| Chain sequence(s) | MWLLALCLVGLAGAQRGGGGPGGGAPGGPGLGLGSLGEERFPVVNTAYGRVRGVRRELNNEILGPVVQFLGVPYATPPLGARRFQPPEAPASWPGVRNATTLPPACPQNLHGALPAIMLPVWFTDNLEAAATYVQNQSEDCLYLNLYVPTEDGPLTKKRDEATLNPPDTDIRDSGKKPVMLFLHGGSYMEGTGNMFDGSVLAAYGNVIVVTLNYRLGVLGFLSTGDQAAKGNYGLLDQIQALRWLSENIAHFGGDPERITIFGSGAGASCVNLLILSHHSEGLFQKAIAQSGTAISSWSVNYQPLKYTRLLAAKVGCDREDSTEAVECLRRKSSRELVDQDVQPARYHIAFGPVVDGDVVPDDPEILMQQGEFLNYDMLIGVNQGEGLKFVEDSAESEDGVSASAFDFTVSNFVDNLYGYPEGKDVLRETIKFMYTDWADRDNGEMRRKTLLALFTDHQWVAPAVATAKLHADYQSPVYFYTFYHHCQAEGRPEWADAAHGDELPYVFGVPMVGATDLFPCNFSKNDVMLSAVVMTYWTNFAKTGDPNQPVPQDTKFIHTKPNRFEEVVWSKFNSKEKQYLHIGLKPRVRDNYRANKVAFWLELVPHLHNLHTELFTTTTRLPPYATRWPPRTPGPGTSGTRRPPPPATLPPESDIDLGPRAYDRFPGDSRDYSTELSVTVAVGASLLFLNILAFAALYYKRDRRQELRCRRLSPPGGSGSGVPGGGPLLPTAGRELPPEEELVSLQLKRGGGVGADPAEALRPACPPDYTLALRRAPDDVPLLAPGALTLLPSGLGPPPPPPPPSLHPFGPFPPPPPTATSHNNTLPHPHSTTRV 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] (00:00:00)
[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 partially or entirely disordered. Average 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 (00:09:38)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e24567ed1391ab/tmp/folded.pdb (00:09:38)
[INFO] Main: Simulation completed successfully. (00:22:18)
|
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 | 2.1229 | |
| 2 | W | A | 2.9092 | |
| 3 | L | A | 3.2608 | |
| 4 | L | A | 3.1202 | |
| 5 | A | A | 2.3094 | |
| 6 | L | A | 2.5879 | |
| 7 | C | A | 2.5746 | |
| 8 | L | A | 2.9723 | |
| 9 | V | A | 2.7437 | |
| 10 | G | A | 1.4340 | |
| 11 | L | A | 1.6252 | |
| 12 | A | A | 0.4486 | |
| 13 | G | A | -0.2948 | |
| 14 | A | A | -1.0929 | |
| 15 | Q | A | -2.3579 | |
| 16 | R | A | -2.8085 | |
| 17 | G | A | -1.9680 | |
| 18 | G | A | -1.4544 | |
| 19 | G | A | -1.0685 | |
| 20 | G | A | -1.0035 | |
| 21 | P | A | -0.8985 | |
| 22 | G | A | -1.0150 | |
| 23 | G | A | -0.9613 | |
| 24 | G | A | -0.8671 | |
| 25 | A | A | -0.5804 | |
| 26 | P | A | -0.6540 | |
| 27 | G | A | -0.9569 | |
| 28 | G | A | -0.7830 | |
| 29 | P | A | -0.4669 | |
| 30 | G | A | 0.0765 | |
| 31 | L | A | 1.2498 | |
| 32 | G | A | 0.8791 | |
| 33 | L | A | 1.6339 | |
| 34 | G | A | -0.0369 | |
| 35 | S | A | -0.4819 | |
| 36 | L | A | 0.1789 | |
| 37 | G | A | -1.0162 | |
| 38 | E | A | -2.4774 | |
| 39 | E | A | -2.4631 | |
| 40 | R | A | -2.1630 | |
| 41 | F | A | -0.8513 | |
| 42 | P | A | -0.8458 | |
| 43 | V | A | -0.7023 | |
| 44 | V | A | -0.6738 | |
| 45 | N | A | -1.6901 | |
| 46 | T | A | 0.0000 | |
| 47 | A | A | -0.7604 | |
| 48 | Y | A | -0.3445 | |
| 49 | G | A | -0.9936 | |
| 50 | R | A | -1.8663 | |
| 51 | V | A | 0.0000 | |
| 52 | R | A | -1.2859 | |
| 53 | G | A | 0.0000 | |
| 54 | V | A | -0.8732 | |
| 55 | R | A | -1.8680 | |
| 56 | R | A | -2.3417 | |
| 57 | E | A | -2.8879 | |
| 58 | L | A | -1.8140 | |
| 59 | N | A | -2.0327 | |
| 60 | N | A | -1.7158 | |
| 61 | E | A | -2.2526 | |
| 62 | I | A | -0.4422 | |
| 63 | L | A | 0.0000 | |
| 64 | G | A | 0.0000 | |
| 65 | P | A | -2.1128 | |
| 66 | V | A | 0.0000 | |
| 67 | V | A | 0.0000 | |
| 68 | Q | A | 0.0000 | |
| 69 | F | A | 0.0000 | |
| 70 | L | A | 0.0000 | |
| 71 | G | A | 0.0000 | |
| 72 | V | A | 0.0000 | |
| 73 | P | A | -0.1085 | |
| 74 | Y | A | 0.0000 | |
| 75 | A | A | 0.0000 | |
| 76 | T | A | -0.7125 | |
| 77 | P | A | -0.5581 | |
| 78 | P | A | 0.0000 | |
| 79 | L | A | 0.0941 | |
| 80 | G | A | -0.8004 | |
| 81 | A | A | -0.7230 | |
| 82 | R | A | -1.1087 | |
| 83 | R | A | 0.0000 | |
| 84 | F | A | 0.0000 | |
| 85 | Q | A | -1.2588 | |
| 86 | P | A | -1.1077 | |
| 87 | P | A | -1.2960 | |
| 88 | E | A | -2.0583 | |
| 89 | A | A | -0.9682 | |
| 90 | P | A | 0.0000 | |
| 91 | A | A | -0.2409 | |
| 92 | S | A | -0.2325 | |
| 93 | W | A | -0.3443 | |
| 94 | P | A | -0.6067 | |
| 95 | G | A | -0.8314 | |
| 96 | V | A | -0.9722 | |
| 97 | R | A | -1.5208 | |
| 98 | N | A | -1.6732 | |
| 99 | A | A | 0.0000 | |
| 100 | T | A | -0.3382 | |
| 101 | T | A | 0.0311 | |
| 102 | L | A | 0.5102 | |
| 103 | P | A | 0.0000 | |
| 104 | P | A | -0.8218 | |
| 105 | A | A | 0.0000 | |
| 106 | C | A | 0.0000 | |
| 107 | P | A | 0.0000 | |
| 108 | Q | A | 0.0000 | |
| 109 | N | A | -1.2974 | |
| 110 | L | A | 0.0000 | |
| 111 | H | A | -1.3161 | |
| 112 | G | A | -1.4596 | |
| 113 | A | A | -0.7703 | |
| 114 | L | A | -0.0775 | |
| 115 | P | A | -0.1307 | |
| 116 | A | A | 0.0810 | |
| 117 | I | A | -0.0658 | |
| 118 | M | A | 0.2267 | |
| 119 | L | A | 0.0000 | |
| 120 | P | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | W | A | 0.0000 | |
| 123 | F | A | 0.0000 | |
| 124 | T | A | -0.7270 | |
| 125 | D | A | -1.8010 | |
| 126 | N | A | -1.5391 | |
| 127 | L | A | -1.1545 | |
| 128 | E | A | -2.1170 | |
| 129 | A | A | 0.0000 | |
| 130 | A | A | 0.0000 | |
| 131 | A | A | -1.1180 | |
| 132 | T | A | -1.0456 | |
| 133 | Y | A | -0.4496 | |
| 134 | V | A | 0.0000 | |
| 135 | Q | A | -1.8799 | |
| 136 | N | A | -2.0212 | |
| 137 | Q | A | -1.8283 | |
| 138 | S | A | -1.0693 | |
| 139 | E | A | -0.7441 | |
| 140 | D | A | -0.6500 | |
| 141 | C | A | 0.0000 | |
| 142 | L | A | 0.0000 | |
| 143 | Y | A | 0.0985 | |
| 144 | L | A | 0.0000 | |
| 145 | N | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | Y | A | 0.0000 | |
| 148 | V | A | -0.1077 | |
| 149 | P | A | 0.0000 | |
| 150 | T | A | -1.5865 | |
| 151 | E | A | -3.5490 | |
| 152 | D | A | -3.2247 | |
| 153 | G | A | -2.3177 | |
| 154 | P | A | -1.5141 | |
| 155 | L | A | -0.9209 | |
| 156 | T | A | -2.7365 | |
| 157 | K | A | -4.1959 | |
| 158 | K | A | -5.0510 | |
| 159 | R | A | -4.8181 | |
| 160 | D | A | -4.1155 | |
| 161 | E | A | -3.1908 | |
| 162 | A | A | -1.4781 | |
| 163 | T | A | -0.8668 | |
| 164 | L | A | 0.3580 | |
| 165 | N | A | -0.9927 | |
| 166 | P | A | -1.0968 | |
| 167 | P | A | -1.7194 | |
| 168 | D | A | -2.4130 | |
| 169 | T | A | -1.4067 | |
| 170 | D | A | -1.4270 | |
| 171 | I | A | -0.8519 | |
| 172 | R | A | -2.2856 | |
| 173 | D | A | -3.5520 | |
| 174 | S | A | -2.2136 | |
| 175 | G | A | -1.9905 | |
| 176 | K | A | -2.7471 | |
| 177 | K | A | -1.7253 | |
| 178 | P | A | 0.0000 | |
| 179 | V | A | 0.0000 | |
| 180 | M | A | 0.0000 | |
| 181 | L | A | 0.0000 | |
| 182 | F | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | H | A | 0.0000 | |
| 185 | G | A | -0.0137 | |
| 186 | G | A | 0.0000 | |
| 187 | S | A | 0.0000 | |
| 188 | Y | A | 0.0000 | |
| 189 | M | A | 0.2785 | |
| 190 | E | A | 0.0000 | |
| 191 | G | A | 0.0000 | |
| 192 | T | A | 0.0000 | |
| 193 | G | A | 0.0000 | |
| 194 | N | A | 0.0000 | |
| 195 | M | A | 0.0000 | |
| 196 | F | A | 0.0000 | |
| 197 | D | A | -1.7894 | |
| 198 | G | A | 0.0000 | |
| 199 | S | A | 0.0000 | |
| 200 | V | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | A | A | 0.0000 | |
| 203 | A | A | 0.0039 | |
| 204 | Y | A | 0.2794 | |
| 205 | G | A | 0.0000 | |
| 206 | N | A | 0.0000 | |
| 207 | V | A | 0.0000 | |
| 208 | I | A | 0.0000 | |
| 209 | V | A | 0.0000 | |
| 210 | V | A | 0.0000 | |
| 211 | T | A | 0.0000 | |
| 212 | L | A | 0.0000 | |
| 213 | N | A | 0.0000 | |
| 214 | Y | A | 0.0000 | |
| 215 | R | A | 0.0000 | |
| 216 | L | A | 0.0000 | |
| 217 | G | A | 0.0000 | |
| 218 | V | A | 0.0000 | |
| 219 | L | A | 0.0000 | |
| 220 | G | A | 0.0000 | |
| 221 | F | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | S | A | 0.0000 | |
| 224 | T | A | 0.0000 | |
| 225 | G | A | -1.3719 | |
| 226 | D | A | -2.0670 | |
| 227 | Q | A | -2.0708 | |
| 228 | A | A | -1.7658 | |
| 229 | A | A | 0.0000 | |
| 230 | K | A | -1.6699 | |
| 231 | G | A | 0.0000 | |
| 232 | N | A | 0.0000 | |
| 233 | Y | A | 0.0000 | |
| 234 | G | A | 0.0000 | |
| 235 | L | A | 0.0000 | |
| 236 | L | A | 0.0000 | |
| 237 | D | A | 0.0000 | |
| 238 | Q | A | 0.0000 | |
| 239 | I | A | 0.0000 | |
| 240 | Q | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | R | A | -1.2208 | |
| 244 | W | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | S | A | -1.4932 | |
| 247 | E | A | -1.9023 | |
| 248 | N | A | 0.0000 | |
| 249 | I | A | 0.0000 | |
| 250 | A | A | -1.3712 | |
| 251 | H | A | -1.5119 | |
| 252 | F | A | 0.0000 | |
| 253 | G | A | -1.1957 | |
| 254 | G | A | 0.0000 | |
| 255 | D | A | -1.8129 | |
| 256 | P | A | -1.8487 | |
| 257 | E | A | -2.3950 | |
| 258 | R | A | -1.6646 | |
| 259 | I | A | 0.0000 | |
| 260 | T | A | 0.0000 | |
| 261 | I | A | 0.0000 | |
| 262 | F | A | 0.0000 | |
| 263 | G | A | 0.0000 | |
| 264 | S | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | A | A | 0.0435 | |
| 267 | G | A | 0.0000 | |
| 268 | A | A | 0.0000 | |
| 269 | S | A | 0.0000 | |
| 270 | C | A | 0.0000 | |
| 271 | V | A | 0.0000 | |
| 272 | N | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | L | A | 0.0000 | |
| 275 | I | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | S | A | 0.0000 | |
| 278 | H | A | -1.9687 | |
| 279 | H | A | -1.3606 | |
| 280 | S | A | 0.0000 | |
| 281 | E | A | -2.4979 | |
| 282 | G | A | -1.9478 | |
| 283 | L | A | -1.4029 | |
| 284 | F | A | 0.0000 | |
| 285 | Q | A | -1.3605 | |
| 286 | K | A | -0.5921 | |
| 287 | A | A | 0.0000 | |
| 288 | I | A | 0.0000 | |
| 289 | A | A | 0.0000 | |
| 290 | Q | A | 0.0000 | |
| 291 | S | A | 0.0000 | |
| 292 | G | A | 0.0000 | |
| 293 | T | A | 0.0000 | |
| 294 | A | A | 0.0000 | |
| 295 | I | A | 0.1803 | |
| 296 | S | A | 0.0000 | |
| 297 | S | A | 0.0532 | |
| 298 | W | A | 0.0494 | |
| 299 | S | A | 0.0000 | |
| 300 | V | A | 0.0000 | |
| 301 | N | A | 0.0000 | |
| 302 | Y | A | 0.6793 | |
| 303 | Q | A | -0.9057 | |
| 304 | P | A | -0.6342 | |
| 305 | L | A | -0.4832 | |
| 306 | K | A | -1.2789 | |
| 307 | Y | A | 0.0000 | |
| 308 | T | A | 0.0000 | |
| 309 | R | A | -1.1548 | |
| 310 | L | A | -0.6679 | |
| 311 | L | A | 0.0000 | |
| 312 | A | A | 0.0000 | |
| 313 | A | A | -1.1673 | |
| 314 | K | A | -1.6936 | |
| 315 | V | A | 0.0000 | |
| 316 | G | A | -1.3093 | |
| 317 | C | A | 0.0000 | |
| 318 | D | A | -2.9987 | |
| 319 | R | A | -3.3919 | |
| 320 | E | A | -3.6906 | |
| 321 | D | A | -3.6765 | |
| 322 | S | A | -2.7338 | |
| 323 | T | A | -2.2654 | |
| 324 | E | A | -3.2931 | |
| 325 | A | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | E | A | -1.7603 | |
| 328 | C | A | -1.8238 | |
| 329 | L | A | 0.0000 | |
| 330 | R | A | -1.6536 | |
| 331 | R | A | -2.3050 | |
| 332 | K | A | -1.9529 | |
| 333 | S | A | -1.6741 | |
| 334 | S | A | -1.6819 | |
| 335 | R | A | -2.7161 | |
| 336 | E | A | -2.1716 | |
| 337 | L | A | 0.0000 | |
| 338 | V | A | -1.6169 | |
| 339 | D | A | -2.5807 | |
| 340 | Q | A | -2.4369 | |
| 341 | D | A | -2.6713 | |
| 342 | V | A | 0.0000 | |
| 343 | Q | A | -1.8448 | |
| 344 | P | A | -1.4931 | |
| 345 | A | A | -0.9536 | |
| 346 | R | A | -1.5127 | |
| 347 | Y | A | 0.0000 | |
| 348 | H | A | -0.7230 | |
| 349 | I | A | 0.0000 | |
| 350 | A | A | 0.0000 | |
| 351 | F | A | 0.0000 | |
| 352 | G | A | 0.0000 | |
| 353 | P | A | 0.0000 | |
| 354 | V | A | 0.0000 | |
| 355 | V | A | -0.1703 | |
| 356 | D | A | -1.4205 | |
| 357 | G | A | -1.3392 | |
| 358 | D | A | -1.4067 | |
| 359 | V | A | 0.0000 | |
| 360 | V | A | 0.0000 | |
| 361 | P | A | -1.3719 | |
| 362 | D | A | -1.4741 | |
| 363 | D | A | -0.7142 | |
| 364 | P | A | 0.0000 | |
| 365 | E | A | -0.9379 | |
| 366 | I | A | -0.3011 | |
| 367 | L | A | 0.0000 | |
| 368 | M | A | 0.0000 | |
| 369 | Q | A | -1.8774 | |
| 370 | Q | A | -1.8454 | |
| 371 | G | A | -1.7867 | |
| 372 | E | A | -2.1419 | |
| 373 | F | A | 0.0000 | |
| 374 | L | A | -0.4337 | |
| 375 | N | A | -1.5383 | |
| 376 | Y | A | 0.0000 | |
| 377 | D | A | -0.7031 | |
| 378 | M | A | 0.0000 | |
| 379 | L | A | 0.0000 | |
| 380 | I | A | 0.0000 | |
| 381 | G | A | 0.0000 | |
| 382 | V | A | 0.0000 | |
| 383 | N | A | 0.0000 | |
| 384 | Q | A | -0.4361 | |
| 385 | G | A | 0.0000 | |
| 386 | E | A | 0.0000 | |
| 387 | G | A | 0.0000 | |
| 388 | L | A | 0.0000 | |
| 389 | K | A | -0.7248 | |
| 390 | F | A | 0.0000 | |
| 391 | V | A | 0.0000 | |
| 392 | E | A | -1.8978 | |
| 393 | D | A | -2.2213 | |
| 394 | S | A | -1.5887 | |
| 395 | A | A | -1.3859 | |
| 396 | E | A | -2.2961 | |
| 397 | S | A | -2.4794 | |
| 398 | E | A | -3.3868 | |
| 399 | D | A | -3.2385 | |
| 400 | G | A | -2.5060 | |
| 401 | V | A | 0.0000 | |
| 402 | S | A | -0.9305 | |
| 403 | A | A | -0.6461 | |
| 404 | S | A | 0.0233 | |
| 405 | A | A | 0.1515 | |
| 406 | F | A | 0.0000 | |
| 407 | D | A | -0.4207 | |
| 408 | F | A | 1.3520 | |
| 409 | T | A | 0.4614 | |
| 410 | V | A | 0.0000 | |
| 411 | S | A | -0.5029 | |
| 412 | N | A | -0.2975 | |
| 413 | F | A | 0.0000 | |
| 414 | V | A | 0.0000 | |
| 415 | D | A | -0.4476 | |
| 416 | N | A | -0.7433 | |
| 417 | L | A | -0.2104 | |
| 418 | Y | A | 0.1641 | |
| 419 | G | A | 0.2399 | |
| 420 | Y | A | 0.3809 | |
| 421 | P | A | -0.7659 | |
| 422 | E | A | -2.0565 | |
| 423 | G | A | -1.5970 | |
| 424 | K | A | 0.0000 | |
| 425 | D | A | -2.4177 | |
| 426 | V | A | -1.1603 | |
| 427 | L | A | 0.0000 | |
| 428 | R | A | -1.5446 | |
| 429 | E | A | -1.8753 | |
| 430 | T | A | -0.2843 | |
| 431 | I | A | 0.0000 | |
| 432 | K | A | -0.2707 | |
| 433 | F | A | 1.4967 | |
| 434 | M | A | 0.7896 | |
| 435 | Y | A | 0.0000 | |
| 436 | T | A | -0.1309 | |
| 437 | D | A | -1.1357 | |
| 438 | W | A | -0.0587 | |
| 439 | A | A | -1.0216 | |
| 440 | D | A | -2.8268 | |
| 441 | R | A | -3.2000 | |
| 442 | D | A | -3.3133 | |
| 443 | N | A | -2.9367 | |
| 444 | G | A | -2.6589 | |
| 445 | E | A | -2.9113 | |
| 446 | M | A | -2.0438 | |
| 447 | R | A | -1.9056 | |
| 448 | R | A | 0.0000 | |
| 449 | K | A | -1.4403 | |
| 450 | T | A | 0.0000 | |
| 451 | L | A | 0.0000 | |
| 452 | L | A | 0.0000 | |
| 453 | A | A | -0.4019 | |
| 454 | L | A | 0.0000 | |
| 455 | F | A | 0.0000 | |
| 456 | T | A | 0.0000 | |
| 457 | D | A | 0.0000 | |
| 458 | H | A | -0.1220 | |
| 459 | Q | A | 0.0000 | |
| 460 | W | A | 0.0000 | |
| 461 | V | A | 0.0000 | |
| 462 | A | A | 0.0000 | |
| 463 | P | A | 0.0000 | |
| 464 | A | A | 0.0000 | |
| 465 | V | A | 0.0000 | |
| 466 | A | A | -0.0930 | |
| 467 | T | A | 0.0000 | |
| 468 | A | A | 0.0000 | |
| 469 | K | A | -1.3564 | |
| 470 | L | A | -1.2437 | |
| 471 | H | A | 0.0000 | |
| 472 | A | A | -1.8468 | |
| 473 | D | A | -2.4710 | |
| 474 | Y | A | -1.4650 | |
| 475 | Q | A | -1.7206 | |
| 476 | S | A | 0.0000 | |
| 477 | P | A | -1.2078 | |
| 478 | V | A | 0.0000 | |
| 479 | Y | A | 0.0000 | |
| 480 | F | A | 0.0000 | |
| 481 | Y | A | 0.0000 | |
| 482 | T | A | 0.0000 | |
| 483 | F | A | 0.0000 | |
| 484 | Y | A | -0.3106 | |
| 485 | H | A | -0.5237 | |
| 486 | H | A | -0.5527 | |
| 487 | C | A | -1.0764 | |
| 488 | Q | A | -2.2992 | |
| 489 | A | A | -2.2495 | |
| 490 | E | A | -2.8725 | |
| 491 | G | A | -2.0203 | |
| 492 | R | A | -1.8745 | |
| 493 | P | A | -1.9348 | |
| 494 | E | A | -2.5434 | |
| 495 | W | A | -1.4359 | |
| 496 | A | A | 0.0000 | |
| 497 | D | A | -0.9977 | |
| 498 | A | A | 0.0000 | |
| 499 | A | A | 0.0000 | |
| 500 | H | A | 0.0000 | |
| 501 | G | A | 0.0000 | |
| 502 | D | A | 0.0000 | |
| 503 | E | A | 0.0000 | |
| 504 | L | A | 0.0000 | |
| 505 | P | A | 0.0000 | |
| 506 | Y | A | 0.0000 | |
| 507 | V | A | 0.0000 | |
| 508 | F | A | 0.0000 | |
| 509 | G | A | 0.0000 | |
| 510 | V | A | 0.0000 | |
| 511 | P | A | 0.0000 | |
| 512 | M | A | 0.0000 | |
| 513 | V | A | -0.2695 | |
| 514 | G | A | -0.3399 | |
| 515 | A | A | -0.6201 | |
| 516 | T | A | -1.0121 | |
| 517 | D | A | -2.0994 | |
| 518 | L | A | 0.0000 | |
| 519 | F | A | 0.0000 | |
| 520 | P | A | -1.3837 | |
| 521 | C | A | 0.0000 | |
| 522 | N | A | -1.8865 | |
| 523 | F | A | -0.9880 | |
| 524 | S | A | -1.4042 | |
| 525 | K | A | -2.1553 | |
| 526 | N | A | -1.3185 | |
| 527 | D | A | 0.0000 | |
| 528 | V | A | -0.5830 | |
| 529 | M | A | 0.0000 | |
| 530 | L | A | 0.0000 | |
| 531 | S | A | 0.0000 | |
| 532 | A | A | 0.0000 | |
| 533 | V | A | 0.0000 | |
| 534 | V | A | 0.0000 | |
| 535 | M | A | 0.0000 | |
| 536 | T | A | 0.0000 | |
| 537 | Y | A | 0.0000 | |
| 538 | W | A | 0.0000 | |
| 539 | T | A | 0.0000 | |
| 540 | N | A | 0.0000 | |
| 541 | F | A | 0.0000 | |
| 542 | A | A | 0.0000 | |
| 543 | K | A | 0.0000 | |
| 544 | T | A | -0.4829 | |
| 545 | G | A | 0.0000 | |
| 546 | D | A | -1.0574 | |
| 547 | P | A | 0.0000 | |
| 548 | N | A | -0.5291 | |
| 549 | Q | A | -1.3132 | |
| 550 | P | A | -0.7839 | |
| 551 | V | A | -0.4656 | |
| 552 | P | A | -1.1667 | |
| 553 | Q | A | 0.0000 | |
| 554 | D | A | -2.2926 | |
| 555 | T | A | -1.4248 | |
| 556 | K | A | -0.4678 | |
| 557 | F | A | 1.2463 | |
| 558 | I | A | 0.0000 | |
| 559 | H | A | 0.0000 | |
| 560 | T | A | -0.5920 | |
| 561 | K | A | -1.4549 | |
| 562 | P | A | -1.5237 | |
| 563 | N | A | 0.0000 | |
| 564 | R | A | -2.6508 | |
| 565 | F | A | 0.0000 | |
| 566 | E | A | -3.1246 | |
| 567 | E | A | -2.7185 | |
| 568 | V | A | -0.9288 | |
| 569 | V | A | 0.6809 | |
| 570 | W | A | 0.0000 | |
| 571 | S | A | -0.5511 | |
| 572 | K | A | -1.7179 | |
| 573 | F | A | 0.0000 | |
| 574 | N | A | -2.5427 | |
| 575 | S | A | -2.2532 | |
| 576 | K | A | -2.9231 | |
| 577 | E | A | -2.8518 | |
| 578 | K | A | -2.6918 | |
| 579 | Q | A | -2.4307 | |
| 580 | Y | A | 0.0000 | |
| 581 | L | A | 0.0000 | |
| 582 | H | A | -1.1813 | |
| 583 | I | A | 0.0000 | |
| 584 | G | A | 0.0000 | |
| 585 | L | A | -0.9407 | |
| 586 | K | A | -2.1170 | |
| 587 | P | A | -2.1168 | |
| 588 | R | A | -2.0103 | |
| 589 | V | A | -0.9035 | |
| 590 | R | A | -2.2808 | |
| 591 | D | A | -2.9347 | |
| 592 | N | A | -2.3857 | |
| 593 | Y | A | 0.0000 | |
| 594 | R | A | -1.4752 | |
| 595 | A | A | -1.3546 | |
| 596 | N | A | -1.5881 | |
| 597 | K | A | -1.0802 | |
| 598 | V | A | 0.0000 | |
| 599 | A | A | -0.8390 | |
| 600 | F | A | 0.0000 | |
| 601 | W | A | 0.0000 | |
| 602 | L | A | -0.3539 | |
| 603 | E | A | -1.5457 | |
| 604 | L | A | -0.5935 | |
| 605 | V | A | 0.0000 | |
| 606 | P | A | -1.1312 | |
| 607 | H | A | -1.5431 | |
| 608 | L | A | 0.0000 | |
| 609 | H | A | -1.1832 | |
| 610 | N | A | -1.7947 | |
| 611 | L | A | -0.4088 | |
| 612 | H | A | -0.4811 | |
| 613 | T | A | -0.3485 | |
| 614 | E | A | -0.7654 | |
| 615 | L | A | 1.4546 | |
| 616 | F | A | 2.0614 | |
| 617 | T | A | 0.4143 | |
| 618 | T | A | 0.1267 | |
| 619 | T | A | 0.1738 | |
| 620 | T | A | -0.3816 | |
| 621 | R | A | -1.2624 | |
| 622 | L | A | 0.6447 | |
| 623 | P | A | 0.2753 | |
| 624 | P | A | 0.3986 | |
| 625 | Y | A | 1.1515 | |
| 626 | A | A | 0.1968 | |
| 627 | T | A | -0.3406 | |
| 628 | R | A | -1.2212 | |
| 629 | W | A | -0.1027 | |
| 630 | P | A | -0.6827 | |
| 631 | P | A | -1.2604 | |
| 632 | R | A | -1.9830 | |
| 633 | T | A | -1.2555 | |
| 634 | P | A | -0.9818 | |
| 635 | G | A | -0.8141 | |
| 636 | P | A | -0.7718 | |
| 637 | G | A | -0.7593 | |
| 638 | T | A | -0.5576 | |
| 639 | S | A | -0.5900 | |
| 640 | G | A | -1.0373 | |
| 641 | T | A | -1.6317 | |
| 642 | R | A | -2.9075 | |
| 643 | R | A | -2.8817 | |
| 644 | P | A | -1.6191 | |
| 645 | P | A | -0.8883 | |
| 646 | P | A | -0.5210 | |
| 647 | P | A | -0.4172 | |
| 648 | A | A | 0.1817 | |
| 649 | T | A | 0.5976 | |
| 650 | L | A | 1.3513 | |
| 651 | P | A | 0.0182 | |
| 652 | P | A | -1.2323 | |
| 653 | E | A | -2.4831 | |
| 654 | S | A | -1.7044 | |
| 655 | D | A | -1.5952 | |
| 656 | I | A | 0.5810 | |
| 657 | D | A | -0.7120 | |
| 658 | L | A | 0.3753 | |
| 659 | G | A | -0.5815 | |
| 660 | P | A | -0.9932 | |
| 661 | R | A | -1.7012 | |
| 662 | A | A | -1.1781 | |
| 663 | Y | A | -0.3749 | |
| 664 | D | A | -1.8727 | |
| 665 | R | A | -1.5362 | |
| 666 | F | A | 0.2314 | |
| 667 | P | A | -0.8362 | |
| 668 | G | A | -1.7666 | |
| 669 | D | A | -2.5956 | |
| 670 | S | A | -2.2056 | |
| 671 | R | A | -3.1502 | |
| 672 | D | A | -2.6503 | |
| 673 | Y | A | -0.7062 | |
| 674 | S | A | -0.9182 | |
| 675 | T | A | -0.6202 | |
| 676 | E | A | -0.8488 | |
| 677 | L | A | 1.0132 | |
| 678 | S | A | 1.2688 | |
| 679 | V | A | 2.1692 | |
| 680 | T | A | 1.5959 | |
| 681 | V | A | 2.4929 | |
| 682 | A | A | 2.0542 | |
| 683 | V | A | 2.6158 | |
| 684 | G | A | 2.1751 | |
| 685 | A | A | 2.3097 | |
| 686 | S | A | 2.4767 | |
| 687 | L | A | 3.1586 | |
| 688 | L | A | 3.6925 | |
| 689 | F | A | 4.4855 | |
| 690 | L | A | 3.8957 | |
| 691 | N | A | 2.8079 | |
| 692 | I | A | 4.1993 | |
| 693 | L | A | 3.7839 | |
| 694 | A | A | 3.1392 | |
| 695 | F | A | 3.7306 | |
| 696 | A | A | 2.6097 | |
| 697 | A | A | 1.7997 | |
| 698 | L | A | 2.1250 | |
| 699 | Y | A | 1.2596 | |
| 700 | Y | A | -0.0079 | |
| 701 | K | A | -2.0997 | |
| 702 | R | A | -3.6042 | |
| 703 | D | A | -4.3655 | |
| 704 | R | A | -4.7515 | |
| 705 | R | A | -5.2493 | |
| 706 | Q | A | -4.7572 | |
| 707 | E | A | -4.7969 | |
| 708 | L | A | -3.5754 | |
| 709 | R | A | -3.8355 | |
| 710 | C | A | -2.2053 | |
| 711 | R | A | -3.1176 | |
| 712 | R | A | -2.5491 | |
| 713 | L | A | -0.1818 | |
| 714 | S | A | -0.7762 | |
| 715 | P | A | -0.8376 | |
| 716 | P | A | -0.6339 | |
| 717 | G | A | -1.0089 | |
| 718 | G | A | -1.0003 | |
| 719 | S | A | -0.8450 | |
| 720 | G | A | -0.9338 | |
| 721 | S | A | -0.3513 | |
| 722 | G | A | 0.1309 | |
| 723 | V | A | 1.2824 | |
| 724 | P | A | 0.1659 | |
| 725 | G | A | -0.5241 | |
| 726 | G | A | -1.0293 | |
| 727 | G | A | -0.6094 | |
| 728 | P | A | 0.5193 | |
| 729 | L | A | 2.0122 | |
| 730 | L | A | 2.0778 | |
| 731 | P | A | 0.9136 | |
| 732 | T | A | 0.0642 | |
| 733 | A | A | -0.6375 | |
| 734 | G | A | -1.6837 | |
| 735 | R | A | -2.6625 | |
| 736 | E | A | -2.1211 | |
| 737 | L | A | 0.1349 | |
| 738 | P | A | -0.3716 | |
| 739 | P | A | -1.3108 | |
| 740 | E | A | -3.2458 | |
| 741 | E | A | -3.3057 | |
| 742 | E | A | -1.9393 | |
| 743 | L | A | 1.0538 | |
| 744 | V | A | 2.3220 | |
| 745 | S | A | 1.4723 | |
| 746 | L | A | 1.5668 | |
| 747 | Q | A | -0.0785 | |
| 748 | L | A | 0.0040 | |
| 749 | K | A | -2.2137 | |
| 750 | R | A | -2.6951 | |
| 751 | G | A | -2.2296 | |
| 752 | G | A | -0.9168 | |
| 753 | G | A | 0.0734 | |
| 754 | V | A | 1.2087 | |
| 755 | G | A | -0.0543 | |
| 756 | A | A | -0.7264 | |
| 757 | D | A | -1.9698 | |
| 758 | P | A | -1.4344 | |
| 759 | A | A | -1.2671 | |
| 760 | E | A | -1.4908 | |
| 761 | A | A | -0.4163 | |
| 762 | L | A | 0.2624 | |
| 763 | R | A | -1.1511 | |
| 764 | P | A | -0.7872 | |
| 765 | A | A | -0.1558 | |
| 766 | C | A | 0.3464 | |
| 767 | P | A | -0.4552 | |
| 768 | P | A | -0.8325 | |
| 769 | D | A | -1.1900 | |
| 770 | Y | A | 0.7977 | |
| 771 | T | A | 1.1006 | |
| 772 | L | A | 1.7489 | |
| 773 | A | A | 1.0157 | |
| 774 | L | A | 0.4343 | |
| 775 | R | A | -1.7421 | |
| 776 | R | A | -2.5569 | |
| 777 | A | A | -1.9719 | |
| 778 | P | A | -2.0977 | |
| 779 | D | A | -2.3570 | |
| 780 | D | A | -1.7735 | |
| 781 | V | A | 0.8541 | |
| 782 | P | A | 1.0706 | |
| 783 | L | A | 2.2640 | |
| 784 | L | A | 2.3539 | |
| 785 | A | A | 0.9235 | |
| 786 | P | A | 0.3934 | |
| 787 | G | A | 0.0270 | |
| 788 | A | A | 0.6861 | |
| 789 | L | A | 1.9647 | |
| 790 | T | A | 1.7582 | |
| 791 | L | A | 2.5892 | |
| 792 | L | A | 2.2328 | |
| 793 | P | A | 0.6532 | |
| 794 | S | A | 0.2727 | |
| 795 | G | A | 0.1920 | |
| 796 | L | A | 0.9935 | |
| 797 | G | A | -0.0593 | |
| 798 | P | A | -0.3679 | |
| 799 | P | A | -0.6937 | |
| 800 | P | A | -0.7011 | |
| 801 | P | A | -0.6789 | |
| 802 | P | A | -0.6736 | |
| 803 | P | A | -0.6753 | |
| 804 | P | A | -0.4519 | |
| 805 | P | A | -0.2575 | |
| 806 | S | A | 0.0752 | |
| 807 | L | A | 0.8269 | |
| 808 | H | A | -0.0175 | |
| 809 | P | A | 0.5698 | |
| 810 | F | A | 1.3556 | |
| 811 | G | A | 0.8661 | |
| 812 | P | A | 0.8105 | |
| 813 | F | A | 1.5307 | |
| 814 | P | A | 0.5849 | |
| 815 | P | A | -0.1520 | |
| 816 | P | A | -0.6430 | |
| 817 | P | A | -0.6160 | |
| 818 | P | A | -0.4517 | |
| 819 | T | A | -0.2217 | |
| 820 | A | A | -0.1197 | |
| 821 | T | A | -0.3920 | |
| 822 | S | A | -0.9788 | |
| 823 | H | A | -2.0860 | |
| 824 | N | A | -2.4941 | |
| 825 | N | A | -1.7924 | |
| 826 | T | A | -0.3491 | |
| 827 | L | A | 0.9234 | |
| 828 | P | A | -0.0805 | |
| 829 | H | A | -1.1184 | |
| 830 | P | A | -1.2862 | |
| 831 | H | A | -1.4265 | |
| 832 | S | A | -0.8723 | |
| 833 | T | A | -0.7821 | |
| 834 | T | A | -0.6245 | |
| 835 | R | A | -0.8407 | |
| 836 | V | A | 0.6633 |
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 | -0.0204 | 7.8137 | View | CSV | PDB |
| 4.5 | -0.0933 | 7.8137 | View | CSV | PDB |
| 5.0 | -0.1828 | 7.8137 | View | CSV | PDB |
| 5.5 | -0.2761 | 7.8137 | View | CSV | PDB |
| 6.0 | -0.3612 | 7.8137 | View | CSV | PDB |
| 6.5 | -0.4291 | 7.8137 | View | CSV | PDB |
| 7.0 | -0.477 | 7.8137 | View | CSV | PDB |
| 7.5 | -0.5096 | 7.8137 | View | CSV | PDB |
| 8.0 | -0.532 | 7.8137 | View | CSV | PDB |
| 8.5 | -0.545 | 7.8137 | View | CSV | PDB |
| 9.0 | -0.5465 | 7.8137 | 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