| Chain sequence(s) | MAAGVAAWLPFARAAAIGWMPVASGPMPAPPRQERKRTQDALIVLNVSGTRFQTWQDTLERYPDTLLGSSERDFFYHPETQQYFFDRDPDIFRHILNFYRTGKLHYPRHECISAYDEELAFFGLIPEIIGDCCYEEYKDRRRENAERLQDDADTDNTGESALPTMTARQRVWRAFENPHTSTMALVFYYVTGFFIAVSVIANVVETVPCGSSPGHIKELPCGERYAVAFFCLDTACVMIFTVEYLLRLAAAPSRYRFVRSVMSIIDVVAILPYYIGLVMTDNEDVSGAFVTLRVFRVFRIFKFSRHSQGLRILGYTLKSCASELGFLLFSLTMAIIIFATVMFYAEKGSSASKFTSIPAAFWYTIVTMTTLGYGDMVPKTIAGKIFGSICSLSGVLVIALPVPVIVSNFSRIYHQNQRADKRRAQKKARLARIRAAKSGSANAYMQSKRNGLLSNQLQSSEDEPAFISKSGSSFETQHHHLLHCLEKTTNHEFVDEQVFEESCMEVATVNRPSSHSPSLSSQQGVTSTCCSRRHKKTFRIPNANVSGSHRGSVQELSTIQIRCVERTPLSNSRSSLNAKMEECVKLNCEQPYVTTAIISIPTPPVTTPEGDDRPESPEYSGGNIVRVSAL 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 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 (00:26:12)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6eef8d8be6d32f/tmp/folded.pdb (00:26:12)
[INFO] Main: Simulation completed successfully. (00:39:02)
|
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 | 1.3109 | |
| 2 | A | A | 0.9664 | |
| 3 | A | A | 0.8318 | |
| 4 | G | A | 1.0331 | |
| 5 | V | A | 2.2076 | |
| 6 | A | A | 1.3997 | |
| 7 | A | A | 1.4824 | |
| 8 | W | A | 2.2461 | |
| 9 | L | A | 1.5849 | |
| 10 | P | A | 0.7637 | |
| 11 | F | A | 2.0771 | |
| 12 | A | A | 0.8159 | |
| 13 | R | A | -0.4502 | |
| 14 | A | A | 0.6431 | |
| 15 | A | A | 0.9653 | |
| 16 | A | A | 1.1089 | |
| 17 | I | A | 2.2475 | |
| 18 | G | A | 1.3419 | |
| 19 | W | A | 2.5860 | |
| 20 | M | A | 2.5540 | |
| 21 | P | A | 1.6455 | |
| 22 | V | A | 2.1788 | |
| 23 | A | A | 1.2561 | |
| 24 | S | A | 0.2628 | |
| 25 | G | A | -0.0881 | |
| 26 | P | A | -0.0646 | |
| 27 | M | A | 0.6484 | |
| 28 | P | A | 0.0459 | |
| 29 | A | A | -0.3092 | |
| 30 | P | A | -0.9118 | |
| 31 | P | A | -1.9025 | |
| 32 | R | A | -3.4318 | |
| 33 | Q | A | -4.1860 | |
| 34 | E | A | -4.7970 | |
| 35 | R | A | -4.7684 | |
| 36 | K | A | -4.4637 | |
| 37 | R | A | -4.2358 | |
| 38 | T | A | -2.7442 | |
| 39 | Q | A | -2.4399 | |
| 40 | D | A | -1.6451 | |
| 41 | A | A | -0.1587 | |
| 42 | L | A | 0.7473 | |
| 43 | I | A | 0.0000 | |
| 44 | V | A | -0.1509 | |
| 45 | L | A | 0.0000 | |
| 46 | N | A | 0.0000 | |
| 47 | V | A | 0.0000 | |
| 48 | S | A | -1.3441 | |
| 49 | G | A | -0.9994 | |
| 50 | T | A | -1.2781 | |
| 51 | R | A | -1.9034 | |
| 52 | F | A | -1.3313 | |
| 53 | Q | A | -1.0012 | |
| 54 | T | A | 0.0000 | |
| 55 | W | A | -0.2757 | |
| 56 | Q | A | -1.5923 | |
| 57 | D | A | -2.8614 | |
| 58 | T | A | 0.0000 | |
| 59 | L | A | 0.0000 | |
| 60 | E | A | -3.3188 | |
| 61 | R | A | -3.0335 | |
| 62 | Y | A | -1.8189 | |
| 63 | P | A | -2.1513 | |
| 64 | D | A | -2.4738 | |
| 65 | T | A | 0.0000 | |
| 66 | L | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | G | A | -2.1459 | |
| 69 | S | A | -2.0563 | |
| 70 | S | A | -1.5115 | |
| 71 | E | A | -1.9018 | |
| 72 | R | A | 0.0000 | |
| 73 | D | A | -1.2175 | |
| 74 | F | A | 0.9535 | |
| 75 | F | A | 0.6495 | |
| 76 | Y | A | 0.0803 | |
| 77 | H | A | -0.8759 | |
| 78 | P | A | -1.6374 | |
| 79 | E | A | -2.4167 | |
| 80 | T | A | -1.5128 | |
| 81 | Q | A | -1.7690 | |
| 82 | Q | A | -1.1202 | |
| 83 | Y | A | 0.0000 | |
| 84 | F | A | 0.6250 | |
| 85 | F | A | 0.0000 | |
| 86 | D | A | -1.9679 | |
| 87 | R | A | -1.8216 | |
| 88 | D | A | -2.1890 | |
| 89 | P | A | -2.2336 | |
| 90 | D | A | -2.5249 | |
| 91 | I | A | 0.0000 | |
| 92 | F | A | 0.0000 | |
| 93 | R | A | -1.8566 | |
| 94 | H | A | -1.7122 | |
| 95 | I | A | 0.0000 | |
| 96 | L | A | 0.0000 | |
| 97 | N | A | -1.9821 | |
| 98 | F | A | 0.0000 | |
| 99 | Y | A | 0.0000 | |
| 100 | R | A | -2.2188 | |
| 101 | T | A | -1.3661 | |
| 102 | G | A | -1.2827 | |
| 103 | K | A | -1.5377 | |
| 104 | L | A | 0.0000 | |
| 105 | H | A | -1.1503 | |
| 106 | Y | A | 0.0000 | |
| 107 | P | A | -1.7300 | |
| 108 | R | A | -2.6619 | |
| 109 | H | A | -2.0201 | |
| 110 | E | A | -1.5302 | |
| 111 | C | A | -0.4454 | |
| 112 | I | A | 0.0000 | |
| 113 | S | A | -0.8777 | |
| 114 | A | A | -0.8047 | |
| 115 | Y | A | 0.0000 | |
| 116 | D | A | -0.9904 | |
| 117 | E | A | -1.8869 | |
| 118 | E | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | A | A | -0.0682 | |
| 121 | F | A | -0.1231 | |
| 122 | F | A | 0.0000 | |
| 123 | G | A | -0.0250 | |
| 124 | L | A | 0.0000 | |
| 125 | I | A | 1.5706 | |
| 126 | P | A | 0.1390 | |
| 127 | E | A | -1.0594 | |
| 128 | I | A | 0.1079 | |
| 129 | I | A | 0.0000 | |
| 130 | G | A | 0.0000 | |
| 131 | D | A | -1.9978 | |
| 132 | C | A | -0.6352 | |
| 133 | C | A | -1.2969 | |
| 134 | Y | A | -2.1345 | |
| 135 | E | A | -3.3327 | |
| 136 | E | A | -3.4097 | |
| 137 | Y | A | 0.0000 | |
| 138 | K | A | -4.4137 | |
| 139 | D | A | -4.9037 | |
| 140 | R | A | -4.4582 | |
| 141 | R | A | -4.4653 | |
| 142 | R | A | -4.9219 | |
| 143 | E | A | -4.7094 | |
| 144 | N | A | -3.2368 | |
| 145 | A | A | -2.8639 | |
| 146 | E | A | -3.3710 | |
| 147 | R | A | -2.7716 | |
| 148 | L | A | -1.3530 | |
| 149 | Q | A | -2.5444 | |
| 150 | D | A | -2.4885 | |
| 151 | D | A | -2.2207 | |
| 152 | A | A | -2.4448 | |
| 153 | D | A | -3.2122 | |
| 154 | T | A | -3.0771 | |
| 155 | D | A | -3.8674 | |
| 156 | N | A | -3.3658 | |
| 157 | T | A | -2.4091 | |
| 158 | G | A | -2.3050 | |
| 159 | E | A | -2.5914 | |
| 160 | S | A | -1.4691 | |
| 161 | A | A | 0.0279 | |
| 162 | L | A | 1.0737 | |
| 163 | P | A | 0.5478 | |
| 164 | T | A | 0.1276 | |
| 165 | M | A | -0.3827 | |
| 166 | T | A | -1.2558 | |
| 167 | A | A | -1.6623 | |
| 168 | R | A | -2.7036 | |
| 169 | Q | A | -2.7679 | |
| 170 | R | A | -2.8012 | |
| 171 | V | A | -1.5343 | |
| 172 | W | A | -1.8433 | |
| 173 | R | A | -2.6179 | |
| 174 | A | A | -1.6472 | |
| 175 | F | A | 0.0000 | |
| 176 | E | A | -2.5205 | |
| 177 | N | A | -2.1614 | |
| 178 | P | A | -0.6406 | |
| 179 | H | A | -1.1635 | |
| 180 | T | A | -1.2116 | |
| 181 | S | A | -0.0784 | |
| 182 | T | A | 0.8623 | |
| 183 | M | A | 1.7539 | |
| 184 | A | A | 0.0000 | |
| 185 | L | A | 1.8134 | |
| 186 | V | A | 3.1405 | |
| 187 | F | A | 2.6560 | |
| 188 | Y | A | 2.1833 | |
| 189 | Y | A | 3.2124 | |
| 190 | V | A | 3.0790 | |
| 191 | T | A | 0.0000 | |
| 192 | G | A | 2.2022 | |
| 193 | F | A | 2.9554 | |
| 194 | F | A | 2.2688 | |
| 195 | I | A | 0.0000 | |
| 196 | A | A | 1.8948 | |
| 197 | V | A | 2.0385 | |
| 198 | S | A | 0.0000 | |
| 199 | V | A | 2.2481 | |
| 200 | I | A | 3.0988 | |
| 201 | A | A | 0.0000 | |
| 202 | N | A | 2.0014 | |
| 203 | V | A | 3.2106 | |
| 204 | V | A | 2.6563 | |
| 205 | E | A | 0.0000 | |
| 206 | T | A | 1.0601 | |
| 207 | V | A | 1.6034 | |
| 208 | P | A | -0.5638 | |
| 209 | C | A | -0.4595 | |
| 210 | G | A | -1.0302 | |
| 211 | S | A | -1.4695 | |
| 212 | S | A | -1.1542 | |
| 213 | P | A | -0.5034 | |
| 214 | G | A | -0.7175 | |
| 215 | H | A | -0.9895 | |
| 216 | I | A | 0.2420 | |
| 217 | K | A | -1.9497 | |
| 218 | E | A | -2.3985 | |
| 219 | L | A | -1.7060 | |
| 220 | P | A | -0.9650 | |
| 221 | C | A | 0.0000 | |
| 222 | G | A | 0.0000 | |
| 223 | E | A | -1.9737 | |
| 224 | R | A | -1.8976 | |
| 225 | Y | A | 0.3843 | |
| 226 | A | A | 0.9233 | |
| 227 | V | A | 2.5828 | |
| 228 | A | A | 1.8685 | |
| 229 | F | A | 1.9796 | |
| 230 | F | A | 3.2857 | |
| 231 | C | A | 2.3710 | |
| 232 | L | A | 1.9413 | |
| 233 | D | A | 0.0000 | |
| 234 | T | A | 1.2478 | |
| 235 | A | A | 1.0107 | |
| 236 | C | A | 0.0000 | |
| 237 | V | A | 0.0000 | |
| 238 | M | A | 1.2166 | |
| 239 | I | A | 1.5957 | |
| 240 | F | A | 0.0000 | |
| 241 | T | A | 1.7418 | |
| 242 | V | A | 2.6512 | |
| 243 | E | A | 0.0000 | |
| 244 | Y | A | 0.0000 | |
| 245 | L | A | 2.1386 | |
| 246 | L | A | 1.7166 | |
| 247 | R | A | 0.0000 | |
| 248 | L | A | 0.5890 | |
| 249 | A | A | 0.0481 | |
| 250 | A | A | 0.0000 | |
| 251 | A | A | 0.0000 | |
| 252 | P | A | -1.2293 | |
| 253 | S | A | -1.1235 | |
| 254 | R | A | -1.8530 | |
| 255 | Y | A | -0.9153 | |
| 256 | R | A | -2.2728 | |
| 257 | F | A | -0.7949 | |
| 258 | V | A | 0.0161 | |
| 259 | R | A | -1.2756 | |
| 260 | S | A | 0.3647 | |
| 261 | V | A | 2.1637 | |
| 262 | M | A | 1.6011 | |
| 263 | S | A | 0.0000 | |
| 264 | I | A | 2.5465 | |
| 265 | I | A | 2.6747 | |
| 266 | D | A | 0.0000 | |
| 267 | V | A | 1.9011 | |
| 268 | V | A | 2.0630 | |
| 269 | A | A | 0.0000 | |
| 270 | I | A | 0.0000 | |
| 271 | L | A | 1.8155 | |
| 272 | P | A | 0.0000 | |
| 273 | Y | A | 1.8035 | |
| 274 | Y | A | 2.1255 | |
| 275 | I | A | 2.4263 | |
| 276 | G | A | 0.0000 | |
| 277 | L | A | 2.3844 | |
| 278 | V | A | 2.3005 | |
| 279 | M | A | 0.7417 | |
| 280 | T | A | -0.4021 | |
| 281 | D | A | -2.5224 | |
| 282 | N | A | -3.2847 | |
| 283 | E | A | -3.6875 | |
| 284 | D | A | -3.2293 | |
| 285 | V | A | -1.4319 | |
| 286 | S | A | -0.6688 | |
| 287 | G | A | 0.0205 | |
| 288 | A | A | 0.7136 | |
| 289 | F | A | 2.2758 | |
| 290 | V | A | 2.4078 | |
| 291 | T | A | 1.5810 | |
| 292 | L | A | 1.7278 | |
| 293 | R | A | 1.1565 | |
| 294 | V | A | 2.4243 | |
| 295 | F | A | 2.0592 | |
| 296 | R | A | 1.2860 | |
| 297 | V | A | 2.1451 | |
| 298 | F | A | 2.4160 | |
| 299 | R | A | 0.0000 | |
| 300 | I | A | 2.1042 | |
| 301 | F | A | 2.5822 | |
| 302 | K | A | 0.0000 | |
| 303 | F | A | 1.1685 | |
| 304 | S | A | 0.6934 | |
| 305 | R | A | -0.2470 | |
| 306 | H | A | 0.0863 | |
| 307 | S | A | -0.2275 | |
| 308 | Q | A | -0.8906 | |
| 309 | G | A | -0.0836 | |
| 310 | L | A | 0.9779 | |
| 311 | R | A | -0.0840 | |
| 312 | I | A | 0.4298 | |
| 313 | L | A | 1.0266 | |
| 314 | G | A | 0.7117 | |
| 315 | Y | A | 1.1186 | |
| 316 | T | A | 0.0000 | |
| 317 | L | A | 0.3450 | |
| 318 | K | A | -0.8380 | |
| 319 | S | A | -0.3064 | |
| 320 | C | A | 0.0000 | |
| 321 | A | A | -0.2395 | |
| 322 | S | A | -0.0259 | |
| 323 | E | A | 0.8526 | |
| 324 | L | A | 1.0729 | |
| 325 | G | A | 1.4515 | |
| 326 | F | A | 2.4423 | |
| 327 | L | A | 0.0000 | |
| 328 | L | A | 3.0128 | |
| 329 | F | A | 3.3197 | |
| 330 | S | A | 2.1941 | |
| 331 | L | A | 2.3659 | |
| 332 | T | A | 2.3511 | |
| 333 | M | A | 2.2300 | |
| 334 | A | A | 2.1080 | |
| 335 | I | A | 2.3704 | |
| 336 | I | A | 2.7470 | |
| 337 | I | A | 3.1660 | |
| 338 | F | A | 2.7508 | |
| 339 | A | A | 0.0000 | |
| 340 | T | A | 2.0187 | |
| 341 | V | A | 2.1266 | |
| 342 | M | A | 0.0000 | |
| 343 | F | A | 0.5524 | |
| 344 | Y | A | 1.0514 | |
| 345 | A | A | 0.6531 | |
| 346 | E | A | 0.0000 | |
| 347 | K | A | -1.5429 | |
| 348 | G | A | -1.1441 | |
| 349 | S | A | -1.3280 | |
| 350 | S | A | -0.9855 | |
| 351 | A | A | -0.7606 | |
| 352 | S | A | -1.4032 | |
| 353 | K | A | -2.0912 | |
| 354 | F | A | 0.0000 | |
| 355 | T | A | -0.6798 | |
| 356 | S | A | -0.0986 | |
| 357 | I | A | 1.3448 | |
| 358 | P | A | 0.5001 | |
| 359 | A | A | 0.1587 | |
| 360 | A | A | 0.0000 | |
| 361 | F | A | 1.7330 | |
| 362 | W | A | 1.1730 | |
| 363 | Y | A | 0.0000 | |
| 364 | T | A | 0.0000 | |
| 365 | I | A | 1.6851 | |
| 366 | V | A | 0.0000 | |
| 367 | T | A | 1.2381 | |
| 368 | M | A | 0.0000 | |
| 369 | T | A | 0.9520 | |
| 370 | T | A | 1.2597 | |
| 371 | L | A | 1.7139 | |
| 372 | G | A | 0.7349 | |
| 373 | Y | A | 0.9543 | |
| 374 | G | A | -0.2191 | |
| 375 | D | A | -1.2627 | |
| 376 | M | A | 0.0000 | |
| 377 | V | A | -0.2222 | |
| 378 | P | A | -0.1737 | |
| 379 | K | A | -1.0125 | |
| 380 | T | A | 0.1908 | |
| 381 | I | A | 1.8194 | |
| 382 | A | A | 1.4044 | |
| 383 | G | A | 0.0000 | |
| 384 | K | A | 0.4847 | |
| 385 | I | A | 2.1551 | |
| 386 | F | A | 2.4195 | |
| 387 | G | A | 0.0000 | |
| 388 | S | A | 1.2875 | |
| 389 | I | A | 2.3148 | |
| 390 | C | A | 0.0000 | |
| 391 | S | A | 1.6986 | |
| 392 | L | A | 2.8002 | |
| 393 | S | A | 2.1474 | |
| 394 | G | A | 0.0000 | |
| 395 | V | A | 2.8852 | |
| 396 | L | A | 3.1860 | |
| 397 | V | A | 2.3936 | |
| 398 | I | A | 2.2794 | |
| 399 | A | A | 2.2930 | |
| 400 | L | A | 2.7375 | |
| 401 | P | A | 0.0000 | |
| 402 | V | A | 2.0241 | |
| 403 | P | A | 1.7762 | |
| 404 | V | A | 2.2078 | |
| 405 | I | A | 0.0000 | |
| 406 | V | A | 1.9997 | |
| 407 | S | A | 0.7720 | |
| 408 | N | A | 0.3335 | |
| 409 | F | A | 0.6600 | |
| 410 | S | A | -0.5353 | |
| 411 | R | A | -2.1070 | |
| 412 | I | A | -1.0647 | |
| 413 | Y | A | -1.1677 | |
| 414 | H | A | -2.7680 | |
| 415 | Q | A | -2.9556 | |
| 416 | N | A | -2.6020 | |
| 417 | Q | A | -3.6030 | |
| 418 | R | A | -4.0241 | |
| 419 | A | A | -3.3888 | |
| 420 | D | A | -3.4090 | |
| 421 | K | A | -4.1831 | |
| 422 | R | A | -3.7075 | |
| 423 | R | A | -3.7160 | |
| 424 | A | A | -3.0870 | |
| 425 | Q | A | -3.4297 | |
| 426 | K | A | -3.3988 | |
| 427 | K | A | -3.3878 | |
| 428 | A | A | -2.8545 | |
| 429 | R | A | -3.4439 | |
| 430 | L | A | -2.0584 | |
| 431 | A | A | -2.4173 | |
| 432 | R | A | -3.1226 | |
| 433 | I | A | -2.1463 | |
| 434 | R | A | -2.9326 | |
| 435 | A | A | -2.0873 | |
| 436 | A | A | -1.9225 | |
| 437 | K | A | -2.8426 | |
| 438 | S | A | -1.9829 | |
| 439 | G | A | -1.3541 | |
| 440 | S | A | -1.1734 | |
| 441 | A | A | -0.7823 | |
| 442 | N | A | -1.4615 | |
| 443 | A | A | -0.8714 | |
| 444 | Y | A | 0.2018 | |
| 445 | M | A | -0.8327 | |
| 446 | Q | A | -2.1985 | |
| 447 | S | A | -1.6197 | |
| 448 | K | A | -2.4609 | |
| 449 | R | A | -2.9821 | |
| 450 | N | A | -2.7735 | |
| 451 | G | A | -2.2340 | |
| 452 | L | A | -1.1245 | |
| 453 | L | A | -0.9544 | |
| 454 | S | A | -1.3672 | |
| 455 | N | A | -1.8966 | |
| 456 | Q | A | -1.5507 | |
| 457 | L | A | -0.2882 | |
| 458 | Q | A | -2.3629 | |
| 459 | S | A | -1.8556 | |
| 460 | S | A | -2.1072 | |
| 461 | E | A | -3.5015 | |
| 462 | D | A | -3.8972 | |
| 463 | E | A | -3.2387 | |
| 464 | P | A | -0.9755 | |
| 465 | A | A | 0.7248 | |
| 466 | F | A | 2.4185 | |
| 467 | I | A | 2.3836 | |
| 468 | S | A | 0.2774 | |
| 469 | K | A | -1.3449 | |
| 470 | S | A | -1.1038 | |
| 471 | G | A | -1.3297 | |
| 472 | S | A | -0.9216 | |
| 473 | S | A | -0.3867 | |
| 474 | F | A | 0.1303 | |
| 475 | E | A | -1.9295 | |
| 476 | T | A | -1.6203 | |
| 477 | Q | A | -1.7817 | |
| 478 | H | A | -1.5640 | |
| 479 | H | A | -1.8339 | |
| 480 | H | A | -1.4585 | |
| 481 | L | A | -0.1571 | |
| 482 | L | A | -0.2319 | |
| 483 | H | A | -1.2026 | |
| 484 | C | A | 0.1084 | |
| 485 | L | A | -0.0659 | |
| 486 | E | A | -1.6831 | |
| 487 | K | A | -2.2661 | |
| 488 | T | A | -1.1216 | |
| 489 | T | A | -1.5372 | |
| 490 | N | A | -2.6109 | |
| 491 | H | A | -2.3762 | |
| 492 | E | A | -2.1439 | |
| 493 | F | A | -0.0813 | |
| 494 | V | A | 0.9282 | |
| 495 | D | A | -1.5631 | |
| 496 | E | A | -2.3476 | |
| 497 | Q | A | -2.1982 | |
| 498 | V | A | -0.0970 | |
| 499 | F | A | -0.3851 | |
| 500 | E | A | -2.5760 | |
| 501 | E | A | -2.2718 | |
| 502 | S | A | -0.7238 | |
| 503 | C | A | 0.0229 | |
| 504 | M | A | 0.0889 | |
| 505 | E | A | -0.8568 | |
| 506 | V | A | 1.2811 | |
| 507 | A | A | 0.2994 | |
| 508 | T | A | 0.1774 | |
| 509 | V | A | 0.8802 | |
| 510 | N | A | -1.2537 | |
| 511 | R | A | -2.2274 | |
| 512 | P | A | -1.5089 | |
| 513 | S | A | -1.3433 | |
| 514 | S | A | -1.2239 | |
| 515 | H | A | -1.3665 | |
| 516 | S | A | -0.7528 | |
| 517 | P | A | -0.3953 | |
| 518 | S | A | 0.1848 | |
| 519 | L | A | 1.0571 | |
| 520 | S | A | 0.0759 | |
| 521 | S | A | -0.9081 | |
| 522 | Q | A | -1.8595 | |
| 523 | Q | A | -1.7121 | |
| 524 | G | A | -0.5023 | |
| 525 | V | A | 1.2182 | |
| 526 | T | A | 0.6606 | |
| 527 | S | A | 0.3952 | |
| 528 | T | A | 0.3200 | |
| 529 | C | A | 0.9398 | |
| 530 | C | A | 0.2908 | |
| 531 | S | A | -1.1391 | |
| 532 | R | A | -3.0780 | |
| 533 | R | A | -3.7645 | |
| 534 | H | A | -3.5819 | |
| 535 | K | A | -3.4176 | |
| 536 | K | A | -2.7112 | |
| 537 | T | A | -0.9181 | |
| 538 | F | A | 0.8712 | |
| 539 | R | A | -0.3370 | |
| 540 | I | A | 1.1856 | |
| 541 | P | A | -0.2655 | |
| 542 | N | A | -1.2215 | |
| 543 | A | A | -0.5575 | |
| 544 | N | A | -0.8444 | |
| 545 | V | A | 0.7853 | |
| 546 | S | A | 0.0653 | |
| 547 | G | A | -0.8197 | |
| 548 | S | A | -1.2567 | |
| 549 | H | A | -2.2593 | |
| 550 | R | A | -2.5215 | |
| 551 | G | A | -1.4431 | |
| 552 | S | A | -0.5320 | |
| 553 | V | A | 0.5334 | |
| 554 | Q | A | -1.0026 | |
| 555 | E | A | -1.3081 | |
| 556 | L | A | 0.7143 | |
| 557 | S | A | 0.2748 | |
| 558 | T | A | 0.9203 | |
| 559 | I | A | 1.8500 | |
| 560 | Q | A | 0.2732 | |
| 561 | I | A | 1.5232 | |
| 562 | R | A | -0.2953 | |
| 563 | C | A | 0.3401 | |
| 564 | V | A | 0.4282 | |
| 565 | E | A | -1.9262 | |
| 566 | R | A | -1.9754 | |
| 567 | T | A | -0.9684 | |
| 568 | P | A | -0.4417 | |
| 569 | L | A | 0.6632 | |
| 570 | S | A | -0.4345 | |
| 571 | N | A | -1.5557 | |
| 572 | S | A | -1.7028 | |
| 573 | R | A | -2.2444 | |
| 574 | S | A | -1.1497 | |
| 575 | S | A | -0.4648 | |
| 576 | L | A | 0.3297 | |
| 577 | N | A | -0.9073 | |
| 578 | A | A | -0.9342 | |
| 579 | K | A | -2.1433 | |
| 580 | M | A | -1.1755 | |
| 581 | E | A | -2.3036 | |
| 582 | E | A | -2.0237 | |
| 583 | C | A | 0.1119 | |
| 584 | V | A | 0.7615 | |
| 585 | K | A | -0.3712 | |
| 586 | L | A | 0.6582 | |
| 587 | N | A | -1.0795 | |
| 588 | C | A | -0.9395 | |
| 589 | E | A | -2.0951 | |
| 590 | Q | A | -1.5847 | |
| 591 | P | A | 0.0918 | |
| 592 | Y | A | 1.4906 | |
| 593 | V | A | 2.1378 | |
| 594 | T | A | 1.4297 | |
| 595 | T | A | 1.4336 | |
| 596 | A | A | 1.7630 | |
| 597 | I | A | 3.1779 | |
| 598 | I | A | 3.4108 | |
| 599 | S | A | 2.2516 | |
| 600 | I | A | 2.5378 | |
| 601 | P | A | 0.7558 | |
| 602 | T | A | 0.3328 | |
| 603 | P | A | 0.1769 | |
| 604 | P | A | 0.4049 | |
| 605 | V | A | 1.4930 | |
| 606 | T | A | 0.3877 | |
| 607 | T | A | -0.3073 | |
| 608 | P | A | -1.3044 | |
| 609 | E | A | -2.5720 | |
| 610 | G | A | -2.6917 | |
| 611 | D | A | -3.7638 | |
| 612 | D | A | -3.7874 | |
| 613 | R | A | -3.6332 | |
| 614 | P | A | -2.6290 | |
| 615 | E | A | -2.7336 | |
| 616 | S | A | -1.5112 | |
| 617 | P | A | -1.4162 | |
| 618 | E | A | -1.6841 | |
| 619 | Y | A | 0.0575 | |
| 620 | S | A | -0.5905 | |
| 621 | G | A | -0.7636 | |
| 622 | G | A | -0.4712 | |
| 623 | N | A | -0.3871 | |
| 624 | I | A | 1.8007 | |
| 625 | V | A | 1.8939 | |
| 626 | R | A | 0.2078 | |
| 627 | V | A | 1.7184 | |
| 628 | S | A | 0.7505 | |
| 629 | A | A | 0.9636 | |
| 630 | L | A | 1.7526 |
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 | -0.0995 | 6.5038 | View | CSV | PDB |
| 4.5 | -0.1676 | 6.4957 | View | CSV | PDB |
| 5.0 | -0.253 | 6.4857 | View | CSV | PDB |
| 5.5 | -0.339 | 6.4755 | View | CSV | PDB |
| 6.0 | -0.4095 | 6.4666 | View | CSV | PDB |
| 6.5 | -0.4546 | 6.4606 | View | CSV | PDB |
| 7.0 | -0.4737 | 6.4576 | View | CSV | PDB |
| 7.5 | -0.4744 | 6.4564 | View | CSV | PDB |
| 8.0 | -0.4647 | 6.456 | View | CSV | PDB |
| 8.5 | -0.4476 | 6.4559 | View | CSV | PDB |
| 9.0 | -0.4222 | 6.4559 | 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