| Chain sequence(s) | MAELGELKHMVMSFRVSELQVLLGFAGRNKSGRKHELLAKALHLLKSSCAPSVQMKIKELYRRRFPRKTLGPSDLSLLSLPPGTSPVGSPGPLAPIPPTLLTPGTLLGPKREVDMHPPLPQPVHPDVTMKPLPFYEVYGELIRPTTLASTSSQRFEEAHFTFALTPQQLQQILTSREVLPGAKCDYTIQVQLRFCLCETSCPQEDYFPPNLFVKVNGKLCPLPGYLPPTKNGAEPKRPSRPINITPLARLSATVPNTIVVNWSSEFGRNYSLSVYLVRQLTAGTLLQKLRAKGIRNPDHSRALIKEKLTADPDSEVATTSLRVSLMCPLGKMRLTVPCRALTCAHLQSFDAALYLQMNEKKPTWTCPVCDKKAPYESLIIDGLFMEILNSCSDCDEIQFMEDGSWCPMKPKKEASEVCPPPGYGLDGLQYSAVQEGIQPESKKRVEVIDLTIESSSDEEDLPPTKKHCPVTSAAIPALPGSKGALTSGHQPSSVLRSPAMGTLGSDFLSSLPLHEYPPAFPLGADIQGLDLFSFLQTESQHYGPSVITSLDEQDTLGHFFQYRGTPSHFLGPLAPTLGSSHRSSTPAPPPGRVSSIVAPGSSLREGHGGPLPSGPSLTGCRSDVISLD 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] (00:00:02)
[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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:13:38)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/eb2092c9f2734f/tmp/folded.pdb (00:13:38)
[INFO] Main: Simulation completed successfully. (00:39:32)
|
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 | 0.3554 | |
| 2 | A | A | -0.7695 | |
| 3 | E | A | -2.3505 | |
| 4 | L | A | -1.5821 | |
| 5 | G | A | -1.9745 | |
| 6 | E | A | -2.9485 | |
| 7 | L | A | 0.0000 | |
| 8 | K | A | -1.9899 | |
| 9 | H | A | -1.8524 | |
| 10 | M | A | 0.0000 | |
| 11 | V | A | 0.0000 | |
| 12 | M | A | -0.0487 | |
| 13 | S | A | -0.2466 | |
| 14 | F | A | 0.0000 | |
| 15 | R | A | -1.7568 | |
| 16 | V | A | -1.2329 | |
| 17 | S | A | -0.4706 | |
| 18 | E | A | 0.0000 | |
| 19 | L | A | 0.0000 | |
| 20 | Q | A | -0.8325 | |
| 21 | V | A | 0.9859 | |
| 22 | L | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | G | A | -0.4452 | |
| 25 | F | A | 0.9741 | |
| 26 | A | A | -0.1280 | |
| 27 | G | A | -0.9231 | |
| 28 | R | A | -1.9943 | |
| 29 | N | A | -2.8510 | |
| 30 | K | A | -2.6964 | |
| 31 | S | A | -2.1462 | |
| 32 | G | A | -2.3106 | |
| 33 | R | A | -2.9632 | |
| 34 | K | A | -2.7839 | |
| 35 | H | A | -2.0904 | |
| 36 | E | A | -2.0829 | |
| 37 | L | A | 0.0000 | |
| 38 | L | A | -1.0514 | |
| 39 | A | A | -0.9181 | |
| 40 | K | A | -1.6697 | |
| 41 | A | A | 0.0000 | |
| 42 | L | A | -0.8818 | |
| 43 | H | A | -1.6155 | |
| 44 | L | A | -1.0868 | |
| 45 | L | A | 0.0000 | |
| 46 | K | A | -2.1695 | |
| 47 | S | A | -1.2959 | |
| 48 | S | A | -0.8465 | |
| 49 | C | A | -0.5226 | |
| 50 | A | A | -0.0608 | |
| 51 | P | A | -0.1791 | |
| 52 | S | A | 0.0636 | |
| 53 | V | A | 0.0000 | |
| 54 | Q | A | -0.3525 | |
| 55 | M | A | 0.3185 | |
| 56 | K | A | -0.0648 | |
| 57 | I | A | 0.0000 | |
| 58 | K | A | -1.3024 | |
| 59 | E | A | -1.2413 | |
| 60 | L | A | 0.0000 | |
| 61 | Y | A | -1.1146 | |
| 62 | R | A | -2.5001 | |
| 63 | R | A | -1.4411 | |
| 64 | R | A | -1.2585 | |
| 65 | F | A | -0.6734 | |
| 66 | P | A | -1.8720 | |
| 67 | R | A | -2.8258 | |
| 68 | K | A | -2.2960 | |
| 69 | T | A | -1.1027 | |
| 70 | L | A | -0.1680 | |
| 71 | G | A | -0.4585 | |
| 72 | P | A | -0.4220 | |
| 73 | S | A | -0.5264 | |
| 74 | D | A | -0.8232 | |
| 75 | L | A | 1.2017 | |
| 76 | S | A | 1.0253 | |
| 77 | L | A | 2.3391 | |
| 78 | L | A | 2.6960 | |
| 79 | S | A | 1.5628 | |
| 80 | L | A | 1.7385 | |
| 81 | P | A | 0.3016 | |
| 82 | P | A | -0.2279 | |
| 83 | G | A | -0.7216 | |
| 84 | T | A | -0.5409 | |
| 85 | S | A | -0.1294 | |
| 86 | P | A | 0.3495 | |
| 87 | V | A | 1.3397 | |
| 88 | G | A | 0.1747 | |
| 89 | S | A | -0.2256 | |
| 90 | P | A | -0.7237 | |
| 91 | G | A | -0.4734 | |
| 92 | P | A | 0.2080 | |
| 93 | L | A | 1.3174 | |
| 94 | A | A | 1.1108 | |
| 95 | P | A | 1.0378 | |
| 96 | I | A | 1.7221 | |
| 97 | P | A | 0.5181 | |
| 98 | P | A | 0.3931 | |
| 99 | T | A | 0.9499 | |
| 100 | L | A | 2.1746 | |
| 101 | L | A | 2.1768 | |
| 102 | T | A | 0.7665 | |
| 103 | P | A | -0.1871 | |
| 104 | G | A | -0.3097 | |
| 105 | T | A | 0.7592 | |
| 106 | L | A | 2.0595 | |
| 107 | L | A | 1.8017 | |
| 108 | G | A | -0.1166 | |
| 109 | P | A | -1.6116 | |
| 110 | K | A | -3.0007 | |
| 111 | R | A | -3.4012 | |
| 112 | E | A | -2.7870 | |
| 113 | V | A | -0.5471 | |
| 114 | D | A | -1.4889 | |
| 115 | M | A | -0.1386 | |
| 116 | H | A | -0.7261 | |
| 117 | P | A | -0.4091 | |
| 118 | P | A | 0.0128 | |
| 119 | L | A | 0.9925 | |
| 120 | P | A | 0.2260 | |
| 121 | Q | A | -0.0680 | |
| 122 | P | A | 0.0216 | |
| 123 | V | A | -0.3116 | |
| 124 | H | A | -1.2203 | |
| 125 | P | A | -1.4650 | |
| 126 | D | A | -2.1180 | |
| 127 | V | A | 0.0000 | |
| 128 | T | A | -1.3945 | |
| 129 | M | A | 0.0000 | |
| 130 | K | A | -1.2518 | |
| 131 | P | A | -0.7904 | |
| 132 | L | A | -0.3951 | |
| 133 | P | A | -0.6505 | |
| 134 | F | A | 0.0000 | |
| 135 | Y | A | -0.1070 | |
| 136 | E | A | -0.2420 | |
| 137 | V | A | 1.1915 | |
| 138 | Y | A | 0.8902 | |
| 139 | G | A | -0.1949 | |
| 140 | E | A | -1.3264 | |
| 141 | L | A | -0.7604 | |
| 142 | I | A | -0.9496 | |
| 143 | R | A | -2.0231 | |
| 144 | P | A | 0.0000 | |
| 145 | T | A | 0.0000 | |
| 146 | T | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | A | A | -0.6145 | |
| 149 | S | A | -1.1016 | |
| 150 | T | A | -0.6985 | |
| 151 | S | A | -0.9602 | |
| 152 | S | A | -1.0890 | |
| 153 | Q | A | -1.7900 | |
| 154 | R | A | -2.0444 | |
| 155 | F | A | -0.7129 | |
| 156 | E | A | 0.0000 | |
| 157 | E | A | -1.7134 | |
| 158 | A | A | 0.0000 | |
| 159 | H | A | -1.5260 | |
| 160 | F | A | 0.0000 | |
| 161 | T | A | -0.2565 | |
| 162 | F | A | 0.0000 | |
| 163 | A | A | 0.0082 | |
| 164 | L | A | 0.0000 | |
| 165 | T | A | -0.7764 | |
| 166 | P | A | -1.1873 | |
| 167 | Q | A | -1.8199 | |
| 168 | Q | A | -1.0381 | |
| 169 | L | A | -0.9096 | |
| 170 | Q | A | -1.5581 | |
| 171 | Q | A | -1.2698 | |
| 172 | I | A | 0.0000 | |
| 173 | L | A | -0.2430 | |
| 174 | T | A | -0.6983 | |
| 175 | S | A | 0.0000 | |
| 176 | R | A | -1.1971 | |
| 177 | E | A | -0.9133 | |
| 178 | V | A | 1.0858 | |
| 179 | L | A | 1.1762 | |
| 180 | P | A | 0.2975 | |
| 181 | G | A | -0.2734 | |
| 182 | A | A | -0.4361 | |
| 183 | K | A | -1.3450 | |
| 184 | C | A | -0.4973 | |
| 185 | D | A | -0.8169 | |
| 186 | Y | A | -0.9602 | |
| 187 | T | A | -0.9899 | |
| 188 | I | A | 0.0000 | |
| 189 | Q | A | 0.0000 | |
| 190 | V | A | 0.0000 | |
| 191 | Q | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | R | A | 0.0000 | |
| 194 | F | A | 0.0000 | |
| 195 | C | A | 0.0000 | |
| 196 | L | A | -0.9591 | |
| 197 | C | A | -1.3950 | |
| 198 | E | A | -1.9377 | |
| 199 | T | A | -1.2216 | |
| 200 | S | A | -0.5794 | |
| 201 | C | A | -0.3596 | |
| 202 | P | A | -1.0180 | |
| 203 | Q | A | 0.0000 | |
| 204 | E | A | -2.0056 | |
| 205 | D | A | -1.1588 | |
| 206 | Y | A | -0.0807 | |
| 207 | F | A | 0.0000 | |
| 208 | P | A | 0.0000 | |
| 209 | P | A | -0.9456 | |
| 210 | N | A | -1.1128 | |
| 211 | L | A | 0.0000 | |
| 212 | F | A | 0.5193 | |
| 213 | V | A | 0.0000 | |
| 214 | K | A | -0.6439 | |
| 215 | V | A | 0.0000 | |
| 216 | N | A | -0.9659 | |
| 217 | G | A | -1.1333 | |
| 218 | K | A | -1.4122 | |
| 219 | L | A | 0.4661 | |
| 220 | C | A | 0.0000 | |
| 221 | P | A | -0.0232 | |
| 222 | L | A | 0.2391 | |
| 223 | P | A | -0.3262 | |
| 224 | G | A | -0.1012 | |
| 225 | Y | A | 0.3039 | |
| 226 | L | A | -0.0355 | |
| 227 | P | A | -0.7172 | |
| 228 | P | A | -1.8233 | |
| 229 | T | A | -1.7649 | |
| 230 | K | A | -2.8402 | |
| 231 | N | A | -2.6321 | |
| 232 | G | A | -2.0556 | |
| 233 | A | A | -2.4464 | |
| 234 | E | A | -2.8262 | |
| 235 | P | A | -1.9636 | |
| 236 | K | A | -2.2157 | |
| 237 | R | A | -1.0945 | |
| 238 | P | A | -0.5668 | |
| 239 | S | A | -0.9522 | |
| 240 | R | A | -1.3360 | |
| 241 | P | A | -0.7161 | |
| 242 | I | A | 0.0000 | |
| 243 | N | A | -0.5022 | |
| 244 | I | A | 0.0000 | |
| 245 | T | A | 0.0000 | |
| 246 | P | A | -0.3364 | |
| 247 | L | A | -0.4423 | |
| 248 | A | A | -0.6280 | |
| 249 | R | A | -0.8042 | |
| 250 | L | A | -0.0764 | |
| 251 | S | A | -0.2303 | |
| 252 | A | A | -0.3372 | |
| 253 | T | A | 0.0506 | |
| 254 | V | A | 0.2919 | |
| 255 | P | A | -0.1184 | |
| 256 | N | A | 0.0000 | |
| 257 | T | A | -0.6881 | |
| 258 | I | A | 0.0000 | |
| 259 | V | A | -0.8161 | |
| 260 | V | A | 0.0000 | |
| 261 | N | A | -0.7062 | |
| 262 | W | A | 0.0000 | |
| 263 | S | A | 0.0000 | |
| 264 | S | A | -1.7344 | |
| 265 | E | A | -1.7389 | |
| 266 | F | A | 0.1954 | |
| 267 | G | A | -0.9569 | |
| 268 | R | A | -2.3326 | |
| 269 | N | A | -2.1948 | |
| 270 | Y | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | L | A | 0.0000 | |
| 273 | S | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | Y | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | V | A | 0.0000 | |
| 278 | R | A | -0.7486 | |
| 279 | Q | A | -0.8007 | |
| 280 | L | A | 0.0000 | |
| 281 | T | A | -0.6165 | |
| 282 | A | A | 0.0000 | |
| 283 | G | A | -1.0174 | |
| 284 | T | A | -0.8823 | |
| 285 | L | A | 0.0000 | |
| 286 | L | A | -1.2162 | |
| 287 | Q | A | -2.2532 | |
| 288 | K | A | -2.2122 | |
| 289 | L | A | 0.0000 | |
| 290 | R | A | -2.0946 | |
| 291 | A | A | -1.7610 | |
| 292 | K | A | -2.2064 | |
| 293 | G | A | -1.2946 | |
| 294 | I | A | -0.3376 | |
| 295 | R | A | -1.7804 | |
| 296 | N | A | -2.2115 | |
| 297 | P | A | -2.1302 | |
| 298 | D | A | -2.6533 | |
| 299 | H | A | -2.5383 | |
| 300 | S | A | 0.0000 | |
| 301 | R | A | -3.0486 | |
| 302 | A | A | -2.2826 | |
| 303 | L | A | -1.9588 | |
| 304 | I | A | 0.0000 | |
| 305 | K | A | -3.9863 | |
| 306 | E | A | -3.4118 | |
| 307 | K | A | -3.0011 | |
| 308 | L | A | 0.0000 | |
| 309 | T | A | -2.2585 | |
| 310 | A | A | -1.9749 | |
| 311 | D | A | -2.6403 | |
| 312 | P | A | -2.1005 | |
| 313 | D | A | -2.7041 | |
| 314 | S | A | -1.9127 | |
| 315 | E | A | -1.7165 | |
| 316 | V | A | 0.3569 | |
| 317 | A | A | -0.3530 | |
| 318 | T | A | -0.2592 | |
| 319 | T | A | -0.3290 | |
| 320 | S | A | -1.3540 | |
| 321 | L | A | -1.3939 | |
| 322 | R | A | -1.9130 | |
| 323 | V | A | 0.0000 | |
| 324 | S | A | -1.1794 | |
| 325 | L | A | 0.0000 | |
| 326 | M | A | -0.7840 | |
| 327 | C | A | 0.0000 | |
| 328 | P | A | -0.2346 | |
| 329 | L | A | 0.1208 | |
| 330 | G | A | -0.5944 | |
| 331 | K | A | -1.4460 | |
| 332 | M | A | -0.6109 | |
| 333 | R | A | -0.7600 | |
| 334 | L | A | 0.0000 | |
| 335 | T | A | -0.1009 | |
| 336 | V | A | 0.0000 | |
| 337 | P | A | 0.0000 | |
| 338 | C | A | 0.0000 | |
| 339 | R | A | 0.0000 | |
| 340 | A | A | 0.0000 | |
| 341 | L | A | 1.3418 | |
| 342 | T | A | 0.1327 | |
| 343 | C | A | 0.0000 | |
| 344 | A | A | 0.0214 | |
| 345 | H | A | 0.0839 | |
| 346 | L | A | 0.0000 | |
| 347 | Q | A | -0.2570 | |
| 348 | S | A | 0.0000 | |
| 349 | F | A | 0.0000 | |
| 350 | D | A | 0.0000 | |
| 351 | A | A | 0.0000 | |
| 352 | A | A | -0.1940 | |
| 353 | L | A | 0.0792 | |
| 354 | Y | A | 0.0000 | |
| 355 | L | A | 0.0000 | |
| 356 | Q | A | -1.4489 | |
| 357 | M | A | -0.8103 | |
| 358 | N | A | 0.0000 | |
| 359 | E | A | -1.9910 | |
| 360 | K | A | -2.7654 | |
| 361 | K | A | -2.6390 | |
| 362 | P | A | -1.5051 | |
| 363 | T | A | -0.9194 | |
| 364 | W | A | -1.0412 | |
| 365 | T | A | -1.6109 | |
| 366 | C | A | 0.0000 | |
| 367 | P | A | -0.5270 | |
| 368 | V | A | 0.0393 | |
| 369 | C | A | -0.9367 | |
| 370 | D | A | -2.6411 | |
| 371 | K | A | -3.1541 | |
| 372 | K | A | -2.8803 | |
| 373 | A | A | 0.0000 | |
| 374 | P | A | -1.0340 | |
| 375 | Y | A | -0.9021 | |
| 376 | E | A | -1.5935 | |
| 377 | S | A | -0.5679 | |
| 378 | L | A | 0.0000 | |
| 379 | I | A | -0.2122 | |
| 380 | I | A | 0.0000 | |
| 381 | D | A | 0.0000 | |
| 382 | G | A | 0.0000 | |
| 383 | L | A | 0.0000 | |
| 384 | F | A | 0.0000 | |
| 385 | M | A | -0.9515 | |
| 386 | E | A | -2.1324 | |
| 387 | I | A | 0.0000 | |
| 388 | L | A | -1.3743 | |
| 389 | N | A | -1.8494 | |
| 390 | S | A | -1.4040 | |
| 391 | C | A | -1.3643 | |
| 392 | S | A | -1.5954 | |
| 393 | D | A | -2.4738 | |
| 394 | C | A | 0.0000 | |
| 395 | D | A | -2.4740 | |
| 396 | E | A | -2.1349 | |
| 397 | I | A | 0.0000 | |
| 398 | Q | A | -1.0376 | |
| 399 | F | A | 0.0000 | |
| 400 | M | A | -1.6699 | |
| 401 | E | A | -3.5353 | |
| 402 | D | A | -3.0907 | |
| 403 | G | A | -2.3507 | |
| 404 | S | A | -0.9762 | |
| 405 | W | A | -0.2952 | |
| 406 | C | A | -0.0909 | |
| 407 | P | A | -1.1995 | |
| 408 | M | A | -1.6726 | |
| 409 | K | A | -2.9043 | |
| 410 | P | A | -2.8493 | |
| 411 | K | A | -3.6063 | |
| 412 | K | A | -3.7502 | |
| 413 | E | A | -3.4944 | |
| 414 | A | A | -2.0436 | |
| 415 | S | A | -1.2498 | |
| 416 | E | A | -1.1305 | |
| 417 | V | A | 1.0985 | |
| 418 | C | A | 0.8134 | |
| 419 | P | A | 0.0793 | |
| 420 | P | A | -0.2243 | |
| 421 | P | A | -0.3074 | |
| 422 | G | A | -0.1485 | |
| 423 | Y | A | 1.1409 | |
| 424 | G | A | 0.4222 | |
| 425 | L | A | 0.6581 | |
| 426 | D | A | -1.0286 | |
| 427 | G | A | -0.5256 | |
| 428 | L | A | 0.5375 | |
| 429 | Q | A | 0.1444 | |
| 430 | Y | A | 0.9709 | |
| 431 | S | A | 0.6697 | |
| 432 | A | A | 0.8397 | |
| 433 | V | A | 0.8226 | |
| 434 | Q | A | -1.3056 | |
| 435 | E | A | -1.8217 | |
| 436 | G | A | -0.9190 | |
| 437 | I | A | 0.6999 | |
| 438 | Q | A | -0.8725 | |
| 439 | P | A | -1.6017 | |
| 440 | E | A | -2.6527 | |
| 441 | S | A | -2.5482 | |
| 442 | K | A | -3.3630 | |
| 443 | K | A | -3.2487 | |
| 444 | R | A | -2.5628 | |
| 445 | V | A | 0.0190 | |
| 446 | E | A | -0.4687 | |
| 447 | V | A | 1.7956 | |
| 448 | I | A | 2.1270 | |
| 449 | D | A | 0.5574 | |
| 450 | L | A | 1.6546 | |
| 451 | T | A | 0.9182 | |
| 452 | I | A | 1.1158 | |
| 453 | E | A | -0.8064 | |
| 454 | S | A | -0.8342 | |
| 455 | S | A | -1.2522 | |
| 456 | S | A | -1.7942 | |
| 457 | D | A | -3.2762 | |
| 458 | E | A | -3.9747 | |
| 459 | E | A | -3.6593 | |
| 460 | D | A | -2.3640 | |
| 461 | L | A | 0.1008 | |
| 462 | P | A | -0.0209 | |
| 463 | P | A | -0.4276 | |
| 464 | T | A | -1.5634 | |
| 465 | K | A | -2.9258 | |
| 466 | K | A | -2.9327 | |
| 467 | H | A | -1.9511 | |
| 468 | C | A | 0.1104 | |
| 469 | P | A | 0.7011 | |
| 470 | V | A | 1.7043 | |
| 471 | T | A | 0.7853 | |
| 472 | S | A | 0.2088 | |
| 473 | A | A | 0.5725 | |
| 474 | A | A | 0.9599 | |
| 475 | I | A | 1.9420 | |
| 476 | P | A | 1.0801 | |
| 477 | A | A | 1.1190 | |
| 478 | L | A | 1.2655 | |
| 479 | P | A | 0.3933 | |
| 480 | G | A | -0.6722 | |
| 481 | S | A | -1.4019 | |
| 482 | K | A | -2.1108 | |
| 483 | G | A | -1.0963 | |
| 484 | A | A | 0.1272 | |
| 485 | L | A | 1.3545 | |
| 486 | T | A | 0.5562 | |
| 487 | S | A | -0.4164 | |
| 488 | G | A | -1.3192 | |
| 489 | H | A | -1.9711 | |
| 490 | Q | A | -2.0359 | |
| 491 | P | A | -1.1825 | |
| 492 | S | A | -0.3344 | |
| 493 | S | A | 0.8473 | |
| 494 | V | A | 1.9358 | |
| 495 | L | A | 1.4389 | |
| 496 | R | A | -0.8479 | |
| 497 | S | A | -0.7288 | |
| 498 | P | A | -0.6276 | |
| 499 | A | A | 0.0968 | |
| 500 | M | A | 0.9533 | |
| 501 | G | A | 0.3357 | |
| 502 | T | A | 0.5832 | |
| 503 | L | A | 1.0060 | |
| 504 | G | A | 0.0730 | |
| 505 | S | A | -0.3984 | |
| 506 | D | A | -0.4417 | |
| 507 | F | A | 1.6178 | |
| 508 | L | A | 1.8753 | |
| 509 | S | A | 1.0888 | |
| 510 | S | A | 0.6827 | |
| 511 | L | A | 1.5809 | |
| 512 | P | A | 1.0518 | |
| 513 | L | A | 0.9246 | |
| 514 | H | A | -0.8833 | |
| 515 | E | A | -1.3497 | |
| 516 | Y | A | 0.2035 | |
| 517 | P | A | -0.1745 | |
| 518 | P | A | 0.1246 | |
| 519 | A | A | 1.0906 | |
| 520 | F | A | 2.1105 | |
| 521 | P | A | 1.2911 | |
| 522 | L | A | 1.4638 | |
| 523 | G | A | 0.2234 | |
| 524 | A | A | -0.4474 | |
| 525 | D | A | -1.1174 | |
| 526 | I | A | 0.6914 | |
| 527 | Q | A | -0.7649 | |
| 528 | G | A | -0.2436 | |
| 529 | L | A | 1.2825 | |
| 530 | D | A | 0.2154 | |
| 531 | L | A | 2.6510 | |
| 532 | F | A | 2.9901 | |
| 533 | S | A | 1.8454 | |
| 534 | F | A | 3.0036 | |
| 535 | L | A | 2.2968 | |
| 536 | Q | A | -0.2877 | |
| 537 | T | A | -0.7144 | |
| 538 | E | A | -2.4489 | |
| 539 | S | A | -1.8644 | |
| 540 | Q | A | -2.0864 | |
| 541 | H | A | -1.2086 | |
| 542 | Y | A | 0.2046 | |
| 543 | G | A | -0.0505 | |
| 544 | P | A | 0.3377 | |
| 545 | S | A | 0.8477 | |
| 546 | V | A | 2.5396 | |
| 547 | I | A | 2.7300 | |
| 548 | T | A | 1.4900 | |
| 549 | S | A | 0.5446 | |
| 550 | L | A | 0.1822 | |
| 551 | D | A | -2.3239 | |
| 552 | E | A | -3.3700 | |
| 553 | Q | A | -3.3743 | |
| 554 | D | A | -2.4677 | |
| 555 | T | A | -0.6074 | |
| 556 | L | A | 0.6540 | |
| 557 | G | A | 0.1681 | |
| 558 | H | A | 0.3942 | |
| 559 | F | A | 2.1321 | |
| 560 | F | A | 2.2090 | |
| 561 | Q | A | 0.1682 | |
| 562 | Y | A | 0.4146 | |
| 563 | R | A | -1.5421 | |
| 564 | G | A | -1.2746 | |
| 565 | T | A | -0.7652 | |
| 566 | P | A | -0.7289 | |
| 567 | S | A | -0.2797 | |
| 568 | H | A | 0.1045 | |
| 569 | F | A | 2.0636 | |
| 570 | L | A | 1.9763 | |
| 571 | G | A | 0.9184 | |
| 572 | P | A | 0.6609 | |
| 573 | L | A | 1.3063 | |
| 574 | A | A | 0.6162 | |
| 575 | P | A | 0.3594 | |
| 576 | T | A | 0.4630 | |
| 577 | L | A | 1.1922 | |
| 578 | G | A | 0.1186 | |
| 579 | S | A | -0.4096 | |
| 580 | S | A | -1.2850 | |
| 581 | H | A | -2.0634 | |
| 582 | R | A | -2.5029 | |
| 583 | S | A | -1.4473 | |
| 584 | S | A | -0.7525 | |
| 585 | T | A | -0.3364 | |
| 586 | P | A | -0.3546 | |
| 587 | A | A | -0.2388 | |
| 588 | P | A | -0.3077 | |
| 589 | P | A | -0.6434 | |
| 590 | P | A | -1.0899 | |
| 591 | G | A | -1.1571 | |
| 592 | R | A | -1.2050 | |
| 593 | V | A | 0.5583 | |
| 594 | S | A | 0.5516 | |
| 595 | S | A | 1.2939 | |
| 596 | I | A | 2.7226 | |
| 597 | V | A | 2.6675 | |
| 598 | A | A | 1.0268 | |
| 599 | P | A | -0.1243 | |
| 600 | G | A | -0.7148 | |
| 601 | S | A | -0.2893 | |
| 602 | S | A | -0.0356 | |
| 603 | L | A | 0.1109 | |
| 604 | R | A | -2.0680 | |
| 605 | E | A | -2.7965 | |
| 606 | G | A | -2.2685 | |
| 607 | H | A | -1.9207 | |
| 608 | G | A | -1.3804 | |
| 609 | G | A | -0.7372 | |
| 610 | P | A | 0.1257 | |
| 611 | L | A | 1.1516 | |
| 612 | P | A | 0.3606 | |
| 613 | S | A | -0.2582 | |
| 614 | G | A | -0.7722 | |
| 615 | P | A | -0.3012 | |
| 616 | S | A | 0.3742 | |
| 617 | L | A | 1.2464 | |
| 618 | T | A | 0.5010 | |
| 619 | G | A | -0.2439 | |
| 620 | C | A | -0.5882 | |
| 621 | R | A | -2.0180 | |
| 622 | S | A | -1.4877 | |
| 623 | D | A | -1.0092 | |
| 624 | V | A | 1.7915 | |
| 625 | I | A | 2.7287 | |
| 626 | S | A | 1.5275 | |
| 627 | L | A | 1.0436 | |
| 628 | D | A | -1.0891 |
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 | -0.0609 | 6.3632 | View | CSV | PDB |
| 4.5 | -0.1239 | 6.2824 | View | CSV | PDB |
| 5.0 | -0.1999 | 6.2824 | View | CSV | PDB |
| 5.5 | -0.2725 | 6.2824 | View | CSV | PDB |
| 6.0 | -0.3265 | 6.2824 | View | CSV | PDB |
| 6.5 | -0.353 | 6.2824 | View | CSV | PDB |
| 7.0 | -0.3537 | 6.2824 | View | CSV | PDB |
| 7.5 | -0.3375 | 6.2824 | View | CSV | PDB |
| 8.0 | -0.3126 | 6.2824 | View | CSV | PDB |
| 8.5 | -0.2811 | 6.2824 | View | CSV | PDB |
| 9.0 | -0.2418 | 6.2824 | 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