| Chain sequence(s) |
A: MALWRPSDNTVYLPPPSVARVVNTDDYVTPTSIFYHAGSSRLLTVGNPYFRVPAGGGNKQDIPKVSAYQYRVFRVQLPDPNKFGLPDTSIYNPETQRLVWACAGVEIGRGQPLGVGLSGHPFYNKLDDTESSHAATSNVSEDVRDNVSVDYKQTQLCILGCAPAIGEHWAKGTACKSRPLSQGDCPPLELKNTVLEDGDMVDTGYGAMDFSTLQDTKCEVPLDICQSICKYPDYLQMSADPYGDSMFFCLRREQLFARHFWNRAGTMGDTVPQSLYIKGTGMPASPGSCVYSPSPSGSIVTSDSQLFNKPYWLHKAQGHNNGVCWHNQLFVTVVDTTPSTNLTICASTQSPVPGQYDATKFKQYSRHVEEYDLQFIFQLCTITLTADVMSYIHSMNSSILEDWNFGVPPPPTTSLVDTYRFVQSVAITCQKDAAPAENKDPYDKLKFWNVDLKEKFSLDLDQYPLGRKFLVQAGLRRKPTIGPRKRSAPSATTSSKPAKRVRVRARK
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 (00:04:31)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/4df7c6bd5121041/tmp/folded.pdb (00:04:31)
[INFO] Main: Simulation completed successfully. (00:08:42)
|
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 | 1.6221 | |
| 2 | A | A | 1.4106 | |
| 3 | L | A | 1.9321 | |
| 4 | W | A | 1.1273 | |
| 5 | R | A | -1.2354 | |
| 6 | P | A | -1.3286 | |
| 7 | S | A | -1.9108 | |
| 8 | D | A | -2.5721 | |
| 9 | N | A | -1.5272 | |
| 10 | T | A | 0.2033 | |
| 11 | V | A | 2.1702 | |
| 12 | Y | A | 2.6171 | |
| 13 | L | A | 2.4773 | |
| 14 | P | A | 0.8788 | |
| 15 | P | A | 0.3507 | |
| 16 | P | A | 0.2145 | |
| 17 | S | A | 0.0732 | |
| 18 | V | A | 1.0610 | |
| 19 | A | A | 0.0556 | |
| 20 | R | A | -1.0700 | |
| 21 | V | A | -0.1569 | |
| 22 | V | A | -0.5745 | |
| 23 | N | A | -1.1845 | |
| 24 | T | A | 0.0000 | |
| 25 | D | A | -2.5881 | |
| 26 | D | A | -2.3809 | |
| 27 | Y | A | -1.2737 | |
| 28 | V | A | 0.0000 | |
| 29 | T | A | -0.8145 | |
| 30 | P | A | -0.5274 | |
| 31 | T | A | -0.0729 | |
| 32 | S | A | -0.1220 | |
| 33 | I | A | 0.3585 | |
| 34 | F | A | 0.2281 | |
| 35 | Y | A | 0.0000 | |
| 36 | H | A | 0.0000 | |
| 37 | A | A | 0.0000 | |
| 38 | G | A | -1.0628 | |
| 39 | S | A | -1.2179 | |
| 40 | S | A | -1.3671 | |
| 41 | R | A | -1.8352 | |
| 42 | L | A | -0.4956 | |
| 43 | L | A | 0.7411 | |
| 44 | T | A | 1.1164 | |
| 45 | V | A | 1.5685 | |
| 46 | G | A | 0.0000 | |
| 47 | N | A | 0.0000 | |
| 48 | P | A | 0.0000 | |
| 49 | Y | A | 0.6006 | |
| 50 | F | A | 0.4295 | |
| 51 | R | A | -1.3187 | |
| 52 | V | A | -0.7930 | |
| 53 | P | A | -1.4552 | |
| 54 | A | A | -2.1967 | |
| 55 | G | A | -1.8660 | |
| 56 | G | A | -1.4559 | |
| 57 | G | A | -1.8860 | |
| 58 | N | A | -2.8473 | |
| 59 | K | A | -3.2443 | |
| 60 | Q | A | -2.8640 | |
| 61 | D | A | -2.4532 | |
| 62 | I | A | -1.0103 | |
| 63 | P | A | -0.7076 | |
| 64 | K | A | -0.3894 | |
| 65 | V | A | 0.0000 | |
| 66 | S | A | 0.0000 | |
| 67 | A | A | 0.0000 | |
| 68 | Y | A | 0.0000 | |
| 69 | Q | A | 0.0000 | |
| 70 | Y | A | 0.0000 | |
| 71 | R | A | 0.0000 | |
| 72 | V | A | 0.0000 | |
| 73 | F | A | 0.0000 | |
| 74 | R | A | -1.1801 | |
| 75 | V | A | 0.0000 | |
| 76 | Q | A | -2.0306 | |
| 77 | L | A | 0.0000 | |
| 78 | P | A | 0.0000 | |
| 79 | D | A | -1.9222 | |
| 80 | P | A | 0.0000 | |
| 81 | N | A | -1.2313 | |
| 82 | K | A | -1.9012 | |
| 83 | F | A | -0.9903 | |
| 84 | G | A | -0.9087 | |
| 85 | L | A | -0.5751 | |
| 86 | P | A | -0.7295 | |
| 87 | D | A | -1.4219 | |
| 88 | T | A | -0.8707 | |
| 89 | S | A | -0.5963 | |
| 90 | I | A | -0.0889 | |
| 91 | Y | A | -0.7451 | |
| 92 | N | A | -1.6786 | |
| 93 | P | A | -1.6879 | |
| 94 | E | A | -2.3219 | |
| 95 | T | A | -1.3957 | |
| 96 | Q | A | -1.2115 | |
| 97 | R | A | -0.8455 | |
| 98 | L | A | 0.0000 | |
| 99 | V | A | 0.0000 | |
| 100 | W | A | 0.0000 | |
| 101 | A | A | 0.0000 | |
| 102 | C | A | 0.0000 | |
| 103 | A | A | -0.2518 | |
| 104 | G | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | E | A | -0.8743 | |
| 107 | I | A | 0.0000 | |
| 108 | G | A | -1.2187 | |
| 109 | R | A | 0.0000 | |
| 110 | G | A | -0.6723 | |
| 111 | Q | A | -0.4330 | |
| 112 | P | A | 0.0291 | |
| 113 | L | A | 0.8196 | |
| 114 | G | A | 1.2329 | |
| 115 | V | A | 2.2954 | |
| 116 | G | A | 0.0000 | |
| 117 | L | A | 1.3089 | |
| 118 | S | A | 0.0000 | |
| 119 | G | A | 0.1024 | |
| 120 | H | A | 0.0000 | |
| 121 | P | A | -0.7171 | |
| 122 | F | A | -0.3773 | |
| 123 | Y | A | 0.0000 | |
| 124 | N | A | 0.0000 | |
| 125 | K | A | -0.7625 | |
| 126 | L | A | -0.6047 | |
| 127 | D | A | -0.8699 | |
| 128 | D | A | -2.0006 | |
| 129 | T | A | -1.3991 | |
| 130 | E | A | -2.3942 | |
| 131 | S | A | -1.6347 | |
| 132 | S | A | -1.6283 | |
| 133 | H | A | -1.4344 | |
| 134 | A | A | -0.5892 | |
| 135 | A | A | -0.4926 | |
| 136 | T | A | -0.2327 | |
| 137 | S | A | -0.5731 | |
| 138 | N | A | -1.2749 | |
| 139 | V | A | -0.8337 | |
| 140 | S | A | -1.3551 | |
| 141 | E | A | -2.4940 | |
| 142 | D | A | -2.1892 | |
| 143 | V | A | -1.0122 | |
| 144 | R | A | -1.6367 | |
| 145 | D | A | -1.9934 | |
| 146 | N | A | -1.8321 | |
| 147 | V | A | -0.9325 | |
| 148 | S | A | -0.3076 | |
| 149 | V | A | 0.0000 | |
| 150 | D | A | 0.0000 | |
| 151 | Y | A | 0.0000 | |
| 152 | K | A | 0.0000 | |
| 153 | Q | A | -0.1266 | |
| 154 | T | A | 0.0000 | |
| 155 | Q | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | C | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | G | A | 0.0000 | |
| 161 | C | A | 0.0000 | |
| 162 | A | A | -0.0101 | |
| 163 | P | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | I | A | 0.2100 | |
| 166 | G | A | 0.0000 | |
| 167 | E | A | -0.6485 | |
| 168 | H | A | 0.0000 | |
| 169 | W | A | 0.3919 | |
| 170 | A | A | 0.0000 | |
| 171 | K | A | -0.9612 | |
| 172 | G | A | -0.5931 | |
| 173 | T | A | -0.4125 | |
| 174 | A | A | -0.4841 | |
| 175 | C | A | -0.7165 | |
| 176 | K | A | -2.0114 | |
| 177 | S | A | -1.6536 | |
| 178 | R | A | -2.1940 | |
| 179 | P | A | -1.4725 | |
| 180 | L | A | -0.6952 | |
| 181 | S | A | -1.1906 | |
| 182 | Q | A | -1.7264 | |
| 183 | G | A | -1.6224 | |
| 184 | D | A | -1.9241 | |
| 185 | C | A | -0.5068 | |
| 186 | P | A | -0.3868 | |
| 187 | P | A | 0.0033 | |
| 188 | L | A | 0.2736 | |
| 189 | E | A | -0.8359 | |
| 190 | L | A | -0.2324 | |
| 191 | K | A | -1.1687 | |
| 192 | N | A | -1.3987 | |
| 193 | T | A | -0.5411 | |
| 194 | V | A | -0.1458 | |
| 195 | L | A | 0.0000 | |
| 196 | E | A | -0.9026 | |
| 197 | D | A | -1.0004 | |
| 198 | G | A | -0.7135 | |
| 199 | D | A | -0.5751 | |
| 200 | M | A | 0.0000 | |
| 201 | V | A | 0.0000 | |
| 202 | D | A | -0.1044 | |
| 203 | T | A | 0.0000 | |
| 204 | G | A | -0.0282 | |
| 205 | Y | A | -0.0487 | |
| 206 | G | A | 0.0195 | |
| 207 | A | A | 0.3128 | |
| 208 | M | A | 0.3510 | |
| 209 | D | A | -0.1563 | |
| 210 | F | A | 0.0000 | |
| 211 | S | A | -1.3089 | |
| 212 | T | A | -1.0574 | |
| 213 | L | A | -0.7417 | |
| 214 | Q | A | -1.6551 | |
| 215 | D | A | -2.4181 | |
| 216 | T | A | -1.4986 | |
| 217 | K | A | -1.7818 | |
| 218 | C | A | 0.0000 | |
| 219 | E | A | 0.0000 | |
| 220 | V | A | 0.0000 | |
| 221 | P | A | 0.0000 | |
| 222 | L | A | 0.3905 | |
| 223 | D | A | 0.0000 | |
| 224 | I | A | 0.0000 | |
| 225 | C | A | 0.0000 | |
| 226 | Q | A | -1.3990 | |
| 227 | S | A | -0.3392 | |
| 228 | I | A | 0.4038 | |
| 229 | C | A | 0.0000 | |
| 230 | K | A | 0.0000 | |
| 231 | Y | A | 0.1511 | |
| 232 | P | A | 0.0000 | |
| 233 | D | A | 0.0078 | |
| 234 | Y | A | 0.5728 | |
| 235 | L | A | 1.1057 | |
| 236 | Q | A | -0.3350 | |
| 237 | M | A | 0.0000 | |
| 238 | S | A | -0.2394 | |
| 239 | A | A | -0.1004 | |
| 240 | D | A | -0.4798 | |
| 241 | P | A | -0.5226 | |
| 242 | Y | A | 0.0445 | |
| 243 | G | A | 0.0000 | |
| 244 | D | A | -0.2906 | |
| 245 | S | A | 0.0000 | |
| 246 | M | A | -0.0938 | |
| 247 | F | A | 0.0000 | |
| 248 | F | A | 0.0345 | |
| 249 | C | A | -0.0647 | |
| 250 | L | A | -0.6859 | |
| 251 | R | A | -2.3577 | |
| 252 | R | A | -2.5908 | |
| 253 | E | A | -2.1651 | |
| 254 | Q | A | -0.9233 | |
| 255 | L | A | 0.6540 | |
| 256 | F | A | 0.8140 | |
| 257 | A | A | -0.1655 | |
| 258 | R | A | -1.5170 | |
| 259 | H | A | -1.7140 | |
| 260 | F | A | -0.7254 | |
| 261 | W | A | 0.0000 | |
| 262 | N | A | 0.0000 | |
| 263 | R | A | 0.4447 | |
| 264 | A | A | -0.4315 | |
| 265 | G | A | -0.3556 | |
| 266 | T | A | -0.4818 | |
| 267 | M | A | -0.1886 | |
| 268 | G | A | -1.2798 | |
| 269 | D | A | -1.6907 | |
| 270 | T | A | -0.9430 | |
| 271 | V | A | -0.1106 | |
| 272 | P | A | -0.4429 | |
| 273 | Q | A | -0.6383 | |
| 274 | S | A | 0.2042 | |
| 275 | L | A | 1.4365 | |
| 276 | Y | A | 1.1556 | |
| 277 | I | A | 1.3073 | |
| 278 | K | A | -0.9545 | |
| 279 | G | A | -0.6310 | |
| 280 | T | A | -0.4272 | |
| 281 | G | A | -0.1425 | |
| 282 | M | A | 0.4495 | |
| 283 | P | A | -0.3943 | |
| 284 | A | A | -0.4253 | |
| 285 | S | A | -0.7205 | |
| 286 | P | A | -0.4360 | |
| 287 | G | A | 0.0514 | |
| 288 | S | A | 0.8611 | |
| 289 | C | A | 1.7545 | |
| 290 | V | A | 2.4109 | |
| 291 | Y | A | 2.2480 | |
| 292 | S | A | 1.0388 | |
| 293 | P | A | -0.0518 | |
| 294 | S | A | 0.0000 | |
| 295 | P | A | 0.0000 | |
| 296 | S | A | 0.0000 | |
| 297 | G | A | 0.0000 | |
| 298 | S | A | 1.1272 | |
| 299 | I | A | 2.2143 | |
| 300 | V | A | 1.1767 | |
| 301 | T | A | 0.0097 | |
| 302 | S | A | -0.9728 | |
| 303 | D | A | -1.9109 | |
| 304 | S | A | -1.1305 | |
| 305 | Q | A | -1.0972 | |
| 306 | L | A | -1.0985 | |
| 307 | F | A | 0.0000 | |
| 308 | N | A | -1.8517 | |
| 309 | K | A | -1.6263 | |
| 310 | P | A | -0.8866 | |
| 311 | Y | A | -0.0927 | |
| 312 | W | A | -0.1139 | |
| 313 | L | A | -0.5845 | |
| 314 | H | A | -1.6583 | |
| 315 | K | A | -2.6034 | |
| 316 | A | A | 0.0000 | |
| 317 | Q | A | -1.6867 | |
| 318 | G | A | -1.1576 | |
| 319 | H | A | -1.1385 | |
| 320 | N | A | 0.0000 | |
| 321 | N | A | -1.4136 | |
| 322 | G | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | C | A | 0.0000 | |
| 325 | W | A | 0.0000 | |
| 326 | H | A | -1.0176 | |
| 327 | N | A | -1.1231 | |
| 328 | Q | A | 0.0000 | |
| 329 | L | A | 0.0000 | |
| 330 | F | A | 0.0000 | |
| 331 | V | A | 0.0000 | |
| 332 | T | A | 0.0000 | |
| 333 | V | A | 0.0000 | |
| 334 | V | A | 0.0000 | |
| 335 | D | A | 0.0000 | |
| 336 | T | A | 0.0000 | |
| 337 | T | A | 0.0000 | |
| 338 | P | A | 0.0000 | |
| 339 | S | A | 0.0000 | |
| 340 | T | A | 0.9484 | |
| 341 | N | A | 0.8746 | |
| 342 | L | A | 1.3895 | |
| 343 | T | A | 0.8388 | |
| 344 | I | A | 1.0324 | |
| 345 | C | A | 0.5652 | |
| 346 | A | A | -0.0608 | |
| 347 | S | A | -0.4574 | |
| 348 | T | A | -0.7316 | |
| 349 | Q | A | -0.9016 | |
| 350 | S | A | -0.3167 | |
| 351 | P | A | 0.0671 | |
| 352 | V | A | 1.0298 | |
| 353 | P | A | -0.0483 | |
| 354 | G | A | -0.4346 | |
| 355 | Q | A | -0.7068 | |
| 356 | Y | A | 0.4626 | |
| 357 | D | A | -0.4537 | |
| 358 | A | A | -0.5293 | |
| 359 | T | A | -0.5322 | |
| 360 | K | A | -0.8128 | |
| 361 | F | A | -0.6046 | |
| 362 | K | A | -1.4442 | |
| 363 | Q | A | -1.0209 | |
| 364 | Y | A | 0.2086 | |
| 365 | S | A | 0.4406 | |
| 366 | R | A | 0.7179 | |
| 367 | H | A | 0.0000 | |
| 368 | V | A | 0.9960 | |
| 369 | E | A | 0.0000 | |
| 370 | E | A | -0.3034 | |
| 371 | Y | A | 0.0000 | |
| 372 | D | A | -1.1728 | |
| 373 | L | A | 0.0000 | |
| 374 | Q | A | -0.3713 | |
| 375 | F | A | 0.0000 | |
| 376 | I | A | 0.0000 | |
| 377 | F | A | 0.0000 | |
| 378 | Q | A | -0.0936 | |
| 379 | L | A | 0.0000 | |
| 380 | C | A | 0.0000 | |
| 381 | T | A | 0.0000 | |
| 382 | I | A | 0.0000 | |
| 383 | T | A | -0.3792 | |
| 384 | L | A | -0.4023 | |
| 385 | T | A | -0.4301 | |
| 386 | A | A | -0.6954 | |
| 387 | D | A | -1.7098 | |
| 388 | V | A | -0.8706 | |
| 389 | M | A | -0.4870 | |
| 390 | S | A | -1.0166 | |
| 391 | Y | A | -0.7937 | |
| 392 | I | A | 0.0000 | |
| 393 | H | A | -1.5873 | |
| 394 | S | A | -0.7587 | |
| 395 | M | A | -0.4887 | |
| 396 | N | A | -1.1757 | |
| 397 | S | A | -1.4592 | |
| 398 | S | A | -1.8955 | |
| 399 | I | A | 0.0000 | |
| 400 | L | A | 0.0000 | |
| 401 | E | A | -2.9323 | |
| 402 | D | A | -3.2453 | |
| 403 | W | A | -1.9499 | |
| 404 | N | A | -1.9087 | |
| 405 | F | A | -0.4758 | |
| 406 | G | A | -0.5931 | |
| 407 | V | A | 1.1697 | |
| 408 | P | A | 0.0262 | |
| 409 | P | A | -0.1394 | |
| 410 | P | A | -0.3322 | |
| 411 | P | A | -0.5769 | |
| 412 | T | A | 0.0433 | |
| 413 | T | A | 0.3143 | |
| 414 | S | A | 0.7120 | |
| 415 | L | A | 1.7733 | |
| 416 | V | A | 1.6419 | |
| 417 | D | A | -0.5831 | |
| 418 | T | A | 0.1272 | |
| 419 | Y | A | 0.4698 | |
| 420 | R | A | -0.4833 | |
| 421 | F | A | 1.9905 | |
| 422 | V | A | 1.9155 | |
| 423 | Q | A | 0.5683 | |
| 424 | S | A | 1.3392 | |
| 425 | V | A | 2.1501 | |
| 426 | A | A | 1.4190 | |
| 427 | I | A | 1.5286 | |
| 428 | T | A | 0.5184 | |
| 429 | C | A | 0.0161 | |
| 430 | Q | A | -1.2708 | |
| 431 | K | A | -2.3802 | |
| 432 | D | A | -2.6347 | |
| 433 | A | A | -1.4079 | |
| 434 | A | A | -1.3521 | |
| 435 | P | A | -1.1020 | |
| 436 | A | A | -1.7922 | |
| 437 | E | A | -3.1033 | |
| 438 | N | A | -3.4395 | |
| 439 | K | A | -3.6448 | |
| 440 | D | A | -3.0883 | |
| 441 | P | A | -1.9389 | |
| 442 | Y | A | -1.9656 | |
| 443 | D | A | -3.3731 | |
| 444 | K | A | -2.8915 | |
| 445 | L | A | -1.9594 | |
| 446 | K | A | -2.4903 | |
| 447 | F | A | -1.4378 | |
| 448 | W | A | -0.9925 | |
| 449 | N | A | -1.9641 | |
| 450 | V | A | 0.0000 | |
| 451 | D | A | -3.2358 | |
| 452 | L | A | 0.0000 | |
| 453 | K | A | -3.3094 | |
| 454 | E | A | -3.2572 | |
| 455 | K | A | -2.5558 | |
| 456 | F | A | -1.1331 | |
| 457 | S | A | -0.8426 | |
| 458 | L | A | -0.3342 | |
| 459 | D | A | -2.2325 | |
| 460 | L | A | 0.0000 | |
| 461 | D | A | -2.9342 | |
| 462 | Q | A | -2.3827 | |
| 463 | Y | A | -1.4707 | |
| 464 | P | A | -1.1692 | |
| 465 | L | A | 0.0000 | |
| 466 | G | A | 0.0000 | |
| 467 | R | A | -2.0351 | |
| 468 | K | A | -1.1470 | |
| 469 | F | A | 0.0000 | |
| 470 | L | A | -0.5521 | |
| 471 | V | A | 0.3074 | |
| 472 | Q | A | -0.3149 | |
| 473 | A | A | -0.0949 | |
| 474 | G | A | -0.2586 | |
| 475 | L | A | -0.4277 | |
| 476 | R | A | -2.4500 | |
| 477 | R | A | -3.3779 | |
| 478 | K | A | -3.0522 | |
| 479 | P | A | -1.5797 | |
| 480 | T | A | -0.3139 | |
| 481 | I | A | 1.2008 | |
| 482 | G | A | -0.5052 | |
| 483 | P | A | -1.6187 | |
| 484 | R | A | -3.1858 | |
| 485 | K | A | -3.5470 | |
| 486 | R | A | -3.2899 | |
| 487 | S | A | -1.8515 | |
| 488 | A | A | -0.9789 | |
| 489 | P | A | -0.6529 | |
| 490 | S | A | -0.3531 | |
| 491 | A | A | -0.1879 | |
| 492 | T | A | -0.2561 | |
| 493 | T | A | -0.4961 | |
| 494 | S | A | -0.8322 | |
| 495 | S | A | -1.2242 | |
| 496 | K | A | -2.1937 | |
| 497 | P | A | -1.7560 | |
| 498 | A | A | -1.5689 | |
| 499 | K | A | -2.6107 | |
| 500 | R | A | -2.1005 | |
| 501 | V | A | -0.1968 | |
| 502 | R | A | -1.2954 | |
| 503 | V | A | 0.0473 | |
| 504 | R | A | -1.6861 | |
| 505 | A | A | -1.8942 | |
| 506 | R | A | -2.8998 | |
| 507 | K | A | -2.5795 |
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 | -0.2344 | 4.668 | View | CSV | PDB |
| 4.5 | -0.2924 | 4.668 | View | CSV | PDB |
| 5.0 | -0.3571 | 4.668 | View | CSV | PDB |
| 5.5 | -0.4185 | 4.668 | View | CSV | PDB |
| 6.0 | -0.4671 | 4.668 | View | CSV | PDB |
| 6.5 | -0.4977 | 4.668 | View | CSV | PDB |
| 7.0 | -0.5114 | 4.6679 | View | CSV | PDB |
| 7.5 | -0.513 | 4.6679 | View | CSV | PDB |
| 8.0 | -0.5055 | 4.6678 | View | CSV | PDB |
| 8.5 | -0.4873 | 4.6675 | View | CSV | PDB |
| 9.0 | -0.456 | 4.6664 | 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