| Chain sequence(s) |
A: MGHHHHHHGSDSEVNQEAKPEVKPEVKPETHINLKVSDGSSEIFFKIKKTTPLRRLMEAFAKRQGKEMDSLRFLYDGIRIQADQAPEDLDMEDNDIIEAHREQIGGNYLVIGAGNAGRPVARLLNNQNHKVIITDPKQLSDFKQDVQSILKQMEKEGVILDLGNDNPSIDGIDKVYKAPSLPDSVPIAKKVAEANLEVITNEDFSKMVNDLIPVDIIGITGTMGKTTNTFITTSIFKQAGYKVWSCSSLVNNLVSEAIIDGIVKGKAQNCDIAIFELPHGTIGLLNELDIKIGLLTNIAEDHLSEFGGSLEKYQQRKLILEKMSETFIANNSCRDIIAPVRGNALYYALDDDCDFIGTAGDEKLTIKYSKGEFTTPFHMVSYFFENSVGASSVALTYGVSPEDITGALSEFKGLPAHMEDVGEYNGRKVILDSAFLYDGMKITLEYFKDDNVVLFLDHFDTLSKRDKAEVGQLVGQYVDVIIASGFNEVNQTVEMDAAYEVLDAIENPSAIKVATRDITEAAALTFKYSKPGDIILHMGPLIAYDRITTVEKIMKGLEEGSKKYE
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 globular. Max score is recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:22:05)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a75fc62afcf2c91/tmp/folded.pdb (00:22:05)
[INFO] Main: Simulation completed successfully. (00:34:18)
|
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 | 0.5818 | |
| 2 | G | A | -0.5487 | |
| 3 | H | A | -1.6998 | |
| 4 | H | A | -2.2967 | |
| 5 | H | A | -2.4229 | |
| 6 | H | A | -2.4055 | |
| 7 | H | A | -2.2843 | |
| 8 | H | A | -1.9692 | |
| 9 | G | A | -1.6545 | |
| 10 | S | A | -1.5652 | |
| 11 | D | A | -2.3477 | |
| 12 | S | A | -1.7682 | |
| 13 | E | A | -1.9687 | |
| 14 | V | A | -0.4943 | |
| 15 | N | A | -1.9145 | |
| 16 | Q | A | -2.6680 | |
| 17 | E | A | -2.9318 | |
| 18 | A | A | -2.3851 | |
| 19 | K | A | -2.5905 | |
| 20 | P | A | -1.8797 | |
| 21 | E | A | -1.9871 | |
| 22 | V | A | -0.6006 | |
| 23 | K | A | -1.7099 | |
| 24 | P | A | -1.4861 | |
| 25 | E | A | -1.7507 | |
| 26 | V | A | -0.6054 | |
| 27 | K | A | -2.0289 | |
| 28 | P | A | -1.8120 | |
| 29 | E | A | -2.6071 | |
| 30 | T | A | -1.9776 | |
| 31 | H | A | -2.5629 | |
| 32 | I | A | 0.0000 | |
| 33 | N | A | -1.9324 | |
| 34 | L | A | 0.0000 | |
| 35 | K | A | -0.6063 | |
| 36 | V | A | 0.0000 | |
| 37 | S | A | -1.1846 | |
| 38 | D | A | -1.8307 | |
| 39 | G | A | -1.3715 | |
| 40 | S | A | -0.9517 | |
| 41 | S | A | -1.2557 | |
| 42 | E | A | -1.5939 | |
| 43 | I | A | 0.1315 | |
| 44 | F | A | 1.0527 | |
| 45 | F | A | -0.1220 | |
| 46 | K | A | -2.0113 | |
| 47 | I | A | 0.0000 | |
| 48 | K | A | -2.4941 | |
| 49 | K | A | -3.0885 | |
| 50 | T | A | -1.5507 | |
| 51 | T | A | -1.6560 | |
| 52 | P | A | -2.4215 | |
| 53 | L | A | 0.0000 | |
| 54 | R | A | -3.1767 | |
| 55 | R | A | -3.0209 | |
| 56 | L | A | 0.0000 | |
| 57 | M | A | 0.0000 | |
| 58 | E | A | -3.3052 | |
| 59 | A | A | -2.4810 | |
| 60 | F | A | 0.0000 | |
| 61 | A | A | 0.0000 | |
| 62 | K | A | -3.7051 | |
| 63 | R | A | -3.3737 | |
| 64 | Q | A | -2.6182 | |
| 65 | G | A | -2.4794 | |
| 66 | K | A | -3.2268 | |
| 67 | E | A | -3.5117 | |
| 68 | M | A | -3.1320 | |
| 69 | D | A | -2.8969 | |
| 70 | S | A | -2.3529 | |
| 71 | L | A | 0.0000 | |
| 72 | R | A | 0.0000 | |
| 73 | F | A | 0.0000 | |
| 74 | L | A | -0.8000 | |
| 75 | Y | A | -0.7531 | |
| 76 | D | A | -2.0821 | |
| 77 | G | A | -1.6242 | |
| 78 | I | A | -1.1479 | |
| 79 | R | A | -1.2941 | |
| 80 | I | A | 0.0000 | |
| 81 | Q | A | -2.1901 | |
| 82 | A | A | -2.4813 | |
| 83 | D | A | -2.9959 | |
| 84 | Q | A | -2.4141 | |
| 85 | A | A | 0.0000 | |
| 86 | P | A | 0.0000 | |
| 87 | E | A | -3.8960 | |
| 88 | D | A | -3.4325 | |
| 89 | L | A | -2.5734 | |
| 90 | D | A | -3.3692 | |
| 91 | M | A | 0.0000 | |
| 92 | E | A | -3.4425 | |
| 93 | D | A | -3.1570 | |
| 94 | N | A | -2.2714 | |
| 95 | D | A | -1.6873 | |
| 96 | I | A | -0.5181 | |
| 97 | I | A | 0.0000 | |
| 98 | E | A | -1.8045 | |
| 99 | A | A | 0.0000 | |
| 100 | H | A | -2.2191 | |
| 101 | R | A | -2.9271 | |
| 102 | E | A | -2.3438 | |
| 103 | Q | A | -1.4387 | |
| 104 | I | A | 0.5078 | |
| 105 | G | A | -0.4892 | |
| 106 | G | A | -0.9762 | |
| 107 | N | A | -1.5370 | |
| 108 | Y | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | V | A | 0.0000 | |
| 111 | I | A | 0.0000 | |
| 112 | G | A | -0.5863 | |
| 113 | A | A | 0.0000 | |
| 114 | G | A | -0.8560 | |
| 115 | N | A | -1.3996 | |
| 116 | A | A | -0.8654 | |
| 117 | G | A | 0.0000 | |
| 118 | R | A | 0.0000 | |
| 119 | P | A | 0.0000 | |
| 120 | V | A | 0.0000 | |
| 121 | A | A | 0.0000 | |
| 122 | R | A | 0.0000 | |
| 123 | L | A | 0.0000 | |
| 124 | L | A | 0.0000 | |
| 125 | N | A | 0.0000 | |
| 126 | N | A | -1.0613 | |
| 127 | Q | A | -1.1298 | |
| 128 | N | A | -1.5212 | |
| 129 | H | A | -1.2879 | |
| 130 | K | A | -1.6027 | |
| 131 | V | A | 0.0000 | |
| 132 | I | A | 0.2132 | |
| 133 | I | A | 0.0000 | |
| 134 | T | A | 0.0000 | |
| 135 | D | A | 0.0000 | |
| 136 | P | A | -2.3721 | |
| 137 | K | A | -2.7411 | |
| 138 | Q | A | -2.4638 | |
| 139 | L | A | -1.8378 | |
| 140 | S | A | -1.9927 | |
| 141 | D | A | -3.0318 | |
| 142 | F | A | -2.4639 | |
| 143 | K | A | -2.8042 | |
| 144 | Q | A | -2.5284 | |
| 145 | D | A | -1.9839 | |
| 146 | V | A | 0.0000 | |
| 147 | Q | A | -2.1632 | |
| 148 | S | A | -1.7849 | |
| 149 | I | A | -1.2701 | |
| 150 | L | A | 0.0000 | |
| 151 | K | A | -2.8966 | |
| 152 | Q | A | -2.3110 | |
| 153 | M | A | 0.0000 | |
| 154 | E | A | -2.9637 | |
| 155 | K | A | -3.1722 | |
| 156 | E | A | 0.0000 | |
| 157 | G | A | -1.8270 | |
| 158 | V | A | 0.0000 | |
| 159 | I | A | 0.3958 | |
| 160 | L | A | 0.1433 | |
| 161 | D | A | -0.4029 | |
| 162 | L | A | -1.1005 | |
| 163 | G | A | -2.2618 | |
| 164 | N | A | -2.2467 | |
| 165 | D | A | -2.9182 | |
| 166 | N | A | -2.4522 | |
| 167 | P | A | 0.0000 | |
| 168 | S | A | -1.3121 | |
| 169 | I | A | -1.3243 | |
| 170 | D | A | -2.1431 | |
| 171 | G | A | -1.7497 | |
| 172 | I | A | 0.0000 | |
| 173 | D | A | -2.4139 | |
| 174 | K | A | -1.8127 | |
| 175 | V | A | 0.0000 | |
| 176 | Y | A | 0.0000 | |
| 177 | K | A | -0.4778 | |
| 178 | A | A | -0.5323 | |
| 179 | P | A | -0.5927 | |
| 180 | S | A | -0.4850 | |
| 181 | L | A | -0.3613 | |
| 182 | P | A | -1.1802 | |
| 183 | D | A | -2.3547 | |
| 184 | S | A | -1.3329 | |
| 185 | V | A | -1.0665 | |
| 186 | P | A | -1.6384 | |
| 187 | I | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | K | A | -2.9639 | |
| 190 | K | A | -2.5520 | |
| 191 | V | A | 0.0000 | |
| 192 | A | A | -2.3382 | |
| 193 | E | A | -2.8112 | |
| 194 | A | A | -2.1474 | |
| 195 | N | A | -2.3562 | |
| 196 | L | A | -1.8529 | |
| 197 | E | A | -2.0978 | |
| 198 | V | A | -0.7361 | |
| 199 | I | A | 0.0000 | |
| 200 | T | A | -0.9745 | |
| 201 | N | A | -1.3927 | |
| 202 | E | A | -2.2962 | |
| 203 | D | A | -2.3323 | |
| 204 | F | A | 0.0000 | |
| 205 | S | A | 0.0000 | |
| 206 | K | A | -3.0156 | |
| 207 | M | A | -1.6599 | |
| 208 | V | A | 0.0000 | |
| 209 | N | A | -2.1630 | |
| 210 | D | A | -2.2779 | |
| 211 | L | A | -0.9739 | |
| 212 | I | A | 0.0000 | |
| 213 | P | A | -1.2469 | |
| 214 | V | A | -1.4656 | |
| 215 | D | A | -1.5390 | |
| 216 | I | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | G | A | 0.0000 | |
| 219 | I | A | 0.0000 | |
| 220 | T | A | 0.0000 | |
| 221 | G | A | 0.0000 | |
| 222 | T | A | 0.0000 | |
| 223 | M | A | -0.0837 | |
| 224 | G | A | -0.0563 | |
| 225 | K | A | -0.1185 | |
| 226 | T | A | 0.2255 | |
| 227 | T | A | 0.0000 | |
| 228 | N | A | 0.0000 | |
| 229 | T | A | 0.0000 | |
| 230 | F | A | 0.9720 | |
| 231 | I | A | 0.0000 | |
| 232 | T | A | 0.0000 | |
| 233 | T | A | 0.0000 | |
| 234 | S | A | -0.8729 | |
| 235 | I | A | 0.0000 | |
| 236 | F | A | 0.0000 | |
| 237 | K | A | -2.5834 | |
| 238 | Q | A | -2.3696 | |
| 239 | A | A | -1.7291 | |
| 240 | G | A | -1.7695 | |
| 241 | Y | A | -1.8150 | |
| 242 | K | A | -2.8455 | |
| 243 | V | A | -1.7422 | |
| 244 | W | A | 0.0000 | |
| 245 | S | A | 0.1148 | |
| 246 | C | A | 0.0000 | |
| 247 | S | A | 0.0000 | |
| 248 | S | A | 0.2479 | |
| 249 | L | A | 1.2167 | |
| 250 | V | A | 1.6425 | |
| 251 | N | A | 0.1591 | |
| 252 | N | A | -0.7619 | |
| 253 | L | A | -0.5447 | |
| 254 | V | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | E | A | 0.0000 | |
| 257 | A | A | 0.0000 | |
| 258 | I | A | 0.0000 | |
| 259 | I | A | 0.0000 | |
| 260 | D | A | -0.9860 | |
| 261 | G | A | 0.0000 | |
| 262 | I | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | K | A | -2.7687 | |
| 265 | G | A | -2.3436 | |
| 266 | K | A | -2.5465 | |
| 267 | A | A | 0.0000 | |
| 268 | Q | A | -2.5762 | |
| 269 | N | A | -3.0266 | |
| 270 | C | A | 0.0000 | |
| 271 | D | A | -2.8826 | |
| 272 | I | A | 0.0000 | |
| 273 | A | A | 0.0000 | |
| 274 | I | A | 0.0000 | |
| 275 | F | A | 0.0000 | |
| 276 | E | A | 0.0000 | |
| 277 | L | A | 0.0000 | |
| 278 | P | A | -0.2932 | |
| 279 | H | A | -0.4968 | |
| 280 | G | A | -0.7076 | |
| 281 | T | A | 0.0000 | |
| 282 | I | A | 0.0000 | |
| 283 | G | A | -0.6097 | |
| 284 | L | A | 0.0000 | |
| 285 | L | A | 0.0000 | |
| 286 | N | A | -1.7233 | |
| 287 | E | A | -2.5158 | |
| 288 | L | A | 0.0000 | |
| 289 | D | A | -3.2644 | |
| 290 | I | A | 0.0000 | |
| 291 | K | A | -1.9735 | |
| 292 | I | A | 0.0000 | |
| 293 | G | A | 0.0000 | |
| 294 | L | A | 0.0000 | |
| 295 | L | A | 0.0000 | |
| 296 | T | A | 0.0000 | |
| 297 | N | A | -0.3276 | |
| 298 | I | A | -0.2273 | |
| 299 | A | A | -0.9961 | |
| 300 | E | A | -1.9405 | |
| 301 | D | A | -1.4122 | |
| 302 | H | A | -1.5546 | |
| 303 | L | A | -1.7637 | |
| 304 | S | A | -1.3760 | |
| 305 | E | A | -2.3493 | |
| 306 | F | A | -1.8687 | |
| 307 | G | A | -1.4137 | |
| 308 | G | A | -1.6535 | |
| 309 | S | A | -1.8046 | |
| 310 | L | A | -1.8579 | |
| 311 | E | A | -2.8882 | |
| 312 | K | A | -3.2779 | |
| 313 | Y | A | 0.0000 | |
| 314 | Q | A | -1.9512 | |
| 315 | Q | A | -2.3573 | |
| 316 | R | A | -1.6377 | |
| 317 | K | A | 0.0000 | |
| 318 | L | A | -0.6432 | |
| 319 | I | A | -0.8013 | |
| 320 | L | A | 0.0000 | |
| 321 | E | A | -1.0563 | |
| 322 | K | A | -2.0486 | |
| 323 | M | A | -1.9773 | |
| 324 | S | A | 0.0000 | |
| 325 | E | A | -2.6876 | |
| 326 | T | A | -1.4004 | |
| 327 | F | A | 0.0000 | |
| 328 | I | A | 0.0000 | |
| 329 | A | A | 0.0000 | |
| 330 | N | A | -0.3964 | |
| 331 | N | A | -1.2534 | |
| 332 | S | A | -0.9918 | |
| 333 | C | A | 0.0000 | |
| 334 | R | A | -1.6677 | |
| 335 | D | A | -1.8618 | |
| 336 | I | A | -0.5559 | |
| 337 | I | A | 0.0000 | |
| 338 | A | A | -0.5795 | |
| 339 | P | A | 0.0420 | |
| 340 | V | A | 0.9085 | |
| 341 | R | A | -0.2897 | |
| 342 | G | A | -0.7746 | |
| 343 | N | A | -1.2645 | |
| 344 | A | A | -0.6416 | |
| 345 | L | A | -0.3825 | |
| 346 | Y | A | 0.0000 | |
| 347 | Y | A | 0.0000 | |
| 348 | A | A | 0.0000 | |
| 349 | L | A | -1.0247 | |
| 350 | D | A | -2.4794 | |
| 351 | D | A | -2.8836 | |
| 352 | D | A | -2.7879 | |
| 353 | C | A | -1.6484 | |
| 354 | D | A | -1.2705 | |
| 355 | F | A | 0.0000 | |
| 356 | I | A | -1.3986 | |
| 357 | G | A | 0.0000 | |
| 358 | T | A | -0.9132 | |
| 359 | A | A | -1.3299 | |
| 360 | G | A | -2.2575 | |
| 361 | D | A | -3.3714 | |
| 362 | E | A | -3.6961 | |
| 363 | K | A | -3.0266 | |
| 364 | L | A | 0.0000 | |
| 365 | T | A | -0.7571 | |
| 366 | I | A | 0.0000 | |
| 367 | K | A | -1.7249 | |
| 368 | Y | A | -1.4164 | |
| 369 | S | A | -1.5609 | |
| 370 | K | A | -2.2912 | |
| 371 | G | A | -2.0462 | |
| 372 | E | A | -2.4038 | |
| 373 | F | A | -1.1329 | |
| 374 | T | A | -0.9612 | |
| 375 | T | A | 0.0000 | |
| 376 | P | A | -1.9591 | |
| 377 | F | A | 0.0000 | |
| 378 | H | A | -2.7252 | |
| 379 | M | A | -1.0808 | |
| 380 | V | A | 0.0294 | |
| 381 | S | A | 0.2161 | |
| 382 | Y | A | 0.4567 | |
| 383 | F | A | 0.0000 | |
| 384 | F | A | 0.0000 | |
| 385 | E | A | -0.2897 | |
| 386 | N | A | 0.0000 | |
| 387 | S | A | 0.0000 | |
| 388 | V | A | 0.0000 | |
| 389 | G | A | 0.0000 | |
| 390 | A | A | 0.0000 | |
| 391 | S | A | 0.0000 | |
| 392 | S | A | 0.0000 | |
| 393 | V | A | 0.0000 | |
| 394 | A | A | 0.0000 | |
| 395 | L | A | -0.1023 | |
| 396 | T | A | 0.0829 | |
| 397 | Y | A | -0.1356 | |
| 398 | G | A | -0.3168 | |
| 399 | V | A | 0.0000 | |
| 400 | S | A | -0.9160 | |
| 401 | P | A | -1.3764 | |
| 402 | E | A | -2.2001 | |
| 403 | D | A | -1.9833 | |
| 404 | I | A | 0.0000 | |
| 405 | T | A | -1.3010 | |
| 406 | G | A | -1.5148 | |
| 407 | A | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | S | A | -1.9223 | |
| 410 | E | A | -2.5128 | |
| 411 | F | A | 0.0000 | |
| 412 | K | A | -2.6271 | |
| 413 | G | A | -1.3951 | |
| 414 | L | A | 0.0000 | |
| 415 | P | A | -0.6505 | |
| 416 | A | A | 0.0000 | |
| 417 | H | A | -0.5419 | |
| 418 | M | A | 0.0000 | |
| 419 | E | A | -1.4175 | |
| 420 | D | A | -2.4879 | |
| 421 | V | A | -1.1072 | |
| 422 | G | A | -1.7233 | |
| 423 | E | A | -2.6994 | |
| 424 | Y | A | -1.5971 | |
| 425 | N | A | -2.3994 | |
| 426 | G | A | -1.8507 | |
| 427 | R | A | 0.0000 | |
| 428 | K | A | -2.2025 | |
| 429 | V | A | 0.0000 | |
| 430 | I | A | 0.0000 | |
| 431 | L | A | 0.0000 | |
| 432 | D | A | 0.0000 | |
| 433 | S | A | 0.0000 | |
| 434 | A | A | 0.2758 | |
| 435 | F | A | 0.2659 | |
| 436 | L | A | 0.1074 | |
| 437 | Y | A | -0.1964 | |
| 438 | D | A | -0.6373 | |
| 439 | G | A | 0.1014 | |
| 440 | M | A | 0.0000 | |
| 441 | K | A | -0.3766 | |
| 442 | I | A | 0.3079 | |
| 443 | T | A | 0.0000 | |
| 444 | L | A | 0.0000 | |
| 445 | E | A | -1.2268 | |
| 446 | Y | A | -0.3731 | |
| 447 | F | A | 0.0000 | |
| 448 | K | A | -3.2116 | |
| 449 | D | A | -3.5390 | |
| 450 | D | A | -3.5216 | |
| 451 | N | A | -3.2348 | |
| 452 | V | A | 0.0000 | |
| 453 | V | A | 0.0000 | |
| 454 | L | A | 0.0000 | |
| 455 | F | A | 0.0000 | |
| 456 | L | A | 0.0000 | |
| 457 | D | A | 0.0000 | |
| 458 | H | A | 0.0000 | |
| 459 | F | A | 0.0000 | |
| 460 | D | A | -0.9715 | |
| 461 | T | A | 0.0000 | |
| 462 | L | A | 0.6137 | |
| 463 | S | A | -0.8890 | |
| 464 | K | A | -2.2136 | |
| 465 | R | A | -1.8833 | |
| 466 | D | A | -2.7352 | |
| 467 | K | A | -2.2764 | |
| 468 | A | A | -2.2253 | |
| 469 | E | A | -1.7466 | |
| 470 | V | A | 0.0000 | |
| 471 | G | A | 0.0000 | |
| 472 | Q | A | -2.0422 | |
| 473 | L | A | 0.0000 | |
| 474 | V | A | 0.0000 | |
| 475 | G | A | -1.7158 | |
| 476 | Q | A | -2.1709 | |
| 477 | Y | A | -1.8892 | |
| 478 | V | A | 0.0000 | |
| 479 | D | A | -2.0170 | |
| 480 | V | A | 0.0000 | |
| 481 | I | A | 0.0000 | |
| 482 | I | A | 0.0000 | |
| 483 | A | A | 0.0000 | |
| 484 | S | A | 0.0000 | |
| 485 | G | A | 0.0000 | |
| 486 | F | A | -0.2954 | |
| 487 | N | A | 0.0000 | |
| 488 | E | A | -0.2764 | |
| 489 | V | A | 0.4495 | |
| 490 | N | A | -0.8805 | |
| 491 | Q | A | -1.0598 | |
| 492 | T | A | -0.4093 | |
| 493 | V | A | -0.0620 | |
| 494 | E | A | -0.7921 | |
| 495 | M | A | -0.9149 | |
| 496 | D | A | -1.8156 | |
| 497 | A | A | 0.0000 | |
| 498 | A | A | 0.0000 | |
| 499 | Y | A | -0.9662 | |
| 500 | E | A | -2.5504 | |
| 501 | V | A | 0.0000 | |
| 502 | L | A | 0.0000 | |
| 503 | D | A | -2.5717 | |
| 504 | A | A | -2.0952 | |
| 505 | I | A | 0.0000 | |
| 506 | E | A | -2.7210 | |
| 507 | N | A | -1.8822 | |
| 508 | P | A | -1.1009 | |
| 509 | S | A | -0.8655 | |
| 510 | A | A | -1.0515 | |
| 511 | I | A | 0.2192 | |
| 512 | K | A | -0.5780 | |
| 513 | V | A | 0.3369 | |
| 514 | A | A | -0.4243 | |
| 515 | T | A | 0.0000 | |
| 516 | R | A | -1.7715 | |
| 517 | D | A | -1.2930 | |
| 518 | I | A | 0.0000 | |
| 519 | T | A | -1.8525 | |
| 520 | E | A | -1.4538 | |
| 521 | A | A | 0.0000 | |
| 522 | A | A | 0.0000 | |
| 523 | A | A | -1.8301 | |
| 524 | L | A | -0.7307 | |
| 525 | T | A | 0.0000 | |
| 526 | F | A | 0.0000 | |
| 527 | K | A | -2.0727 | |
| 528 | Y | A | -0.7932 | |
| 529 | S | A | -1.4139 | |
| 530 | K | A | -2.6130 | |
| 531 | P | A | -1.8319 | |
| 532 | G | A | -1.9756 | |
| 533 | D | A | 0.0000 | |
| 534 | I | A | 0.0000 | |
| 535 | I | A | 0.0000 | |
| 536 | L | A | 0.0000 | |
| 537 | H | A | 0.0000 | |
| 538 | M | A | 0.0000 | |
| 539 | G | A | 0.0000 | |
| 540 | P | A | 0.0000 | |
| 541 | L | A | 0.0000 | |
| 542 | I | A | 0.0000 | |
| 543 | A | A | -0.1923 | |
| 544 | Y | A | -0.1379 | |
| 545 | D | A | -1.2214 | |
| 546 | R | A | -0.6143 | |
| 547 | I | A | 0.7328 | |
| 548 | T | A | -0.4667 | |
| 549 | T | A | 0.0000 | |
| 550 | V | A | -0.9074 | |
| 551 | E | A | -2.0901 | |
| 552 | K | A | -2.2116 | |
| 553 | I | A | 0.0000 | |
| 554 | M | A | -2.0046 | |
| 555 | K | A | -3.3323 | |
| 556 | G | A | 0.0000 | |
| 557 | L | A | 0.0000 | |
| 558 | E | A | -3.4470 | |
| 559 | E | A | -3.7647 | |
| 560 | G | A | 0.0000 | |
| 561 | S | A | -3.2058 | |
| 562 | K | A | -3.9228 | |
| 563 | K | A | -3.7176 | |
| 564 | Y | A | -2.6709 | |
| 565 | E | A | -3.2156 |
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 | -0.791 | 3.2776 | View | CSV | PDB |
| 4.5 | -0.8923 | 3.2109 | View | CSV | PDB |
| 5.0 | -1.0161 | 3.1207 | View | CSV | PDB |
| 5.5 | -1.1406 | 3.0321 | View | CSV | PDB |
| 6.0 | -1.2425 | 2.9779 | View | CSV | PDB |
| 6.5 | -1.3052 | 2.9878 | View | CSV | PDB |
| 7.0 | -1.3285 | 3.0654 | View | CSV | PDB |
| 7.5 | -1.3253 | 3.1881 | View | CSV | PDB |
| 8.0 | -1.307 | 3.3316 | View | CSV | PDB |
| 8.5 | -1.2761 | 3.483 | View | CSV | PDB |
| 9.0 | -1.2301 | 3.6371 | 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