| Chain sequence(s) |
A: MALHRLAFIFLCLPLMASAAPFTSPGDRDLIRDRQQRLLDEQRKRLEELQQLPGKGAPAAADASGGDERCFEIRRIELEGAGHLGESARRQLLAPYQGRCLGVGQLNALLKAVTDHYLDRGYVTTRAYLPQQDLASGTLRIIVVEGRLEGLDSSALASPRELTMSFPGRTGELLDLRELEQLVDQLSRLPSRQAQLELVPGSEVGGSRVRLKGERDKPWRVSATRNNDGDVSTGEQQMGLGLDWDSPLGLADQLNLRANRDAVTDRWRHSDSQSLFYSLPWGWWTFTYGYSQSDYRTRNEASGFPFKLDGDSRSHQFRAERVLHRDGVSKTAMSLGLSHQRTNNYVEDTRLEDQSTRITETQLGFNHGRRIGSGFVNLDLGWQQGIGALGAQGRGHPQAGDPNARYDKYSLTLSYLQPFQLWGERFSFDSLATGQRSEDVLFSPQRISLGGNSSVRGFKDQTLTGDSGGYWRNQLRWRRAVEWAPLRPWLQEYGVAFAYDVGVIRHDRYNDGASGRMSGNAIELDARGRYFAASVGFARSLERPSAIERREHPIYFRVDAFF
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:12:19)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/1a2decf3ee88604/tmp/folded.pdb (00:12:19)
[INFO] Main: Simulation completed successfully. (00:19:25)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 1.3733 | |
| 2 | A | A | 0.8262 | |
| 3 | L | A | 1.0428 | |
| 4 | H | A | -0.5443 | |
| 5 | R | A | -0.8405 | |
| 6 | L | A | 1.4328 | |
| 7 | A | A | 1.9494 | |
| 8 | F | A | 3.9357 | |
| 9 | I | A | 4.7103 | |
| 10 | F | A | 4.7110 | |
| 11 | L | A | 4.1665 | |
| 12 | C | A | 3.2455 | |
| 13 | L | A | 3.0985 | |
| 14 | P | A | 1.9084 | |
| 15 | L | A | 2.4295 | |
| 16 | M | A | 1.9891 | |
| 17 | A | A | 0.5778 | |
| 18 | S | A | -0.3572 | |
| 19 | A | A | 0.0469 | |
| 20 | A | A | -0.2345 | |
| 21 | P | A | 0.4415 | |
| 22 | F | A | 1.5631 | |
| 23 | T | A | 0.6497 | |
| 24 | S | A | 0.0000 | |
| 25 | P | A | -0.0593 | |
| 26 | G | A | -0.5743 | |
| 27 | D | A | 0.0000 | |
| 28 | R | A | -0.5231 | |
| 29 | D | A | -0.7005 | |
| 30 | L | A | -0.6708 | |
| 31 | I | A | 0.0000 | |
| 32 | R | A | 0.0000 | |
| 33 | D | A | -1.1352 | |
| 34 | R | A | -1.3356 | |
| 35 | Q | A | 0.0000 | |
| 36 | Q | A | -1.5404 | |
| 37 | R | A | -1.9018 | |
| 38 | L | A | -1.4504 | |
| 39 | L | A | -1.5085 | |
| 40 | D | A | -2.5769 | |
| 41 | E | A | -3.2734 | |
| 42 | Q | A | 0.0000 | |
| 43 | R | A | -2.8063 | |
| 44 | K | A | -3.5794 | |
| 45 | R | A | -2.5571 | |
| 46 | L | A | 0.0000 | |
| 47 | E | A | -3.3587 | |
| 48 | E | A | -2.5842 | |
| 49 | L | A | 0.0000 | |
| 50 | Q | A | -2.2600 | |
| 51 | Q | A | -2.0876 | |
| 52 | L | A | 0.0000 | |
| 53 | P | A | -1.3280 | |
| 54 | G | A | -1.6431 | |
| 55 | K | A | -2.2048 | |
| 56 | G | A | -1.5270 | |
| 57 | A | A | -0.7138 | |
| 58 | P | A | -0.5310 | |
| 59 | A | A | -0.3183 | |
| 60 | A | A | -0.4696 | |
| 61 | A | A | -0.8143 | |
| 62 | D | A | -1.8574 | |
| 63 | A | A | -1.3263 | |
| 64 | S | A | -1.3232 | |
| 65 | G | A | -1.3839 | |
| 66 | G | A | -1.6807 | |
| 67 | D | A | -2.2986 | |
| 68 | E | A | -2.9851 | |
| 69 | R | A | -2.3649 | |
| 70 | C | A | -1.0334 | |
| 71 | F | A | -0.5168 | |
| 72 | E | A | -2.4886 | |
| 73 | I | A | 0.0000 | |
| 74 | R | A | -3.7198 | |
| 75 | R | A | -3.8535 | |
| 76 | I | A | -2.6956 | |
| 77 | E | A | -2.7175 | |
| 78 | L | A | 0.0000 | |
| 79 | E | A | -2.4140 | |
| 80 | G | A | -1.2339 | |
| 81 | A | A | 0.0000 | |
| 82 | G | A | -1.5368 | |
| 83 | H | A | -1.5101 | |
| 84 | L | A | 0.0000 | |
| 85 | G | A | -1.9474 | |
| 86 | E | A | -3.0111 | |
| 87 | S | A | -2.1894 | |
| 88 | A | A | -1.9733 | |
| 89 | R | A | -2.6030 | |
| 90 | R | A | -3.1991 | |
| 91 | Q | A | -2.4315 | |
| 92 | L | A | -1.3957 | |
| 93 | L | A | 0.0000 | |
| 94 | A | A | -1.3637 | |
| 95 | P | A | -1.0494 | |
| 96 | Y | A | -1.4889 | |
| 97 | Q | A | -2.7523 | |
| 98 | G | A | -2.9025 | |
| 99 | R | A | -3.0031 | |
| 100 | C | A | -1.5610 | |
| 101 | L | A | 0.0000 | |
| 102 | G | A | 0.0000 | |
| 103 | V | A | 0.5827 | |
| 104 | G | A | -0.5248 | |
| 105 | Q | A | -0.8608 | |
| 106 | L | A | 0.0000 | |
| 107 | N | A | -0.9917 | |
| 108 | A | A | -1.1342 | |
| 109 | L | A | 0.0000 | |
| 110 | L | A | -0.6960 | |
| 111 | K | A | -1.5599 | |
| 112 | A | A | -0.7251 | |
| 113 | V | A | 0.0000 | |
| 114 | T | A | -0.9310 | |
| 115 | D | A | -1.3632 | |
| 116 | H | A | -1.1041 | |
| 117 | Y | A | 0.0000 | |
| 118 | L | A | -0.6840 | |
| 119 | D | A | -2.1368 | |
| 120 | R | A | -1.4663 | |
| 121 | G | A | -0.9152 | |
| 122 | Y | A | -0.4163 | |
| 123 | V | A | 0.0353 | |
| 124 | T | A | -0.2003 | |
| 125 | T | A | 0.0000 | |
| 126 | R | A | -1.0079 | |
| 127 | A | A | -0.4641 | |
| 128 | Y | A | 0.5207 | |
| 129 | L | A | 0.3716 | |
| 130 | P | A | -0.5580 | |
| 131 | Q | A | -1.6175 | |
| 132 | Q | A | -1.8589 | |
| 133 | D | A | -2.2530 | |
| 134 | L | A | -1.4266 | |
| 135 | A | A | -0.7016 | |
| 136 | S | A | -1.1951 | |
| 137 | G | A | 0.0000 | |
| 138 | T | A | -2.3524 | |
| 139 | L | A | 0.0000 | |
| 140 | R | A | -2.4830 | |
| 141 | I | A | 0.0000 | |
| 142 | I | A | -0.5865 | |
| 143 | V | A | 0.0000 | |
| 144 | V | A | -0.2186 | |
| 145 | E | A | -0.7614 | |
| 146 | G | A | 0.0000 | |
| 147 | R | A | -2.3235 | |
| 148 | L | A | 0.0000 | |
| 149 | E | A | -2.1061 | |
| 150 | G | A | 0.0000 | |
| 151 | L | A | -0.6915 | |
| 152 | D | A | -0.8256 | |
| 153 | S | A | -0.5406 | |
| 154 | S | A | -1.0663 | |
| 155 | A | A | -0.9611 | |
| 156 | L | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | S | A | -0.8280 | |
| 159 | P | A | -1.1875 | |
| 160 | R | A | -1.7711 | |
| 161 | E | A | 0.0000 | |
| 162 | L | A | 0.0000 | |
| 163 | T | A | -0.7020 | |
| 164 | M | A | 0.1508 | |
| 165 | S | A | 0.0000 | |
| 166 | F | A | 0.0137 | |
| 167 | P | A | -0.2502 | |
| 168 | G | A | -1.3620 | |
| 169 | R | A | -2.6002 | |
| 170 | T | A | -1.9728 | |
| 171 | G | A | -1.9734 | |
| 172 | E | A | -2.6274 | |
| 173 | L | A | -1.6551 | |
| 174 | L | A | 0.0000 | |
| 175 | D | A | -0.8001 | |
| 176 | L | A | -0.1768 | |
| 177 | R | A | -1.1731 | |
| 178 | E | A | -0.8079 | |
| 179 | L | A | 0.0000 | |
| 180 | E | A | -0.7856 | |
| 181 | Q | A | 0.0000 | |
| 182 | L | A | 0.0000 | |
| 183 | V | A | -0.6454 | |
| 184 | D | A | -0.8949 | |
| 185 | Q | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | S | A | -1.0725 | |
| 188 | R | A | -1.1492 | |
| 189 | L | A | 0.0000 | |
| 190 | P | A | -1.1719 | |
| 191 | S | A | 0.0000 | |
| 192 | R | A | 0.0000 | |
| 193 | Q | A | -2.9870 | |
| 194 | A | A | -2.4041 | |
| 195 | Q | A | -2.4784 | |
| 196 | L | A | -1.2324 | |
| 197 | E | A | -1.4091 | |
| 198 | L | A | -0.2110 | |
| 199 | V | A | -0.2867 | |
| 200 | P | A | -0.4342 | |
| 201 | G | A | -1.0480 | |
| 202 | S | A | -1.0414 | |
| 203 | E | A | -1.4611 | |
| 204 | V | A | 0.5738 | |
| 205 | G | A | -0.4179 | |
| 206 | G | A | -1.3204 | |
| 207 | S | A | 0.0000 | |
| 208 | R | A | -1.4545 | |
| 209 | V | A | 0.0000 | |
| 210 | R | A | -2.0032 | |
| 211 | L | A | 0.0000 | |
| 212 | K | A | -2.9621 | |
| 213 | G | A | -3.1553 | |
| 214 | E | A | -4.1778 | |
| 215 | R | A | -4.4129 | |
| 216 | D | A | -4.0806 | |
| 217 | K | A | -2.6449 | |
| 218 | P | A | -1.1779 | |
| 219 | W | A | 0.6075 | |
| 220 | R | A | 0.8188 | |
| 221 | V | A | 1.6548 | |
| 222 | S | A | 1.2545 | |
| 223 | A | A | 0.5497 | |
| 224 | T | A | -0.6344 | |
| 225 | R | A | -2.0018 | |
| 226 | N | A | -1.4595 | |
| 227 | N | A | -0.9718 | |
| 228 | D | A | -1.0236 | |
| 229 | G | A | 0.0000 | |
| 230 | D | A | 0.0000 | |
| 231 | V | A | -0.1929 | |
| 232 | S | A | -0.6269 | |
| 233 | T | A | 0.0000 | |
| 234 | G | A | 0.0000 | |
| 235 | E | A | -0.9584 | |
| 236 | Q | A | -0.8036 | |
| 237 | Q | A | -1.3841 | |
| 238 | M | A | -0.8630 | |
| 239 | G | A | 0.0000 | |
| 240 | L | A | 0.3672 | |
| 241 | G | A | 0.0000 | |
| 242 | L | A | 1.1787 | |
| 243 | D | A | 0.5422 | |
| 244 | W | A | 0.9232 | |
| 245 | D | A | 0.0000 | |
| 246 | S | A | 0.7505 | |
| 247 | P | A | 0.9448 | |
| 248 | L | A | 1.4630 | |
| 249 | G | A | 0.3032 | |
| 250 | L | A | 0.3481 | |
| 251 | A | A | 0.0000 | |
| 252 | D | A | 0.0000 | |
| 253 | Q | A | 0.5426 | |
| 254 | L | A | 1.1079 | |
| 255 | N | A | 0.6369 | |
| 256 | L | A | 0.6925 | |
| 257 | R | A | -0.3707 | |
| 258 | A | A | -0.7785 | |
| 259 | N | A | -1.4478 | |
| 260 | R | A | -1.5699 | |
| 261 | D | A | 0.0000 | |
| 262 | A | A | -0.0961 | |
| 263 | V | A | 1.1133 | |
| 264 | T | A | -0.4895 | |
| 265 | D | A | -1.4799 | |
| 266 | R | A | -2.6018 | |
| 267 | W | A | -2.0350 | |
| 268 | R | A | -1.9129 | |
| 269 | H | A | -1.6458 | |
| 270 | S | A | 0.0000 | |
| 271 | D | A | -1.7154 | |
| 272 | S | A | 0.0000 | |
| 273 | Q | A | -1.4520 | |
| 274 | S | A | 0.0000 | |
| 275 | L | A | 0.7713 | |
| 276 | F | A | 1.1160 | |
| 277 | Y | A | 1.2742 | |
| 278 | S | A | 0.0000 | |
| 279 | L | A | 1.1512 | |
| 280 | P | A | 0.0000 | |
| 281 | W | A | 1.3111 | |
| 282 | G | A | 0.0000 | |
| 283 | W | A | 0.4039 | |
| 284 | W | A | 0.8518 | |
| 285 | T | A | 0.6238 | |
| 286 | F | A | 1.2249 | |
| 287 | T | A | 0.8077 | |
| 288 | Y | A | 1.1162 | |
| 289 | G | A | 0.6041 | |
| 290 | Y | A | 0.2535 | |
| 291 | S | A | -0.5902 | |
| 292 | Q | A | -1.1897 | |
| 293 | S | A | -1.3527 | |
| 294 | D | A | -1.4511 | |
| 295 | Y | A | 0.0000 | |
| 296 | R | A | -1.7996 | |
| 297 | T | A | 0.0000 | |
| 298 | R | A | -2.2041 | |
| 299 | N | A | -1.6219 | |
| 300 | E | A | -1.8304 | |
| 301 | A | A | -0.5490 | |
| 302 | S | A | -0.2515 | |
| 303 | G | A | -0.1828 | |
| 304 | F | A | 1.0293 | |
| 305 | P | A | -0.3564 | |
| 306 | F | A | -0.9555 | |
| 307 | K | A | -2.1716 | |
| 308 | L | A | 0.0000 | |
| 309 | D | A | -1.6590 | |
| 310 | G | A | 0.0000 | |
| 311 | D | A | -1.0717 | |
| 312 | S | A | 0.0000 | |
| 313 | R | A | -1.5249 | |
| 314 | S | A | -0.9404 | |
| 315 | H | A | -0.3217 | |
| 316 | Q | A | 0.1117 | |
| 317 | F | A | 1.1380 | |
| 318 | R | A | 0.6202 | |
| 319 | A | A | 0.7150 | |
| 320 | E | A | 0.2790 | |
| 321 | R | A | 0.0736 | |
| 322 | V | A | 0.0000 | |
| 323 | L | A | 0.3081 | |
| 324 | H | A | -1.0474 | |
| 325 | R | A | 0.0000 | |
| 326 | D | A | -2.0337 | |
| 327 | G | A | -1.5808 | |
| 328 | V | A | -0.7215 | |
| 329 | S | A | -0.8061 | |
| 330 | K | A | -0.9702 | |
| 331 | T | A | -0.4603 | |
| 332 | A | A | 0.0000 | |
| 333 | M | A | 0.7862 | |
| 334 | S | A | 0.0000 | |
| 335 | L | A | 1.5602 | |
| 336 | G | A | 0.9296 | |
| 337 | L | A | 0.7830 | |
| 338 | S | A | 0.1256 | |
| 339 | H | A | 0.0000 | |
| 340 | Q | A | 0.0000 | |
| 341 | R | A | -1.3288 | |
| 342 | T | A | 0.0000 | |
| 343 | N | A | 0.0000 | |
| 344 | N | A | 0.0000 | |
| 345 | Y | A | -1.7466 | |
| 346 | V | A | -1.4546 | |
| 347 | E | A | -2.5629 | |
| 348 | D | A | -2.8348 | |
| 349 | T | A | -2.1447 | |
| 350 | R | A | -2.7346 | |
| 351 | L | A | -2.0717 | |
| 352 | E | A | -3.0726 | |
| 353 | D | A | -2.9445 | |
| 354 | Q | A | -1.6415 | |
| 355 | S | A | -1.8583 | |
| 356 | T | A | 0.0000 | |
| 357 | R | A | -1.1329 | |
| 358 | I | A | 0.0000 | |
| 359 | T | A | 0.0000 | |
| 360 | E | A | 0.0000 | |
| 361 | T | A | 0.4488 | |
| 362 | Q | A | 0.0000 | |
| 363 | L | A | 1.2512 | |
| 364 | G | A | 1.1606 | |
| 365 | F | A | 1.3314 | |
| 366 | N | A | 0.0000 | |
| 367 | H | A | -0.1802 | |
| 368 | G | A | 0.0000 | |
| 369 | R | A | -0.8446 | |
| 370 | R | A | -0.4385 | |
| 371 | I | A | 0.7180 | |
| 372 | G | A | -0.2913 | |
| 373 | S | A | -0.2232 | |
| 374 | G | A | 0.0000 | |
| 375 | F | A | 0.0000 | |
| 376 | V | A | 0.2706 | |
| 377 | N | A | 0.0000 | |
| 378 | L | A | 0.7229 | |
| 379 | D | A | 0.8106 | |
| 380 | L | A | 1.6104 | |
| 381 | G | A | 1.1697 | |
| 382 | W | A | 0.7471 | |
| 383 | Q | A | -0.0951 | |
| 384 | Q | A | -0.4525 | |
| 385 | G | A | 0.0000 | |
| 386 | I | A | -0.3826 | |
| 387 | G | A | -0.7333 | |
| 388 | A | A | 0.4938 | |
| 389 | L | A | 1.1668 | |
| 390 | G | A | -0.0397 | |
| 391 | A | A | -0.7536 | |
| 392 | Q | A | -1.4561 | |
| 393 | G | A | -2.2586 | |
| 394 | R | A | -3.0437 | |
| 395 | G | A | -2.3647 | |
| 396 | H | A | -2.1819 | |
| 397 | P | A | -2.0022 | |
| 398 | Q | A | -1.8037 | |
| 399 | A | A | -1.1306 | |
| 400 | G | A | -1.1729 | |
| 401 | D | A | -1.3018 | |
| 402 | P | A | -1.1500 | |
| 403 | N | A | -1.9141 | |
| 404 | A | A | 0.0000 | |
| 405 | R | A | -2.1240 | |
| 406 | Y | A | 0.0000 | |
| 407 | D | A | -1.3737 | |
| 408 | K | A | 0.0000 | |
| 409 | Y | A | -0.0530 | |
| 410 | S | A | 0.3816 | |
| 411 | L | A | 1.2877 | |
| 412 | T | A | 0.0000 | |
| 413 | L | A | 1.0626 | |
| 414 | S | A | 0.0000 | |
| 415 | Y | A | 0.3284 | |
| 416 | L | A | 0.0000 | |
| 417 | Q | A | 0.4006 | |
| 418 | P | A | 0.0024 | |
| 419 | F | A | -0.0177 | |
| 420 | Q | A | -0.8330 | |
| 421 | L | A | 0.3685 | |
| 422 | W | A | 0.7325 | |
| 423 | G | A | -0.4147 | |
| 424 | E | A | -1.0365 | |
| 425 | R | A | -1.7207 | |
| 426 | F | A | -0.4399 | |
| 427 | S | A | 0.0000 | |
| 428 | F | A | 1.1902 | |
| 429 | D | A | 0.0000 | |
| 430 | S | A | 0.5507 | |
| 431 | L | A | 0.0000 | |
| 432 | A | A | 0.7610 | |
| 433 | T | A | 0.6516 | |
| 434 | G | A | 0.1890 | |
| 435 | Q | A | -0.5041 | |
| 436 | R | A | -2.0348 | |
| 437 | S | A | 0.0000 | |
| 438 | E | A | -2.3418 | |
| 439 | D | A | -1.7021 | |
| 440 | V | A | -0.9002 | |
| 441 | L | A | 0.0000 | |
| 442 | F | A | 0.0349 | |
| 443 | S | A | 0.0000 | |
| 444 | P | A | 0.0000 | |
| 445 | Q | A | 0.0000 | |
| 446 | R | A | 0.0000 | |
| 447 | I | A | 0.0000 | |
| 448 | S | A | 0.0000 | |
| 449 | L | A | 0.0000 | |
| 450 | G | A | 0.0000 | |
| 451 | G | A | 0.0000 | |
| 452 | N | A | -0.4763 | |
| 453 | S | A | 0.0000 | |
| 454 | S | A | 0.0000 | |
| 455 | V | A | 0.0000 | |
| 456 | R | A | 0.0000 | |
| 457 | G | A | 0.0000 | |
| 458 | F | A | 0.0000 | |
| 459 | K | A | 0.0000 | |
| 460 | D | A | -1.3716 | |
| 461 | Q | A | -1.3867 | |
| 462 | T | A | -0.3820 | |
| 463 | L | A | 0.0000 | |
| 464 | T | A | 0.0151 | |
| 465 | G | A | 0.0000 | |
| 466 | D | A | 0.0000 | |
| 467 | S | A | 0.0000 | |
| 468 | G | A | -1.1864 | |
| 469 | G | A | -0.2292 | |
| 470 | Y | A | 0.0000 | |
| 471 | W | A | 1.1757 | |
| 472 | R | A | 0.4350 | |
| 473 | N | A | 0.8315 | |
| 474 | Q | A | 1.1546 | |
| 475 | L | A | 1.9345 | |
| 476 | R | A | 0.7135 | |
| 477 | W | A | -0.0360 | |
| 478 | R | A | -1.7534 | |
| 479 | R | A | -1.9275 | |
| 480 | A | A | -1.7036 | |
| 481 | V | A | 0.0000 | |
| 482 | E | A | -1.6360 | |
| 483 | W | A | 0.1426 | |
| 484 | A | A | -0.2340 | |
| 485 | P | A | -0.0598 | |
| 486 | L | A | 0.0938 | |
| 487 | R | A | -1.0608 | |
| 488 | P | A | -0.3067 | |
| 489 | W | A | 0.5699 | |
| 490 | L | A | -0.3478 | |
| 491 | Q | A | -1.4783 | |
| 492 | E | A | -2.1981 | |
| 493 | Y | A | -0.8288 | |
| 494 | G | A | -0.7754 | |
| 495 | V | A | 0.9880 | |
| 496 | A | A | 0.0000 | |
| 497 | F | A | 2.8450 | |
| 498 | A | A | 0.0000 | |
| 499 | Y | A | 1.4084 | |
| 500 | D | A | 0.0000 | |
| 501 | V | A | 0.2893 | |
| 502 | G | A | 0.0000 | |
| 503 | V | A | -0.5221 | |
| 504 | I | A | 0.0000 | |
| 505 | R | A | -2.7853 | |
| 506 | H | A | -2.6261 | |
| 507 | D | A | 0.0000 | |
| 508 | R | A | -2.7716 | |
| 509 | Y | A | -1.6762 | |
| 510 | N | A | 0.0000 | |
| 511 | D | A | -2.9914 | |
| 512 | G | A | -1.7087 | |
| 513 | A | A | -1.1338 | |
| 514 | S | A | -1.7383 | |
| 515 | G | A | -1.9502 | |
| 516 | R | A | -2.1992 | |
| 517 | M | A | 0.0000 | |
| 518 | S | A | 0.0000 | |
| 519 | G | A | 0.0000 | |
| 520 | N | A | 0.1115 | |
| 521 | A | A | 0.0000 | |
| 522 | I | A | 1.8307 | |
| 523 | E | A | 1.3791 | |
| 524 | L | A | 1.2887 | |
| 525 | D | A | -0.6026 | |
| 526 | A | A | -0.6091 | |
| 527 | R | A | -1.2800 | |
| 528 | G | A | 0.0000 | |
| 529 | R | A | -0.8345 | |
| 530 | Y | A | 1.6414 | |
| 531 | F | A | 1.6458 | |
| 532 | A | A | -0.0686 | |
| 533 | A | A | -0.2036 | |
| 534 | S | A | -0.0603 | |
| 535 | V | A | 1.1978 | |
| 536 | G | A | 0.0000 | |
| 537 | F | A | 1.4168 | |
| 538 | A | A | 0.0000 | |
| 539 | R | A | -2.1276 | |
| 540 | S | A | 0.0000 | |
| 541 | L | A | -1.3587 | |
| 542 | E | A | -2.7146 | |
| 543 | R | A | -2.8057 | |
| 544 | P | A | -1.8004 | |
| 545 | S | A | -1.3485 | |
| 546 | A | A | -1.1041 | |
| 547 | I | A | 0.0000 | |
| 548 | E | A | -3.2705 | |
| 549 | R | A | -3.8982 | |
| 550 | R | A | -3.8898 | |
| 551 | E | A | 0.0000 | |
| 552 | H | A | -1.4641 | |
| 553 | P | A | -0.3955 | |
| 554 | I | A | 1.2375 | |
| 555 | Y | A | 0.0000 | |
| 556 | F | A | 0.4244 | |
| 557 | R | A | -1.1313 | |
| 558 | V | A | -0.4422 | |
| 559 | D | A | -0.0265 | |
| 560 | A | A | 1.0949 | |
| 561 | F | A | 1.9203 | |
| 562 | F | A | 2.4462 |
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 | -0.3233 | 8.6564 | View | CSV | PDB |
| 4.5 | -0.378 | 8.6564 | View | CSV | PDB |
| 5.0 | -0.4462 | 8.6564 | View | CSV | PDB |
| 5.5 | -0.5176 | 8.6564 | View | CSV | PDB |
| 6.0 | -0.5828 | 8.6564 | View | CSV | PDB |
| 6.5 | -0.6361 | 8.6564 | View | CSV | PDB |
| 7.0 | -0.6759 | 8.6564 | View | CSV | PDB |
| 7.5 | -0.7049 | 8.6564 | View | CSV | PDB |
| 8.0 | -0.7268 | 8.6564 | View | CSV | PDB |
| 8.5 | -0.7421 | 8.6564 | View | CSV | PDB |
| 9.0 | -0.7497 | 8.6564 | 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