| Chain sequence(s) |
A: MTRCLMFTLLFLVSSLISTVGLPVEPPAELLQLGGGDVGGGRLSVDASDIAEASRDFGGVARAEPMAVFHPRAAGDVAGLVGAAFRSARGFRVSARGHGHSISGQAQAAGGVVVDMSRGRGPGAAVARALPVHSAALGGHYVDVWGGELWVDVLNWTLSHGGLAPRSWTDYLYLSVGGTLSNAGISGQAFHHGPQISNVYELDVVTGKGEVVTCSETENPDLFFGVLGGLGQFGIITRARIALERAPKRVRWIRALYSNFSEFTADQERLISLGSGGGRRFDYVEGFVVAAEGLINNWRSSFFSPQNPVKLTSLKHHSSVLYCLEVTKNYDDETAGSVDQDVDTLLGELNFLPGTVFTTDLPYVDFLDRVHKAELKLRAKGMWEVPHPWLNLFVPASRIADFDRGVFRGVLGGRTAGAGGPVLIYPMNKHKWDPRSSAVTPDEEVFYLVAFLRSALPGAPESLEALARQNQRILDFCAGTGIGAKQYLPGHKARHEWAEHFGAARWDRFARLKAEFDPRAILAAGQGIFRPPGSPALAADS
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 globular. Max 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 (00:05:55)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/73dffe30fe06393/tmp/folded.pdb (00:05:55)
[INFO] Main: Simulation completed successfully. (00:08:08)
|
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 | 1.0713 | |
| 2 | T | A | 0.4559 | |
| 3 | R | A | -0.4083 | |
| 4 | C | A | 1.4734 | |
| 5 | L | A | 2.5346 | |
| 6 | M | A | 2.5513 | |
| 7 | F | A | 3.1753 | |
| 8 | T | A | 3.3728 | |
| 9 | L | A | 4.4842 | |
| 10 | L | A | 4.6055 | |
| 11 | F | A | 4.8342 | |
| 12 | L | A | 4.8603 | |
| 13 | V | A | 4.7623 | |
| 14 | S | A | 3.2566 | |
| 15 | S | A | 3.0553 | |
| 16 | L | A | 3.9073 | |
| 17 | I | A | 3.7450 | |
| 18 | S | A | 1.8559 | |
| 19 | T | A | 1.6313 | |
| 20 | V | A | 2.2708 | |
| 21 | G | A | 1.5501 | |
| 22 | L | A | 2.1236 | |
| 23 | P | A | 0.7265 | |
| 24 | V | A | 1.0359 | |
| 25 | E | A | -0.6314 | |
| 26 | P | A | -0.2295 | |
| 27 | P | A | -0.2997 | |
| 28 | A | A | -0.4653 | |
| 29 | E | A | -0.9316 | |
| 30 | L | A | 0.0000 | |
| 31 | L | A | 0.1646 | |
| 32 | Q | A | -0.9404 | |
| 33 | L | A | -0.7039 | |
| 34 | G | A | -0.7910 | |
| 35 | G | A | -1.3275 | |
| 36 | G | A | -2.1206 | |
| 37 | D | A | -2.7744 | |
| 38 | V | A | -1.7233 | |
| 39 | G | A | -1.6053 | |
| 40 | G | A | -1.9715 | |
| 41 | G | A | 0.0000 | |
| 42 | R | A | -2.7152 | |
| 43 | L | A | -1.0253 | |
| 44 | S | A | -0.2543 | |
| 45 | V | A | 0.7092 | |
| 46 | D | A | -0.9941 | |
| 47 | A | A | -0.7366 | |
| 48 | S | A | -1.1079 | |
| 49 | D | A | -1.2540 | |
| 50 | I | A | -1.1450 | |
| 51 | A | A | -2.0788 | |
| 52 | E | A | -2.6481 | |
| 53 | A | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | R | A | -3.0075 | |
| 56 | D | A | -1.8090 | |
| 57 | F | A | -0.6821 | |
| 58 | G | A | 0.0000 | |
| 59 | G | A | -0.9743 | |
| 60 | V | A | 0.1291 | |
| 61 | A | A | -0.8932 | |
| 62 | R | A | -2.6063 | |
| 63 | A | A | -2.0163 | |
| 64 | E | A | -2.4529 | |
| 65 | P | A | 0.0000 | |
| 66 | M | A | -0.0910 | |
| 67 | A | A | 0.0000 | |
| 68 | V | A | 0.0000 | |
| 69 | F | A | 0.0000 | |
| 70 | H | A | -1.8189 | |
| 71 | P | A | 0.0000 | |
| 72 | R | A | -2.5071 | |
| 73 | A | A | -0.9541 | |
| 74 | A | A | -0.7388 | |
| 75 | G | A | -0.9853 | |
| 76 | D | A | 0.0000 | |
| 77 | V | A | 0.0000 | |
| 78 | A | A | -0.7976 | |
| 79 | G | A | -0.6742 | |
| 80 | L | A | 0.0000 | |
| 81 | V | A | 0.0000 | |
| 82 | G | A | 0.0000 | |
| 83 | A | A | -0.7560 | |
| 84 | A | A | 0.0000 | |
| 85 | F | A | -1.2933 | |
| 86 | R | A | -2.2317 | |
| 87 | S | A | 0.0000 | |
| 88 | A | A | -1.3392 | |
| 89 | R | A | -2.2857 | |
| 90 | G | A | 0.0000 | |
| 91 | F | A | 0.0000 | |
| 92 | R | A | -0.8204 | |
| 93 | V | A | 0.0000 | |
| 94 | S | A | 0.0000 | |
| 95 | A | A | -0.2056 | |
| 96 | R | A | 0.0000 | |
| 97 | G | A | -0.4626 | |
| 98 | H | A | -0.4778 | |
| 99 | G | A | 0.0000 | |
| 100 | H | A | -0.5430 | |
| 101 | S | A | -0.5266 | |
| 102 | I | A | 0.0000 | |
| 103 | S | A | -0.4917 | |
| 104 | G | A | 0.0000 | |
| 105 | Q | A | -0.3550 | |
| 106 | A | A | -0.5247 | |
| 107 | Q | A | 0.0000 | |
| 108 | A | A | 0.0000 | |
| 109 | A | A | -0.9781 | |
| 110 | G | A | -0.4179 | |
| 111 | G | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | V | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | D | A | -0.6261 | |
| 116 | M | A | 0.0000 | |
| 117 | S | A | -0.8530 | |
| 118 | R | A | -1.6354 | |
| 119 | G | A | -2.2582 | |
| 120 | R | A | -2.6362 | |
| 121 | G | A | -1.8272 | |
| 122 | P | A | -1.0876 | |
| 123 | G | A | -0.9598 | |
| 124 | A | A | -0.9819 | |
| 125 | A | A | -0.1745 | |
| 126 | V | A | 0.8390 | |
| 127 | A | A | 0.7787 | |
| 128 | R | A | 0.4337 | |
| 129 | A | A | 0.8492 | |
| 130 | L | A | 1.4429 | |
| 131 | P | A | 0.7238 | |
| 132 | V | A | 0.7669 | |
| 133 | H | A | -0.4536 | |
| 134 | S | A | -0.2316 | |
| 135 | A | A | -0.1214 | |
| 136 | A | A | 0.0582 | |
| 137 | L | A | 0.2082 | |
| 138 | G | A | -0.4000 | |
| 139 | G | A | -0.8087 | |
| 140 | H | A | -1.0194 | |
| 141 | Y | A | -0.0556 | |
| 142 | V | A | 0.0000 | |
| 143 | D | A | -0.1438 | |
| 144 | V | A | 0.0000 | |
| 145 | W | A | -0.0422 | |
| 146 | G | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | E | A | 0.0000 | |
| 149 | L | A | 0.0141 | |
| 150 | W | A | 0.0000 | |
| 151 | V | A | -0.1642 | |
| 152 | D | A | -0.6933 | |
| 153 | V | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | N | A | -1.2026 | |
| 156 | W | A | -0.4475 | |
| 157 | T | A | 0.0000 | |
| 158 | L | A | -0.6100 | |
| 159 | S | A | -0.4823 | |
| 160 | H | A | -0.3941 | |
| 161 | G | A | -0.5167 | |
| 162 | G | A | -1.3010 | |
| 163 | L | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | P | A | 0.0000 | |
| 166 | R | A | -1.1188 | |
| 167 | S | A | 0.0000 | |
| 168 | W | A | 0.0000 | |
| 169 | T | A | 0.0000 | |
| 170 | D | A | -0.2540 | |
| 171 | Y | A | 0.1008 | |
| 172 | L | A | 0.0000 | |
| 173 | Y | A | 0.3057 | |
| 174 | L | A | 0.1323 | |
| 175 | S | A | 0.0000 | |
| 176 | V | A | 0.0000 | |
| 177 | G | A | -0.2267 | |
| 178 | G | A | -0.4178 | |
| 179 | T | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | S | A | -0.2553 | |
| 182 | N | A | -0.2651 | |
| 183 | A | A | 0.0000 | |
| 184 | G | A | 0.0000 | |
| 185 | I | A | 0.0000 | |
| 186 | S | A | 0.0000 | |
| 187 | G | A | 0.0000 | |
| 188 | Q | A | 0.0000 | |
| 189 | A | A | 0.0000 | |
| 190 | F | A | 0.0000 | |
| 191 | H | A | -0.7133 | |
| 192 | H | A | -0.6135 | |
| 193 | G | A | 0.0000 | |
| 194 | P | A | 0.0000 | |
| 195 | Q | A | 0.0000 | |
| 196 | I | A | 0.0000 | |
| 197 | S | A | -0.3439 | |
| 198 | N | A | -0.3272 | |
| 199 | V | A | 0.0000 | |
| 200 | Y | A | -0.2131 | |
| 201 | E | A | -0.9634 | |
| 202 | L | A | 0.0000 | |
| 203 | D | A | -0.1986 | |
| 204 | V | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | T | A | 0.0000 | |
| 207 | G | A | 0.0000 | |
| 208 | K | A | -1.8709 | |
| 209 | G | A | -1.4295 | |
| 210 | E | A | -1.7311 | |
| 211 | V | A | -0.1935 | |
| 212 | V | A | -0.1810 | |
| 213 | T | A | -0.5636 | |
| 214 | C | A | 0.0000 | |
| 215 | S | A | -1.9985 | |
| 216 | E | A | -2.6050 | |
| 217 | T | A | -2.0868 | |
| 218 | E | A | -2.8370 | |
| 219 | N | A | -2.3042 | |
| 220 | P | A | -2.6819 | |
| 221 | D | A | -3.0473 | |
| 222 | L | A | 0.0000 | |
| 223 | F | A | 0.0000 | |
| 224 | F | A | 0.0000 | |
| 225 | G | A | 0.0000 | |
| 226 | V | A | 0.0000 | |
| 227 | L | A | 0.0000 | |
| 228 | G | A | 0.0000 | |
| 229 | G | A | 0.0000 | |
| 230 | L | A | 0.0000 | |
| 231 | G | A | -0.2343 | |
| 232 | Q | A | 0.0000 | |
| 233 | F | A | 0.0000 | |
| 234 | G | A | 0.0000 | |
| 235 | I | A | 0.0000 | |
| 236 | I | A | 0.0000 | |
| 237 | T | A | 0.0000 | |
| 238 | R | A | -0.5124 | |
| 239 | A | A | 0.0000 | |
| 240 | R | A | -0.5167 | |
| 241 | I | A | 0.0000 | |
| 242 | A | A | 0.0000 | |
| 243 | L | A | 0.0000 | |
| 244 | E | A | -2.5017 | |
| 245 | R | A | -2.8541 | |
| 246 | A | A | 0.0000 | |
| 247 | P | A | -2.1198 | |
| 248 | K | A | -2.8152 | |
| 249 | R | A | -2.6823 | |
| 250 | V | A | 0.0000 | |
| 251 | R | A | -1.4386 | |
| 252 | W | A | 0.0000 | |
| 253 | I | A | 0.0000 | |
| 254 | R | A | 0.0000 | |
| 255 | A | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | Y | A | 0.0000 | |
| 258 | S | A | -0.7969 | |
| 259 | N | A | -1.1041 | |
| 260 | F | A | 0.0000 | |
| 261 | S | A | -0.7567 | |
| 262 | E | A | -1.3640 | |
| 263 | F | A | 0.0000 | |
| 264 | T | A | 0.0000 | |
| 265 | A | A | -0.9625 | |
| 266 | D | A | 0.0000 | |
| 267 | Q | A | 0.0000 | |
| 268 | E | A | -1.2160 | |
| 269 | R | A | -1.7022 | |
| 270 | L | A | 0.0000 | |
| 271 | I | A | 0.0000 | |
| 272 | S | A | -0.8276 | |
| 273 | L | A | -0.9490 | |
| 274 | G | A | -1.0250 | |
| 275 | S | A | -1.1230 | |
| 276 | G | A | -1.2665 | |
| 277 | G | A | -1.4435 | |
| 278 | G | A | -1.6367 | |
| 279 | R | A | -2.2194 | |
| 280 | R | A | -1.4458 | |
| 281 | F | A | 0.0000 | |
| 282 | D | A | -0.8337 | |
| 283 | Y | A | 0.0000 | |
| 284 | V | A | 0.0000 | |
| 285 | E | A | 0.0000 | |
| 286 | G | A | 0.0000 | |
| 287 | F | A | 0.0000 | |
| 288 | V | A | 0.0000 | |
| 289 | V | A | 0.0000 | |
| 290 | A | A | 0.0000 | |
| 291 | A | A | -1.1694 | |
| 292 | E | A | -1.9128 | |
| 293 | G | A | 0.0000 | |
| 294 | L | A | 0.0000 | |
| 295 | I | A | 0.9236 | |
| 296 | N | A | -0.7517 | |
| 297 | N | A | -0.4987 | |
| 298 | W | A | -0.0209 | |
| 299 | R | A | 0.1227 | |
| 300 | S | A | 0.3838 | |
| 301 | S | A | 0.3156 | |
| 302 | F | A | 0.5360 | |
| 303 | F | A | 0.2899 | |
| 304 | S | A | -0.4749 | |
| 305 | P | A | -1.1841 | |
| 306 | Q | A | -1.8800 | |
| 307 | N | A | -2.0706 | |
| 308 | P | A | -1.6544 | |
| 309 | V | A | 0.0000 | |
| 310 | K | A | -2.0926 | |
| 311 | L | A | -1.0806 | |
| 312 | T | A | -1.2861 | |
| 313 | S | A | -1.4740 | |
| 314 | L | A | 0.0000 | |
| 315 | K | A | -2.5377 | |
| 316 | H | A | -2.0995 | |
| 317 | H | A | -1.6574 | |
| 318 | S | A | -1.0862 | |
| 319 | S | A | -1.5242 | |
| 320 | V | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | Y | A | 0.0000 | |
| 323 | C | A | 0.0000 | |
| 324 | L | A | 0.0000 | |
| 325 | E | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | T | A | 0.0000 | |
| 328 | K | A | -1.2653 | |
| 329 | N | A | -1.3655 | |
| 330 | Y | A | -2.0807 | |
| 331 | D | A | -2.8868 | |
| 332 | D | A | -3.3973 | |
| 333 | E | A | -2.9515 | |
| 334 | T | A | -2.0328 | |
| 335 | A | A | -1.9668 | |
| 336 | G | A | -1.8003 | |
| 337 | S | A | -1.5944 | |
| 338 | V | A | 0.0000 | |
| 339 | D | A | -3.1394 | |
| 340 | Q | A | -3.1158 | |
| 341 | D | A | -2.6810 | |
| 342 | V | A | 0.0000 | |
| 343 | D | A | -3.1988 | |
| 344 | T | A | -2.3766 | |
| 345 | L | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | G | A | -2.0280 | |
| 348 | E | A | -2.5957 | |
| 349 | L | A | -1.6442 | |
| 350 | N | A | -1.7763 | |
| 351 | F | A | -0.7049 | |
| 352 | L | A | -0.1953 | |
| 353 | P | A | -0.4063 | |
| 354 | G | A | -0.5729 | |
| 355 | T | A | 0.0000 | |
| 356 | V | A | 0.4737 | |
| 357 | F | A | 0.3440 | |
| 358 | T | A | -0.1701 | |
| 359 | T | A | -0.7225 | |
| 360 | D | A | -1.9497 | |
| 361 | L | A | -1.4306 | |
| 362 | P | A | -1.4395 | |
| 363 | Y | A | 0.0000 | |
| 364 | V | A | -0.5036 | |
| 365 | D | A | -1.1013 | |
| 366 | F | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | D | A | -0.5465 | |
| 369 | R | A | -0.7244 | |
| 370 | V | A | -0.3556 | |
| 371 | H | A | -0.4840 | |
| 372 | K | A | -0.9864 | |
| 373 | A | A | 0.0000 | |
| 374 | E | A | 0.0000 | |
| 375 | L | A | -0.4963 | |
| 376 | K | A | -1.8901 | |
| 377 | L | A | -1.6063 | |
| 378 | R | A | -2.0444 | |
| 379 | A | A | -1.5449 | |
| 380 | K | A | -2.4905 | |
| 381 | G | A | -1.9434 | |
| 382 | M | A | -1.2251 | |
| 383 | W | A | -1.3480 | |
| 384 | E | A | -2.1888 | |
| 385 | V | A | 0.0000 | |
| 386 | P | A | -0.1329 | |
| 387 | H | A | 0.0000 | |
| 388 | P | A | 0.0000 | |
| 389 | W | A | 0.3482 | |
| 390 | L | A | 0.0000 | |
| 391 | N | A | 0.0000 | |
| 392 | L | A | 0.0000 | |
| 393 | F | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | P | A | 0.0000 | |
| 396 | A | A | -0.8618 | |
| 397 | S | A | -0.7872 | |
| 398 | R | A | -0.9131 | |
| 399 | I | A | 0.0000 | |
| 400 | A | A | -1.0377 | |
| 401 | D | A | -1.5916 | |
| 402 | F | A | 0.0000 | |
| 403 | D | A | 0.0000 | |
| 404 | R | A | -2.5215 | |
| 405 | G | A | -1.4602 | |
| 406 | V | A | 0.0000 | |
| 407 | F | A | 0.0000 | |
| 408 | R | A | -2.0315 | |
| 409 | G | A | -1.5068 | |
| 410 | V | A | -1.1389 | |
| 411 | L | A | 0.0000 | |
| 412 | G | A | -1.6716 | |
| 413 | G | A | -1.7302 | |
| 414 | R | A | -2.4834 | |
| 415 | T | A | 0.0000 | |
| 416 | A | A | -1.3536 | |
| 417 | G | A | -0.9964 | |
| 418 | A | A | 0.0000 | |
| 419 | G | A | -0.2988 | |
| 420 | G | A | -0.1003 | |
| 421 | P | A | 0.0000 | |
| 422 | V | A | 0.0000 | |
| 423 | L | A | 0.0000 | |
| 424 | I | A | 0.0000 | |
| 425 | Y | A | 0.0000 | |
| 426 | P | A | 0.0000 | |
| 427 | M | A | 0.0000 | |
| 428 | N | A | 0.0000 | |
| 429 | K | A | -2.1031 | |
| 430 | H | A | -1.9741 | |
| 431 | K | A | -1.5584 | |
| 432 | W | A | 0.0000 | |
| 433 | D | A | -1.4919 | |
| 434 | P | A | -1.6492 | |
| 435 | R | A | -2.6414 | |
| 436 | S | A | 0.0000 | |
| 437 | S | A | -0.9320 | |
| 438 | A | A | -0.4672 | |
| 439 | V | A | 0.0000 | |
| 440 | T | A | -0.7302 | |
| 441 | P | A | 0.0000 | |
| 442 | D | A | -2.5108 | |
| 443 | E | A | -2.3661 | |
| 444 | E | A | -2.7502 | |
| 445 | V | A | -1.3969 | |
| 446 | F | A | 0.0000 | |
| 447 | Y | A | 0.0000 | |
| 448 | L | A | 0.0000 | |
| 449 | V | A | 0.0000 | |
| 450 | A | A | 0.0000 | |
| 451 | F | A | 0.0000 | |
| 452 | L | A | 0.1945 | |
| 453 | R | A | 0.0000 | |
| 454 | S | A | -0.1643 | |
| 455 | A | A | 0.0000 | |
| 456 | L | A | -0.2592 | |
| 457 | P | A | -0.4250 | |
| 458 | G | A | -0.6778 | |
| 459 | A | A | -0.5430 | |
| 460 | P | A | -0.7477 | |
| 461 | E | A | -1.2018 | |
| 462 | S | A | -1.1926 | |
| 463 | L | A | -0.8664 | |
| 464 | E | A | -2.2025 | |
| 465 | A | A | -1.7920 | |
| 466 | L | A | 0.0000 | |
| 467 | A | A | -1.8728 | |
| 468 | R | A | -3.0993 | |
| 469 | Q | A | -2.3646 | |
| 470 | N | A | -1.9108 | |
| 471 | Q | A | -2.5580 | |
| 472 | R | A | -2.9985 | |
| 473 | I | A | 0.0000 | |
| 474 | L | A | -1.3808 | |
| 475 | D | A | -2.1233 | |
| 476 | F | A | -1.0685 | |
| 477 | C | A | 0.0000 | |
| 478 | A | A | -0.9086 | |
| 479 | G | A | -0.8245 | |
| 480 | T | A | -0.8051 | |
| 481 | G | A | -0.9011 | |
| 482 | I | A | 0.0000 | |
| 483 | G | A | -0.9966 | |
| 484 | A | A | -0.6097 | |
| 485 | K | A | -0.5242 | |
| 486 | Q | A | -0.2004 | |
| 487 | Y | A | 0.0339 | |
| 488 | L | A | 0.1192 | |
| 489 | P | A | 0.0000 | |
| 490 | G | A | -1.0258 | |
| 491 | H | A | -1.7951 | |
| 492 | K | A | -2.5838 | |
| 493 | A | A | -2.5201 | |
| 494 | R | A | -3.3637 | |
| 495 | H | A | -3.0321 | |
| 496 | E | A | -2.6429 | |
| 497 | W | A | 0.0000 | |
| 498 | A | A | -2.1984 | |
| 499 | E | A | -2.6156 | |
| 500 | H | A | 0.0000 | |
| 501 | F | A | 0.0000 | |
| 502 | G | A | -1.2239 | |
| 503 | A | A | -1.2366 | |
| 504 | A | A | -1.2909 | |
| 505 | R | A | -2.4874 | |
| 506 | W | A | -2.1821 | |
| 507 | D | A | -3.2672 | |
| 508 | R | A | -3.8529 | |
| 509 | F | A | 0.0000 | |
| 510 | A | A | -2.2143 | |
| 511 | R | A | -3.2147 | |
| 512 | L | A | -2.1322 | |
| 513 | K | A | 0.0000 | |
| 514 | A | A | -1.4062 | |
| 515 | E | A | -1.9781 | |
| 516 | F | A | -1.3006 | |
| 517 | D | A | 0.0000 | |
| 518 | P | A | -0.9390 | |
| 519 | R | A | -1.2795 | |
| 520 | A | A | 0.0000 | |
| 521 | I | A | 0.0000 | |
| 522 | L | A | 0.0000 | |
| 523 | A | A | -0.2639 | |
| 524 | A | A | -0.3837 | |
| 525 | G | A | -0.4374 | |
| 526 | Q | A | 0.0000 | |
| 527 | G | A | -0.9778 | |
| 528 | I | A | 0.0000 | |
| 529 | F | A | -0.5654 | |
| 530 | R | A | -0.9374 | |
| 531 | P | A | 0.0000 | |
| 532 | P | A | -1.1087 | |
| 533 | G | A | -1.0978 | |
| 534 | S | A | -0.6538 | |
| 535 | P | A | -0.1161 | |
| 536 | A | A | 0.0435 | |
| 537 | L | A | 0.7344 | |
| 538 | A | A | 0.0285 | |
| 539 | A | A | -0.9225 | |
| 540 | D | A | -2.0422 | |
| 541 | S | A | -0.8094 |
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 | -0.4253 | 7.406 | View | CSV | PDB |
| 4.5 | -0.4798 | 7.406 | View | CSV | PDB |
| 5.0 | -0.5446 | 7.406 | View | CSV | PDB |
| 5.5 | -0.6106 | 7.406 | View | CSV | PDB |
| 6.0 | -0.669 | 7.406 | View | CSV | PDB |
| 6.5 | -0.7133 | 7.406 | View | CSV | PDB |
| 7.0 | -0.742 | 7.406 | View | CSV | PDB |
| 7.5 | -0.7593 | 7.406 | View | CSV | PDB |
| 8.0 | -0.7693 | 7.406 | View | CSV | PDB |
| 8.5 | -0.7719 | 7.406 | View | CSV | PDB |
| 9.0 | -0.7657 | 7.406 | 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