| Chain sequence(s) |
A: MVRNKSACVVLLFSLFLSFGLLCSAKDFPGRRGDDDPPKRYEDCRRRCEWDTRGQKEQQQCEESCKSQYGEKDQQQRHRPEDPQRRYEECQQECRQQEERQRPQCQQRCLKRFEQEQQQSQRQFQECQQHCHQQEQRPERKQQCVRECRERYQENPWRREREEEAEEEETEEGEQEQSHNPFHFHRRSFQSRFREEHGNFRVLQRFASRHPILRGINEFRLSILEANPNTFVLPHHCDAEKIYLVTNGRGTLTFLTHENKESYNVVPGVVVRVPAGSTVYLANQDNKEKLIIAVLHRPVNNPRQFEEFFPAGSQRPQSYLRAFSREILEPAFNTRSEQLDELFGGRQSHRRQQGQGMFRKASQEQIRALSQEATSPREKSGERFAFNLLYRTPRYSNQNGRFYEACPREFRQLSDINVTVSALQLNQGSIFVPHYNSKATFVVLVNEGNGYVEMVSPHLPRQSSFEEEEEQQQEQEQEEERRSGQYRKIRSQLSRGDIFVVPANFPVTFVASQNQNLRMTGFGLYNQNINPDHNQRIFVAGKINHVRQWDSQAKELAFGVSSRLVDEIFNNNPQESYFVSRQRQRASE
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 globular. Max score is recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:18:32)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d5d5e5169807f19/tmp/folded.pdb (00:18:32)
[INFO] Main: Simulation completed successfully. (00:27:08)
|
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 | 1.2654 | |
| 2 | V | A | 0.7947 | |
| 3 | R | A | -1.8103 | |
| 4 | N | A | -2.3266 | |
| 5 | K | A | -2.0045 | |
| 6 | S | A | -0.4858 | |
| 7 | A | A | 0.8800 | |
| 8 | C | A | 2.0725 | |
| 9 | V | A | 3.0681 | |
| 10 | V | A | 4.0196 | |
| 11 | L | A | 4.4211 | |
| 12 | L | A | 4.6782 | |
| 13 | F | A | 5.1570 | |
| 14 | S | A | 3.6757 | |
| 15 | L | A | 3.8511 | |
| 16 | F | A | 4.5657 | |
| 17 | L | A | 3.6939 | |
| 18 | S | A | 2.8743 | |
| 19 | F | A | 3.9131 | |
| 20 | G | A | 2.7222 | |
| 21 | L | A | 3.2354 | |
| 22 | L | A | 3.0183 | |
| 23 | C | A | 1.8569 | |
| 24 | S | A | 0.3210 | |
| 25 | A | A | -0.3837 | |
| 26 | K | A | -2.0637 | |
| 27 | D | A | -1.8050 | |
| 28 | F | A | 0.1860 | |
| 29 | P | A | -0.8428 | |
| 30 | G | A | -1.8834 | |
| 31 | R | A | -3.1893 | |
| 32 | R | A | -3.7670 | |
| 33 | G | A | -3.3138 | |
| 34 | D | A | -4.2928 | |
| 35 | D | A | -3.7679 | |
| 36 | D | A | -2.9907 | |
| 37 | P | A | -2.7547 | |
| 38 | P | A | -2.2731 | |
| 39 | K | A | -3.7182 | |
| 40 | R | A | -3.4572 | |
| 41 | Y | A | -2.7869 | |
| 42 | E | A | -3.4446 | |
| 43 | D | A | -3.5572 | |
| 44 | C | A | -3.2263 | |
| 45 | R | A | -3.8618 | |
| 46 | R | A | -3.7630 | |
| 47 | R | A | -3.7815 | |
| 48 | C | A | 0.0000 | |
| 49 | E | A | -3.7815 | |
| 50 | W | A | -1.9178 | |
| 51 | D | A | -3.1090 | |
| 52 | T | A | -3.6394 | |
| 53 | R | A | -3.4276 | |
| 54 | G | A | -3.4464 | |
| 55 | Q | A | -3.8217 | |
| 56 | K | A | -4.2743 | |
| 57 | E | A | -5.0751 | |
| 58 | Q | A | -4.8473 | |
| 59 | Q | A | -3.9522 | |
| 60 | Q | A | -3.8731 | |
| 61 | C | A | -3.6391 | |
| 62 | E | A | -3.7779 | |
| 63 | E | A | -3.7259 | |
| 64 | S | A | -2.4681 | |
| 65 | C | A | 0.0000 | |
| 66 | K | A | -3.2117 | |
| 67 | S | A | -2.3280 | |
| 68 | Q | A | -2.3149 | |
| 69 | Y | A | -2.4001 | |
| 70 | G | A | -3.1902 | |
| 71 | E | A | -4.3107 | |
| 72 | K | A | -4.5125 | |
| 73 | D | A | -5.0301 | |
| 74 | Q | A | -5.1388 | |
| 75 | Q | A | -4.7458 | |
| 76 | Q | A | -5.0749 | |
| 77 | R | A | -5.1363 | |
| 78 | H | A | -4.1680 | |
| 79 | R | A | -3.9900 | |
| 80 | P | A | -2.5044 | |
| 81 | E | A | -3.0173 | |
| 82 | D | A | 0.0000 | |
| 83 | P | A | -2.5435 | |
| 84 | Q | A | -2.1246 | |
| 85 | R | A | -2.6269 | |
| 86 | R | A | -3.5919 | |
| 87 | Y | A | -2.9744 | |
| 88 | E | A | -2.9320 | |
| 89 | E | A | -4.0610 | |
| 90 | C | A | -3.1694 | |
| 91 | Q | A | -3.2442 | |
| 92 | Q | A | -4.1062 | |
| 93 | E | A | -4.1285 | |
| 94 | C | A | 0.0000 | |
| 95 | R | A | -4.6648 | |
| 96 | Q | A | -4.0021 | |
| 97 | Q | A | -4.3971 | |
| 98 | E | A | -4.6620 | |
| 99 | E | A | -4.8400 | |
| 100 | R | A | -4.2818 | |
| 101 | Q | A | -4.1667 | |
| 102 | R | A | -4.4103 | |
| 103 | P | A | -2.9907 | |
| 104 | Q | A | -2.8579 | |
| 105 | C | A | -2.5676 | |
| 106 | Q | A | -2.6683 | |
| 107 | Q | A | -2.5869 | |
| 108 | R | A | -3.3705 | |
| 109 | C | A | 0.0000 | |
| 110 | L | A | -2.3931 | |
| 111 | K | A | -4.1507 | |
| 112 | R | A | -4.6065 | |
| 113 | F | A | -3.8444 | |
| 114 | E | A | -4.5225 | |
| 115 | Q | A | -4.6619 | |
| 116 | E | A | -4.6422 | |
| 117 | Q | A | -4.2672 | |
| 118 | Q | A | -4.2465 | |
| 119 | Q | A | -4.0369 | |
| 120 | S | A | -3.6445 | |
| 121 | Q | A | -3.8258 | |
| 122 | R | A | -4.3107 | |
| 123 | Q | A | -3.5752 | |
| 124 | F | A | 0.0000 | |
| 125 | Q | A | -3.7594 | |
| 126 | E | A | -3.9079 | |
| 127 | C | A | -3.1541 | |
| 128 | Q | A | -3.2283 | |
| 129 | Q | A | -3.2016 | |
| 130 | H | A | -3.1577 | |
| 131 | C | A | 0.0000 | |
| 132 | H | A | -3.5236 | |
| 133 | Q | A | -3.1423 | |
| 134 | Q | A | -3.3436 | |
| 135 | E | A | -3.9897 | |
| 136 | Q | A | -3.5943 | |
| 137 | R | A | -4.1820 | |
| 138 | P | A | -3.5465 | |
| 139 | E | A | -4.3169 | |
| 140 | R | A | -4.8517 | |
| 141 | K | A | -4.6165 | |
| 142 | Q | A | -4.0024 | |
| 143 | Q | A | -3.8070 | |
| 144 | C | A | -3.3679 | |
| 145 | V | A | -3.4668 | |
| 146 | R | A | -4.3194 | |
| 147 | E | A | -4.5417 | |
| 148 | C | A | 0.0000 | |
| 149 | R | A | -4.7372 | |
| 150 | E | A | -5.0716 | |
| 151 | R | A | -4.3678 | |
| 152 | Y | A | -3.5296 | |
| 153 | Q | A | -3.3925 | |
| 154 | E | A | -4.2366 | |
| 155 | N | A | -3.0088 | |
| 156 | P | A | -2.3498 | |
| 157 | W | A | -2.6725 | |
| 158 | R | A | -4.2325 | |
| 159 | R | A | -5.0544 | |
| 160 | E | A | -5.1049 | |
| 161 | R | A | -5.1953 | |
| 162 | E | A | -5.8459 | |
| 163 | E | A | -6.0932 | |
| 164 | E | A | -6.1368 | |
| 165 | A | A | -5.2111 | |
| 166 | E | A | -5.6009 | |
| 167 | E | A | -5.2616 | |
| 168 | E | A | -5.4948 | |
| 169 | E | A | -4.7054 | |
| 170 | T | A | -3.8031 | |
| 171 | E | A | -4.5743 | |
| 172 | E | A | -4.0905 | |
| 173 | G | A | -3.1703 | |
| 174 | E | A | -3.2228 | |
| 175 | Q | A | -3.4244 | |
| 176 | E | A | -3.4740 | |
| 177 | Q | A | -2.7547 | |
| 178 | S | A | -1.8487 | |
| 179 | H | A | -2.4663 | |
| 180 | N | A | 0.0000 | |
| 181 | P | A | 0.0000 | |
| 182 | F | A | 0.0000 | |
| 183 | H | A | 0.0000 | |
| 184 | F | A | 0.0000 | |
| 185 | H | A | -0.9918 | |
| 186 | R | A | -1.1560 | |
| 187 | R | A | -1.2974 | |
| 188 | S | A | -1.2107 | |
| 189 | F | A | 0.0000 | |
| 190 | Q | A | -1.9049 | |
| 191 | S | A | -1.6641 | |
| 192 | R | A | -1.3500 | |
| 193 | F | A | 0.0000 | |
| 194 | R | A | -2.7913 | |
| 195 | E | A | -2.4740 | |
| 196 | E | A | -2.9235 | |
| 197 | H | A | -2.1659 | |
| 198 | G | A | 0.0000 | |
| 199 | N | A | -1.5640 | |
| 200 | F | A | 0.0000 | |
| 201 | R | A | -1.2151 | |
| 202 | V | A | 0.0000 | |
| 203 | L | A | 0.0000 | |
| 204 | Q | A | -1.7630 | |
| 205 | R | A | -2.5673 | |
| 206 | F | A | 0.0000 | |
| 207 | A | A | -1.6694 | |
| 208 | S | A | -1.0517 | |
| 209 | R | A | -1.4649 | |
| 210 | H | A | -1.0998 | |
| 211 | P | A | -0.6782 | |
| 212 | I | A | -0.3214 | |
| 213 | L | A | 0.0000 | |
| 214 | R | A | -2.2601 | |
| 215 | G | A | -1.4457 | |
| 216 | I | A | 0.0000 | |
| 217 | N | A | -2.0516 | |
| 218 | E | A | -1.9665 | |
| 219 | F | A | 0.0000 | |
| 220 | R | A | -1.4224 | |
| 221 | L | A | 0.0000 | |
| 222 | S | A | 0.0000 | |
| 223 | I | A | 0.0000 | |
| 224 | L | A | 0.0000 | |
| 225 | E | A | 0.0000 | |
| 226 | A | A | 0.0000 | |
| 227 | N | A | -2.2612 | |
| 228 | P | A | -2.4431 | |
| 229 | N | A | 0.0000 | |
| 230 | T | A | 0.0000 | |
| 231 | F | A | -0.4293 | |
| 232 | V | A | 0.0000 | |
| 233 | L | A | 0.0000 | |
| 234 | P | A | 0.1692 | |
| 235 | H | A | 0.0000 | |
| 236 | H | A | -0.2722 | |
| 237 | C | A | 0.0000 | |
| 238 | D | A | -0.7916 | |
| 239 | A | A | 0.0000 | |
| 240 | E | A | -0.4501 | |
| 241 | K | A | 0.0000 | |
| 242 | I | A | 0.0000 | |
| 243 | Y | A | 0.0000 | |
| 244 | L | A | 0.0000 | |
| 245 | V | A | 0.0000 | |
| 246 | T | A | 0.0000 | |
| 247 | N | A | -0.7617 | |
| 248 | G | A | -1.4991 | |
| 249 | R | A | -1.5296 | |
| 250 | G | A | 0.0000 | |
| 251 | T | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | T | A | 0.0000 | |
| 254 | F | A | 0.0000 | |
| 255 | L | A | -0.9568 | |
| 256 | T | A | -1.6169 | |
| 257 | H | A | -2.2475 | |
| 258 | E | A | -2.9600 | |
| 259 | N | A | -2.6955 | |
| 260 | K | A | -2.3198 | |
| 261 | E | A | -1.6923 | |
| 262 | S | A | -1.0459 | |
| 263 | Y | A | 0.0000 | |
| 264 | N | A | -0.7681 | |
| 265 | V | A | 0.0000 | |
| 266 | V | A | -0.1016 | |
| 267 | P | A | -0.0809 | |
| 268 | G | A | 0.0000 | |
| 269 | V | A | 0.0000 | |
| 270 | V | A | 0.0000 | |
| 271 | V | A | 0.0000 | |
| 272 | R | A | -0.8871 | |
| 273 | V | A | 0.0000 | |
| 274 | P | A | -0.5256 | |
| 275 | A | A | -0.1797 | |
| 276 | G | A | -0.3888 | |
| 277 | S | A | 0.0000 | |
| 278 | T | A | -0.1702 | |
| 279 | V | A | 0.0000 | |
| 280 | Y | A | 0.2793 | |
| 281 | L | A | 0.0000 | |
| 282 | A | A | 0.0000 | |
| 283 | N | A | 0.0000 | |
| 284 | Q | A | -2.0635 | |
| 285 | D | A | -2.6278 | |
| 286 | N | A | -2.9379 | |
| 287 | K | A | -3.3051 | |
| 288 | E | A | -3.2461 | |
| 289 | K | A | -2.2567 | |
| 290 | L | A | 0.0000 | |
| 291 | I | A | -0.2905 | |
| 292 | I | A | 0.0000 | |
| 293 | A | A | 0.0000 | |
| 294 | V | A | 0.0000 | |
| 295 | L | A | 0.0000 | |
| 296 | H | A | 0.0000 | |
| 297 | R | A | -1.1441 | |
| 298 | P | A | 0.0000 | |
| 299 | V | A | 0.1303 | |
| 300 | N | A | -1.6764 | |
| 301 | N | A | -2.5270 | |
| 302 | P | A | -2.0557 | |
| 303 | R | A | -3.0245 | |
| 304 | Q | A | -2.9043 | |
| 305 | F | A | 0.0000 | |
| 306 | E | A | -1.4487 | |
| 307 | E | A | -0.4207 | |
| 308 | F | A | 0.2990 | |
| 309 | F | A | 0.0000 | |
| 310 | P | A | 0.0709 | |
| 311 | A | A | -0.0056 | |
| 312 | G | A | -1.1024 | |
| 313 | S | A | -1.7863 | |
| 314 | Q | A | -2.7339 | |
| 315 | R | A | -2.8887 | |
| 316 | P | A | 0.0000 | |
| 317 | Q | A | -2.1436 | |
| 318 | S | A | 0.0000 | |
| 319 | Y | A | 0.6123 | |
| 320 | L | A | 0.4449 | |
| 321 | R | A | -0.2000 | |
| 322 | A | A | 0.3256 | |
| 323 | F | A | 1.0311 | |
| 324 | S | A | -0.1365 | |
| 325 | R | A | -1.4881 | |
| 326 | E | A | -1.4215 | |
| 327 | I | A | 0.8702 | |
| 328 | L | A | 0.0000 | |
| 329 | E | A | -1.5041 | |
| 330 | P | A | -0.7966 | |
| 331 | A | A | 0.2372 | |
| 332 | F | A | 0.5685 | |
| 333 | N | A | -1.0516 | |
| 334 | T | A | -1.7558 | |
| 335 | R | A | -3.1700 | |
| 336 | S | A | -2.8997 | |
| 337 | E | A | -3.3271 | |
| 338 | Q | A | -2.7197 | |
| 339 | L | A | 0.0000 | |
| 340 | D | A | -2.8962 | |
| 341 | E | A | -2.5866 | |
| 342 | L | A | 0.0241 | |
| 343 | F | A | -0.8519 | |
| 344 | G | A | -1.9862 | |
| 345 | G | A | -2.6126 | |
| 346 | R | A | -3.0398 | |
| 347 | Q | A | -3.2864 | |
| 348 | S | A | -3.2964 | |
| 349 | H | A | -3.3612 | |
| 350 | R | A | -3.9820 | |
| 351 | R | A | -4.3404 | |
| 352 | Q | A | -3.7131 | |
| 353 | Q | A | -3.2128 | |
| 354 | G | A | -2.6596 | |
| 355 | Q | A | -2.9603 | |
| 356 | G | A | 0.0000 | |
| 357 | M | A | 0.0000 | |
| 358 | F | A | 0.0000 | |
| 359 | R | A | -1.6938 | |
| 360 | K | A | -2.3520 | |
| 361 | A | A | 0.0000 | |
| 362 | S | A | -2.2658 | |
| 363 | Q | A | -3.3702 | |
| 364 | E | A | -3.5985 | |
| 365 | Q | A | -3.0846 | |
| 366 | I | A | 0.0000 | |
| 367 | R | A | -3.6411 | |
| 368 | A | A | -2.4457 | |
| 369 | L | A | -1.5888 | |
| 370 | S | A | 0.0000 | |
| 371 | Q | A | -2.4854 | |
| 372 | E | A | -2.5796 | |
| 373 | A | A | -1.3379 | |
| 374 | T | A | -1.1138 | |
| 375 | S | A | -0.9040 | |
| 376 | P | A | 0.0000 | |
| 377 | R | A | -3.0897 | |
| 378 | E | A | -2.9769 | |
| 379 | K | A | -3.1341 | |
| 380 | S | A | -2.7118 | |
| 381 | G | A | -2.1061 | |
| 382 | E | A | -2.1839 | |
| 383 | R | A | -2.4218 | |
| 384 | F | A | 0.0000 | |
| 385 | A | A | 0.0000 | |
| 386 | F | A | 0.0000 | |
| 387 | N | A | 0.0000 | |
| 388 | L | A | 0.0000 | |
| 389 | L | A | 0.4163 | |
| 390 | Y | A | 0.2087 | |
| 391 | R | A | -0.8202 | |
| 392 | T | A | -0.7500 | |
| 393 | P | A | -1.3391 | |
| 394 | R | A | -2.2627 | |
| 395 | Y | A | 0.0000 | |
| 396 | S | A | -1.4786 | |
| 397 | N | A | -1.3492 | |
| 398 | Q | A | -1.6628 | |
| 399 | N | A | 0.0000 | |
| 400 | G | A | 0.0000 | |
| 401 | R | A | -2.0375 | |
| 402 | F | A | 0.0000 | |
| 403 | Y | A | 0.0000 | |
| 404 | E | A | -1.0770 | |
| 405 | A | A | 0.0000 | |
| 406 | C | A | -1.6749 | |
| 407 | P | A | 0.0000 | |
| 408 | R | A | -3.7664 | |
| 409 | E | A | -3.3625 | |
| 410 | F | A | 0.0000 | |
| 411 | R | A | -3.4358 | |
| 412 | Q | A | 0.0000 | |
| 413 | L | A | 0.0000 | |
| 414 | S | A | -2.5415 | |
| 415 | D | A | -2.3441 | |
| 416 | I | A | 0.0000 | |
| 417 | N | A | -1.8400 | |
| 418 | V | A | 0.0000 | |
| 419 | T | A | 0.0000 | |
| 420 | V | A | 0.0000 | |
| 421 | S | A | 0.0000 | |
| 422 | A | A | 0.0000 | |
| 423 | L | A | 0.0000 | |
| 424 | Q | A | -1.5951 | |
| 425 | L | A | 0.0000 | |
| 426 | N | A | -2.6110 | |
| 427 | Q | A | -3.1001 | |
| 428 | G | A | 0.0000 | |
| 429 | S | A | 0.0000 | |
| 430 | I | A | 0.0095 | |
| 431 | F | A | 0.0000 | |
| 432 | V | A | 0.0000 | |
| 433 | P | A | 0.1780 | |
| 434 | H | A | 0.0000 | |
| 435 | Y | A | -0.2173 | |
| 436 | N | A | 0.0000 | |
| 437 | S | A | -1.1914 | |
| 438 | K | A | -1.6788 | |
| 439 | A | A | 0.0000 | |
| 440 | T | A | -0.4199 | |
| 441 | F | A | 0.0000 | |
| 442 | V | A | 0.0000 | |
| 443 | V | A | 0.0000 | |
| 444 | L | A | 0.0000 | |
| 445 | V | A | 0.0000 | |
| 446 | N | A | -1.0912 | |
| 447 | E | A | -1.8490 | |
| 448 | G | A | 0.0000 | |
| 449 | N | A | -1.9596 | |
| 450 | G | A | 0.0000 | |
| 451 | Y | A | -0.8801 | |
| 452 | V | A | 0.0000 | |
| 453 | E | A | -1.6731 | |
| 454 | M | A | 0.0000 | |
| 455 | V | A | -0.9217 | |
| 456 | S | A | 0.0000 | |
| 457 | P | A | -1.0918 | |
| 458 | H | A | -1.4051 | |
| 459 | L | A | -1.0187 | |
| 460 | P | A | -1.1163 | |
| 461 | R | A | -2.5178 | |
| 462 | Q | A | -2.0961 | |
| 463 | S | A | -1.5063 | |
| 464 | S | A | -0.8265 | |
| 465 | F | A | 0.3326 | |
| 466 | E | A | -1.9674 | |
| 467 | E | A | -2.9982 | |
| 468 | E | A | -4.3374 | |
| 469 | E | A | -4.9395 | |
| 470 | E | A | -4.7855 | |
| 471 | Q | A | -4.6264 | |
| 472 | Q | A | -4.9947 | |
| 473 | Q | A | -5.1898 | |
| 474 | E | A | -5.2259 | |
| 475 | Q | A | -4.9195 | |
| 476 | E | A | -5.4696 | |
| 477 | Q | A | -5.2819 | |
| 478 | E | A | -5.3390 | |
| 479 | E | A | -5.4963 | |
| 480 | E | A | -5.4890 | |
| 481 | R | A | -5.1975 | |
| 482 | R | A | -4.7466 | |
| 483 | S | A | -3.3667 | |
| 484 | G | A | -2.0169 | |
| 485 | Q | A | -1.9566 | |
| 486 | Y | A | -0.8001 | |
| 487 | R | A | -2.2795 | |
| 488 | K | A | -2.5932 | |
| 489 | I | A | -1.8416 | |
| 490 | R | A | -2.9977 | |
| 491 | S | A | 0.0000 | |
| 492 | Q | A | -1.7483 | |
| 493 | L | A | 0.0000 | |
| 494 | S | A | -1.2448 | |
| 495 | R | A | -1.6786 | |
| 496 | G | A | -1.0299 | |
| 497 | D | A | 0.0000 | |
| 498 | I | A | 0.0000 | |
| 499 | F | A | 0.0000 | |
| 500 | V | A | 0.0000 | |
| 501 | V | A | 0.0000 | |
| 502 | P | A | 0.0000 | |
| 503 | A | A | -0.8172 | |
| 504 | N | A | -1.2555 | |
| 505 | F | A | 0.0000 | |
| 506 | P | A | -0.3075 | |
| 507 | V | A | 0.0000 | |
| 508 | T | A | 0.0000 | |
| 509 | F | A | 0.0000 | |
| 510 | V | A | 0.0000 | |
| 511 | A | A | 0.0000 | |
| 512 | S | A | -2.1124 | |
| 513 | Q | A | -2.9632 | |
| 514 | N | A | -2.8270 | |
| 515 | Q | A | -2.8553 | |
| 516 | N | A | -3.0721 | |
| 517 | L | A | 0.0000 | |
| 518 | R | A | -1.6016 | |
| 519 | M | A | 0.0000 | |
| 520 | T | A | 0.0000 | |
| 521 | G | A | 0.0000 | |
| 522 | F | A | 0.0000 | |
| 523 | G | A | 0.0000 | |
| 524 | L | A | 0.0000 | |
| 525 | Y | A | 0.0000 | |
| 526 | N | A | -1.9930 | |
| 527 | Q | A | -2.2566 | |
| 528 | N | A | -2.1296 | |
| 529 | I | A | -1.9002 | |
| 530 | N | A | -2.6649 | |
| 531 | P | A | 0.0000 | |
| 532 | D | A | -3.1770 | |
| 533 | H | A | -2.5968 | |
| 534 | N | A | -1.9028 | |
| 535 | Q | A | -1.5702 | |
| 536 | R | A | 0.0000 | |
| 537 | I | A | 0.2332 | |
| 538 | F | A | 0.0000 | |
| 539 | V | A | 0.5055 | |
| 540 | A | A | 0.3267 | |
| 541 | G | A | -0.4894 | |
| 542 | K | A | -1.1384 | |
| 543 | I | A | 0.7017 | |
| 544 | N | A | 0.0000 | |
| 545 | H | A | -0.4508 | |
| 546 | V | A | 0.0000 | |
| 547 | R | A | -2.2121 | |
| 548 | Q | A | -1.9886 | |
| 549 | W | A | -1.7811 | |
| 550 | D | A | -2.5647 | |
| 551 | S | A | -2.1063 | |
| 552 | Q | A | -1.4310 | |
| 553 | A | A | -0.5964 | |
| 554 | K | A | 0.0000 | |
| 555 | E | A | -0.3318 | |
| 556 | L | A | 1.2202 | |
| 557 | A | A | 0.9813 | |
| 558 | F | A | 1.4514 | |
| 559 | G | A | 0.6944 | |
| 560 | V | A | 0.8058 | |
| 561 | S | A | -0.2916 | |
| 562 | S | A | -1.2052 | |
| 563 | R | A | -1.9818 | |
| 564 | L | A | -0.3783 | |
| 565 | V | A | 0.0000 | |
| 566 | D | A | -1.9345 | |
| 567 | E | A | -2.0503 | |
| 568 | I | A | 0.1180 | |
| 569 | F | A | -0.6321 | |
| 570 | N | A | -1.7941 | |
| 571 | N | A | -2.1512 | |
| 572 | N | A | -1.9734 | |
| 573 | P | A | -1.6942 | |
| 574 | Q | A | -1.9365 | |
| 575 | E | A | 0.0000 | |
| 576 | S | A | -0.4069 | |
| 577 | Y | A | -0.0259 | |
| 578 | F | A | 0.0000 | |
| 579 | V | A | -0.7413 | |
| 580 | S | A | -1.6828 | |
| 581 | R | A | -2.4418 | |
| 582 | Q | A | -3.3353 | |
| 583 | R | A | -3.8613 | |
| 584 | Q | A | -3.5241 | |
| 585 | R | A | -3.5442 | |
| 586 | A | A | -2.2141 | |
| 587 | S | A | -1.8263 | |
| 588 | E | A | -2.2163 |
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 | -1.656 | 8.2852 | View | CSV | PDB |
| 4.5 | -1.7547 | 8.2852 | View | CSV | PDB |
| 5.0 | -1.8888 | 8.2852 | View | CSV | PDB |
| 5.5 | -2.0354 | 8.2852 | View | CSV | PDB |
| 6.0 | -2.1691 | 8.2852 | View | CSV | PDB |
| 6.5 | -2.2685 | 8.2852 | View | CSV | PDB |
| 7.0 | -2.3228 | 8.2852 | View | CSV | PDB |
| 7.5 | -2.3397 | 8.2852 | View | CSV | PDB |
| 8.0 | -2.3351 | 8.2852 | View | CSV | PDB |
| 8.5 | -2.3198 | 8.2852 | View | CSV | PDB |
| 9.0 | -2.297 | 8.2852 | 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