| Chain sequence(s) |
A: QGLQGPRGLPGTPGTDGPKGASGPAGPPGAQGPPGLQGMPGERGAAGIAGPKGDRGDVGEKGPEGAPGKDGGRGLTGPIGPPGPAGANGEKGEVGPPGPAGSAGARGAPGERGETGPPGPAGFAGPPGADGQPGAKGEQGEAGQKGDAGAPGPQGPSGAPGPQGPTGVTGPKGARGAQGPPGATGFPGAAGRVGPPGSNGNPGPPGPPGPSGKDGPKGARGDSGPPGRAGEPGLQGPAGPPGEKGEPGDDGPSGAEGPPGPQGLAGQRGIVGLPGQRGERGFPGLPGPSGEPGKQGAPGASGDRGPPGPVGPPGLTGPAGEPGREGSPGADGPPGRDGAAGVKGDRGETGAVGAPGAPGPPGSPGPAGPTGKQGDRGEAGAQGPMGPSGPAGARGIQGPQGPRGDKGEAGEPGERGLKGHRGFTGLQGLPGPPGPSGDQGASGPAGPSGPRGPPGPVGPSGKDGANGIPGPIGPPGPRGRSGETGPAGPPGNPGPPGPPGPPGPGIDMSAFAGLGPREKGPDPLQYMRA
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] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[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 (00:03:29)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/7dd5b6ffe76680/tmp/folded.pdb (00:03:29)
[INFO] Main: Simulation completed successfully. (00:08:34)
|
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 | Q | A | -1.1982 | |
| 2 | G | A | -0.6167 | |
| 3 | L | A | 0.3441 | |
| 4 | Q | A | -1.1943 | |
| 5 | G | A | -1.3087 | |
| 6 | P | A | -1.4134 | |
| 7 | R | A | -2.1171 | |
| 8 | G | A | -0.8352 | |
| 9 | L | A | 0.6342 | |
| 10 | P | A | -0.0992 | |
| 11 | G | A | -0.4235 | |
| 12 | T | A | -0.4227 | |
| 13 | P | A | -0.8848 | |
| 14 | G | A | -1.1767 | |
| 15 | T | A | -1.3676 | |
| 16 | D | A | -2.4722 | |
| 17 | G | A | -1.9885 | |
| 18 | P | A | -1.8201 | |
| 19 | K | A | -2.4098 | |
| 20 | G | A | -1.4936 | |
| 21 | A | A | -0.8337 | |
| 22 | S | A | -0.7849 | |
| 23 | G | A | -0.7864 | |
| 24 | P | A | -0.6358 | |
| 25 | A | A | -0.5234 | |
| 26 | G | A | -0.8132 | |
| 27 | P | A | -0.7263 | |
| 28 | P | A | -0.8493 | |
| 29 | G | A | -1.0335 | |
| 30 | A | A | -0.9615 | |
| 31 | Q | A | -1.5922 | |
| 32 | G | A | -1.2637 | |
| 33 | P | A | -0.7613 | |
| 34 | P | A | -0.6260 | |
| 35 | G | A | -0.3086 | |
| 36 | L | A | 0.6635 | |
| 37 | Q | A | -0.5989 | |
| 38 | G | A | -0.3356 | |
| 39 | M | A | 0.2792 | |
| 40 | P | A | -0.8509 | |
| 41 | G | A | -1.7895 | |
| 42 | E | A | -2.9727 | |
| 43 | R | A | -3.0583 | |
| 44 | G | A | -1.8907 | |
| 45 | A | A | -0.6630 | |
| 46 | A | A | 0.0110 | |
| 47 | G | A | 0.4347 | |
| 48 | I | A | 1.6901 | |
| 49 | A | A | 0.4558 | |
| 50 | G | A | -0.5680 | |
| 51 | P | A | -1.3878 | |
| 52 | K | A | -2.5603 | |
| 53 | G | A | -2.7450 | |
| 54 | D | A | -3.6563 | |
| 55 | R | A | -3.2615 | |
| 56 | G | A | -2.3814 | |
| 57 | D | A | -2.1503 | |
| 58 | V | A | -0.1865 | |
| 59 | G | A | -1.4327 | |
| 60 | E | A | -2.8060 | |
| 61 | K | A | -2.9529 | |
| 62 | G | A | -2.3824 | |
| 63 | P | A | -2.0375 | |
| 64 | E | A | -2.4544 | |
| 65 | G | A | -1.8817 | |
| 66 | A | A | -1.0749 | |
| 67 | P | A | -1.3352 | |
| 68 | G | A | -2.0496 | |
| 69 | K | A | -3.0773 | |
| 70 | D | A | -3.3313 | |
| 71 | G | A | -2.8958 | |
| 72 | G | A | -2.2189 | |
| 73 | R | A | -2.2658 | |
| 74 | G | A | -1.2143 | |
| 75 | L | A | 0.5550 | |
| 76 | T | A | 0.2027 | |
| 77 | G | A | -0.1452 | |
| 78 | P | A | 0.4474 | |
| 79 | I | A | 1.3392 | |
| 80 | G | A | 0.1459 | |
| 81 | P | A | -0.3520 | |
| 82 | P | A | -0.6592 | |
| 83 | G | A | -0.8775 | |
| 84 | P | A | -0.8022 | |
| 85 | A | A | -0.8302 | |
| 86 | G | A | -1.4761 | |
| 87 | A | A | -1.6758 | |
| 88 | N | A | -2.7560 | |
| 89 | G | A | -3.2338 | |
| 90 | E | A | -3.7804 | |
| 91 | K | A | -3.3983 | |
| 92 | G | A | -3.0046 | |
| 93 | E | A | -2.4208 | |
| 94 | V | A | 0.2017 | |
| 95 | G | A | -0.5843 | |
| 96 | P | A | -0.5654 | |
| 97 | P | A | -0.5114 | |
| 98 | G | A | -0.9157 | |
| 99 | P | A | -0.7346 | |
| 100 | A | A | -0.5319 | |
| 101 | G | A | -0.6918 | |
| 102 | S | A | -0.5333 | |
| 103 | A | A | -0.6848 | |
| 104 | G | A | -1.0641 | |
| 105 | A | A | -1.1691 | |
| 106 | R | A | -2.2398 | |
| 107 | G | A | -1.5408 | |
| 108 | A | A | -1.0654 | |
| 109 | P | A | -1.6536 | |
| 110 | G | A | -2.4674 | |
| 111 | E | A | -3.3262 | |
| 112 | R | A | -3.6374 | |
| 113 | G | A | -3.1942 | |
| 114 | E | A | -2.9455 | |
| 115 | T | A | -1.7528 | |
| 116 | G | A | -1.2321 | |
| 117 | P | A | -1.0408 | |
| 118 | P | A | -0.9201 | |
| 119 | G | A | -0.8328 | |
| 120 | P | A | -0.4933 | |
| 121 | A | A | 0.1345 | |
| 122 | G | A | 0.3794 | |
| 123 | F | A | 1.4827 | |
| 124 | A | A | 0.3910 | |
| 125 | G | A | -0.4544 | |
| 126 | P | A | -0.5336 | |
| 127 | P | A | -1.1057 | |
| 128 | G | A | -1.3155 | |
| 129 | A | A | -1.4196 | |
| 130 | D | A | -2.7225 | |
| 131 | G | A | -2.6714 | |
| 132 | Q | A | -2.2825 | |
| 133 | P | A | -1.9880 | |
| 134 | G | A | -2.1384 | |
| 135 | A | A | -1.3896 | |
| 136 | K | A | -2.8342 | |
| 137 | G | A | -2.8822 | |
| 138 | E | A | -3.1450 | |
| 139 | Q | A | -3.2182 | |
| 140 | G | A | -2.4755 | |
| 141 | E | A | -2.3797 | |
| 142 | A | A | -1.7484 | |
| 143 | G | A | -1.9528 | |
| 144 | Q | A | -2.3265 | |
| 145 | K | A | -3.0014 | |
| 146 | G | A | -2.5170 | |
| 147 | D | A | -2.4757 | |
| 148 | A | A | -1.3754 | |
| 149 | G | A | -0.9742 | |
| 150 | A | A | -0.6003 | |
| 151 | P | A | -0.8082 | |
| 152 | G | A | -1.0979 | |
| 153 | P | A | -1.2475 | |
| 154 | Q | A | -1.7796 | |
| 155 | G | A | -1.3462 | |
| 156 | P | A | -0.9906 | |
| 157 | S | A | -0.8813 | |
| 158 | G | A | -0.7748 | |
| 159 | A | A | -0.5229 | |
| 160 | P | A | -0.8433 | |
| 161 | G | A | -1.1080 | |
| 162 | P | A | -1.2523 | |
| 163 | Q | A | -1.7500 | |
| 164 | G | A | -1.3162 | |
| 165 | P | A | -0.7024 | |
| 166 | T | A | -0.2832 | |
| 167 | G | A | 0.1614 | |
| 168 | V | A | 1.3167 | |
| 169 | T | A | 0.0980 | |
| 170 | G | A | -0.7187 | |
| 171 | P | A | -1.2177 | |
| 172 | K | A | -2.4337 | |
| 173 | G | A | -1.8975 | |
| 174 | A | A | -1.6016 | |
| 175 | R | A | -2.5676 | |
| 176 | G | A | -1.7118 | |
| 177 | A | A | -1.3021 | |
| 178 | Q | A | -1.8275 | |
| 179 | G | A | -1.2280 | |
| 180 | P | A | -0.9360 | |
| 181 | P | A | -0.8516 | |
| 182 | G | A | -0.7370 | |
| 183 | A | A | -0.1832 | |
| 184 | T | A | 0.0093 | |
| 185 | G | A | 0.2828 | |
| 186 | F | A | 1.4811 | |
| 187 | P | A | 0.3523 | |
| 188 | G | A | -0.1945 | |
| 189 | A | A | -0.3041 | |
| 190 | A | A | -0.4612 | |
| 191 | G | A | -0.9717 | |
| 192 | R | A | -1.3375 | |
| 193 | V | A | 0.4492 | |
| 194 | G | A | -0.3621 | |
| 195 | P | A | -0.5393 | |
| 196 | P | A | -0.6954 | |
| 197 | G | A | -1.1859 | |
| 198 | S | A | -1.4154 | |
| 199 | N | A | -2.1047 | |
| 200 | G | A | -1.9347 | |
| 201 | N | A | -2.1036 | |
| 202 | P | A | -1.4796 | |
| 203 | G | A | -1.2092 | |
| 204 | P | A | -0.9583 | |
| 205 | P | A | -0.8402 | |
| 206 | G | A | -0.9611 | |
| 207 | P | A | -0.8395 | |
| 208 | P | A | -0.8328 | |
| 209 | G | A | -0.9502 | |
| 210 | P | A | -1.0174 | |
| 211 | S | A | -1.3405 | |
| 212 | G | A | -2.0068 | |
| 213 | K | A | -3.0295 | |
| 214 | D | A | -3.2841 | |
| 215 | G | A | -2.4244 | |
| 216 | P | A | -2.0616 | |
| 217 | K | A | -2.6606 | |
| 218 | G | A | -1.8967 | |
| 219 | A | A | -1.8566 | |
| 220 | R | A | -2.8525 | |
| 221 | G | A | -2.3785 | |
| 222 | D | A | -2.7079 | |
| 223 | S | A | -1.7718 | |
| 224 | G | A | -1.3178 | |
| 225 | P | A | -1.2341 | |
| 226 | P | A | -1.1860 | |
| 227 | G | A | -1.6393 | |
| 228 | R | A | -2.4810 | |
| 229 | A | A | -1.6941 | |
| 230 | G | A | -1.9529 | |
| 231 | E | A | -2.3208 | |
| 232 | P | A | -1.2912 | |
| 233 | G | A | -0.7065 | |
| 234 | L | A | 0.3440 | |
| 235 | Q | A | -0.8555 | |
| 236 | G | A | -0.8287 | |
| 237 | P | A | -0.6754 | |
| 238 | A | A | -0.6834 | |
| 239 | G | A | -0.7985 | |
| 240 | P | A | -0.9365 | |
| 241 | P | A | -1.3904 | |
| 242 | G | A | -2.0768 | |
| 243 | E | A | -3.2976 | |
| 244 | K | A | -3.4320 | |
| 245 | G | A | -2.8244 | |
| 246 | E | A | -3.1426 | |
| 247 | P | A | -2.3730 | |
| 248 | G | A | -2.4670 | |
| 249 | D | A | -3.3209 | |
| 250 | D | A | -3.1197 | |
| 251 | G | A | -2.0824 | |
| 252 | P | A | -1.3444 | |
| 253 | S | A | -1.1641 | |
| 254 | G | A | -1.1723 | |
| 255 | A | A | -1.2820 | |
| 256 | E | A | -2.2538 | |
| 257 | G | A | -1.6925 | |
| 258 | P | A | -1.1766 | |
| 259 | P | A | -1.1870 | |
| 260 | G | A | -1.2577 | |
| 261 | P | A | -1.0603 | |
| 262 | Q | A | -1.3121 | |
| 263 | G | A | -0.5225 | |
| 264 | L | A | 0.7328 | |
| 265 | A | A | -0.2290 | |
| 266 | G | A | -1.2078 | |
| 267 | Q | A | -1.9233 | |
| 268 | R | A | -2.0285 | |
| 269 | G | A | -0.3815 | |
| 270 | I | A | 2.1014 | |
| 271 | V | A | 2.4900 | |
| 272 | G | A | 1.4785 | |
| 273 | L | A | 1.6202 | |
| 274 | P | A | -0.1556 | |
| 275 | G | A | -1.3712 | |
| 276 | Q | A | -2.4921 | |
| 277 | R | A | -3.4434 | |
| 278 | G | A | -3.0915 | |
| 279 | E | A | -3.5968 | |
| 280 | R | A | -2.8909 | |
| 281 | G | A | -1.0211 | |
| 282 | F | A | 1.0852 | |
| 283 | P | A | 0.4688 | |
| 284 | G | A | 0.4534 | |
| 285 | L | A | 0.9958 | |
| 286 | P | A | 0.0356 | |
| 287 | G | A | -0.5032 | |
| 288 | P | A | -0.8230 | |
| 289 | S | A | -1.1758 | |
| 290 | G | A | -1.7070 | |
| 291 | E | A | -2.6225 | |
| 292 | P | A | -2.0850 | |
| 293 | G | A | -2.3089 | |
| 294 | K | A | -2.9519 | |
| 295 | Q | A | -2.4199 | |
| 296 | G | A | -1.6440 | |
| 297 | A | A | -0.9470 | |
| 298 | P | A | -0.7416 | |
| 299 | G | A | -0.8363 | |
| 300 | A | A | -0.7115 | |
| 301 | S | A | -1.2896 | |
| 302 | G | A | -2.0666 | |
| 303 | D | A | -3.1205 | |
| 304 | R | A | -3.1962 | |
| 305 | G | A | -2.1514 | |
| 306 | P | A | -1.4748 | |
| 307 | P | A | -0.7771 | |
| 308 | G | A | -0.4620 | |
| 309 | P | A | 0.1233 | |
| 310 | V | A | 1.1628 | |
| 311 | G | A | 0.0075 | |
| 312 | P | A | -0.0995 | |
| 313 | P | A | -0.0701 | |
| 314 | G | A | -0.0603 | |
| 315 | L | A | 1.0253 | |
| 316 | T | A | 0.2363 | |
| 317 | G | A | -0.3257 | |
| 318 | P | A | -0.6358 | |
| 319 | A | A | -0.9155 | |
| 320 | G | A | -1.5904 | |
| 321 | E | A | -2.5763 | |
| 322 | P | A | -2.2048 | |
| 323 | G | A | -2.5518 | |
| 324 | R | A | -3.4331 | |
| 325 | E | A | -3.1863 | |
| 326 | G | A | -2.1155 | |
| 327 | S | A | -1.3839 | |
| 328 | P | A | -1.1943 | |
| 329 | G | A | -1.1777 | |
| 330 | A | A | -1.2772 | |
| 331 | D | A | -2.2384 | |
| 332 | G | A | -1.5982 | |
| 333 | P | A | -1.3973 | |
| 334 | P | A | -1.6797 | |
| 335 | G | A | -2.1297 | |
| 336 | R | A | -3.1643 | |
| 337 | D | A | -3.1245 | |
| 338 | G | A | -2.4343 | |
| 339 | A | A | -1.0302 | |
| 340 | A | A | -0.7583 | |
| 341 | G | A | -0.9654 | |
| 342 | V | A | -0.2629 | |
| 343 | K | A | -2.5620 | |
| 344 | G | A | -3.5265 | |
| 345 | D | A | -4.1070 | |
| 346 | R | A | -4.2582 | |
| 347 | G | A | -3.6630 | |
| 348 | E | A | -3.2138 | |
| 349 | T | A | -1.4436 | |
| 350 | G | A | -0.9499 | |
| 351 | A | A | 0.1545 | |
| 352 | V | A | 1.6257 | |
| 353 | G | A | 0.5401 | |
| 354 | A | A | 0.1618 | |
| 355 | P | A | -0.3903 | |
| 356 | G | A | -0.9172 | |
| 357 | A | A | -0.6871 | |
| 358 | P | A | -0.6838 | |
| 359 | G | A | -0.8590 | |
| 360 | P | A | -0.8192 | |
| 361 | P | A | -0.9415 | |
| 362 | G | A | -1.0424 | |
| 363 | S | A | -0.8472 | |
| 364 | P | A | -0.7586 | |
| 365 | G | A | -1.0890 | |
| 366 | P | A | -0.8131 | |
| 367 | A | A | -0.5873 | |
| 368 | G | A | -1.0720 | |
| 369 | P | A | -0.8771 | |
| 370 | T | A | -1.1101 | |
| 371 | G | A | -2.3687 | |
| 372 | K | A | -2.9189 | |
| 373 | Q | A | -3.1267 | |
| 374 | G | A | -2.9369 | |
| 375 | D | A | -3.7981 | |
| 376 | R | A | -3.7070 | |
| 377 | G | A | -3.0812 | |
| 378 | E | A | -2.7810 | |
| 379 | A | A | -1.6040 | |
| 380 | G | A | -1.4818 | |
| 381 | A | A | -1.2052 | |
| 382 | Q | A | -1.5179 | |
| 383 | G | A | -1.2708 | |
| 384 | P | A | -0.4781 | |
| 385 | M | A | 0.1446 | |
| 386 | G | A | -0.6179 | |
| 387 | P | A | -0.6111 | |
| 388 | S | A | -0.6505 | |
| 389 | G | A | -0.9520 | |
| 390 | P | A | -0.6896 | |
| 391 | A | A | -0.7333 | |
| 392 | G | A | -1.1707 | |
| 393 | A | A | -0.9667 | |
| 394 | R | A | -1.7838 | |
| 395 | G | A | -0.3452 | |
| 396 | I | A | 1.0096 | |
| 397 | Q | A | -0.4518 | |
| 398 | G | A | -0.1433 | |
| 399 | P | A | -0.7990 | |
| 400 | Q | A | -2.2275 | |
| 401 | G | A | -2.3181 | |
| 402 | P | A | -2.4740 | |
| 403 | R | A | -3.8285 | |
| 404 | G | A | -4.1117 | |
| 405 | D | A | -4.1696 | |
| 406 | K | A | -3.7438 | |
| 407 | G | A | -2.6457 | |
| 408 | E | A | -2.8202 | |
| 409 | A | A | -1.6558 | |
| 410 | G | A | -1.8159 | |
| 411 | E | A | -2.8366 | |
| 412 | P | A | -2.2764 | |
| 413 | G | A | -2.8491 | |
| 414 | E | A | -3.1531 | |
| 415 | R | A | -2.9760 | |
| 416 | G | A | -1.6083 | |
| 417 | L | A | -0.4751 | |
| 418 | K | A | -2.0122 | |
| 419 | G | A | -1.9231 | |
| 420 | H | A | -2.1156 | |
| 421 | R | A | -2.3955 | |
| 422 | G | A | -0.6775 | |
| 423 | F | A | 1.0862 | |
| 424 | T | A | 0.4359 | |
| 425 | G | A | 0.1225 | |
| 426 | L | A | 1.0633 | |
| 427 | Q | A | -0.4171 | |
| 428 | G | A | 0.0175 | |
| 429 | L | A | 1.0338 | |
| 430 | P | A | -0.0522 | |
| 431 | G | A | -0.4455 | |
| 432 | P | A | -0.5795 | |
| 433 | P | A | -0.9578 | |
| 434 | G | A | -1.2671 | |
| 435 | P | A | -1.2662 | |
| 436 | S | A | -1.4752 | |
| 437 | G | A | -2.0645 | |
| 438 | D | A | -2.7579 | |
| 439 | Q | A | -2.3611 | |
| 440 | G | A | -1.4674 | |
| 441 | A | A | -0.8242 | |
| 442 | S | A | -0.9026 | |
| 443 | G | A | -1.1055 | |
| 444 | P | A | -0.8298 | |
| 445 | A | A | -0.9806 | |
| 446 | G | A | -1.6730 | |
| 447 | P | A | -1.2127 | |
| 448 | S | A | -1.5931 | |
| 449 | G | A | -2.0123 | |
| 450 | P | A | -1.7505 | |
| 451 | R | A | -2.3449 | |
| 452 | G | A | -1.1851 | |
| 453 | P | A | -0.7260 | |
| 454 | P | A | -0.0453 | |
| 455 | G | A | 0.5186 | |
| 456 | P | A | 0.5623 | |
| 457 | V | A | 1.6706 | |
| 458 | G | A | 0.7815 | |
| 459 | P | A | -0.1752 | |
| 460 | S | A | -1.0523 | |
| 461 | G | A | -1.9901 | |
| 462 | K | A | -3.0269 | |
| 463 | D | A | -3.0850 | |
| 464 | G | A | -2.2285 | |
| 465 | A | A | -1.5075 | |
| 466 | N | A | -1.5409 | |
| 467 | G | A | 0.0319 | |
| 468 | I | A | 1.6867 | |
| 469 | P | A | 1.1280 | |
| 470 | G | A | 1.0881 | |
| 471 | P | A | 0.9528 | |
| 472 | I | A | 1.5089 | |
| 473 | G | A | 0.1013 | |
| 474 | P | A | -0.4178 | |
| 475 | P | A | -1.1257 | |
| 476 | G | A | -1.8028 | |
| 477 | P | A | -1.9747 | |
| 478 | R | A | -2.7403 | |
| 479 | G | A | -2.2926 | |
| 480 | R | A | -2.8938 | |
| 481 | S | A | -2.0746 | |
| 482 | G | A | -1.8793 | |
| 483 | E | A | -2.4194 | |
| 484 | T | A | -1.2628 | |
| 485 | G | A | -1.0777 | |
| 486 | P | A | -0.8421 | |
| 487 | A | A | -0.9809 | |
| 488 | G | A | -1.5386 | |
| 489 | P | A | -1.3119 | |
| 490 | P | A | -1.3021 | |
| 491 | G | A | -1.7157 | |
| 492 | N | A | -1.8582 | |
| 493 | P | A | -1.3376 | |
| 494 | G | A | -1.1968 | |
| 495 | P | A | -0.9497 | |
| 496 | P | A | -0.5683 | |
| 497 | G | A | -0.4453 | |
| 498 | P | A | -0.5352 | |
| 499 | P | A | -0.4676 | |
| 500 | G | A | -0.4448 | |
| 501 | P | A | -0.6770 | |
| 502 | P | A | -0.7192 | |
| 503 | G | A | -0.2244 | |
| 504 | P | A | -0.3299 | |
| 505 | G | A | -0.1382 | |
| 506 | I | A | 1.0276 | |
| 507 | D | A | -0.2143 | |
| 508 | M | A | 1.2235 | |
| 509 | S | A | 0.5738 | |
| 510 | A | A | 1.1464 | |
| 511 | F | A | 2.1888 | |
| 512 | A | A | 1.1261 | |
| 513 | G | A | 0.8385 | |
| 514 | L | A | 1.2474 | |
| 515 | G | A | -0.4529 | |
| 516 | P | A | -1.7799 | |
| 517 | R | A | -3.1986 | |
| 518 | E | A | -3.7925 | |
| 519 | K | A | -3.5293 | |
| 520 | G | A | -2.3876 | |
| 521 | P | A | -1.7472 | |
| 522 | D | A | -1.6096 | |
| 523 | P | A | -0.1923 | |
| 524 | L | A | 0.7796 | |
| 525 | Q | A | -0.4111 | |
| 526 | Y | A | 0.9677 | |
| 527 | M | A | 0.8400 | |
| 528 | R | A | -0.9838 | |
| 529 | A | A | -0.4478 |
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 | 0.3874 | 5.7655 | View | CSV | PDB |
| 4.5 | 0.3305 | 5.7655 | View | CSV | PDB |
| 5.0 | 0.2621 | 5.7655 | View | CSV | PDB |
| 5.5 | 0.1929 | 5.7655 | View | CSV | PDB |
| 6.0 | 0.1341 | 5.7655 | View | CSV | PDB |
| 6.5 | 0.094 | 5.7655 | View | CSV | PDB |
| 7.0 | 0.0732 | 5.7655 | View | CSV | PDB |
| 7.5 | 0.0658 | 5.7655 | View | CSV | PDB |
| 8.0 | 0.0664 | 5.7655 | View | CSV | PDB |
| 8.5 | 0.0743 | 5.7655 | View | CSV | PDB |
| 9.0 | 0.0908 | 5.7655 | 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