| Chain sequence(s) | MFSWVSKDARRKKEPELFQTVAEGLRQLYAQKLLPLEEHYRFHEFHSPALEDADFDNKPMVLLVGQYSTGKTTFIRHLIEQDFPGMRIGPEPTTDSFIAVMHGPTEGVVPGNALVVDPRRPFRKLNAFGNAFLNRFMCAQLPNPVLDSISIIDTPGILSGEKQRISRGYDFAAVLEWFAERVDRIILLFDAHKLDISDEFSEVIKALKNHEDKIRVVLNKADQIETQQLMRVYGALMWSLGKIINTPEVVRVYIGSFWSHPLLIPDNRKLFEAEEQDLFKDIQSLPRNAALRKLNDLIKRARLAKVHAYIISSLKKEMPNVFGKESKKKELVNNLGEIYQKIEREHQISSGDFPSLRKMQELLQTQDFSKFQALKPKLLDTVDDMLANDIARLMVMVRQEESLMPSQAVKGGAFDGTMNGPFGHGYGEGAGEGIDDVEWVVGKDKPTYDEIFYTLSPVNGKITGANAKKEMVKSKLPNTVLGKIWKLADVDKDGLLDDEEFALANHLIKVKLEGHELPADLPPHLIPPSKRRHE 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 (00:27:38)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/98ed617165735a/tmp/folded.pdb (00:27:38)
[INFO] Main: Simulation completed successfully. (00:32:47)
|
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 | 1.9597 | |
| 2 | F | A | 2.8456 | |
| 3 | S | A | 2.0790 | |
| 4 | W | A | 2.0922 | |
| 5 | V | A | 1.6932 | |
| 6 | S | A | -0.3958 | |
| 7 | K | A | -2.3129 | |
| 8 | D | A | -3.1403 | |
| 9 | A | A | -3.1105 | |
| 10 | R | A | -4.1007 | |
| 11 | R | A | -4.5997 | |
| 12 | K | A | -4.3907 | |
| 13 | K | A | -4.6064 | |
| 14 | E | A | -3.7473 | |
| 15 | P | A | -2.4086 | |
| 16 | E | A | -2.2096 | |
| 17 | L | A | -0.0131 | |
| 18 | F | A | -0.3050 | |
| 19 | Q | A | -1.0131 | |
| 20 | T | A | -0.6873 | |
| 21 | V | A | 0.0000 | |
| 22 | A | A | -1.2932 | |
| 23 | E | A | -1.3137 | |
| 24 | G | A | 0.0000 | |
| 25 | L | A | 0.0000 | |
| 26 | R | A | -1.8331 | |
| 27 | Q | A | -1.6504 | |
| 28 | L | A | 0.0000 | |
| 29 | Y | A | 0.0000 | |
| 30 | A | A | -1.1314 | |
| 31 | Q | A | -1.4778 | |
| 32 | K | A | -1.1964 | |
| 33 | L | A | 0.0000 | |
| 34 | L | A | -0.5255 | |
| 35 | P | A | -0.9074 | |
| 36 | L | A | 0.0000 | |
| 37 | E | A | 0.0000 | |
| 38 | E | A | -2.1840 | |
| 39 | H | A | -1.3214 | |
| 40 | Y | A | 0.0000 | |
| 41 | R | A | -1.7912 | |
| 42 | F | A | 0.0000 | |
| 43 | H | A | -1.4892 | |
| 44 | E | A | -1.2154 | |
| 45 | F | A | 0.0000 | |
| 46 | H | A | -0.6099 | |
| 47 | S | A | -0.6874 | |
| 48 | P | A | -0.7649 | |
| 49 | A | A | -0.8199 | |
| 50 | L | A | -1.0042 | |
| 51 | E | A | -2.9456 | |
| 52 | D | A | -2.9529 | |
| 53 | A | A | 0.0000 | |
| 54 | D | A | -2.0657 | |
| 55 | F | A | 0.0000 | |
| 56 | D | A | -2.9815 | |
| 57 | N | A | -1.8970 | |
| 58 | K | A | -1.4518 | |
| 59 | P | A | 0.0000 | |
| 60 | M | A | 0.0000 | |
| 61 | V | A | 0.0000 | |
| 62 | L | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | V | A | 0.0000 | |
| 65 | G | A | 0.0000 | |
| 66 | Q | A | -0.3490 | |
| 67 | Y | A | -0.1889 | |
| 68 | S | A | -0.4003 | |
| 69 | T | A | 0.0000 | |
| 70 | G | A | 0.0000 | |
| 71 | K | A | 0.0000 | |
| 72 | T | A | 0.0000 | |
| 73 | T | A | -0.5197 | |
| 74 | F | A | 0.0000 | |
| 75 | I | A | 0.0000 | |
| 76 | R | A | -2.0127 | |
| 77 | H | A | -1.6151 | |
| 78 | L | A | 0.0000 | |
| 79 | I | A | 0.0000 | |
| 80 | E | A | -2.9379 | |
| 81 | Q | A | -2.9369 | |
| 82 | D | A | -2.8952 | |
| 83 | F | A | 0.0000 | |
| 84 | P | A | -0.7550 | |
| 85 | G | A | -0.3026 | |
| 86 | M | A | -0.5521 | |
| 87 | R | A | -0.6535 | |
| 88 | I | A | 0.3600 | |
| 89 | G | A | -0.5047 | |
| 90 | P | A | -0.9786 | |
| 91 | E | A | -1.9080 | |
| 92 | P | A | -1.3156 | |
| 93 | T | A | -0.9701 | |
| 94 | T | A | -0.9156 | |
| 95 | D | A | -1.4573 | |
| 96 | S | A | -1.0352 | |
| 97 | F | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | A | A | 0.0000 | |
| 100 | V | A | 0.0000 | |
| 101 | M | A | 0.0000 | |
| 102 | H | A | -1.3507 | |
| 103 | G | A | 0.0000 | |
| 104 | P | A | -0.8728 | |
| 105 | T | A | -1.1551 | |
| 106 | E | A | -1.9298 | |
| 107 | G | A | -0.5570 | |
| 108 | V | A | 0.8840 | |
| 109 | V | A | 0.7775 | |
| 110 | P | A | -0.2881 | |
| 111 | G | A | 0.0000 | |
| 112 | N | A | -1.7013 | |
| 113 | A | A | -0.1057 | |
| 114 | L | A | 0.0000 | |
| 115 | V | A | 0.0000 | |
| 116 | V | A | 0.3729 | |
| 117 | D | A | -0.7192 | |
| 118 | P | A | -1.6559 | |
| 119 | R | A | -2.8557 | |
| 120 | R | A | -2.1337 | |
| 121 | P | A | 0.0000 | |
| 122 | F | A | 0.0000 | |
| 123 | R | A | -2.3246 | |
| 124 | K | A | -1.7948 | |
| 125 | L | A | 0.0000 | |
| 126 | N | A | -2.0026 | |
| 127 | A | A | -1.0191 | |
| 128 | F | A | -0.8570 | |
| 129 | G | A | -1.3415 | |
| 130 | N | A | -2.1997 | |
| 131 | A | A | -1.3121 | |
| 132 | F | A | 0.0000 | |
| 133 | L | A | 0.0000 | |
| 134 | N | A | -2.2150 | |
| 135 | R | A | -1.8970 | |
| 136 | F | A | 0.0000 | |
| 137 | M | A | -0.1315 | |
| 138 | C | A | 0.0000 | |
| 139 | A | A | 0.0000 | |
| 140 | Q | A | -0.6789 | |
| 141 | L | A | 0.0000 | |
| 142 | P | A | -1.1954 | |
| 143 | N | A | 0.0000 | |
| 144 | P | A | -1.3400 | |
| 145 | V | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | D | A | -2.3213 | |
| 148 | S | A | -1.4933 | |
| 149 | I | A | 0.0000 | |
| 150 | S | A | 0.0000 | |
| 151 | I | A | 0.0000 | |
| 152 | I | A | 0.0000 | |
| 153 | D | A | 0.0000 | |
| 154 | T | A | 0.0000 | |
| 155 | P | A | 0.0000 | |
| 156 | G | A | 0.0000 | |
| 157 | I | A | 0.0000 | |
| 158 | L | A | -1.2910 | |
| 159 | S | A | -1.8779 | |
| 160 | G | A | -2.6563 | |
| 161 | E | A | -3.6547 | |
| 162 | K | A | -3.2878 | |
| 163 | Q | A | -2.9057 | |
| 164 | R | A | -2.6588 | |
| 165 | I | A | -0.2576 | |
| 166 | S | A | -0.6229 | |
| 167 | R | A | -1.1372 | |
| 168 | G | A | -0.9192 | |
| 169 | Y | A | -1.2609 | |
| 170 | D | A | -1.8273 | |
| 171 | F | A | 0.0000 | |
| 172 | A | A | -1.2333 | |
| 173 | A | A | -0.8805 | |
| 174 | V | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | E | A | -1.6770 | |
| 177 | W | A | 0.0000 | |
| 178 | F | A | 0.0000 | |
| 179 | A | A | 0.0000 | |
| 180 | E | A | -1.1036 | |
| 181 | R | A | -0.6905 | |
| 182 | V | A | 0.0000 | |
| 183 | D | A | 0.0000 | |
| 184 | R | A | 0.0000 | |
| 185 | I | A | 0.0000 | |
| 186 | I | A | 0.0000 | |
| 187 | L | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | F | A | 0.0000 | |
| 190 | D | A | 0.0000 | |
| 191 | A | A | 0.0000 | |
| 192 | H | A | -2.1418 | |
| 193 | K | A | -2.5779 | |
| 194 | L | A | -1.5535 | |
| 195 | D | A | -2.3732 | |
| 196 | I | A | -1.1476 | |
| 197 | S | A | -1.7527 | |
| 198 | D | A | -2.7277 | |
| 199 | E | A | 0.0000 | |
| 200 | F | A | 0.0000 | |
| 201 | S | A | -1.8065 | |
| 202 | E | A | -2.7573 | |
| 203 | V | A | 0.0000 | |
| 204 | I | A | 0.0000 | |
| 205 | K | A | -2.5585 | |
| 206 | A | A | -1.9295 | |
| 207 | L | A | 0.0000 | |
| 208 | K | A | -3.5887 | |
| 209 | N | A | -3.2036 | |
| 210 | H | A | -2.7106 | |
| 211 | E | A | -3.0250 | |
| 212 | D | A | -2.7207 | |
| 213 | K | A | 0.0000 | |
| 214 | I | A | 0.0000 | |
| 215 | R | A | -0.9614 | |
| 216 | V | A | 0.0000 | |
| 217 | V | A | 0.0000 | |
| 218 | L | A | 0.0000 | |
| 219 | N | A | 0.0000 | |
| 220 | K | A | -0.4688 | |
| 221 | A | A | 0.0000 | |
| 222 | D | A | 0.0000 | |
| 223 | Q | A | -0.5071 | |
| 224 | I | A | 0.0000 | |
| 225 | E | A | -2.4841 | |
| 226 | T | A | -2.0650 | |
| 227 | Q | A | -2.2077 | |
| 228 | Q | A | -2.2553 | |
| 229 | L | A | 0.0000 | |
| 230 | M | A | -0.7101 | |
| 231 | R | A | -1.8140 | |
| 232 | V | A | 0.0000 | |
| 233 | Y | A | 0.2866 | |
| 234 | G | A | -0.0051 | |
| 235 | A | A | -0.0011 | |
| 236 | L | A | 0.0000 | |
| 237 | M | A | 0.7413 | |
| 238 | W | A | 0.7572 | |
| 239 | S | A | -0.1241 | |
| 240 | L | A | 0.0000 | |
| 241 | G | A | -1.0145 | |
| 242 | K | A | -1.8495 | |
| 243 | I | A | -1.5214 | |
| 244 | I | A | -1.6923 | |
| 245 | N | A | -2.4102 | |
| 246 | T | A | -1.5648 | |
| 247 | P | A | -1.0151 | |
| 248 | E | A | -1.4179 | |
| 249 | V | A | 0.7284 | |
| 250 | V | A | -0.2138 | |
| 251 | R | A | -0.5099 | |
| 252 | V | A | 0.0000 | |
| 253 | Y | A | 0.0000 | |
| 254 | I | A | 0.0000 | |
| 255 | G | A | 0.0000 | |
| 256 | S | A | -0.4300 | |
| 257 | F | A | 0.0000 | |
| 258 | W | A | -0.5766 | |
| 259 | S | A | -0.9954 | |
| 260 | H | A | -0.8683 | |
| 261 | P | A | -0.1842 | |
| 262 | L | A | 0.1223 | |
| 263 | L | A | 1.0956 | |
| 264 | I | A | -0.2045 | |
| 265 | P | A | -1.4239 | |
| 266 | D | A | -2.5986 | |
| 267 | N | A | 0.0000 | |
| 268 | R | A | -3.0859 | |
| 269 | K | A | -3.0715 | |
| 270 | L | A | -1.5265 | |
| 271 | F | A | 0.0000 | |
| 272 | E | A | -2.0408 | |
| 273 | A | A | -1.5138 | |
| 274 | E | A | -1.2875 | |
| 275 | E | A | -1.3734 | |
| 276 | Q | A | -1.3851 | |
| 277 | D | A | -1.4664 | |
| 278 | L | A | 0.0000 | |
| 279 | F | A | 0.0000 | |
| 280 | K | A | -1.9603 | |
| 281 | D | A | -1.2992 | |
| 282 | I | A | 0.0000 | |
| 283 | Q | A | 0.0000 | |
| 284 | S | A | -1.1206 | |
| 285 | L | A | 0.0000 | |
| 286 | P | A | -0.7505 | |
| 287 | R | A | -1.0715 | |
| 288 | N | A | -0.9918 | |
| 289 | A | A | -0.6643 | |
| 290 | A | A | -0.7312 | |
| 291 | L | A | -0.5398 | |
| 292 | R | A | -0.6965 | |
| 293 | K | A | -1.0862 | |
| 294 | L | A | 0.0000 | |
| 295 | N | A | -1.1825 | |
| 296 | D | A | -1.5184 | |
| 297 | L | A | 0.0000 | |
| 298 | I | A | -1.0107 | |
| 299 | K | A | -2.2986 | |
| 300 | R | A | 0.0000 | |
| 301 | A | A | 0.0000 | |
| 302 | R | A | -1.4720 | |
| 303 | L | A | -0.6902 | |
| 304 | A | A | 0.0000 | |
| 305 | K | A | -0.6853 | |
| 306 | V | A | 0.0000 | |
| 307 | H | A | 0.0000 | |
| 308 | A | A | 0.0000 | |
| 309 | Y | A | -0.0723 | |
| 310 | I | A | 0.0000 | |
| 311 | I | A | 0.0000 | |
| 312 | S | A | 0.0000 | |
| 313 | S | A | -1.1925 | |
| 314 | L | A | 0.0000 | |
| 315 | K | A | -2.1651 | |
| 316 | K | A | -2.5900 | |
| 317 | E | A | -2.3086 | |
| 318 | M | A | -1.5767 | |
| 319 | P | A | -0.7676 | |
| 320 | N | A | -0.4910 | |
| 321 | V | A | 1.9285 | |
| 322 | F | A | 1.9162 | |
| 323 | G | A | -0.0473 | |
| 324 | K | A | -1.8857 | |
| 325 | E | A | -3.0595 | |
| 326 | S | A | -2.3835 | |
| 327 | K | A | -2.6987 | |
| 328 | K | A | -3.5630 | |
| 329 | K | A | -4.1042 | |
| 330 | E | A | -3.8601 | |
| 331 | L | A | 0.0000 | |
| 332 | V | A | 0.0000 | |
| 333 | N | A | -3.4679 | |
| 334 | N | A | -2.6838 | |
| 335 | L | A | 0.0000 | |
| 336 | G | A | -1.9819 | |
| 337 | E | A | -2.9921 | |
| 338 | I | A | 0.0000 | |
| 339 | Y | A | 0.0000 | |
| 340 | Q | A | -3.2434 | |
| 341 | K | A | -3.9625 | |
| 342 | I | A | 0.0000 | |
| 343 | E | A | -3.3620 | |
| 344 | R | A | -4.1986 | |
| 345 | E | A | -3.9024 | |
| 346 | H | A | -2.7141 | |
| 347 | Q | A | -2.8972 | |
| 348 | I | A | -1.9746 | |
| 349 | S | A | -1.1607 | |
| 350 | S | A | -1.0876 | |
| 351 | G | A | -0.6872 | |
| 352 | D | A | -1.0244 | |
| 353 | F | A | -0.3436 | |
| 354 | P | A | -0.4439 | |
| 355 | S | A | -0.9314 | |
| 356 | L | A | -1.2537 | |
| 357 | R | A | -2.7868 | |
| 358 | K | A | -2.3678 | |
| 359 | M | A | 0.0000 | |
| 360 | Q | A | -2.5598 | |
| 361 | E | A | -2.9148 | |
| 362 | L | A | -1.4808 | |
| 363 | L | A | 0.0000 | |
| 364 | Q | A | -2.2576 | |
| 365 | T | A | -1.1479 | |
| 366 | Q | A | -1.6027 | |
| 367 | D | A | -2.4052 | |
| 368 | F | A | 0.0000 | |
| 369 | S | A | -1.9210 | |
| 370 | K | A | -2.4487 | |
| 371 | F | A | 0.0000 | |
| 372 | Q | A | -1.5208 | |
| 373 | A | A | -0.9790 | |
| 374 | L | A | -0.6648 | |
| 375 | K | A | -1.6419 | |
| 376 | P | A | -1.8288 | |
| 377 | K | A | -2.7216 | |
| 378 | L | A | -1.7740 | |
| 379 | L | A | 0.0000 | |
| 380 | D | A | -3.1216 | |
| 381 | T | A | -2.0453 | |
| 382 | V | A | 0.0000 | |
| 383 | D | A | -2.3812 | |
| 384 | D | A | -2.0037 | |
| 385 | M | A | 0.0000 | |
| 386 | L | A | -0.8625 | |
| 387 | A | A | -1.0345 | |
| 388 | N | A | -1.7118 | |
| 389 | D | A | 0.0000 | |
| 390 | I | A | 0.0000 | |
| 391 | A | A | -0.3105 | |
| 392 | R | A | -0.7925 | |
| 393 | L | A | 0.0000 | |
| 394 | M | A | 0.4521 | |
| 395 | V | A | 0.8891 | |
| 396 | M | A | -0.1955 | |
| 397 | V | A | 0.0000 | |
| 398 | R | A | -1.0638 | |
| 399 | Q | A | -1.1445 | |
| 400 | E | A | -0.8388 | |
| 401 | E | A | -0.8535 | |
| 402 | S | A | -0.4642 | |
| 403 | L | A | 0.8028 | |
| 404 | M | A | 0.0996 | |
| 405 | P | A | -0.2638 | |
| 406 | S | A | -0.8965 | |
| 407 | Q | A | -1.6751 | |
| 408 | A | A | -1.3738 | |
| 409 | V | A | 0.0000 | |
| 410 | K | A | -2.7061 | |
| 411 | G | A | 0.0000 | |
| 412 | G | A | -1.9983 | |
| 413 | A | A | -1.6763 | |
| 414 | F | A | 0.0000 | |
| 415 | D | A | -2.6806 | |
| 416 | G | A | -1.5172 | |
| 417 | T | A | -1.1812 | |
| 418 | M | A | -0.9664 | |
| 419 | N | A | -1.3697 | |
| 420 | G | A | -0.5485 | |
| 421 | P | A | 0.1485 | |
| 422 | F | A | 1.2628 | |
| 423 | G | A | -0.0237 | |
| 424 | H | A | -1.0581 | |
| 425 | G | A | -1.1439 | |
| 426 | Y | A | -0.4098 | |
| 427 | G | A | -1.1544 | |
| 428 | E | A | -1.8507 | |
| 429 | G | A | 0.0000 | |
| 430 | A | A | -1.1057 | |
| 431 | G | A | -1.0308 | |
| 432 | E | A | -1.6697 | |
| 433 | G | A | -1.2502 | |
| 434 | I | A | -0.6874 | |
| 435 | D | A | -1.7353 | |
| 436 | D | A | -1.3175 | |
| 437 | V | A | 0.1865 | |
| 438 | E | A | -1.6619 | |
| 439 | W | A | 0.0000 | |
| 440 | V | A | 0.0000 | |
| 441 | V | A | 0.0000 | |
| 442 | G | A | -1.9256 | |
| 443 | K | A | -2.6987 | |
| 444 | D | A | -2.2577 | |
| 445 | K | A | -1.9081 | |
| 446 | P | A | -1.6056 | |
| 447 | T | A | -1.4109 | |
| 448 | Y | A | 0.0000 | |
| 449 | D | A | -1.1170 | |
| 450 | E | A | -1.4481 | |
| 451 | I | A | -0.2319 | |
| 452 | F | A | 0.0000 | |
| 453 | Y | A | 0.8234 | |
| 454 | T | A | 0.2904 | |
| 455 | L | A | 0.0992 | |
| 456 | S | A | 0.4392 | |
| 457 | P | A | 0.4234 | |
| 458 | V | A | 1.0076 | |
| 459 | N | A | -0.7405 | |
| 460 | G | A | -0.5157 | |
| 461 | K | A | -0.2535 | |
| 462 | I | A | 0.0000 | |
| 463 | T | A | -0.2284 | |
| 464 | G | A | -0.7269 | |
| 465 | A | A | -1.0158 | |
| 466 | N | A | -1.4814 | |
| 467 | A | A | 0.0000 | |
| 468 | K | A | -1.9523 | |
| 469 | K | A | -2.3630 | |
| 470 | E | A | -1.6274 | |
| 471 | M | A | 0.0000 | |
| 472 | V | A | -0.8280 | |
| 473 | K | A | -2.0696 | |
| 474 | S | A | -1.1779 | |
| 475 | K | A | -1.7700 | |
| 476 | L | A | -0.8102 | |
| 477 | P | A | -0.8597 | |
| 478 | N | A | -1.4460 | |
| 479 | T | A | -0.7844 | |
| 480 | V | A | -0.8866 | |
| 481 | L | A | 0.0000 | |
| 482 | G | A | -1.2017 | |
| 483 | K | A | -1.5104 | |
| 484 | I | A | 0.0000 | |
| 485 | W | A | -1.1451 | |
| 486 | K | A | -2.4071 | |
| 487 | L | A | 0.0000 | |
| 488 | A | A | 0.0000 | |
| 489 | D | A | 0.0000 | |
| 490 | V | A | -1.2523 | |
| 491 | D | A | -2.2888 | |
| 492 | K | A | -3.0707 | |
| 493 | D | A | -2.5613 | |
| 494 | G | A | -1.6483 | |
| 495 | L | A | -0.7347 | |
| 496 | L | A | 0.0000 | |
| 497 | D | A | -0.6765 | |
| 498 | D | A | -0.9181 | |
| 499 | E | A | -0.6850 | |
| 500 | E | A | 0.0000 | |
| 501 | F | A | 0.0000 | |
| 502 | A | A | 0.0000 | |
| 503 | L | A | 0.0000 | |
| 504 | A | A | 0.0000 | |
| 505 | N | A | -0.7060 | |
| 506 | H | A | 0.0000 | |
| 507 | L | A | 0.0000 | |
| 508 | I | A | 0.0000 | |
| 509 | K | A | -1.3872 | |
| 510 | V | A | 0.0000 | |
| 511 | K | A | -1.5482 | |
| 512 | L | A | -0.8949 | |
| 513 | E | A | -2.3311 | |
| 514 | G | A | -1.8149 | |
| 515 | H | A | -2.2570 | |
| 516 | E | A | -2.2625 | |
| 517 | L | A | 0.0000 | |
| 518 | P | A | -1.1296 | |
| 519 | A | A | -1.1011 | |
| 520 | D | A | -2.0083 | |
| 521 | L | A | -0.8583 | |
| 522 | P | A | -0.3507 | |
| 523 | P | A | -0.3579 | |
| 524 | H | A | -0.5195 | |
| 525 | L | A | 0.0000 | |
| 526 | I | A | -0.1632 | |
| 527 | P | A | 0.0000 | |
| 528 | P | A | -1.1451 | |
| 529 | S | A | -0.9650 | |
| 530 | K | A | -1.3775 | |
| 531 | R | A | -2.2947 | |
| 532 | R | A | -3.2690 | |
| 533 | H | A | -3.0550 | |
| 534 | E | A | -2.9311 |
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 | -0.7944 | 5.3574 | View | CSV | PDB |
| 4.5 | -0.8723 | 5.3574 | View | CSV | PDB |
| 5.0 | -0.9665 | 5.3574 | View | CSV | PDB |
| 5.5 | -1.0593 | 5.3574 | View | CSV | PDB |
| 6.0 | -1.1319 | 5.3574 | View | CSV | PDB |
| 6.5 | -1.1705 | 5.3574 | View | CSV | PDB |
| 7.0 | -1.1748 | 5.3574 | View | CSV | PDB |
| 7.5 | -1.1557 | 5.3574 | View | CSV | PDB |
| 8.0 | -1.1234 | 5.3574 | View | CSV | PDB |
| 8.5 | -1.081 | 5.3574 | View | CSV | PDB |
| 9.0 | -1.0281 | 5.3574 | 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