| Chain sequence(s) |
A: MSDEGPGTGPGNGLGEKGDTSGPEGSGGSGPQRRGGDNHGRGRGRGRGRGGGRPGAPGGSGSGPRHRDGVRRPQKRPSCIGCKGTHGGTGAGAGAGGAGAGGAGAGGGAGAGGGAGGAGGAGGAGAGGGAGAGGGAGGAGGAGAGGGAGAGGGAGGAGAGGGAGGAGGAGAGGGAGAGGGAGGAGAGGGAGGAGGAGAGGGAGAGGAGGAGGAGAGGAGAGGGAGGAGGAGAGGAGAGGAGAGGAGAGGAGGAGAGGAGGAGAGGAGGAGAGGGAGGAGAGGGAGGAGAGGAGGAGAGGAGGAGAGGAGGAGAGGGAGAGGAGAGGGGRGRGGSGGRGRGGSGGRGRGGSGGRRGRGRERARGGSRERARGRGRGRGEKRPRSPSSQSSSSGSPPRRPPPGRRPFFHPVGEADYFEYHQEGGPDGEPDVPPGAIEQGPADDPGEGPSTGPRGQGDGGRRKKGGWFGKHRGQGGSNPKFENIAEGLRALLARSHVERTTDEGTWVAGVFVYGGSKTSLYNLRRGTALAIPQCRLTPLSRLPFGMAPGPGPQPGPLRESIVCYFMVFLQTHIFAEVLKDAIKDLVMTKPAPTCNIRVTVCSFDDGVDLPPWFPPMVEGAAAEGDDGDDGDEGGDGDEGEEGQE
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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:05:33)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b8b35c9450c10e7/tmp/folded.pdb (00:05:33)
[INFO] Main: Simulation completed successfully. (00:09:15)
|
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 | 0.5505 | |
| 2 | S | A | -1.0183 | |
| 3 | D | A | -2.7067 | |
| 4 | E | A | -3.0766 | |
| 5 | G | A | -1.9487 | |
| 6 | P | A | -1.1941 | |
| 7 | G | A | -0.8238 | |
| 8 | T | A | -0.6941 | |
| 9 | G | A | -0.8547 | |
| 10 | P | A | -1.0389 | |
| 11 | G | A | -1.4534 | |
| 12 | N | A | -1.4687 | |
| 13 | G | A | -0.7537 | |
| 14 | L | A | 0.3898 | |
| 15 | G | A | -1.0652 | |
| 16 | E | A | -2.9318 | |
| 17 | K | A | -3.3706 | |
| 18 | G | A | -2.8070 | |
| 19 | D | A | -2.7115 | |
| 20 | T | A | -1.2484 | |
| 21 | S | A | -0.9166 | |
| 22 | G | A | -1.1209 | |
| 23 | P | A | -1.5397 | |
| 24 | E | A | -2.3146 | |
| 25 | G | A | -1.6107 | |
| 26 | S | A | -1.1727 | |
| 27 | G | A | -0.9709 | |
| 28 | G | A | -0.9715 | |
| 29 | S | A | -0.8366 | |
| 30 | G | A | -1.0919 | |
| 31 | P | A | -1.5454 | |
| 32 | Q | A | -2.7473 | |
| 33 | R | A | -3.5284 | |
| 34 | R | A | -3.3495 | |
| 35 | G | A | -2.4118 | |
| 36 | G | A | -2.3170 | |
| 37 | D | A | -3.0214 | |
| 38 | N | A | -3.1384 | |
| 39 | H | A | -2.7948 | |
| 40 | G | A | -2.5391 | |
| 41 | R | A | -3.2600 | |
| 42 | G | A | -2.7147 | |
| 43 | R | A | -3.3345 | |
| 44 | G | A | -2.8403 | |
| 45 | R | A | -3.1756 | |
| 46 | G | A | -2.8276 | |
| 47 | R | A | -3.1285 | |
| 48 | G | A | -2.5677 | |
| 49 | R | A | -2.9095 | |
| 50 | G | A | -2.1162 | |
| 51 | G | A | -2.0675 | |
| 52 | G | A | -2.0280 | |
| 53 | R | A | -2.5518 | |
| 54 | P | A | -1.5549 | |
| 55 | G | A | -1.0190 | |
| 56 | A | A | -0.5136 | |
| 57 | P | A | -0.6523 | |
| 58 | G | A | -0.8632 | |
| 59 | G | A | -0.9572 | |
| 60 | S | A | -0.8326 | |
| 61 | G | A | -0.9130 | |
| 62 | S | A | -1.0338 | |
| 63 | G | A | -1.2076 | |
| 64 | P | A | -1.9211 | |
| 65 | R | A | -3.2796 | |
| 66 | H | A | -3.3214 | |
| 67 | R | A | -3.8241 | |
| 68 | D | A | -3.1889 | |
| 69 | G | A | -1.4088 | |
| 70 | V | A | -0.1484 | |
| 71 | R | A | -2.3626 | |
| 72 | R | A | -2.8647 | |
| 73 | P | A | -2.5686 | |
| 74 | Q | A | -3.1797 | |
| 75 | K | A | -3.5141 | |
| 76 | R | A | -3.0546 | |
| 77 | P | A | -1.3607 | |
| 78 | S | A | -0.2841 | |
| 79 | C | A | 1.2764 | |
| 80 | I | A | 1.9885 | |
| 81 | G | A | 0.0897 | |
| 82 | C | A | -0.3221 | |
| 83 | K | A | -1.9249 | |
| 84 | G | A | -1.4351 | |
| 85 | T | A | -1.2953 | |
| 86 | H | A | -1.6578 | |
| 87 | G | A | -1.3104 | |
| 88 | G | A | -1.1252 | |
| 89 | T | A | -0.7908 | |
| 90 | G | A | -0.7654 | |
| 91 | A | A | -0.4559 | |
| 92 | G | A | -0.6353 | |
| 93 | A | A | -0.4290 | |
| 94 | G | A | -0.6189 | |
| 95 | A | A | -0.5599 | |
| 96 | G | A | -0.7669 | |
| 97 | G | A | -0.7660 | |
| 98 | A | A | -0.5735 | |
| 99 | G | A | -0.6201 | |
| 100 | A | A | -0.5135 | |
| 101 | G | A | -0.7580 | |
| 102 | G | A | -0.7496 | |
| 103 | A | A | -0.5019 | |
| 104 | G | A | -0.5973 | |
| 105 | A | A | -0.5042 | |
| 106 | G | A | -0.8673 | |
| 107 | G | A | -0.9171 | |
| 108 | G | A | -0.8616 | |
| 109 | A | A | -0.5006 | |
| 110 | G | A | -0.5974 | |
| 111 | A | A | -0.4950 | |
| 112 | G | A | -0.8633 | |
| 113 | G | A | -0.9223 | |
| 114 | G | A | -0.8734 | |
| 115 | A | A | -0.6075 | |
| 116 | G | A | -0.7449 | |
| 117 | G | A | -0.8042 | |
| 118 | A | A | -0.6175 | |
| 119 | G | A | -0.7509 | |
| 120 | G | A | -0.8549 | |
| 121 | A | A | -0.6190 | |
| 122 | G | A | -0.7816 | |
| 123 | G | A | -0.8232 | |
| 124 | A | A | -0.5055 | |
| 125 | G | A | -0.5974 | |
| 126 | A | A | -0.4952 | |
| 127 | G | A | -0.8723 | |
| 128 | G | A | -0.9350 | |
| 129 | G | A | -0.9000 | |
| 130 | A | A | -0.5115 | |
| 131 | G | A | -0.6172 | |
| 132 | A | A | -0.5013 | |
| 133 | G | A | -0.8714 | |
| 134 | G | A | -0.9267 | |
| 135 | G | A | -0.8897 | |
| 136 | A | A | -0.6140 | |
| 137 | G | A | -0.7792 | |
| 138 | G | A | -0.8314 | |
| 139 | A | A | -0.6257 | |
| 140 | G | A | -0.8305 | |
| 141 | G | A | -0.8397 | |
| 142 | A | A | -0.5762 | |
| 143 | G | A | -0.6707 | |
| 144 | A | A | -0.5143 | |
| 145 | G | A | -0.8688 | |
| 146 | G | A | -0.9303 | |
| 147 | G | A | -0.8942 | |
| 148 | A | A | -0.5118 | |
| 149 | G | A | -0.6042 | |
| 150 | A | A | -0.5033 | |
| 151 | G | A | -0.8846 | |
| 152 | G | A | -0.9290 | |
| 153 | G | A | -0.8754 | |
| 154 | A | A | -0.6092 | |
| 155 | G | A | -0.7672 | |
| 156 | G | A | -0.7643 | |
| 157 | A | A | -0.4962 | |
| 158 | G | A | -0.6078 | |
| 159 | A | A | -0.4922 | |
| 160 | G | A | -0.8861 | |
| 161 | G | A | -0.9291 | |
| 162 | G | A | -0.8723 | |
| 163 | A | A | -0.6097 | |
| 164 | G | A | -0.7698 | |
| 165 | G | A | -0.7802 | |
| 166 | A | A | -0.6192 | |
| 167 | G | A | -0.7563 | |
| 168 | G | A | -0.7506 | |
| 169 | A | A | -0.4934 | |
| 170 | G | A | -0.5977 | |
| 171 | A | A | -0.5067 | |
| 172 | G | A | -0.8834 | |
| 173 | G | A | -0.9854 | |
| 174 | G | A | -0.8996 | |
| 175 | A | A | -0.5184 | |
| 176 | G | A | -0.6711 | |
| 177 | A | A | -0.5080 | |
| 178 | G | A | -0.8734 | |
| 179 | G | A | -0.9216 | |
| 180 | G | A | -0.8753 | |
| 181 | A | A | -0.6061 | |
| 182 | G | A | -0.7549 | |
| 183 | G | A | -0.7499 | |
| 184 | A | A | -0.4777 | |
| 185 | G | A | -0.5919 | |
| 186 | A | A | -0.4843 | |
| 187 | G | A | -0.8733 | |
| 188 | G | A | -0.9256 | |
| 189 | G | A | -0.8653 | |
| 190 | A | A | -0.6016 | |
| 191 | G | A | -0.7553 | |
| 192 | G | A | -0.7578 | |
| 193 | A | A | -0.6197 | |
| 194 | G | A | -0.7632 | |
| 195 | G | A | -0.7484 | |
| 196 | A | A | -0.4764 | |
| 197 | G | A | -0.5300 | |
| 198 | A | A | -0.4678 | |
| 199 | G | A | -0.8553 | |
| 200 | G | A | -0.9278 | |
| 201 | G | A | -0.8814 | |
| 202 | A | A | -0.5051 | |
| 203 | G | A | -0.5988 | |
| 204 | A | A | -0.5057 | |
| 205 | G | A | -0.7729 | |
| 206 | G | A | -0.7723 | |
| 207 | A | A | -0.6196 | |
| 208 | G | A | -0.7675 | |
| 209 | G | A | -0.7665 | |
| 210 | A | A | -0.6128 | |
| 211 | G | A | -0.7628 | |
| 212 | G | A | -0.7639 | |
| 213 | A | A | -0.4871 | |
| 214 | G | A | -0.6000 | |
| 215 | A | A | -0.4939 | |
| 216 | G | A | -0.7609 | |
| 217 | G | A | -0.7584 | |
| 218 | A | A | -0.4960 | |
| 219 | G | A | -0.6000 | |
| 220 | A | A | -0.5131 | |
| 221 | G | A | -0.8928 | |
| 222 | G | A | -0.9316 | |
| 223 | G | A | -0.8686 | |
| 224 | A | A | -0.6201 | |
| 225 | G | A | -0.7669 | |
| 226 | G | A | -0.7655 | |
| 227 | A | A | -0.6092 | |
| 228 | G | A | -0.7667 | |
| 229 | G | A | -0.7655 | |
| 230 | A | A | -0.4961 | |
| 231 | G | A | -0.6078 | |
| 232 | A | A | -0.4834 | |
| 233 | G | A | -0.7633 | |
| 234 | G | A | -0.7591 | |
| 235 | A | A | -0.4900 | |
| 236 | G | A | -0.6048 | |
| 237 | A | A | -0.4971 | |
| 238 | G | A | -0.7717 | |
| 239 | G | A | -0.7695 | |
| 240 | A | A | -0.5056 | |
| 241 | G | A | -0.5987 | |
| 242 | A | A | -0.5055 | |
| 243 | G | A | -0.7657 | |
| 244 | G | A | -0.7726 | |
| 245 | A | A | -0.5259 | |
| 246 | G | A | -0.6169 | |
| 247 | A | A | -0.5129 | |
| 248 | G | A | -0.7670 | |
| 249 | G | A | -0.7592 | |
| 250 | A | A | -0.6138 | |
| 251 | G | A | -0.7715 | |
| 252 | G | A | -0.7724 | |
| 253 | A | A | -0.4989 | |
| 254 | G | A | -0.6004 | |
| 255 | A | A | -0.5028 | |
| 256 | G | A | -0.7570 | |
| 257 | G | A | -0.7603 | |
| 258 | A | A | -0.6186 | |
| 259 | G | A | -0.7609 | |
| 260 | G | A | -0.7700 | |
| 261 | A | A | -0.5824 | |
| 262 | G | A | -0.6777 | |
| 263 | A | A | -0.5428 | |
| 264 | G | A | -0.7678 | |
| 265 | G | A | -0.8634 | |
| 266 | A | A | -0.6392 | |
| 267 | G | A | -0.8229 | |
| 268 | G | A | -0.8072 | |
| 269 | A | A | -0.5205 | |
| 270 | G | A | -0.6453 | |
| 271 | A | A | -0.6687 | |
| 272 | G | A | -1.6459 | |
| 273 | G | A | -1.9197 | |
| 274 | G | A | -1.6108 | |
| 275 | A | A | -0.9593 | |
| 276 | G | A | -0.7643 | |
| 277 | G | A | -0.7514 | |
| 278 | A | A | -0.4976 | |
| 279 | G | A | -0.5999 | |
| 280 | A | A | -0.5054 | |
| 281 | G | A | -0.8748 | |
| 282 | G | A | -0.9343 | |
| 283 | G | A | -0.9515 | |
| 284 | A | A | -0.6282 | |
| 285 | G | A | -0.7801 | |
| 286 | G | A | -0.8270 | |
| 287 | A | A | -0.5215 | |
| 288 | G | A | -0.6655 | |
| 289 | A | A | -0.5125 | |
| 290 | G | A | -0.7803 | |
| 291 | G | A | -0.8214 | |
| 292 | A | A | -0.6245 | |
| 293 | G | A | -0.7712 | |
| 294 | G | A | -0.7696 | |
| 295 | A | A | -0.5128 | |
| 296 | G | A | -0.5999 | |
| 297 | A | A | -0.4990 | |
| 298 | G | A | -0.7586 | |
| 299 | G | A | -0.7668 | |
| 300 | A | A | -0.6002 | |
| 301 | G | A | -0.7621 | |
| 302 | G | A | -0.7661 | |
| 303 | A | A | -0.4828 | |
| 304 | G | A | -0.6215 | |
| 305 | A | A | -0.4889 | |
| 306 | G | A | -0.7633 | |
| 307 | G | A | -0.7647 | |
| 308 | A | A | -0.6087 | |
| 309 | G | A | -0.7673 | |
| 310 | G | A | -0.7754 | |
| 311 | A | A | -0.5273 | |
| 312 | G | A | -0.6842 | |
| 313 | A | A | -0.4839 | |
| 314 | G | A | -0.8844 | |
| 315 | G | A | -0.9895 | |
| 316 | G | A | -0.8952 | |
| 317 | A | A | -0.5340 | |
| 318 | G | A | -0.7462 | |
| 319 | A | A | -0.5253 | |
| 320 | G | A | -0.7677 | |
| 321 | G | A | -0.8122 | |
| 322 | A | A | -0.5276 | |
| 323 | G | A | -0.6138 | |
| 324 | A | A | -0.5143 | |
| 325 | G | A | -0.9364 | |
| 326 | G | A | -1.0528 | |
| 327 | G | A | -1.5309 | |
| 328 | G | A | -2.1467 | |
| 329 | R | A | -2.8228 | |
| 330 | G | A | -2.6719 | |
| 331 | R | A | -2.8822 | |
| 332 | G | A | -1.8160 | |
| 333 | G | A | -1.4602 | |
| 334 | S | A | -0.8887 | |
| 335 | G | A | -1.3266 | |
| 336 | G | A | -1.8282 | |
| 337 | R | A | -2.8228 | |
| 338 | G | A | -2.5860 | |
| 339 | R | A | -2.8141 | |
| 340 | G | A | -1.7708 | |
| 341 | G | A | -1.3291 | |
| 342 | S | A | -0.8846 | |
| 343 | G | A | -1.3016 | |
| 344 | G | A | -1.7764 | |
| 345 | R | A | -2.7826 | |
| 346 | G | A | -2.5047 | |
| 347 | R | A | -2.7818 | |
| 348 | G | A | -1.7833 | |
| 349 | G | A | -1.2748 | |
| 350 | S | A | -0.8705 | |
| 351 | G | A | -1.3167 | |
| 352 | G | A | -2.0527 | |
| 353 | R | A | -3.1916 | |
| 354 | R | A | -3.5038 | |
| 355 | G | A | -2.8968 | |
| 356 | R | A | -3.3517 | |
| 357 | G | A | -3.1421 | |
| 358 | R | A | -3.7179 | |
| 359 | E | A | -4.0806 | |
| 360 | R | A | -3.6586 | |
| 361 | A | A | -2.2775 | |
| 362 | R | A | -2.7894 | |
| 363 | G | A | -1.8594 | |
| 364 | G | A | -1.6030 | |
| 365 | S | A | -1.9094 | |
| 366 | R | A | -3.4105 | |
| 367 | E | A | -3.7229 | |
| 368 | R | A | -3.6660 | |
| 369 | A | A | -2.7315 | |
| 370 | R | A | -2.9286 | |
| 371 | G | A | -2.7093 | |
| 372 | R | A | -3.1331 | |
| 373 | G | A | -2.5748 | |
| 374 | R | A | -3.1415 | |
| 375 | G | A | -2.5929 | |
| 376 | R | A | -3.1385 | |
| 377 | G | A | -2.8710 | |
| 378 | E | A | -3.7111 | |
| 379 | K | A | -3.7202 | |
| 380 | R | A | -3.6221 | |
| 381 | P | A | -2.3951 | |
| 382 | R | A | -2.5048 | |
| 383 | S | A | -1.3662 | |
| 384 | P | A | -0.9262 | |
| 385 | S | A | -0.7350 | |
| 386 | S | A | -1.0144 | |
| 387 | Q | A | -1.5010 | |
| 388 | S | A | -1.0332 | |
| 389 | S | A | -0.7150 | |
| 390 | S | A | -0.5694 | |
| 391 | S | A | -0.6400 | |
| 392 | G | A | -0.7766 | |
| 393 | S | A | -0.8682 | |
| 394 | P | A | -1.2935 | |
| 395 | P | A | -1.8014 | |
| 396 | R | A | -3.0620 | |
| 397 | R | A | -3.0314 | |
| 398 | P | A | -2.0734 | |
| 399 | P | A | -1.5130 | |
| 400 | P | A | -1.4864 | |
| 401 | G | A | -2.0409 | |
| 402 | R | A | -2.9012 | |
| 403 | R | A | -2.2646 | |
| 404 | P | A | -0.4047 | |
| 405 | F | A | 1.7123 | |
| 406 | F | A | 2.2904 | |
| 407 | H | A | 0.7676 | |
| 408 | P | A | 0.5996 | |
| 409 | V | A | 0.8561 | |
| 410 | G | A | -0.9180 | |
| 411 | E | A | -1.9147 | |
| 412 | A | A | -0.8327 | |
| 413 | D | A | -1.5105 | |
| 414 | Y | A | 0.7618 | |
| 415 | F | A | 1.5624 | |
| 416 | E | A | -0.4501 | |
| 417 | Y | A | 0.1280 | |
| 418 | H | A | -1.7504 | |
| 419 | Q | A | -2.6395 | |
| 420 | E | A | -2.8514 | |
| 421 | G | A | -2.1300 | |
| 422 | G | A | -1.7929 | |
| 423 | P | A | -1.6108 | |
| 424 | D | A | -2.6502 | |
| 425 | G | A | -2.3634 | |
| 426 | E | A | -2.9166 | |
| 427 | P | A | -1.7649 | |
| 428 | D | A | -1.4513 | |
| 429 | V | A | 0.6178 | |
| 430 | P | A | -0.0032 | |
| 431 | P | A | 0.0411 | |
| 432 | G | A | -0.2026 | |
| 433 | A | A | 0.0960 | |
| 434 | I | A | 0.6450 | |
| 435 | E | A | -1.5402 | |
| 436 | Q | A | -1.9486 | |
| 437 | G | A | -1.3852 | |
| 438 | P | A | -1.3648 | |
| 439 | A | A | -1.6255 | |
| 440 | D | A | -2.8095 | |
| 441 | D | A | -3.1126 | |
| 442 | P | A | -2.3407 | |
| 443 | G | A | -2.2844 | |
| 444 | E | A | -2.6025 | |
| 445 | G | A | -1.6949 | |
| 446 | P | A | -0.9651 | |
| 447 | S | A | -0.7526 | |
| 448 | T | A | -0.5090 | |
| 449 | G | A | -1.0590 | |
| 450 | P | A | -1.6273 | |
| 451 | R | A | -2.5737 | |
| 452 | G | A | -2.4211 | |
| 453 | Q | A | -2.6330 | |
| 454 | G | A | -2.2042 | |
| 455 | D | A | -3.0068 | |
| 456 | G | A | -2.5309 | |
| 457 | G | A | -2.9492 | |
| 458 | R | A | -4.1697 | |
| 459 | R | A | -4.3034 | |
| 460 | K | A | -4.3670 | |
| 461 | K | A | -3.4425 | |
| 462 | G | A | -2.2589 | |
| 463 | G | A | -0.5191 | |
| 464 | W | A | 1.1268 | |
| 465 | F | A | 1.4942 | |
| 466 | G | A | -0.8681 | |
| 467 | K | A | -2.5305 | |
| 468 | H | A | -2.9758 | |
| 469 | R | A | -3.5662 | |
| 470 | G | A | -2.9722 | |
| 471 | Q | A | -2.8008 | |
| 472 | G | A | -2.0430 | |
| 473 | G | A | -1.8550 | |
| 474 | S | A | -1.3875 | |
| 475 | N | A | -2.0605 | |
| 476 | P | A | -2.0471 | |
| 477 | K | A | -2.3986 | |
| 478 | F | A | -1.9574 | |
| 479 | E | A | -2.8609 | |
| 480 | N | A | -2.9268 | |
| 481 | I | A | -1.6674 | |
| 482 | A | A | 0.0000 | |
| 483 | E | A | -2.7897 | |
| 484 | G | A | -1.7696 | |
| 485 | L | A | 0.0000 | |
| 486 | R | A | -1.8765 | |
| 487 | A | A | -1.2551 | |
| 488 | L | A | -1.4093 | |
| 489 | L | A | 0.0000 | |
| 490 | A | A | -1.2388 | |
| 491 | R | A | -2.0698 | |
| 492 | S | A | -1.5221 | |
| 493 | H | A | -1.7645 | |
| 494 | V | A | -1.0119 | |
| 495 | E | A | -1.9437 | |
| 496 | R | A | -1.4769 | |
| 497 | T | A | 0.0000 | |
| 498 | T | A | -1.9040 | |
| 499 | D | A | -2.4778 | |
| 500 | E | A | -2.9601 | |
| 501 | G | A | -1.8775 | |
| 502 | T | A | -1.2551 | |
| 503 | W | A | 0.0000 | |
| 504 | V | A | -0.4649 | |
| 505 | A | A | 0.0000 | |
| 506 | G | A | 0.0000 | |
| 507 | V | A | 0.0000 | |
| 508 | F | A | 0.1457 | |
| 509 | V | A | 0.0000 | |
| 510 | Y | A | -0.6047 | |
| 511 | G | A | 0.0000 | |
| 512 | G | A | -0.5163 | |
| 513 | S | A | -0.5818 | |
| 514 | K | A | -1.1224 | |
| 515 | T | A | -0.7642 | |
| 516 | S | A | 0.0000 | |
| 517 | L | A | 0.0000 | |
| 518 | Y | A | -0.2207 | |
| 519 | N | A | -0.6153 | |
| 520 | L | A | 0.0000 | |
| 521 | R | A | 0.0000 | |
| 522 | R | A | -0.3372 | |
| 523 | G | A | 0.0000 | |
| 524 | T | A | 0.0000 | |
| 525 | A | A | 0.2389 | |
| 526 | L | A | -0.2094 | |
| 527 | A | A | 0.0000 | |
| 528 | I | A | 0.0000 | |
| 529 | P | A | -0.2313 | |
| 530 | Q | A | -1.3786 | |
| 531 | C | A | 0.0000 | |
| 532 | R | A | 0.0000 | |
| 533 | L | A | 0.0000 | |
| 534 | T | A | 0.0997 | |
| 535 | P | A | -0.2030 | |
| 536 | L | A | -0.2508 | |
| 537 | S | A | -0.6298 | |
| 538 | R | A | -0.8700 | |
| 539 | L | A | -0.2035 | |
| 540 | P | A | -0.2866 | |
| 541 | F | A | 0.0400 | |
| 542 | G | A | 0.0361 | |
| 543 | M | A | 0.9842 | |
| 544 | A | A | 0.0528 | |
| 545 | P | A | -0.3569 | |
| 546 | G | A | -0.7288 | |
| 547 | P | A | -0.9459 | |
| 548 | G | A | -1.2148 | |
| 549 | P | A | -1.2964 | |
| 550 | Q | A | -1.7655 | |
| 551 | P | A | -0.8191 | |
| 552 | G | A | -1.0024 | |
| 553 | P | A | -0.7375 | |
| 554 | L | A | -0.0211 | |
| 555 | R | A | -1.7983 | |
| 556 | E | A | -1.9301 | |
| 557 | S | A | 0.0000 | |
| 558 | I | A | 1.0840 | |
| 559 | V | A | 0.4479 | |
| 560 | C | A | 0.0000 | |
| 561 | Y | A | 0.0732 | |
| 562 | F | A | 0.0000 | |
| 563 | M | A | 0.0000 | |
| 564 | V | A | 0.0000 | |
| 565 | F | A | 0.0000 | |
| 566 | L | A | 0.0000 | |
| 567 | Q | A | -0.6330 | |
| 568 | T | A | -0.1630 | |
| 569 | H | A | 0.1752 | |
| 570 | I | A | 1.1742 | |
| 571 | F | A | 0.0000 | |
| 572 | A | A | 0.0000 | |
| 573 | E | A | -0.5715 | |
| 574 | V | A | -0.6402 | |
| 575 | L | A | 0.0000 | |
| 576 | K | A | -1.7214 | |
| 577 | D | A | -2.7005 | |
| 578 | A | A | 0.0000 | |
| 579 | I | A | 0.0000 | |
| 580 | K | A | -2.1738 | |
| 581 | D | A | -2.3283 | |
| 582 | L | A | -1.1216 | |
| 583 | V | A | 0.0000 | |
| 584 | M | A | -0.0908 | |
| 585 | T | A | -0.8822 | |
| 586 | K | A | -1.5922 | |
| 587 | P | A | -0.8140 | |
| 588 | A | A | -0.4923 | |
| 589 | P | A | -0.6105 | |
| 590 | T | A | -0.6944 | |
| 591 | C | A | -0.1304 | |
| 592 | N | A | -1.2554 | |
| 593 | I | A | 0.0000 | |
| 594 | R | A | -2.1197 | |
| 595 | V | A | 0.0000 | |
| 596 | T | A | -0.7572 | |
| 597 | V | A | -0.2422 | |
| 598 | C | A | 0.0000 | |
| 599 | S | A | -1.0904 | |
| 600 | F | A | -1.0736 | |
| 601 | D | A | -2.6141 | |
| 602 | D | A | -2.6332 | |
| 603 | G | A | -1.4335 | |
| 604 | V | A | -0.9617 | |
| 605 | D | A | -1.9359 | |
| 606 | L | A | -0.6338 | |
| 607 | P | A | -0.3554 | |
| 608 | P | A | -0.5062 | |
| 609 | W | A | 1.4184 | |
| 610 | F | A | 0.8864 | |
| 611 | P | A | 0.9739 | |
| 612 | P | A | 0.9111 | |
| 613 | M | A | 1.3390 | |
| 614 | V | A | 1.1349 | |
| 615 | E | A | -1.2455 | |
| 616 | G | A | -1.3768 | |
| 617 | A | A | -0.3981 | |
| 618 | A | A | -0.9082 | |
| 619 | A | A | -0.7969 | |
| 620 | E | A | -1.7817 | |
| 621 | G | A | -2.4336 | |
| 622 | D | A | -3.7483 | |
| 623 | D | A | -4.1187 | |
| 624 | G | A | -3.6247 | |
| 625 | D | A | -4.3186 | |
| 626 | D | A | -4.3965 | |
| 627 | G | A | -3.8375 | |
| 628 | D | A | -4.1055 | |
| 629 | E | A | -3.7258 | |
| 630 | G | A | -2.9389 | |
| 631 | G | A | -2.9607 | |
| 632 | D | A | -3.4029 | |
| 633 | G | A | -3.0399 | |
| 634 | D | A | -3.8718 | |
| 635 | E | A | -4.0069 | |
| 636 | G | A | -3.4094 | |
| 637 | E | A | -3.9571 | |
| 638 | E | A | -3.6143 | |
| 639 | G | A | -2.9816 | |
| 640 | Q | A | -2.9674 | |
| 641 | E | A | -2.5392 |
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 | -0.3338 | 5.7274 | View | CSV | PDB |
| 4.5 | -0.3826 | 5.7274 | View | CSV | PDB |
| 5.0 | -0.444 | 5.7274 | View | CSV | PDB |
| 5.5 | -0.5071 | 5.7274 | View | CSV | PDB |
| 6.0 | -0.5621 | 5.7274 | View | CSV | PDB |
| 6.5 | -0.6035 | 5.7758 | View | CSV | PDB |
| 7.0 | -0.632 | 5.8752 | View | CSV | PDB |
| 7.5 | -0.6518 | 5.9265 | View | CSV | PDB |
| 8.0 | -0.6667 | 5.9465 | View | CSV | PDB |
| 8.5 | -0.6772 | 5.9533 | View | CSV | PDB |
| 9.0 | -0.6812 | 5.9555 | 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