| Chain sequence(s) |
A: MASNDYTQQATQSYGAYPTQPGQGYSQQSSQPYGQQSYSGYSQSTDTSGYGQSSYSSYGQSQNTGYGTQSTPQGYGSTGGYGSSQSSQSSYGQQSSYPGYGQQPAPSSTSGSYGSSSQSSSYGQPQSGSYSQQPSYGGQQQSYGQQQSYNPPQGYGQQNQYNSSSGGGGGGGGGGNYGQDQSSMSSGGGSGGGYGNQDQSGGGGSGGYGQQDRGGRGRGGSGGGGGGGGGGYNRSSGGYEPRGRGGGRGGRGGMGGSDRGGFNKFGGPRDQGSRHDSEQDNSDNNTIFVQGLGENVTIESVADYFKQIGIIKTNKKTGQPMINLYTDRETGKLKGEATVSFDDPPSAKAAIDWFDGKEFSGNPIKVSFATRRADFNRGGGNGRGGRGRGGPMGRGGYGGGGSGGGGRGGFPSGGGGGGGQQRAGDWKCPNPTCENMNFSWRNECNQCKAPKPDGPGGGPGGSHMGGNYGDDRRGGRGGYDRGGYRGRGGDRGGFRGGRGGGDRGGFGPGKMDSRGEHRQDRRERPY
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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:05:02)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/4b4c255c1eefc42/tmp/folded.pdb (00:05:02)
[INFO] Main: Simulation completed successfully. (00:08:06)
|
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 | 1.0331 | |
| 2 | A | A | 0.2501 | |
| 3 | S | A | -0.9109 | |
| 4 | N | A | -2.0463 | |
| 5 | D | A | -1.8946 | |
| 6 | Y | A | -0.1422 | |
| 7 | T | A | -0.8511 | |
| 8 | Q | A | -1.6098 | |
| 9 | Q | A | -1.8444 | |
| 10 | A | A | -1.1925 | |
| 11 | T | A | -1.0596 | |
| 12 | Q | A | -1.1141 | |
| 13 | S | A | -0.3839 | |
| 14 | Y | A | 0.7078 | |
| 15 | G | A | 0.4349 | |
| 16 | A | A | 0.7007 | |
| 17 | Y | A | 0.9731 | |
| 18 | P | A | 0.0878 | |
| 19 | T | A | -0.5960 | |
| 20 | Q | A | -1.4992 | |
| 21 | P | A | -1.3139 | |
| 22 | G | A | -1.5852 | |
| 23 | Q | A | -1.5519 | |
| 24 | G | A | -0.5758 | |
| 25 | Y | A | 0.4699 | |
| 26 | S | A | -0.6211 | |
| 27 | Q | A | -1.6660 | |
| 28 | Q | A | -1.9843 | |
| 29 | S | A | -1.4967 | |
| 30 | S | A | -1.2189 | |
| 31 | Q | A | -1.2230 | |
| 32 | P | A | -0.4313 | |
| 33 | Y | A | 0.4318 | |
| 34 | G | A | -0.5728 | |
| 35 | Q | A | -1.7963 | |
| 36 | Q | A | -1.7467 | |
| 37 | S | A | -0.4842 | |
| 38 | Y | A | 0.7653 | |
| 39 | S | A | 0.3847 | |
| 40 | G | A | 0.2728 | |
| 41 | Y | A | 0.7050 | |
| 42 | S | A | -0.3457 | |
| 43 | Q | A | -1.1775 | |
| 44 | S | A | -1.3835 | |
| 45 | T | A | -1.4567 | |
| 46 | D | A | -1.9565 | |
| 47 | T | A | -1.2748 | |
| 48 | S | A | -0.5831 | |
| 49 | G | A | -0.0681 | |
| 50 | Y | A | 0.5814 | |
| 51 | G | A | -0.5430 | |
| 52 | Q | A | -1.3175 | |
| 53 | S | A | -0.7557 | |
| 54 | S | A | 0.0450 | |
| 55 | Y | A | 1.0222 | |
| 56 | S | A | 0.5423 | |
| 57 | S | A | 0.5140 | |
| 58 | Y | A | 0.7124 | |
| 59 | G | A | -0.5030 | |
| 60 | Q | A | -1.5375 | |
| 61 | S | A | -1.8300 | |
| 62 | Q | A | -2.2535 | |
| 63 | N | A | -2.1117 | |
| 64 | T | A | -0.9194 | |
| 65 | G | A | -0.1829 | |
| 66 | Y | A | 0.7693 | |
| 67 | G | A | -0.1587 | |
| 68 | T | A | -0.7178 | |
| 69 | Q | A | -1.4671 | |
| 70 | S | A | -0.9529 | |
| 71 | T | A | -0.7858 | |
| 72 | P | A | -1.0062 | |
| 73 | Q | A | -1.3237 | |
| 74 | G | A | -0.6619 | |
| 75 | Y | A | 0.5824 | |
| 76 | G | A | -0.0405 | |
| 77 | S | A | -0.2948 | |
| 78 | T | A | -0.5960 | |
| 79 | G | A | -0.5274 | |
| 80 | G | A | -0.1837 | |
| 81 | Y | A | 0.6893 | |
| 82 | G | A | 0.0437 | |
| 83 | S | A | -0.5695 | |
| 84 | S | A | -1.1351 | |
| 85 | Q | A | -1.5131 | |
| 86 | S | A | -1.1798 | |
| 87 | S | A | -1.2840 | |
| 88 | Q | A | -1.5209 | |
| 89 | S | A | -0.7460 | |
| 90 | S | A | -0.1154 | |
| 91 | Y | A | 0.7225 | |
| 92 | G | A | -0.6972 | |
| 93 | Q | A | -1.8265 | |
| 94 | Q | A | -2.0519 | |
| 95 | S | A | -0.8535 | |
| 96 | S | A | 0.0753 | |
| 97 | Y | A | 0.9353 | |
| 98 | P | A | 0.4051 | |
| 99 | G | A | 0.3062 | |
| 100 | Y | A | 0.5306 | |
| 101 | G | A | -0.7699 | |
| 102 | Q | A | -1.8003 | |
| 103 | Q | A | -1.9862 | |
| 104 | P | A | -1.1634 | |
| 105 | A | A | -0.5027 | |
| 106 | P | A | -0.4413 | |
| 107 | S | A | -0.4706 | |
| 108 | S | A | -0.4502 | |
| 109 | T | A | -0.4122 | |
| 110 | S | A | -0.5624 | |
| 111 | G | A | -0.4167 | |
| 112 | S | A | 0.0201 | |
| 113 | Y | A | 0.8469 | |
| 114 | G | A | -0.0439 | |
| 115 | S | A | -0.3233 | |
| 116 | S | A | -0.7939 | |
| 117 | S | A | -1.0800 | |
| 118 | Q | A | -1.5094 | |
| 119 | S | A | -0.9859 | |
| 120 | S | A | -0.4134 | |
| 121 | S | A | 0.1829 | |
| 122 | Y | A | 0.6744 | |
| 123 | G | A | -0.4949 | |
| 124 | Q | A | -1.4673 | |
| 125 | P | A | -1.5379 | |
| 126 | Q | A | -1.7570 | |
| 127 | S | A | -1.2029 | |
| 128 | G | A | -0.6526 | |
| 129 | S | A | 0.0459 | |
| 130 | Y | A | 0.7437 | |
| 131 | S | A | -0.3599 | |
| 132 | Q | A | -1.6770 | |
| 133 | Q | A | -2.0089 | |
| 134 | P | A | -0.9045 | |
| 135 | S | A | -0.0280 | |
| 136 | Y | A | 0.8449 | |
| 137 | G | A | -0.3307 | |
| 138 | G | A | -1.3596 | |
| 139 | Q | A | -2.5077 | |
| 140 | Q | A | -2.6323 | |
| 141 | Q | A | -1.9069 | |
| 142 | S | A | -0.6820 | |
| 143 | Y | A | 0.4587 | |
| 144 | G | A | -0.7849 | |
| 145 | Q | A | -2.0843 | |
| 146 | Q | A | -2.6251 | |
| 147 | Q | A | -1.9247 | |
| 148 | S | A | -0.6686 | |
| 149 | Y | A | 0.2549 | |
| 150 | N | A | -0.8842 | |
| 151 | P | A | -1.0620 | |
| 152 | P | A | -1.1994 | |
| 153 | Q | A | -1.3662 | |
| 154 | G | A | -0.5953 | |
| 155 | Y | A | 0.2576 | |
| 156 | G | A | -0.8134 | |
| 157 | Q | A | -2.0059 | |
| 158 | Q | A | -2.7866 | |
| 159 | N | A | -2.4016 | |
| 160 | Q | A | -1.7106 | |
| 161 | Y | A | -0.3515 | |
| 162 | N | A | -0.9927 | |
| 163 | S | A | -0.8800 | |
| 164 | S | A | -0.8083 | |
| 165 | S | A | -0.7342 | |
| 166 | G | A | -0.9862 | |
| 167 | G | A | -1.1538 | |
| 168 | G | A | -1.1660 | |
| 169 | G | A | -1.2118 | |
| 170 | G | A | -1.2153 | |
| 171 | G | A | -1.1671 | |
| 172 | G | A | -1.2089 | |
| 173 | G | A | -1.1129 | |
| 174 | G | A | -1.2761 | |
| 175 | G | A | -1.1444 | |
| 176 | N | A | -1.0564 | |
| 177 | Y | A | 0.1287 | |
| 178 | G | A | -1.1418 | |
| 179 | Q | A | -2.2869 | |
| 180 | D | A | -3.1825 | |
| 181 | Q | A | -2.5942 | |
| 182 | S | A | -1.1747 | |
| 183 | S | A | -0.0318 | |
| 184 | M | A | 0.7379 | |
| 185 | S | A | 0.0276 | |
| 186 | S | A | -0.4522 | |
| 187 | G | A | -0.9835 | |
| 188 | G | A | -1.0489 | |
| 189 | G | A | -1.0055 | |
| 190 | S | A | -0.8806 | |
| 191 | G | A | -0.9984 | |
| 192 | G | A | -0.7217 | |
| 193 | G | A | -0.3206 | |
| 194 | Y | A | 0.4597 | |
| 195 | G | A | -0.6853 | |
| 196 | N | A | -2.2567 | |
| 197 | Q | A | -3.1101 | |
| 198 | D | A | -3.3306 | |
| 199 | Q | A | -2.6324 | |
| 200 | S | A | -1.5107 | |
| 201 | G | A | -1.1553 | |
| 202 | G | A | -1.1021 | |
| 203 | G | A | -1.1268 | |
| 204 | G | A | -1.0271 | |
| 205 | S | A | -0.8551 | |
| 206 | G | A | -0.6403 | |
| 207 | G | A | -0.2541 | |
| 208 | Y | A | 0.4778 | |
| 209 | G | A | -0.7511 | |
| 210 | Q | A | -2.0920 | |
| 211 | Q | A | -3.3181 | |
| 212 | D | A | -3.6774 | |
| 213 | R | A | -3.3120 | |
| 214 | G | A | -2.6537 | |
| 215 | G | A | -2.1488 | |
| 216 | R | A | -2.7548 | |
| 217 | G | A | -2.4899 | |
| 218 | R | A | -2.8178 | |
| 219 | G | A | -1.9008 | |
| 220 | G | A | -1.4490 | |
| 221 | S | A | -0.8558 | |
| 222 | G | A | -1.0741 | |
| 223 | G | A | -1.1977 | |
| 224 | G | A | -1.1384 | |
| 225 | G | A | -1.2729 | |
| 226 | G | A | -1.1840 | |
| 227 | G | A | -1.2458 | |
| 228 | G | A | -1.2961 | |
| 229 | G | A | -1.0445 | |
| 230 | G | A | -0.9565 | |
| 231 | G | A | -0.5241 | |
| 232 | Y | A | -0.1801 | |
| 233 | N | A | -1.6521 | |
| 234 | R | A | -2.3370 | |
| 235 | S | A | -1.6221 | |
| 236 | S | A | -1.0649 | |
| 237 | G | A | -0.5983 | |
| 238 | G | A | -0.5452 | |
| 239 | Y | A | 0.0571 | |
| 240 | E | A | -1.7515 | |
| 241 | P | A | -1.8946 | |
| 242 | R | A | -2.9475 | |
| 243 | G | A | -2.6527 | |
| 244 | R | A | -2.8528 | |
| 245 | G | A | -2.0244 | |
| 246 | G | A | -1.8341 | |
| 247 | G | A | -2.0305 | |
| 248 | R | A | -2.5940 | |
| 249 | G | A | -2.1874 | |
| 250 | G | A | -2.1865 | |
| 251 | R | A | -2.4365 | |
| 252 | G | A | -1.6856 | |
| 253 | G | A | -0.7578 | |
| 254 | M | A | 0.2131 | |
| 255 | G | A | -0.3484 | |
| 256 | G | A | -1.2171 | |
| 257 | S | A | -1.8719 | |
| 258 | D | A | -3.0287 | |
| 259 | R | A | -2.9280 | |
| 260 | G | A | -1.5844 | |
| 261 | G | A | -0.8566 | |
| 262 | F | A | 0.5311 | |
| 263 | N | A | -0.8665 | |
| 264 | K | A | -1.0578 | |
| 265 | F | A | 0.7348 | |
| 266 | G | A | -0.3661 | |
| 267 | G | A | -0.9811 | |
| 268 | P | A | -2.0408 | |
| 269 | R | A | -3.4027 | |
| 270 | D | A | -3.7591 | |
| 271 | Q | A | -3.6246 | |
| 272 | G | A | -2.7088 | |
| 273 | S | A | -2.6016 | |
| 274 | R | A | -3.6267 | |
| 275 | H | A | -3.3114 | |
| 276 | D | A | -3.7805 | |
| 277 | S | A | -3.5069 | |
| 278 | E | A | -3.6511 | |
| 279 | Q | A | -3.3577 | |
| 280 | D | A | -3.5724 | |
| 281 | N | A | -2.5946 | |
| 282 | S | A | -2.2311 | |
| 283 | D | A | -2.9001 | |
| 284 | N | A | -2.4386 | |
| 285 | N | A | -2.2335 | |
| 286 | T | A | -1.3042 | |
| 287 | I | A | 0.0000 | |
| 288 | F | A | -0.4136 | |
| 289 | V | A | 0.0000 | |
| 290 | Q | A | -1.8239 | |
| 291 | G | A | -2.1760 | |
| 292 | L | A | 0.0000 | |
| 293 | G | A | -2.2126 | |
| 294 | E | A | -3.2118 | |
| 295 | N | A | -2.4602 | |
| 296 | V | A | -1.3221 | |
| 297 | T | A | -0.9906 | |
| 298 | I | A | -0.9615 | |
| 299 | E | A | -2.2554 | |
| 300 | S | A | -1.5026 | |
| 301 | V | A | 0.0000 | |
| 302 | A | A | -1.9421 | |
| 303 | D | A | -2.9183 | |
| 304 | Y | A | -1.6250 | |
| 305 | F | A | 0.0000 | |
| 306 | K | A | -2.1238 | |
| 307 | Q | A | -1.7798 | |
| 308 | I | A | -0.1810 | |
| 309 | G | A | -0.5738 | |
| 310 | I | A | 0.3063 | |
| 311 | I | A | 0.0000 | |
| 312 | K | A | -1.7086 | |
| 313 | T | A | -1.5822 | |
| 314 | N | A | -2.2228 | |
| 315 | K | A | -3.0366 | |
| 316 | K | A | -2.9429 | |
| 317 | T | A | -2.0261 | |
| 318 | G | A | -2.1466 | |
| 319 | Q | A | -2.2711 | |
| 320 | P | A | -1.3255 | |
| 321 | M | A | -0.9241 | |
| 322 | I | A | 0.0000 | |
| 323 | N | A | -0.8580 | |
| 324 | L | A | -0.4249 | |
| 325 | Y | A | -1.1407 | |
| 326 | T | A | -2.4020 | |
| 327 | D | A | -3.0711 | |
| 328 | R | A | -3.5894 | |
| 329 | E | A | -3.3038 | |
| 330 | T | A | -2.5629 | |
| 331 | G | A | -2.7921 | |
| 332 | K | A | -3.6277 | |
| 333 | L | A | -2.6961 | |
| 334 | K | A | -3.1406 | |
| 335 | G | A | 0.0000 | |
| 336 | E | A | -1.4466 | |
| 337 | A | A | 0.0000 | |
| 338 | T | A | -0.2399 | |
| 339 | V | A | 0.0000 | |
| 340 | S | A | 0.0000 | |
| 341 | F | A | 0.0000 | |
| 342 | D | A | -2.4388 | |
| 343 | D | A | -2.9311 | |
| 344 | P | A | -2.5523 | |
| 345 | P | A | -1.7851 | |
| 346 | S | A | -1.4324 | |
| 347 | A | A | 0.0000 | |
| 348 | K | A | -1.7547 | |
| 349 | A | A | -0.6487 | |
| 350 | A | A | 0.0000 | |
| 351 | I | A | -1.1333 | |
| 352 | D | A | -1.7094 | |
| 353 | W | A | -0.2449 | |
| 354 | F | A | 0.0000 | |
| 355 | D | A | -2.8760 | |
| 356 | G | A | -2.7421 | |
| 357 | K | A | -3.1112 | |
| 358 | E | A | -3.4019 | |
| 359 | F | A | -1.7440 | |
| 360 | S | A | -1.4030 | |
| 361 | G | A | -1.6347 | |
| 362 | N | A | -2.2080 | |
| 363 | P | A | -2.6525 | |
| 364 | I | A | 0.0000 | |
| 365 | K | A | -3.1139 | |
| 366 | V | A | 0.0000 | |
| 367 | S | A | -0.9621 | |
| 368 | F | A | -0.6243 | |
| 369 | A | A | 0.0000 | |
| 370 | T | A | -1.5024 | |
| 371 | R | A | -2.6956 | |
| 372 | R | A | -3.1134 | |
| 373 | A | A | -2.2673 | |
| 374 | D | A | -2.5096 | |
| 375 | F | A | -0.9744 | |
| 376 | N | A | -2.3276 | |
| 377 | R | A | -2.9271 | |
| 378 | G | A | -2.0666 | |
| 379 | G | A | -1.7274 | |
| 380 | G | A | -2.1116 | |
| 381 | N | A | -2.6150 | |
| 382 | G | A | -2.3572 | |
| 383 | R | A | -3.2211 | |
| 384 | G | A | -2.4412 | |
| 385 | G | A | -2.7841 | |
| 386 | R | A | -3.1725 | |
| 387 | G | A | -2.6213 | |
| 388 | R | A | -3.0216 | |
| 389 | G | A | -2.2213 | |
| 390 | G | A | -1.2723 | |
| 391 | P | A | -0.4379 | |
| 392 | M | A | 0.1212 | |
| 393 | G | A | -0.9496 | |
| 394 | R | A | -2.2204 | |
| 395 | G | A | -1.5008 | |
| 396 | G | A | -0.7306 | |
| 397 | Y | A | 0.6340 | |
| 398 | G | A | -0.1391 | |
| 399 | G | A | -0.7820 | |
| 400 | G | A | -1.1041 | |
| 401 | G | A | -1.0070 | |
| 402 | S | A | -0.8972 | |
| 403 | G | A | -1.0455 | |
| 404 | G | A | -1.1367 | |
| 405 | G | A | -1.4611 | |
| 406 | G | A | -1.9359 | |
| 407 | R | A | -2.5310 | |
| 408 | G | A | -1.3081 | |
| 409 | G | A | -0.3526 | |
| 410 | F | A | 1.3949 | |
| 411 | P | A | 0.3662 | |
| 412 | S | A | -0.2440 | |
| 413 | G | A | -0.7237 | |
| 414 | G | A | -1.0539 | |
| 415 | G | A | -1.1148 | |
| 416 | G | A | -1.2264 | |
| 417 | G | A | -1.2969 | |
| 418 | G | A | -1.4954 | |
| 419 | G | A | -1.9208 | |
| 420 | Q | A | -2.6392 | |
| 421 | Q | A | -2.8068 | |
| 422 | R | A | -2.6434 | |
| 423 | A | A | -1.3296 | |
| 424 | G | A | -0.7898 | |
| 425 | D | A | 0.0000 | |
| 426 | W | A | 0.0000 | |
| 427 | K | A | -1.9035 | |
| 428 | C | A | 0.0000 | |
| 429 | P | A | -1.4369 | |
| 430 | N | A | -1.6212 | |
| 431 | P | A | -1.2811 | |
| 432 | T | A | -0.7941 | |
| 433 | C | A | -1.7557 | |
| 434 | E | A | -2.5198 | |
| 435 | N | A | -1.6873 | |
| 436 | M | A | -1.0546 | |
| 437 | N | A | 0.0000 | |
| 438 | F | A | 0.5559 | |
| 439 | S | A | 0.1276 | |
| 440 | W | A | 0.8377 | |
| 441 | R | A | -0.6537 | |
| 442 | N | A | -2.2276 | |
| 443 | E | A | -2.8515 | |
| 444 | C | A | 0.0000 | |
| 445 | N | A | -2.5105 | |
| 446 | Q | A | -2.5751 | |
| 447 | C | A | -2.1900 | |
| 448 | K | A | -3.0378 | |
| 449 | A | A | -2.0476 | |
| 450 | P | A | -2.1156 | |
| 451 | K | A | -2.3945 | |
| 452 | P | A | -2.0036 | |
| 453 | D | A | -2.4018 | |
| 454 | G | A | -1.5696 | |
| 455 | P | A | -1.1209 | |
| 456 | G | A | -1.2003 | |
| 457 | G | A | -1.4941 | |
| 458 | G | A | -1.6136 | |
| 459 | P | A | -1.2154 | |
| 460 | G | A | -1.0995 | |
| 461 | G | A | -1.0760 | |
| 462 | S | A | -0.7863 | |
| 463 | H | A | -0.8583 | |
| 464 | M | A | 0.0899 | |
| 465 | G | A | -0.6829 | |
| 466 | G | A | -1.0068 | |
| 467 | N | A | -1.1173 | |
| 468 | Y | A | -0.0821 | |
| 469 | G | A | -1.2524 | |
| 470 | D | A | -3.1618 | |
| 471 | D | A | -4.2312 | |
| 472 | R | A | -4.2342 | |
| 473 | R | A | -3.8627 | |
| 474 | G | A | -2.6623 | |
| 475 | G | A | -2.3419 | |
| 476 | R | A | -2.4039 | |
| 477 | G | A | -1.6121 | |
| 478 | G | A | -0.8336 | |
| 479 | Y | A | -0.4388 | |
| 480 | D | A | -2.2706 | |
| 481 | R | A | -2.7004 | |
| 482 | G | A | -1.9374 | |
| 483 | G | A | -0.9097 | |
| 484 | Y | A | -0.1888 | |
| 485 | R | A | -2.0039 | |
| 486 | G | A | -2.2492 | |
| 487 | R | A | -2.8139 | |
| 488 | G | A | -2.1221 | |
| 489 | G | A | -2.4219 | |
| 490 | D | A | -3.1010 | |
| 491 | R | A | -2.9143 | |
| 492 | G | A | -1.8684 | |
| 493 | G | A | -0.7642 | |
| 494 | F | A | 0.3546 | |
| 495 | R | A | -1.6562 | |
| 496 | G | A | -1.7124 | |
| 497 | G | A | -2.0146 | |
| 498 | R | A | -2.7493 | |
| 499 | G | A | -2.0822 | |
| 500 | G | A | -1.9201 | |
| 501 | G | A | -2.3385 | |
| 502 | D | A | -3.1862 | |
| 503 | R | A | -2.9971 | |
| 504 | G | A | -1.8210 | |
| 505 | G | A | -0.3221 | |
| 506 | F | A | 1.0734 | |
| 507 | G | A | -0.1812 | |
| 508 | P | A | -0.5084 | |
| 509 | G | A | -1.3103 | |
| 510 | K | A | -2.0710 | |
| 511 | M | A | -1.1689 | |
| 512 | D | A | -2.9644 | |
| 513 | S | A | -3.0391 | |
| 514 | R | A | -4.0193 | |
| 515 | G | A | -3.6904 | |
| 516 | E | A | -4.9822 | |
| 517 | H | A | -5.3289 | |
| 518 | R | A | -5.7208 | |
| 519 | Q | A | -5.8037 | |
| 520 | D | A | -5.6305 | |
| 521 | R | A | -5.7742 | |
| 522 | R | A | -5.5872 | |
| 523 | E | A | -4.3527 | |
| 524 | R | A | -3.4488 | |
| 525 | P | A | -1.1443 | |
| 526 | Y | A | 0.3364 |
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 | -0.8455 | 4.8222 | View | CSV | PDB |
| 4.5 | -0.9009 | 4.8222 | View | CSV | PDB |
| 5.0 | -0.967 | 4.8222 | View | CSV | PDB |
| 5.5 | -1.0347 | 4.8222 | View | CSV | PDB |
| 6.0 | -1.0945 | 4.8222 | View | CSV | PDB |
| 6.5 | -1.1401 | 4.8222 | View | CSV | PDB |
| 7.0 | -1.1715 | 4.8222 | View | CSV | PDB |
| 7.5 | -1.1932 | 4.8222 | View | CSV | PDB |
| 8.0 | -1.2078 | 4.8222 | View | CSV | PDB |
| 8.5 | -1.2145 | 4.8222 | View | CSV | PDB |
| 9.0 | -1.211 | 4.8222 | 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