| Chain sequence(s) | MQPRGERPAGRTQSPEHSSPGPGPEAPPPPQPPAPEAERARPRQARPAAPMEGAMQLLSREGHSVAHNSKRHYHDAFVAMSRMRQRGLLCDIVLHVAAKEIRAHKVVLASCSPYFHAMFTNEMSESRQTHVTLHDIDPQALDQLVQFAYTAEIVVGEGNVQTLLPAASLLQLNGVRDACCKFLLSQLDPSNCLGIRGFADTHSCSDLLKAAHRYVLQHFVDVAKTEEFMLLPLKQVLELVSSDSLNVPSEEDVYRAVLSWVKHDVDTRRQHVPRLMKCVRLPLLSRDFLLGHVDAESLVRHHPDCKDLLIEALKFHLLPEQRGVLGTSRTRPRRCEGAGPVLFAVGGGSLFAIHGDCEAYDTRTDRWHVVASMSTRRARVGVAAVGNRLYAVGGYDGTSDLATVESYDPVTNTWQPEVSMGTRRSCLGVAALHGLLYAAGGYDGASCLNSAERYDPLTGTWTSIAAMSTRRRYVRVATLDGNLYAVGGYDSSSHLATVEKYEPQVNSWTPVASMLSRRSSAGVAVLEGALYVAGGNDGTSCLNSVERYSTKAGAWESVAPMNIRRSTHDLVAMDGWLYAVGGNDGSSSLNSIEKYNPRTNKWVAASCMFTRRSSVGVAVLELLNFPPPSSPTLSVSSTSL input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| 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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:05:47)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/901e54ac736f/tmp/folded.pdb (00:05:47)
[INFO] Main: Simulation completed successfully. (00:08:15)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 0.4203 | |
| 2 | Q | A | -1.2441 | |
| 3 | P | A | -1.7002 | |
| 4 | R | A | -2.8897 | |
| 5 | G | A | -2.8102 | |
| 6 | E | A | -3.4341 | |
| 7 | R | A | -2.9224 | |
| 8 | P | A | -1.6752 | |
| 9 | A | A | -1.1137 | |
| 10 | G | A | -1.3965 | |
| 11 | R | A | -2.3275 | |
| 12 | T | A | -1.7128 | |
| 13 | Q | A | -1.7571 | |
| 14 | S | A | -1.4550 | |
| 15 | P | A | -1.7258 | |
| 16 | E | A | -2.5383 | |
| 17 | H | A | -2.1382 | |
| 18 | S | A | -1.2881 | |
| 19 | S | A | -0.7993 | |
| 20 | P | A | -0.7507 | |
| 21 | G | A | -0.9437 | |
| 22 | P | A | -1.1257 | |
| 23 | G | A | -1.3049 | |
| 24 | P | A | -1.5032 | |
| 25 | E | A | -2.1639 | |
| 26 | A | A | -1.1594 | |
| 27 | P | A | -0.9334 | |
| 28 | P | A | -0.9250 | |
| 29 | P | A | -0.8687 | |
| 30 | P | A | -1.1454 | |
| 31 | Q | A | -1.5924 | |
| 32 | P | A | -1.0579 | |
| 33 | P | A | -0.9657 | |
| 34 | A | A | -0.8334 | |
| 35 | P | A | -1.3934 | |
| 36 | E | A | -2.6107 | |
| 37 | A | A | -2.2198 | |
| 38 | E | A | -3.3644 | |
| 39 | R | A | -3.3100 | |
| 40 | A | A | -2.2522 | |
| 41 | R | A | -3.1204 | |
| 42 | P | A | -2.2987 | |
| 43 | R | A | -2.9707 | |
| 44 | Q | A | -2.7191 | |
| 45 | A | A | -1.9190 | |
| 46 | R | A | -2.1958 | |
| 47 | P | A | -1.1163 | |
| 48 | A | A | -0.4407 | |
| 49 | A | A | 0.1097 | |
| 50 | P | A | -0.0852 | |
| 51 | M | A | -0.1482 | |
| 52 | E | A | -1.5091 | |
| 53 | G | A | -0.9961 | |
| 54 | A | A | -0.1676 | |
| 55 | M | A | 1.0182 | |
| 56 | Q | A | 0.4319 | |
| 57 | L | A | 1.7436 | |
| 58 | L | A | 1.2805 | |
| 59 | S | A | -0.5697 | |
| 60 | R | A | -2.5105 | |
| 61 | E | A | -3.1002 | |
| 62 | G | A | -2.1642 | |
| 63 | H | A | -1.6536 | |
| 64 | S | A | -0.2640 | |
| 65 | V | A | 1.0121 | |
| 66 | A | A | -0.0392 | |
| 67 | H | A | -1.3659 | |
| 68 | N | A | -2.4914 | |
| 69 | S | A | -2.7072 | |
| 70 | K | A | -3.3998 | |
| 71 | R | A | -3.4817 | |
| 72 | H | A | -2.4502 | |
| 73 | Y | A | -0.5986 | |
| 74 | H | A | -1.6141 | |
| 75 | D | A | -1.4941 | |
| 76 | A | A | -0.4332 | |
| 77 | F | A | 0.1463 | |
| 78 | V | A | 0.0222 | |
| 79 | A | A | -0.2866 | |
| 80 | M | A | -0.1173 | |
| 81 | S | A | -1.0398 | |
| 82 | R | A | -2.1856 | |
| 83 | M | A | -0.8581 | |
| 84 | R | A | -1.7414 | |
| 85 | Q | A | -2.8976 | |
| 86 | R | A | -2.6854 | |
| 87 | G | A | -1.5682 | |
| 88 | L | A | 0.0486 | |
| 89 | L | A | 1.2343 | |
| 90 | C | A | -0.1601 | |
| 91 | D | A | -0.8745 | |
| 92 | I | A | 0.0000 | |
| 93 | V | A | -1.8592 | |
| 94 | L | A | 0.0000 | |
| 95 | H | A | -1.6718 | |
| 96 | V | A | 0.0000 | |
| 97 | A | A | -0.9391 | |
| 98 | A | A | -0.7218 | |
| 99 | K | A | -1.8637 | |
| 100 | E | A | -2.8046 | |
| 101 | I | A | 0.0000 | |
| 102 | R | A | -2.8310 | |
| 103 | A | A | 0.0000 | |
| 104 | H | A | 0.0000 | |
| 105 | K | A | 0.0720 | |
| 106 | V | A | 1.4175 | |
| 107 | V | A | 0.0000 | |
| 108 | L | A | 0.0000 | |
| 109 | A | A | 0.2129 | |
| 110 | S | A | 0.1811 | |
| 111 | C | A | -0.0579 | |
| 112 | S | A | 0.0000 | |
| 113 | P | A | -0.7537 | |
| 114 | Y | A | -0.0812 | |
| 115 | F | A | 0.0000 | |
| 116 | H | A | -0.5316 | |
| 117 | A | A | -0.6405 | |
| 118 | M | A | 0.0000 | |
| 119 | F | A | -0.7996 | |
| 120 | T | A | -1.1904 | |
| 121 | N | A | -1.8490 | |
| 122 | E | A | -2.3509 | |
| 123 | M | A | -1.3202 | |
| 124 | S | A | -1.4322 | |
| 125 | E | A | -1.8111 | |
| 126 | S | A | -1.9370 | |
| 127 | R | A | -2.7342 | |
| 128 | Q | A | -2.0901 | |
| 129 | T | A | -1.7674 | |
| 130 | H | A | -2.0860 | |
| 131 | V | A | 0.0000 | |
| 132 | T | A | -0.8659 | |
| 133 | L | A | 0.0000 | |
| 134 | H | A | -1.9551 | |
| 135 | D | A | -2.2661 | |
| 136 | I | A | 0.0000 | |
| 137 | D | A | -1.6124 | |
| 138 | P | A | -1.7107 | |
| 139 | Q | A | -1.6874 | |
| 140 | A | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | D | A | -1.6497 | |
| 143 | Q | A | -0.7709 | |
| 144 | L | A | 0.0000 | |
| 145 | V | A | 0.0000 | |
| 146 | Q | A | -1.0069 | |
| 147 | F | A | -0.3658 | |
| 148 | A | A | 0.0000 | |
| 149 | Y | A | 0.0000 | |
| 150 | T | A | -0.5149 | |
| 151 | A | A | -0.7510 | |
| 152 | E | A | -1.2231 | |
| 153 | I | A | 0.3952 | |
| 154 | V | A | 1.6710 | |
| 155 | V | A | 0.2830 | |
| 156 | G | A | -0.6990 | |
| 157 | E | A | -2.3055 | |
| 158 | G | A | -1.6278 | |
| 159 | N | A | -1.2698 | |
| 160 | V | A | 0.0000 | |
| 161 | Q | A | -1.4375 | |
| 162 | T | A | -1.1272 | |
| 163 | L | A | 0.0000 | |
| 164 | L | A | 0.0000 | |
| 165 | P | A | -0.6283 | |
| 166 | A | A | 0.0000 | |
| 167 | A | A | 0.0000 | |
| 168 | S | A | -0.7635 | |
| 169 | L | A | 0.0072 | |
| 170 | L | A | 0.0000 | |
| 171 | Q | A | -1.4503 | |
| 172 | L | A | 0.0000 | |
| 173 | N | A | -2.2907 | |
| 174 | G | A | -1.7166 | |
| 175 | V | A | 0.0000 | |
| 176 | R | A | -2.0803 | |
| 177 | D | A | -2.2890 | |
| 178 | A | A | -1.0589 | |
| 179 | C | A | 0.0000 | |
| 180 | C | A | 0.0000 | |
| 181 | K | A | -1.9725 | |
| 182 | F | A | -0.9353 | |
| 183 | L | A | 0.0000 | |
| 184 | L | A | -0.4818 | |
| 185 | S | A | -0.6387 | |
| 186 | Q | A | -1.1257 | |
| 187 | L | A | -0.6095 | |
| 188 | D | A | -1.5436 | |
| 189 | P | A | -1.5158 | |
| 190 | S | A | -1.7487 | |
| 191 | N | A | -1.4262 | |
| 192 | C | A | 0.0000 | |
| 193 | L | A | 0.0000 | |
| 194 | G | A | -0.8189 | |
| 195 | I | A | 0.0000 | |
| 196 | R | A | 0.0000 | |
| 197 | G | A | -0.8943 | |
| 198 | F | A | -0.7284 | |
| 199 | A | A | 0.0000 | |
| 200 | D | A | -2.1577 | |
| 201 | T | A | -1.0391 | |
| 202 | H | A | -0.7808 | |
| 203 | S | A | -1.1910 | |
| 204 | C | A | 0.0000 | |
| 205 | S | A | -1.8939 | |
| 206 | D | A | -2.6475 | |
| 207 | L | A | 0.0000 | |
| 208 | L | A | -1.9509 | |
| 209 | K | A | -2.8508 | |
| 210 | A | A | -1.5862 | |
| 211 | A | A | 0.0000 | |
| 212 | H | A | -1.5029 | |
| 213 | R | A | -2.1156 | |
| 214 | Y | A | -0.9927 | |
| 215 | V | A | 0.0000 | |
| 216 | L | A | 0.0000 | |
| 217 | Q | A | -1.2164 | |
| 218 | H | A | -1.0244 | |
| 219 | F | A | 0.0000 | |
| 220 | V | A | -1.0645 | |
| 221 | D | A | -1.9819 | |
| 222 | V | A | 0.0000 | |
| 223 | A | A | 0.0000 | |
| 224 | K | A | -2.7321 | |
| 225 | T | A | -2.1174 | |
| 226 | E | A | -2.3054 | |
| 227 | E | A | -1.5246 | |
| 228 | F | A | 0.0000 | |
| 229 | M | A | -0.7865 | |
| 230 | L | A | 0.7069 | |
| 231 | L | A | 0.0000 | |
| 232 | P | A | -0.1987 | |
| 233 | L | A | -1.0356 | |
| 234 | K | A | -2.1867 | |
| 235 | Q | A | -1.7393 | |
| 236 | V | A | 0.0000 | |
| 237 | L | A | -1.7798 | |
| 238 | E | A | -2.3189 | |
| 239 | L | A | 0.0000 | |
| 240 | V | A | 0.0000 | |
| 241 | S | A | -1.4006 | |
| 242 | S | A | -1.7216 | |
| 243 | D | A | -2.9533 | |
| 244 | S | A | -2.3620 | |
| 245 | L | A | 0.0000 | |
| 246 | N | A | -1.3792 | |
| 247 | V | A | -0.3690 | |
| 248 | P | A | -0.0647 | |
| 249 | S | A | -0.4494 | |
| 250 | E | A | 0.0000 | |
| 251 | E | A | -0.8887 | |
| 252 | D | A | -0.8420 | |
| 253 | V | A | 0.0000 | |
| 254 | Y | A | 0.0000 | |
| 255 | R | A | -1.6045 | |
| 256 | A | A | 0.0000 | |
| 257 | V | A | 0.0000 | |
| 258 | L | A | -0.9702 | |
| 259 | S | A | -1.3199 | |
| 260 | W | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | K | A | -2.4541 | |
| 263 | H | A | -1.8530 | |
| 264 | D | A | -1.9088 | |
| 265 | V | A | -2.1286 | |
| 266 | D | A | -2.7402 | |
| 267 | T | A | -2.0427 | |
| 268 | R | A | -2.3878 | |
| 269 | R | A | -3.2064 | |
| 270 | Q | A | -2.7430 | |
| 271 | H | A | -1.9818 | |
| 272 | V | A | 0.0000 | |
| 273 | P | A | -2.2000 | |
| 274 | R | A | -2.5265 | |
| 275 | L | A | 0.0000 | |
| 276 | M | A | 0.0000 | |
| 277 | K | A | -1.9321 | |
| 278 | C | A | -1.4440 | |
| 279 | V | A | 0.0000 | |
| 280 | R | A | -0.9898 | |
| 281 | L | A | 0.0000 | |
| 282 | P | A | 0.0000 | |
| 283 | L | A | -0.4812 | |
| 284 | L | A | 0.0000 | |
| 285 | S | A | -0.8535 | |
| 286 | R | A | -1.2758 | |
| 287 | D | A | -2.1174 | |
| 288 | F | A | 0.0000 | |
| 289 | L | A | 0.0000 | |
| 290 | L | A | -0.3892 | |
| 291 | G | A | -1.2489 | |
| 292 | H | A | -1.6686 | |
| 293 | V | A | 0.0000 | |
| 294 | D | A | -1.3248 | |
| 295 | A | A | -0.8728 | |
| 296 | E | A | -1.0956 | |
| 297 | S | A | -1.1401 | |
| 298 | L | A | -1.3472 | |
| 299 | V | A | 0.0000 | |
| 300 | R | A | -2.4668 | |
| 301 | H | A | -2.1806 | |
| 302 | H | A | -2.2907 | |
| 303 | P | A | -2.0129 | |
| 304 | D | A | -2.7088 | |
| 305 | C | A | 0.0000 | |
| 306 | K | A | -2.4092 | |
| 307 | D | A | -2.0081 | |
| 308 | L | A | 0.0000 | |
| 309 | L | A | 0.0000 | |
| 310 | I | A | 0.8356 | |
| 311 | E | A | 0.0055 | |
| 312 | A | A | 0.0000 | |
| 313 | L | A | 0.8951 | |
| 314 | K | A | 0.4377 | |
| 315 | F | A | 0.0000 | |
| 316 | H | A | 0.0000 | |
| 317 | L | A | 1.3458 | |
| 318 | L | A | 0.7873 | |
| 319 | P | A | -0.1720 | |
| 320 | E | A | -0.6427 | |
| 321 | Q | A | -0.4463 | |
| 322 | R | A | 0.0000 | |
| 323 | G | A | -0.3276 | |
| 324 | V | A | 1.0777 | |
| 325 | L | A | 0.4004 | |
| 326 | G | A | -0.5372 | |
| 327 | T | A | -0.7069 | |
| 328 | S | A | -1.4087 | |
| 329 | R | A | -1.5121 | |
| 330 | T | A | -1.5155 | |
| 331 | R | A | -2.8727 | |
| 332 | P | A | -2.1946 | |
| 333 | R | A | -2.6990 | |
| 334 | R | A | -3.2475 | |
| 335 | C | A | -2.3179 | |
| 336 | E | A | -2.2933 | |
| 337 | G | A | -1.4120 | |
| 338 | A | A | -1.2302 | |
| 339 | G | A | 0.0000 | |
| 340 | P | A | -0.9279 | |
| 341 | V | A | 0.0000 | |
| 342 | L | A | 0.0000 | |
| 343 | F | A | 0.0000 | |
| 344 | A | A | 0.0000 | |
| 345 | V | A | 0.0000 | |
| 346 | G | A | 0.0000 | |
| 347 | G | A | 0.0000 | |
| 348 | G | A | 0.0000 | |
| 349 | S | A | 0.8145 | |
| 350 | L | A | 2.2850 | |
| 351 | F | A | 2.7446 | |
| 352 | A | A | 1.3295 | |
| 353 | I | A | 0.2862 | |
| 354 | H | A | -1.0353 | |
| 355 | G | A | -1.3441 | |
| 356 | D | A | -0.8265 | |
| 357 | C | A | 0.0000 | |
| 358 | E | A | 0.0000 | |
| 359 | A | A | 0.0000 | |
| 360 | Y | A | 0.0000 | |
| 361 | D | A | 0.0000 | |
| 362 | T | A | -1.9902 | |
| 363 | R | A | -2.4907 | |
| 364 | T | A | -2.1346 | |
| 365 | D | A | -2.6171 | |
| 366 | R | A | -2.7204 | |
| 367 | W | A | 0.0000 | |
| 368 | H | A | 0.5987 | |
| 369 | V | A | 2.0461 | |
| 370 | V | A | 0.7048 | |
| 371 | A | A | 0.0455 | |
| 372 | S | A | -0.5812 | |
| 373 | M | A | 0.0000 | |
| 374 | S | A | -0.9875 | |
| 375 | T | A | -1.0962 | |
| 376 | R | A | -1.9882 | |
| 377 | R | A | 0.0000 | |
| 378 | A | A | 0.0000 | |
| 379 | R | A | -0.4263 | |
| 380 | V | A | 0.0000 | |
| 381 | G | A | 0.0000 | |
| 382 | V | A | 0.0000 | |
| 383 | A | A | 0.0000 | |
| 384 | A | A | -0.4297 | |
| 385 | V | A | 0.0000 | |
| 386 | G | A | -1.1861 | |
| 387 | N | A | -1.3156 | |
| 388 | R | A | -0.7047 | |
| 389 | L | A | 0.0000 | |
| 390 | Y | A | 0.0000 | |
| 391 | A | A | 0.0000 | |
| 392 | V | A | 0.0000 | |
| 393 | G | A | 0.0000 | |
| 394 | G | A | 0.0000 | |
| 395 | Y | A | -0.6236 | |
| 396 | D | A | -0.8690 | |
| 397 | G | A | -0.2944 | |
| 398 | T | A | -0.3174 | |
| 399 | S | A | -0.5505 | |
| 400 | D | A | -0.8032 | |
| 401 | L | A | -0.5721 | |
| 402 | A | A | -0.5886 | |
| 403 | T | A | -0.1521 | |
| 404 | V | A | 0.0000 | |
| 405 | E | A | 0.0000 | |
| 406 | S | A | 0.0000 | |
| 407 | Y | A | 0.0000 | |
| 408 | D | A | -0.2963 | |
| 409 | P | A | 0.0000 | |
| 410 | V | A | 1.4805 | |
| 411 | T | A | 0.4545 | |
| 412 | N | A | -0.0279 | |
| 413 | T | A | -0.3333 | |
| 414 | W | A | -0.8568 | |
| 415 | Q | A | -1.4371 | |
| 416 | P | A | -0.7029 | |
| 417 | E | A | -0.0725 | |
| 418 | V | A | 1.1261 | |
| 419 | S | A | 0.1985 | |
| 420 | M | A | 0.0000 | |
| 421 | G | A | -0.6307 | |
| 422 | T | A | -0.9819 | |
| 423 | R | A | -1.6237 | |
| 424 | R | A | 0.0000 | |
| 425 | S | A | 0.0000 | |
| 426 | C | A | 0.0000 | |
| 427 | L | A | 0.0000 | |
| 428 | G | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | A | A | 0.0000 | |
| 431 | A | A | -0.2089 | |
| 432 | L | A | 0.0000 | |
| 433 | H | A | -0.9519 | |
| 434 | G | A | -0.9545 | |
| 435 | L | A | 0.0000 | |
| 436 | L | A | 0.0000 | |
| 437 | Y | A | 0.0000 | |
| 438 | A | A | 0.0000 | |
| 439 | A | A | 0.0000 | |
| 440 | G | A | 0.0000 | |
| 441 | G | A | 0.0000 | |
| 442 | Y | A | -0.5480 | |
| 443 | D | A | -0.9147 | |
| 444 | G | A | -0.7966 | |
| 445 | A | A | -0.2398 | |
| 446 | S | A | -0.4971 | |
| 447 | C | A | 0.0000 | |
| 448 | L | A | 0.0000 | |
| 449 | N | A | -1.0864 | |
| 450 | S | A | -0.5059 | |
| 451 | A | A | 0.0000 | |
| 452 | E | A | 0.0000 | |
| 453 | R | A | 0.0000 | |
| 454 | Y | A | 0.0000 | |
| 455 | D | A | 0.0000 | |
| 456 | P | A | -0.0903 | |
| 457 | L | A | -0.4505 | |
| 458 | T | A | -0.4179 | |
| 459 | G | A | -0.1128 | |
| 460 | T | A | 0.2362 | |
| 461 | W | A | 0.1752 | |
| 462 | T | A | -0.1565 | |
| 463 | S | A | -0.2800 | |
| 464 | I | A | 0.0000 | |
| 465 | A | A | -0.1599 | |
| 466 | A | A | -0.4355 | |
| 467 | M | A | 0.0000 | |
| 468 | S | A | -0.6106 | |
| 469 | T | A | -0.9847 | |
| 470 | R | A | -1.7458 | |
| 471 | R | A | 0.0000 | |
| 472 | R | A | -0.5108 | |
| 473 | Y | A | 0.0891 | |
| 474 | V | A | 0.0000 | |
| 475 | R | A | -0.2168 | |
| 476 | V | A | 0.0000 | |
| 477 | A | A | 0.0000 | |
| 478 | T | A | -0.4435 | |
| 479 | L | A | 0.0000 | |
| 480 | D | A | -1.9349 | |
| 481 | G | A | -1.3585 | |
| 482 | N | A | 0.0000 | |
| 483 | L | A | 0.0000 | |
| 484 | Y | A | 0.0000 | |
| 485 | A | A | 0.0000 | |
| 486 | V | A | 0.0000 | |
| 487 | G | A | 0.0000 | |
| 488 | G | A | 0.0000 | |
| 489 | Y | A | -0.7156 | |
| 490 | D | A | -1.0433 | |
| 491 | S | A | -0.7317 | |
| 492 | S | A | -0.4310 | |
| 493 | S | A | -0.7070 | |
| 494 | H | A | -1.1194 | |
| 495 | L | A | 0.0000 | |
| 496 | A | A | -0.6266 | |
| 497 | T | A | -0.2435 | |
| 498 | V | A | 0.0000 | |
| 499 | E | A | 0.0000 | |
| 500 | K | A | -0.3935 | |
| 501 | Y | A | 0.0000 | |
| 502 | E | A | -0.7586 | |
| 503 | P | A | 0.0000 | |
| 504 | Q | A | -0.8548 | |
| 505 | V | A | 0.6220 | |
| 506 | N | A | -0.5120 | |
| 507 | S | A | -0.2490 | |
| 508 | W | A | -0.1166 | |
| 509 | T | A | -0.2506 | |
| 510 | P | A | -0.2413 | |
| 511 | V | A | 0.0283 | |
| 512 | A | A | 0.1593 | |
| 513 | S | A | -0.0258 | |
| 514 | M | A | 0.0000 | |
| 515 | L | A | 0.8326 | |
| 516 | S | A | -0.3249 | |
| 517 | R | A | -1.8320 | |
| 518 | R | A | 0.0000 | |
| 519 | S | A | 0.0000 | |
| 520 | S | A | 0.0000 | |
| 521 | A | A | 0.0000 | |
| 522 | G | A | 0.0000 | |
| 523 | V | A | 0.0000 | |
| 524 | A | A | 0.0000 | |
| 525 | V | A | -0.2972 | |
| 526 | L | A | 0.0000 | |
| 527 | E | A | -1.9527 | |
| 528 | G | A | -1.7191 | |
| 529 | A | A | -1.1759 | |
| 530 | L | A | 0.0000 | |
| 531 | Y | A | 0.0000 | |
| 532 | V | A | 0.0000 | |
| 533 | A | A | 0.0000 | |
| 534 | G | A | 0.0000 | |
| 535 | G | A | 0.0000 | |
| 536 | N | A | -1.3182 | |
| 537 | D | A | -1.5079 | |
| 538 | G | A | -1.1618 | |
| 539 | T | A | -0.7138 | |
| 540 | S | A | -0.7852 | |
| 541 | C | A | -0.9915 | |
| 542 | L | A | -0.7985 | |
| 543 | N | A | -1.1809 | |
| 544 | S | A | -0.6094 | |
| 545 | V | A | 0.0000 | |
| 546 | E | A | 0.0000 | |
| 547 | R | A | -0.7247 | |
| 548 | Y | A | 0.0000 | |
| 549 | S | A | -1.2166 | |
| 550 | T | A | -1.3080 | |
| 551 | K | A | -1.8244 | |
| 552 | A | A | -0.9132 | |
| 553 | G | A | -0.7248 | |
| 554 | A | A | -0.5245 | |
| 555 | W | A | 0.0000 | |
| 556 | E | A | -1.1495 | |
| 557 | S | A | -0.6859 | |
| 558 | V | A | 0.0000 | |
| 559 | A | A | -1.1013 | |
| 560 | P | A | -1.1333 | |
| 561 | M | A | 0.0000 | |
| 562 | N | A | -1.2981 | |
| 563 | I | A | -0.6731 | |
| 564 | R | A | -1.9020 | |
| 565 | R | A | 0.0000 | |
| 566 | S | A | -0.8701 | |
| 567 | T | A | -0.3080 | |
| 568 | H | A | 0.0000 | |
| 569 | D | A | -0.1934 | |
| 570 | L | A | 0.0000 | |
| 571 | V | A | 0.3080 | |
| 572 | A | A | -0.3587 | |
| 573 | M | A | 0.0000 | |
| 574 | D | A | -1.8430 | |
| 575 | G | A | -1.5635 | |
| 576 | W | A | -0.9637 | |
| 577 | L | A | 0.0000 | |
| 578 | Y | A | 0.0000 | |
| 579 | A | A | 0.0000 | |
| 580 | V | A | 0.0000 | |
| 581 | G | A | 0.0000 | |
| 582 | G | A | 0.0000 | |
| 583 | N | A | -1.1975 | |
| 584 | D | A | -1.3671 | |
| 585 | G | A | -1.2344 | |
| 586 | S | A | -0.5332 | |
| 587 | S | A | -0.5345 | |
| 588 | S | A | -0.6650 | |
| 589 | L | A | 0.0000 | |
| 590 | N | A | -0.4564 | |
| 591 | S | A | 0.0795 | |
| 592 | I | A | 0.0000 | |
| 593 | E | A | 0.0000 | |
| 594 | K | A | -0.1948 | |
| 595 | Y | A | 0.0000 | |
| 596 | N | A | -1.3716 | |
| 597 | P | A | -1.9438 | |
| 598 | R | A | -2.4616 | |
| 599 | T | A | -1.9578 | |
| 600 | N | A | -2.3659 | |
| 601 | K | A | -2.4064 | |
| 602 | W | A | 0.0000 | |
| 603 | V | A | 0.5980 | |
| 604 | A | A | 0.5818 | |
| 605 | A | A | -0.0909 | |
| 606 | S | A | -0.4126 | |
| 607 | C | A | 0.2334 | |
| 608 | M | A | 0.0000 | |
| 609 | F | A | 1.8891 | |
| 610 | T | A | 0.2138 | |
| 611 | R | A | -1.0911 | |
| 612 | R | A | 0.0000 | |
| 613 | S | A | -0.4861 | |
| 614 | S | A | -0.2363 | |
| 615 | V | A | 0.0000 | |
| 616 | G | A | 0.0000 | |
| 617 | V | A | 0.0000 | |
| 618 | A | A | 0.0000 | |
| 619 | V | A | -0.0117 | |
| 620 | L | A | 0.0000 | |
| 621 | E | A | -1.3317 | |
| 622 | L | A | -0.7096 | |
| 623 | L | A | -0.7432 | |
| 624 | N | A | -1.1056 | |
| 625 | F | A | -0.4934 | |
| 626 | P | A | -0.0526 | |
| 627 | P | A | -0.2878 | |
| 628 | P | A | -0.6353 | |
| 629 | S | A | -0.5122 | |
| 630 | S | A | 0.0269 | |
| 631 | P | A | 0.2005 | |
| 632 | T | A | 0.8528 | |
| 633 | L | A | 2.0058 | |
| 634 | S | A | 1.2564 | |
| 635 | V | A | 1.9422 | |
| 636 | S | A | 0.6667 | |
| 637 | S | A | 0.2392 | |
| 638 | T | A | 0.2426 | |
| 639 | S | A | 0.4606 | |
| 640 | L | A | 1.3963 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.6837 | 5.2814 | View | CSV | PDB |
| 4.5 | -0.7301 | 5.2814 | View | CSV | PDB |
| 5.0 | -0.7834 | 5.2814 | View | CSV | PDB |
| 5.5 | -0.8334 | 5.2814 | View | CSV | PDB |
| 6.0 | -0.873 | 5.2814 | View | CSV | PDB |
| 6.5 | -0.8999 | 5.2814 | View | CSV | PDB |
| 7.0 | -0.9159 | 5.2814 | View | CSV | PDB |
| 7.5 | -0.9247 | 5.2814 | View | CSV | PDB |
| 8.0 | -0.9287 | 5.2814 | View | CSV | PDB |
| 8.5 | -0.9273 | 5.2814 | View | CSV | PDB |
| 9.0 | -0.9187 | 5.2814 | 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