 470 | G | A | 0.0000 | |
| 471 | T | A | 0.0000 | |
| 472 | K | A | -2.3956 | |
| 473 | G | A | -2.9309 | |
| 474 | D | A | -3.1565 | |
| 475 | S | A | -3.0037 | |
| 476 | Q | A | -3.0445 | |
| 477 | R | A | -3.6246 | |
| 478 | E | A | -3.8210 | |
| 479 | I | A | 0.0000 | |
| 480 | P | A | -1.0242 | |
| 481 | A | A | -0.6116 | |
| 482 | L | A | 0.0000 | |
| 483 | K | A | -1.8503 | |
| 484 | H | A | -2.3590 | |
| 485 | K | A | -2.5849 | |
| 486 | I | A | 0.0000 | |
| 487 | E | A | -2.0293 | |
| 488 | P | A | -1.3002 | |
| 489 | I | A | 0.0000 | |
| 490 | L | A | 0.0000 | |
| 491 | K | A | -1.4491 | |
| 492 | A | A | 0.0000 | |
| 493 | R | A | 0.0000 | |
| 494 | K | A | -1.6221 | |
| 495 | Q | A | -1.1018 | |
| 496 | Y | A | -0.7110 | |
| 497 | A | A | 0.0000 | |
| 498 | Y | A | 0.0000 | |
| 499 | G | A | -0.5276 | |
| 500 | A | A | -0.5732 | |
| 501 | Q | A | -1.1192 | |
| 502 | H | A | -1.3463 | |
| 503 | D | A | -2.0424 | |
| 504 | Y | A | -1.7237 | |
| 505 | F | A | -2.0626 | |
| 506 | D | A | -2.8037 | |
| 507 | H | A | -2.5808 | |
| 508 | H | A | -2.5488 | |
| 509 | D | A | -1.7764 | |
| 510 | I | A | 0.0000 | |
| 511 | V | A | 0.0000 | |
| 512 | G | A | 0.0000 | |
| 513 | W | A | 0.0000 | |
| 514 | T | A | 0.0000 | |
| 515 | R | A | 0.0000 | |
| 516 | E | A | -1.0108 | |
| 517 | G | A | -1.1606 | |
| 518 | D | A | -1.0537 | |
| 519 | S | A | -0.7612 | |
| 520 | S | A | -0.4349 | |
| 521 | V | A | -0.0663 | |
| 522 | A | A | -0.3110 | |
| 523 | N | A | -0.9642 | |
| 524 | S | A | 0.0000 | |
| 525 | G | A | 0.0000 | |
| 526 | L | A | 0.0000 | |
| 527 | A | A | 0.0000 | |
| 528 | A | A | 0.0000 | |
| 529 | L | A | 0.0000 | |
| 530 | I | A | 0.0000 | |
| 531 | T | A | 0.0000 | |
| 532 | D | A | 0.0000 | |
| 533 | G | A | 0.0000 | |
| 534 | P | A | -1.0213 | |
| 535 | G | A | -1.3344 | |
| 536 | G | A | -0.9860 | |
| 537 | A | A | -1.3623 | |
| 538 | K | A | -2.0095 | |
| 539 | R | A | -2.4231 | |
| 540 | M | A | 0.0000 | |
| 541 | Y | A | -1.2163 | |
| 542 | V | A | 0.0000 | |
| 543 | G | A | 0.0000 | |
| 544 | R | A | -3.2030 | |
| 545 | Q | A | -2.6585 | |
| 546 | N | A | 0.0000 | |
| 547 | A | A | -1.8891 | |
| 548 | G | A | -1.3097 | |
| 549 | E | A | -0.8387 | |
| 550 | T | A | -0.2654 | |
| 551 | W | A | 0.0000 | |
| 552 | H | A | -1.0441 | |
| 553 | D | A | -1.1615 | |
| 554 | I | A | -0.3510 | |
| 555 | T | A | -1.0452 | |
| 556 | G | A | -1.3796 | |
| 557 | N | A | -1.6434 | |
| 558 | R | A | -1.7461 | |
| 559 | S | A | -1.4245 | |
| 560 | E | A | -1.4755 | |
| 561 | P | A | -0.9870 | |
| 562 | V | A | 0.0000 | |
| 563 | V | A | 0.7867 | |
| 564 | I | A | 0.0000 | |
| 565 | N | A | -1.7786 | |
| 566 | S | A | -2.0427 | |
| 567 | E | A | -2.8920 | |
| 568 | G | A | 0.0000 | |
| 569 | W | A | -1.3552 | |
| 570 | G | A | 0.0000 | |
| 571 | E | A | -2.3924 | |
| 572 | F | A | 0.0000 | |
| 573 | H | A | -1.7510 | |
| 574 | V | A | 0.0000 | |
| 575 | N | A | -1.5939 | |
| 576 | G | A | -1.2767 | |
| 577 | G | A | -0.7786 | |
| 578 | S | A | -0.7125 | |
| 579 | V | A | 0.0000 | |
| 580 | S | A | 0.0000 | |
| 581 | I | A | 0.0000 | |
| 582 | Y | A | 0.0000 | |
| 583 | V | A | 0.0000 | |
| 584 | Q | A | -1.0308 | |
| 585 | R | A | -2.1503 | |
| 586 | H | A | -2.1018 | |
| 587 | H | A | -2.4007 | |
| 588 | H | A | -2.6250 | |
| 589 | H | A | -2.5149 | |
| 590 | H | A | -2.3368 | |
| 591 | H | A | -1.8465 |
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 | -0.639 | 4.197 | View | CSV | PDB |
| 4.5 | -0.6947 | 4.1688 | View | CSV | PDB |
| 5.0 | -0.7625 | 4.1265 | View | CSV | PDB |
| 5.5 | -0.8296 | 4.079 | View | CSV | PDB |
| 6.0 | -0.8828 | 4.0392 | View | CSV | PDB |
| 6.5 | -0.9147 | 4.0199 | View | CSV | PDB |
| 7.0 | -0.9288 | 4.0241 | View | CSV | PDB |
| 7.5 | -0.9337 | 4.0379 | View | CSV | PDB |
| 8.0 | -0.9343 | 4.0479 | View | CSV | PDB |
| 8.5 | -0.9299 | 4.0523 | View | CSV | PDB |
| 9.0 | -0.9179 | 4.0538 | 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