| Chain sequence(s) |
A: MGGLIDLNVMETEEDETQTQTPSSASGSVSPTSSSSASVSVVSSNSAGGGVCLELWHACAGPLISLPKRGSLVLYFPQGHLEQAPDFSAAIYGLPPHVFCRILDVKLHAETTTDEVYAQVSLLPESEDIERKVREGIIDVDGGEEDYEVLKRSNTPHMFCKTLTASDTSTHGGFSVPRRAAEDCFPPLDYSQPRPSQELLARDLHGLEWRFRHIYRGQPRRHLLTTGWSAFVNKKKLVSGDAVLFLRGDDGKLRLGVRRASQIEGTAALSAQYNQNMNHNNFSEVAHAISTHSVFSISYNPKASWSNFIIPAPKFLKVVDYPFCIGMRFKARVESEDASERRSPGIISGISDLDPIRWPGSKWRCLLVRWDDIVANGHQQRVSPWEIEPSGSISNSGSFVTTGPKRSRIGFSSGKPDIPVSEGIRATDFEESLRFQRVLQGQEIFPGFINTCSDGGAGARRGRFKGTEFGDSYGFHKVLQGQETVPAYSITDHRQQHGLSQRNIWCGPFQNFSTRILPPSVSSSPSSVLLTNSNSPNGRLEDHHGGSGRCRLFGFPLTDETTAVASATAVPCVEGNSMKGASAVQSNHHHSQGRDIYAMRDMLLDIAL
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 partially or entirely disordered. Average 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 (00:05:38)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a5b3e042662322e/tmp/folded.pdb (00:05:38)
[INFO] Main: Simulation completed successfully. (00:08:00)
|
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 | 0.7311 | |
| 2 | G | A | 0.1702 | |
| 3 | G | A | 0.7782 | |
| 4 | L | A | 1.7811 | |
| 5 | I | A | 2.1418 | |
| 6 | D | A | 0.0021 | |
| 7 | L | A | 0.9756 | |
| 8 | N | A | 0.1539 | |
| 9 | V | A | 1.6483 | |
| 10 | M | A | 0.7346 | |
| 11 | E | A | -1.2964 | |
| 12 | T | A | -1.9692 | |
| 13 | E | A | -3.5773 | |
| 14 | E | A | -4.0862 | |
| 15 | D | A | -3.9572 | |
| 16 | E | A | -3.3647 | |
| 17 | T | A | -1.9211 | |
| 18 | Q | A | -1.9366 | |
| 19 | T | A | -1.2639 | |
| 20 | Q | A | -1.5856 | |
| 21 | T | A | -0.8445 | |
| 22 | P | A | -0.6980 | |
| 23 | S | A | -0.4494 | |
| 24 | S | A | -0.3906 | |
| 25 | A | A | -0.2924 | |
| 26 | S | A | -0.4977 | |
| 27 | G | A | -0.3044 | |
| 28 | S | A | 0.3332 | |
| 29 | V | A | 1.4180 | |
| 30 | S | A | 0.4394 | |
| 31 | P | A | -0.0626 | |
| 32 | T | A | -0.3956 | |
| 33 | S | A | -0.4469 | |
| 34 | S | A | -0.4821 | |
| 35 | S | A | -0.4512 | |
| 36 | S | A | -0.1924 | |
| 37 | A | A | 0.2343 | |
| 38 | S | A | 0.7614 | |
| 39 | V | A | 2.2417 | |
| 40 | S | A | 1.9351 | |
| 41 | V | A | 2.8433 | |
| 42 | V | A | 2.5191 | |
| 43 | S | A | 0.6118 | |
| 44 | S | A | -0.2185 | |
| 45 | N | A | -1.4179 | |
| 46 | S | A | -1.1769 | |
| 47 | A | A | -0.8396 | |
| 48 | G | A | -1.0038 | |
| 49 | G | A | -0.9182 | |
| 50 | G | A | -0.7831 | |
| 51 | V | A | -0.0018 | |
| 52 | C | A | 0.2086 | |
| 53 | L | A | 0.9026 | |
| 54 | E | A | -0.4087 | |
| 55 | L | A | 0.0000 | |
| 56 | W | A | 0.0000 | |
| 57 | H | A | -0.0999 | |
| 58 | A | A | 0.0000 | |
| 59 | C | A | 0.0000 | |
| 60 | A | A | 0.0000 | |
| 61 | G | A | 0.0000 | |
| 62 | P | A | -0.5933 | |
| 63 | L | A | -0.4724 | |
| 64 | I | A | 0.2314 | |
| 65 | S | A | -0.0376 | |
| 66 | L | A | -0.4099 | |
| 67 | P | A | 0.0000 | |
| 68 | K | A | -2.7679 | |
| 69 | R | A | -2.8920 | |
| 70 | G | A | -1.8488 | |
| 71 | S | A | -1.8962 | |
| 72 | L | A | 0.0000 | |
| 73 | V | A | 0.0000 | |
| 74 | L | A | 0.0000 | |
| 75 | Y | A | 0.0000 | |
| 76 | F | A | 0.0000 | |
| 77 | P | A | 0.0000 | |
| 78 | Q | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | H | A | 0.0000 | |
| 81 | L | A | -0.4386 | |
| 82 | E | A | -1.1236 | |
| 83 | Q | A | -0.8612 | |
| 84 | A | A | -1.1002 | |
| 85 | P | A | -1.1116 | |
| 86 | D | A | -1.6642 | |
| 87 | F | A | 0.4079 | |
| 88 | S | A | 0.1392 | |
| 89 | A | A | 0.6305 | |
| 90 | A | A | 0.0332 | |
| 91 | I | A | 0.0000 | |
| 92 | Y | A | 1.1008 | |
| 93 | G | A | 0.0386 | |
| 94 | L | A | -0.1111 | |
| 95 | P | A | -0.2784 | |
| 96 | P | A | -0.6262 | |
| 97 | H | A | -0.4002 | |
| 98 | V | A | 0.0000 | |
| 99 | F | A | 0.0000 | |
| 100 | C | A | 0.0000 | |
| 101 | R | A | -1.0102 | |
| 102 | I | A | 0.0000 | |
| 103 | L | A | -0.4678 | |
| 104 | D | A | -1.3851 | |
| 105 | V | A | -1.2060 | |
| 106 | K | A | -1.0133 | |
| 107 | L | A | -0.1370 | |
| 108 | H | A | -0.5054 | |
| 109 | A | A | -0.4543 | |
| 110 | E | A | -0.7059 | |
| 111 | T | A | -0.4753 | |
| 112 | T | A | -0.7183 | |
| 113 | T | A | -0.7143 | |
| 114 | D | A | 0.0000 | |
| 115 | E | A | -1.0009 | |
| 116 | V | A | 0.0000 | |
| 117 | Y | A | -0.4735 | |
| 118 | A | A | 0.0000 | |
| 119 | Q | A | -0.7998 | |
| 120 | V | A | 0.0000 | |
| 121 | S | A | -0.1530 | |
| 122 | L | A | 0.0000 | |
| 123 | L | A | 0.4623 | |
| 124 | P | A | 0.0000 | |
| 125 | E | A | -1.2447 | |
| 126 | S | A | -1.9244 | |
| 127 | E | A | -3.2613 | |
| 128 | D | A | -3.4067 | |
| 129 | I | A | -2.1855 | |
| 130 | E | A | -3.1885 | |
| 131 | R | A | -4.1490 | |
| 132 | K | A | -2.9662 | |
| 133 | V | A | 0.0000 | |
| 134 | R | A | -3.6003 | |
| 135 | E | A | -3.1767 | |
| 136 | G | A | -1.6855 | |
| 137 | I | A | 0.3123 | |
| 138 | I | A | -0.5830 | |
| 139 | D | A | -2.0443 | |
| 140 | V | A | -1.5189 | |
| 141 | D | A | -2.9762 | |
| 142 | G | A | -2.9491 | |
| 143 | G | A | -2.6560 | |
| 144 | E | A | -3.0902 | |
| 145 | E | A | -2.6476 | |
| 146 | D | A | -1.5885 | |
| 147 | Y | A | -0.3133 | |
| 148 | E | A | -1.1028 | |
| 149 | V | A | -0.4397 | |
| 150 | L | A | 0.1598 | |
| 151 | K | A | -1.7792 | |
| 152 | R | A | -2.2685 | |
| 153 | S | A | -1.5326 | |
| 154 | N | A | -2.3407 | |
| 155 | T | A | -1.8044 | |
| 156 | P | A | -1.7827 | |
| 157 | H | A | -1.7369 | |
| 158 | M | A | -0.2802 | |
| 159 | F | A | 0.0000 | |
| 160 | C | A | -0.1110 | |
| 161 | K | A | -0.5363 | |
| 162 | T | A | -0.7153 | |
| 163 | L | A | 0.0000 | |
| 164 | T | A | -0.0500 | |
| 165 | A | A | 0.0978 | |
| 166 | S | A | -0.4871 | |
| 167 | D | A | 0.0000 | |
| 168 | T | A | -0.3088 | |
| 169 | S | A | -0.4059 | |
| 170 | T | A | -0.8676 | |
| 171 | H | A | -1.1976 | |
| 172 | G | A | -0.7961 | |
| 173 | G | A | -0.5626 | |
| 174 | F | A | 0.0000 | |
| 175 | S | A | -0.5432 | |
| 176 | V | A | 0.0000 | |
| 177 | P | A | -1.6087 | |
| 178 | R | A | -2.8539 | |
| 179 | R | A | -3.3805 | |
| 180 | A | A | -2.2896 | |
| 181 | A | A | 0.0000 | |
| 182 | E | A | -3.5832 | |
| 183 | D | A | -3.2931 | |
| 184 | C | A | 0.0000 | |
| 185 | F | A | 0.0000 | |
| 186 | P | A | -1.3771 | |
| 187 | P | A | -1.0093 | |
| 188 | L | A | -1.0218 | |
| 189 | D | A | -1.2281 | |
| 190 | Y | A | -0.0543 | |
| 191 | S | A | -0.7479 | |
| 192 | Q | A | -1.7076 | |
| 193 | P | A | -1.6640 | |
| 194 | R | A | -2.5408 | |
| 195 | P | A | 0.0000 | |
| 196 | S | A | -1.5826 | |
| 197 | Q | A | -1.7842 | |
| 198 | E | A | -2.3016 | |
| 199 | L | A | 0.0000 | |
| 200 | L | A | -1.4268 | |
| 201 | A | A | 0.0000 | |
| 202 | R | A | -2.5138 | |
| 203 | D | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | H | A | -0.7643 | |
| 206 | G | A | -0.9967 | |
| 207 | L | A | -0.9128 | |
| 208 | E | A | -2.4057 | |
| 209 | W | A | 0.0000 | |
| 210 | R | A | -2.6901 | |
| 211 | F | A | 0.0000 | |
| 212 | R | A | -2.0426 | |
| 213 | H | A | 0.0000 | |
| 214 | I | A | 0.0000 | |
| 215 | Y | A | -1.5963 | |
| 216 | R | A | -2.6111 | |
| 217 | G | A | -2.3069 | |
| 218 | Q | A | -2.2663 | |
| 219 | P | A | -1.9633 | |
| 220 | R | A | -2.5901 | |
| 221 | R | A | -2.7791 | |
| 222 | H | A | 0.0000 | |
| 223 | L | A | -0.8789 | |
| 224 | L | A | 0.0000 | |
| 225 | T | A | -0.5653 | |
| 226 | T | A | -0.9856 | |
| 227 | G | A | -1.0939 | |
| 228 | W | A | 0.0000 | |
| 229 | S | A | -0.9474 | |
| 230 | A | A | -1.3411 | |
| 231 | F | A | 0.0000 | |
| 232 | V | A | 0.0000 | |
| 233 | N | A | -2.5154 | |
| 234 | K | A | -2.8428 | |
| 235 | K | A | 0.0000 | |
| 236 | K | A | -2.2993 | |
| 237 | L | A | 0.0000 | |
| 238 | V | A | 1.0215 | |
| 239 | S | A | 0.4934 | |
| 240 | G | A | -0.5947 | |
| 241 | D | A | 0.0000 | |
| 242 | A | A | 0.0000 | |
| 243 | V | A | 0.0000 | |
| 244 | L | A | 0.0000 | |
| 245 | F | A | 0.0000 | |
| 246 | L | A | 0.0000 | |
| 247 | R | A | -2.2949 | |
| 248 | G | A | 0.0000 | |
| 249 | D | A | -3.4847 | |
| 250 | D | A | -3.3081 | |
| 251 | G | A | -2.9030 | |
| 252 | K | A | -3.1100 | |
| 253 | L | A | 0.0000 | |
| 254 | R | A | -1.5566 | |
| 255 | L | A | 0.0000 | |
| 256 | G | A | 0.0000 | |
| 257 | V | A | 0.0000 | |
| 258 | R | A | -0.6284 | |
| 259 | R | A | -0.6391 | |
| 260 | A | A | -0.4713 | |
| 261 | S | A | -0.9326 | |
| 262 | Q | A | -0.9980 | |
| 263 | I | A | 0.3630 | |
| 264 | E | A | -1.3427 | |
| 265 | G | A | -0.6117 | |
| 266 | T | A | -0.0079 | |
| 267 | A | A | 0.0954 | |
| 268 | A | A | 0.2299 | |
| 269 | L | A | 0.9751 | |
| 270 | S | A | -0.0179 | |
| 271 | A | A | -0.7921 | |
| 272 | Q | A | -1.3322 | |
| 273 | Y | A | -0.8975 | |
| 274 | N | A | -1.8507 | |
| 275 | Q | A | -2.7739 | |
| 276 | N | A | -2.5651 | |
| 277 | M | A | -2.0184 | |
| 278 | N | A | -2.6292 | |
| 279 | H | A | -2.5666 | |
| 280 | N | A | -2.1247 | |
| 281 | N | A | -2.5828 | |
| 282 | F | A | 0.0000 | |
| 283 | S | A | -1.6708 | |
| 284 | E | A | -2.7967 | |
| 285 | V | A | 0.0000 | |
| 286 | A | A | -1.3028 | |
| 287 | H | A | -1.7436 | |
| 288 | A | A | 0.0000 | |
| 289 | I | A | 0.0000 | |
| 290 | S | A | -1.1122 | |
| 291 | T | A | -0.7129 | |
| 292 | H | A | -0.9050 | |
| 293 | S | A | -0.0918 | |
| 294 | V | A | 1.3948 | |
| 295 | F | A | 0.0000 | |
| 296 | S | A | -0.1748 | |
| 297 | I | A | 0.0000 | |
| 298 | S | A | -0.5913 | |
| 299 | Y | A | 0.0000 | |
| 300 | N | A | 0.0000 | |
| 301 | P | A | 0.0000 | |
| 302 | K | A | -0.8654 | |
| 303 | A | A | -0.5399 | |
| 304 | S | A | -0.2925 | |
| 305 | W | A | -0.0857 | |
| 306 | S | A | 0.0000 | |
| 307 | N | A | -0.3809 | |
| 308 | F | A | 0.0000 | |
| 309 | I | A | 0.0000 | |
| 310 | I | A | 0.0000 | |
| 311 | P | A | -0.8295 | |
| 312 | A | A | 0.0000 | |
| 313 | P | A | -2.0010 | |
| 314 | K | A | -1.8935 | |
| 315 | F | A | 0.0000 | |
| 316 | L | A | -1.4446 | |
| 317 | K | A | -2.0711 | |
| 318 | V | A | -1.2791 | |
| 319 | V | A | -0.9459 | |
| 320 | D | A | -1.7162 | |
| 321 | Y | A | -0.5590 | |
| 322 | P | A | 0.0637 | |
| 323 | F | A | 0.6884 | |
| 324 | C | A | 1.5044 | |
| 325 | I | A | 2.1943 | |
| 326 | G | A | 0.2532 | |
| 327 | M | A | 0.0000 | |
| 328 | R | A | -1.5990 | |
| 329 | F | A | 0.0000 | |
| 330 | K | A | -2.8926 | |
| 331 | A | A | 0.0000 | |
| 332 | R | A | -4.2841 | |
| 333 | V | A | -3.4657 | |
| 334 | E | A | -4.1577 | |
| 335 | S | A | -3.7477 | |
| 336 | E | A | -3.3718 | |
| 337 | D | A | -3.2988 | |
| 338 | A | A | -2.5830 | |
| 339 | S | A | -3.2589 | |
| 340 | E | A | -4.6318 | |
| 341 | R | A | -4.7119 | |
| 342 | R | A | -4.5692 | |
| 343 | S | A | -3.1568 | |
| 344 | P | A | -2.7633 | |
| 345 | G | A | 0.0000 | |
| 346 | I | A | -0.8754 | |
| 347 | I | A | 0.0000 | |
| 348 | S | A | 0.0667 | |
| 349 | G | A | 0.9507 | |
| 350 | I | A | 1.4861 | |
| 351 | S | A | 0.1079 | |
| 352 | D | A | -0.1739 | |
| 353 | L | A | 0.3297 | |
| 354 | D | A | 0.0478 | |
| 355 | P | A | 0.1143 | |
| 356 | I | A | 1.3749 | |
| 357 | R | A | 0.0085 | |
| 358 | W | A | 0.0000 | |
| 359 | P | A | -0.4701 | |
| 360 | G | A | -0.7607 | |
| 361 | S | A | 0.0000 | |
| 362 | K | A | -0.5616 | |
| 363 | W | A | 0.0000 | |
| 364 | R | A | 0.0000 | |
| 365 | C | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | L | A | 0.0985 | |
| 368 | V | A | 0.0000 | |
| 369 | R | A | -2.5971 | |
| 370 | W | A | -2.0964 | |
| 371 | D | A | -2.3264 | |
| 372 | D | A | -1.5165 | |
| 373 | I | A | 1.0153 | |
| 374 | V | A | 1.5696 | |
| 375 | A | A | 0.0372 | |
| 376 | N | A | -0.8154 | |
| 377 | G | A | -0.6284 | |
| 378 | H | A | -1.1623 | |
| 379 | Q | A | -1.5134 | |
| 380 | Q | A | -1.8999 | |
| 381 | R | A | -0.8825 | |
| 382 | V | A | 0.0000 | |
| 383 | S | A | 0.0000 | |
| 384 | P | A | 0.0000 | |
| 385 | W | A | 0.0000 | |
| 386 | E | A | -1.0879 | |
| 387 | I | A | 0.0000 | |
| 388 | E | A | -2.8730 | |
| 389 | P | A | -1.2541 | |
| 390 | S | A | -1.1360 | |
| 391 | G | A | -0.5688 | |
| 392 | S | A | 0.2748 | |
| 393 | I | A | 1.2440 | |
| 394 | S | A | -0.1096 | |
| 395 | N | A | -1.0977 | |
| 396 | S | A | -0.6286 | |
| 397 | G | A | -0.4247 | |
| 398 | S | A | 0.7584 | |
| 399 | F | A | 2.5275 | |
| 400 | V | A | 2.5500 | |
| 401 | T | A | 1.1166 | |
| 402 | T | A | 0.1206 | |
| 403 | G | A | -0.8902 | |
| 404 | P | A | -1.6761 | |
| 405 | K | A | -2.8445 | |
| 406 | R | A | -3.2266 | |
| 407 | S | A | -2.0402 | |
| 408 | R | A | -1.4888 | |
| 409 | I | A | 1.2615 | |
| 410 | G | A | 1.0195 | |
| 411 | F | A | 1.9873 | |
| 412 | S | A | 0.4048 | |
| 413 | S | A | -0.4758 | |
| 414 | G | A | -1.4821 | |
| 415 | K | A | -2.4445 | |
| 416 | P | A | -1.6660 | |
| 417 | D | A | -1.3373 | |
| 418 | I | A | 1.3520 | |
| 419 | P | A | 1.2820 | |
| 420 | V | A | 1.5636 | |
| 421 | S | A | -0.5661 | |
| 422 | E | A | -1.3651 | |
| 423 | G | A | -0.8159 | |
| 424 | I | A | 0.5371 | |
| 425 | R | A | -0.9567 | |
| 426 | A | A | -0.7270 | |
| 427 | T | A | -1.0197 | |
| 428 | D | A | -1.5716 | |
| 429 | F | A | -0.3612 | |
| 430 | E | A | -2.0899 | |
| 431 | E | A | -2.2739 | |
| 432 | S | A | -0.9335 | |
| 433 | L | A | 0.2058 | |
| 434 | R | A | -1.0535 | |
| 435 | F | A | 0.7016 | |
| 436 | Q | A | -0.7282 | |
| 437 | R | A | -1.0720 | |
| 438 | V | A | 1.2199 | |
| 439 | L | A | 0.9065 | |
| 440 | Q | A | -1.0706 | |
| 441 | G | A | -1.3087 | |
| 442 | Q | A | -1.7585 | |
| 443 | E | A | -1.2557 | |
| 444 | I | A | 1.6116 | |
| 445 | F | A | 2.3214 | |
| 446 | P | A | 1.3470 | |
| 447 | G | A | 1.5719 | |
| 448 | F | A | 2.5740 | |
| 449 | I | A | 2.1687 | |
| 450 | N | A | 0.2345 | |
| 451 | T | A | -0.1084 | |
| 452 | C | A | -0.0935 | |
| 453 | S | A | -1.0355 | |
| 454 | D | A | -2.0849 | |
| 455 | G | A | -1.6182 | |
| 456 | G | A | -1.2284 | |
| 457 | A | A | -0.5076 | |
| 458 | G | A | -1.0950 | |
| 459 | A | A | -1.9714 | |
| 460 | R | A | -3.7485 | |
| 461 | R | A | -4.5060 | |
| 462 | G | A | -3.1208 | |
| 463 | R | A | -2.2068 | |
| 464 | F | A | -0.0868 | |
| 465 | K | A | -1.2362 | |
| 466 | G | A | -1.2992 | |
| 467 | T | A | -1.0779 | |
| 468 | E | A | -1.1418 | |
| 469 | F | A | 0.4571 | |
| 470 | G | A | -0.7810 | |
| 471 | D | A | -1.4587 | |
| 472 | S | A | -0.4578 | |
| 473 | Y | A | 0.9677 | |
| 474 | G | A | 0.3560 | |
| 475 | F | A | 1.3026 | |
| 476 | H | A | -0.1657 | |
| 477 | K | A | -0.5550 | |
| 478 | V | A | 1.2838 | |
| 479 | L | A | 0.8895 | |
| 480 | Q | A | -0.6717 | |
| 481 | G | A | -1.4481 | |
| 482 | Q | A | -2.1490 | |
| 483 | E | A | -2.0958 | |
| 484 | T | A | -0.5155 | |
| 485 | V | A | 1.1392 | |
| 486 | P | A | 0.7097 | |
| 487 | A | A | 1.2139 | |
| 488 | Y | A | 1.9104 | |
| 489 | S | A | 1.1755 | |
| 490 | I | A | 1.8052 | |
| 491 | T | A | -0.0966 | |
| 492 | D | A | -2.2580 | |
| 493 | H | A | -3.0583 | |
| 494 | R | A | -3.5775 | |
| 495 | Q | A | -3.2037 | |
| 496 | Q | A | -2.8109 | |
| 497 | H | A | -1.7290 | |
| 498 | G | A | -0.4978 | |
| 499 | L | A | 0.7108 | |
| 500 | S | A | -0.4995 | |
| 501 | Q | A | -2.0588 | |
| 502 | R | A | -2.4331 | |
| 503 | N | A | -0.9247 | |
| 504 | I | A | 1.6175 | |
| 505 | W | A | 1.9280 | |
| 506 | C | A | 1.3788 | |
| 507 | G | A | 0.4100 | |
| 508 | P | A | 0.2083 | |
| 509 | F | A | 0.8744 | |
| 510 | Q | A | -0.5301 | |
| 511 | N | A | -0.5664 | |
| 512 | F | A | 0.9258 | |
| 513 | S | A | -0.0171 | |
| 514 | T | A | -0.1605 | |
| 515 | R | A | -0.6030 | |
| 516 | I | A | 1.7006 | |
| 517 | L | A | 1.7639 | |
| 518 | P | A | 0.7562 | |
| 519 | P | A | 0.4806 | |
| 520 | S | A | 0.5743 | |
| 521 | V | A | 1.4030 | |
| 522 | S | A | 0.4089 | |
| 523 | S | A | -0.0577 | |
| 524 | S | A | -0.3542 | |
| 525 | P | A | -0.3713 | |
| 526 | S | A | -0.1092 | |
| 527 | S | A | 0.7941 | |
| 528 | V | A | 2.7287 | |
| 529 | L | A | 3.1098 | |
| 530 | L | A | 2.3797 | |
| 531 | T | A | 0.3661 | |
| 532 | N | A | -1.3137 | |
| 533 | S | A | -1.5334 | |
| 534 | N | A | -1.8055 | |
| 535 | S | A | -1.2895 | |
| 536 | P | A | -1.3605 | |
| 537 | N | A | -2.0759 | |
| 538 | G | A | -1.7240 | |
| 539 | R | A | -1.8820 | |
| 540 | L | A | -0.8156 | |
| 541 | E | A | -2.6407 | |
| 542 | D | A | -3.4280 | |
| 543 | H | A | -4.0420 | |
| 544 | H | A | -4.2414 | |
| 545 | G | A | -3.0090 | |
| 546 | G | A | -2.1361 | |
| 547 | S | A | -1.5213 | |
| 548 | G | A | -1.4250 | |
| 549 | R | A | -2.1947 | |
| 550 | C | A | -0.6720 | |
| 551 | R | A | -0.2057 | |
| 552 | L | A | 2.2535 | |
| 553 | F | A | 2.6771 | |
| 554 | G | A | 1.6858 | |
| 555 | F | A | 2.5633 | |
| 556 | P | A | 1.5618 | |
| 557 | L | A | 1.2144 | |
| 558 | T | A | -0.4452 | |
| 559 | D | A | -2.4243 | |
| 560 | E | A | -2.6619 | |
| 561 | T | A | -1.3676 | |
| 562 | T | A | -0.0875 | |
| 563 | A | A | 0.9181 | |
| 564 | V | A | 1.7717 | |
| 565 | A | A | 0.8148 | |
| 566 | S | A | 0.2037 | |
| 567 | A | A | -0.0571 | |
| 568 | T | A | 0.2954 | |
| 569 | A | A | 0.9222 | |
| 570 | V | A | 1.8102 | |
| 571 | P | A | 1.4489 | |
| 572 | C | A | 1.4351 | |
| 573 | V | A | 1.1065 | |
| 574 | E | A | -1.3064 | |
| 575 | G | A | -1.6194 | |
| 576 | N | A | -1.8066 | |
| 577 | S | A | -0.8243 | |
| 578 | M | A | -0.2274 | |
| 579 | K | A | -1.4457 | |
| 580 | G | A | -1.0824 | |
| 581 | A | A | -0.6736 | |
| 582 | S | A | 0.1500 | |
| 583 | A | A | 0.5405 | |
| 584 | V | A | 1.1161 | |
| 585 | Q | A | -0.6820 | |
| 586 | S | A | -1.2337 | |
| 587 | N | A | -2.4356 | |
| 588 | H | A | -2.4548 | |
| 589 | H | A | -2.3166 | |
| 590 | H | A | -2.3008 | |
| 591 | S | A | -1.9432 | |
| 592 | Q | A | -2.4847 | |
| 593 | G | A | -2.2020 | |
| 594 | R | A | -2.3612 | |
| 595 | D | A | -1.2830 | |
| 596 | I | A | 1.0547 | |
| 597 | Y | A | 0.9962 | |
| 598 | A | A | 0.3391 | |
| 599 | M | A | 0.7914 | |
| 600 | R | A | -0.7250 | |
| 601 | D | A | -0.7370 | |
| 602 | M | A | 0.8976 | |
| 603 | L | A | 1.8884 | |
| 604 | L | A | 1.6417 | |
| 605 | D | A | 0.3899 | |
| 606 | I | A | 2.5873 | |
| 607 | A | A | 2.0364 | |
| 608 | L | A | 2.1849 |
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 | -0.3869 | 6.5964 | View | CSV | PDB |
| 4.5 | -0.4592 | 6.5097 | View | CSV | PDB |
| 5.0 | -0.5496 | 6.4014 | View | CSV | PDB |
| 5.5 | -0.6426 | 6.289 | View | CSV | PDB |
| 6.0 | -0.7235 | 6.2468 | View | CSV | PDB |
| 6.5 | -0.7834 | 6.2468 | View | CSV | PDB |
| 7.0 | -0.8221 | 6.2468 | View | CSV | PDB |
| 7.5 | -0.8467 | 6.2468 | View | CSV | PDB |
| 8.0 | -0.8631 | 6.2468 | View | CSV | PDB |
| 8.5 | -0.8718 | 6.2468 | View | CSV | PDB |
| 9.0 | -0.8705 | 6.2468 | 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