| Chain sequence(s) | MAAGVAAWLPFARAAAIGWMPVASGPMPAPPRQERKRTQDALIVLNVSGTRFQTWQDTLERYPDTLLGSSERDFFYHPETQQYFFDRDPDIFRHILNFYRTGKLHYPRHECISAYDEELAFFGLIPEIIGDCCYEEYKDRRRENAERLQDDADTDNTGESALPTMTARQRVWRAFENPHTSTMALVFYYVTGFFIAVSVIANVVETVPCGSSPGHIKELPCGERYAVAFFCLDTACVMIFTVEYLLRLAAAPSRYRFVRSVMSIIDVVAILPYYIGLVMTDNEDVSGAFVTLRVFRVFRIFKFSRHSQGLRILGYTLKSCASELGFLLFSLTMAIIIFATVMFYAEKGSSASKFTSIPAAFWYTIVTMTTLGYGDMVPKTIAGKIFGSICSLSGVLVIALPVPVIVSNFSRIYHQNQRADKRRAQKKARLARIRAAKSGSANAYMQSKRNGLLSNQLQSSEDEPAFVSKSGSSFETQHHHLLHCLEKTTNHEFVDEQVFEESCMEVATVNRPSSHSPSLSSQQGVTSTCCSRRHKKSFRIPNANVSGSHRGSVQELSTIQIRCVERTPLSNSRSSLNAKMEECVKLNCEQPYVTTAIISIPTPPVTTPEGDDRPESPEYSGGNIVRVSAL 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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:24:03)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/636fffc8b3f2bc/tmp/folded.pdb (00:24:03)
[INFO] Main: Simulation completed successfully. (00:36:58)
|
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 | 1.1633 | |
| 2 | A | A | 0.7616 | |
| 3 | A | A | 0.6291 | |
| 4 | G | A | 0.7408 | |
| 5 | V | A | 1.6074 | |
| 6 | A | A | 1.3491 | |
| 7 | A | A | 1.3726 | |
| 8 | W | A | 2.2000 | |
| 9 | L | A | 1.6614 | |
| 10 | P | A | 0.8792 | |
| 11 | F | A | 2.1784 | |
| 12 | A | A | 0.8959 | |
| 13 | R | A | -0.2679 | |
| 14 | A | A | 0.7888 | |
| 15 | A | A | 1.0075 | |
| 16 | A | A | 1.1446 | |
| 17 | I | A | 2.4179 | |
| 18 | G | A | 1.3793 | |
| 19 | W | A | 2.4387 | |
| 20 | M | A | 2.5575 | |
| 21 | P | A | 1.6792 | |
| 22 | V | A | 2.4186 | |
| 23 | A | A | 1.2927 | |
| 24 | S | A | 0.4126 | |
| 25 | G | A | -0.0759 | |
| 26 | P | A | -0.0694 | |
| 27 | M | A | 0.6437 | |
| 28 | P | A | 0.0384 | |
| 29 | A | A | -0.3274 | |
| 30 | P | A | -0.9137 | |
| 31 | P | A | -1.9009 | |
| 32 | R | A | -3.4437 | |
| 33 | Q | A | -3.9606 | |
| 34 | E | A | -4.6542 | |
| 35 | R | A | -4.7742 | |
| 36 | K | A | -4.3643 | |
| 37 | R | A | -4.3334 | |
| 38 | T | A | -2.9422 | |
| 39 | Q | A | -2.7947 | |
| 40 | D | A | -2.3609 | |
| 41 | A | A | -0.6023 | |
| 42 | L | A | 0.4192 | |
| 43 | I | A | 0.0000 | |
| 44 | V | A | -0.1805 | |
| 45 | L | A | 0.0000 | |
| 46 | N | A | 0.0000 | |
| 47 | V | A | 0.0000 | |
| 48 | S | A | -1.2781 | |
| 49 | G | A | -0.9816 | |
| 50 | T | A | -1.2622 | |
| 51 | R | A | -1.9051 | |
| 52 | F | A | -1.3802 | |
| 53 | Q | A | -1.0148 | |
| 54 | T | A | 0.0000 | |
| 55 | W | A | -0.2805 | |
| 56 | Q | A | -1.6442 | |
| 57 | D | A | -3.1404 | |
| 58 | T | A | -2.0196 | |
| 59 | L | A | 0.0000 | |
| 60 | E | A | -2.6975 | |
| 61 | R | A | -3.1889 | |
| 62 | Y | A | -1.8527 | |
| 63 | P | A | -2.0055 | |
| 64 | D | A | -2.4456 | |
| 65 | T | A | 0.0000 | |
| 66 | L | A | -1.0939 | |
| 67 | L | A | 0.0000 | |
| 68 | G | A | -1.9605 | |
| 69 | S | A | -1.9501 | |
| 70 | S | A | -1.6368 | |
| 71 | E | A | -2.0029 | |
| 72 | R | A | 0.0000 | |
| 73 | D | A | -1.2152 | |
| 74 | F | A | 0.9505 | |
| 75 | F | A | 0.7106 | |
| 76 | Y | A | 0.1285 | |
| 77 | H | A | -0.8130 | |
| 78 | P | A | -1.6069 | |
| 79 | E | A | -2.3955 | |
| 80 | T | A | -1.4898 | |
| 81 | Q | A | -1.7285 | |
| 82 | Q | A | -0.9136 | |
| 83 | Y | A | 0.0000 | |
| 84 | F | A | 0.7744 | |
| 85 | F | A | 0.0000 | |
| 86 | D | A | -1.9259 | |
| 87 | R | A | -1.7817 | |
| 88 | D | A | -2.1322 | |
| 89 | P | A | -2.2250 | |
| 90 | D | A | -2.5412 | |
| 91 | I | A | 0.0000 | |
| 92 | F | A | 0.0000 | |
| 93 | R | A | -1.9518 | |
| 94 | H | A | -1.9153 | |
| 95 | I | A | 0.0000 | |
| 96 | L | A | 0.0000 | |
| 97 | N | A | -2.2859 | |
| 98 | F | A | 0.0000 | |
| 99 | Y | A | 0.0000 | |
| 100 | R | A | -2.6660 | |
| 101 | T | A | -1.7184 | |
| 102 | G | A | -1.7118 | |
| 103 | K | A | -2.3684 | |
| 104 | L | A | 0.0000 | |
| 105 | H | A | -1.4472 | |
| 106 | Y | A | 0.0000 | |
| 107 | P | A | -1.7191 | |
| 108 | R | A | -2.6111 | |
| 109 | H | A | -2.0209 | |
| 110 | E | A | -1.5403 | |
| 111 | C | A | -0.4338 | |
| 112 | I | A | 0.0000 | |
| 113 | S | A | -0.8605 | |
| 114 | A | A | -0.7832 | |
| 115 | Y | A | 0.0000 | |
| 116 | D | A | -0.9890 | |
| 117 | E | A | -1.8876 | |
| 118 | E | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | A | A | -0.0912 | |
| 121 | F | A | -0.1271 | |
| 122 | F | A | 0.0000 | |
| 123 | G | A | -0.1022 | |
| 124 | L | A | 0.0000 | |
| 125 | I | A | 1.5548 | |
| 126 | P | A | 0.1291 | |
| 127 | E | A | -1.0642 | |
| 128 | I | A | -0.0461 | |
| 129 | I | A | 0.0000 | |
| 130 | G | A | -1.5213 | |
| 131 | D | A | -2.1204 | |
| 132 | C | A | -0.7217 | |
| 133 | C | A | -1.2653 | |
| 134 | Y | A | -1.9892 | |
| 135 | E | A | -3.0315 | |
| 136 | E | A | -2.8631 | |
| 137 | Y | A | 0.0000 | |
| 138 | K | A | -3.8921 | |
| 139 | D | A | -3.8439 | |
| 140 | R | A | -3.7849 | |
| 141 | R | A | -4.0989 | |
| 142 | R | A | -4.3746 | |
| 143 | E | A | -4.1598 | |
| 144 | N | A | -2.9691 | |
| 145 | A | A | -2.5520 | |
| 146 | E | A | -3.4204 | |
| 147 | R | A | -3.2595 | |
| 148 | L | A | -1.1865 | |
| 149 | Q | A | -2.5675 | |
| 150 | D | A | -2.6491 | |
| 151 | D | A | -2.3016 | |
| 152 | A | A | -2.5559 | |
| 153 | D | A | -3.3570 | |
| 154 | T | A | -2.9720 | |
| 155 | D | A | -3.9185 | |
| 156 | N | A | -3.5114 | |
| 157 | T | A | -2.3746 | |
| 158 | G | A | -2.5352 | |
| 159 | E | A | -2.7297 | |
| 160 | S | A | -1.3335 | |
| 161 | A | A | -0.0137 | |
| 162 | L | A | 1.0702 | |
| 163 | P | A | 0.4823 | |
| 164 | T | A | 0.0747 | |
| 165 | M | A | -0.3207 | |
| 166 | T | A | -0.8328 | |
| 167 | A | A | -1.1554 | |
| 168 | R | A | -1.6712 | |
| 169 | Q | A | -1.9610 | |
| 170 | R | A | -2.4761 | |
| 171 | V | A | -1.1087 | |
| 172 | W | A | -1.7584 | |
| 173 | R | A | -3.0868 | |
| 174 | A | A | -1.7065 | |
| 175 | F | A | -1.2274 | |
| 176 | E | A | -2.6507 | |
| 177 | N | A | -2.6458 | |
| 178 | P | A | -0.9019 | |
| 179 | H | A | -1.5202 | |
| 180 | T | A | -1.4209 | |
| 181 | S | A | -0.4121 | |
| 182 | T | A | 0.7222 | |
| 183 | M | A | 1.6455 | |
| 184 | A | A | 0.0000 | |
| 185 | L | A | 1.6036 | |
| 186 | V | A | 2.6329 | |
| 187 | F | A | 2.5561 | |
| 188 | Y | A | 1.9622 | |
| 189 | Y | A | 3.0810 | |
| 190 | V | A | 3.0019 | |
| 191 | T | A | 0.0000 | |
| 192 | G | A | 2.2685 | |
| 193 | F | A | 3.0678 | |
| 194 | F | A | 2.2574 | |
| 195 | I | A | 0.0000 | |
| 196 | A | A | 1.8964 | |
| 197 | V | A | 2.0570 | |
| 198 | S | A | 0.0000 | |
| 199 | V | A | 2.5041 | |
| 200 | I | A | 3.1618 | |
| 201 | A | A | 1.9502 | |
| 202 | N | A | 1.9778 | |
| 203 | V | A | 3.1601 | |
| 204 | V | A | 2.3784 | |
| 205 | E | A | 0.7629 | |
| 206 | T | A | 0.8457 | |
| 207 | V | A | 1.4131 | |
| 208 | P | A | -0.6726 | |
| 209 | C | A | -0.5207 | |
| 210 | G | A | -1.1204 | |
| 211 | S | A | -1.2360 | |
| 212 | S | A | -1.1525 | |
| 213 | P | A | -0.5309 | |
| 214 | G | A | -0.7227 | |
| 215 | H | A | -0.8803 | |
| 216 | I | A | 0.3163 | |
| 217 | K | A | -1.8939 | |
| 218 | E | A | -2.1720 | |
| 219 | L | A | -1.5280 | |
| 220 | P | A | -1.0191 | |
| 221 | C | A | 0.0000 | |
| 222 | G | A | -0.1723 | |
| 223 | E | A | -2.0125 | |
| 224 | R | A | -1.7308 | |
| 225 | Y | A | 0.3757 | |
| 226 | A | A | 0.8741 | |
| 227 | V | A | 2.5882 | |
| 228 | A | A | 1.8669 | |
| 229 | F | A | 1.8906 | |
| 230 | F | A | 3.2609 | |
| 231 | C | A | 2.3481 | |
| 232 | L | A | 1.9063 | |
| 233 | D | A | 0.0000 | |
| 234 | T | A | 1.2024 | |
| 235 | A | A | 1.0017 | |
| 236 | C | A | 0.0000 | |
| 237 | V | A | 0.0000 | |
| 238 | M | A | 1.2191 | |
| 239 | I | A | 1.6356 | |
| 240 | F | A | 0.0000 | |
| 241 | T | A | 1.7212 | |
| 242 | V | A | 2.6729 | |
| 243 | E | A | 0.0000 | |
| 244 | Y | A | 0.0000 | |
| 245 | L | A | 2.2592 | |
| 246 | L | A | 1.7398 | |
| 247 | R | A | 0.3691 | |
| 248 | L | A | 0.8311 | |
| 249 | A | A | 0.1784 | |
| 250 | A | A | 0.0000 | |
| 251 | A | A | 0.0000 | |
| 252 | P | A | -1.0198 | |
| 253 | S | A | -1.1089 | |
| 254 | R | A | -1.7881 | |
| 255 | Y | A | -0.6010 | |
| 256 | R | A | -2.1122 | |
| 257 | F | A | -0.6563 | |
| 258 | V | A | 0.2677 | |
| 259 | R | A | -1.1319 | |
| 260 | S | A | 0.3928 | |
| 261 | V | A | 1.9938 | |
| 262 | M | A | 1.6013 | |
| 263 | S | A | 0.0000 | |
| 264 | I | A | 2.5258 | |
| 265 | I | A | 2.5015 | |
| 266 | D | A | 0.0000 | |
| 267 | V | A | 1.6594 | |
| 268 | V | A | 1.9758 | |
| 269 | A | A | 0.0000 | |
| 270 | I | A | 0.0000 | |
| 271 | L | A | 1.6651 | |
| 272 | P | A | 0.0000 | |
| 273 | Y | A | 0.0000 | |
| 274 | Y | A | 2.0689 | |
| 275 | I | A | 2.2022 | |
| 276 | G | A | 1.8521 | |
| 277 | L | A | 2.6491 | |
| 278 | V | A | 2.7146 | |
| 279 | M | A | 1.3059 | |
| 280 | T | A | -0.2754 | |
| 281 | D | A | -2.4890 | |
| 282 | N | A | -3.0494 | |
| 283 | E | A | -3.5664 | |
| 284 | D | A | -3.0782 | |
| 285 | V | A | -1.4784 | |
| 286 | S | A | -1.3722 | |
| 287 | G | A | -0.4710 | |
| 288 | A | A | -0.0157 | |
| 289 | F | A | 0.7248 | |
| 290 | V | A | 1.8106 | |
| 291 | T | A | 1.1457 | |
| 292 | L | A | 1.2061 | |
| 293 | R | A | 0.6271 | |
| 294 | V | A | 2.3109 | |
| 295 | F | A | 2.1643 | |
| 296 | R | A | 1.4525 | |
| 297 | V | A | 2.7886 | |
| 298 | F | A | 2.6742 | |
| 299 | R | A | 0.0000 | |
| 300 | I | A | 2.5231 | |
| 301 | F | A | 2.5300 | |
| 302 | K | A | 0.0000 | |
| 303 | F | A | 1.7162 | |
| 304 | S | A | 0.0000 | |
| 305 | R | A | 0.0000 | |
| 306 | H | A | 0.3044 | |
| 307 | S | A | -0.3057 | |
| 308 | Q | A | -1.0602 | |
| 309 | G | A | -0.2674 | |
| 310 | L | A | 0.7653 | |
| 311 | R | A | 0.1260 | |
| 312 | I | A | 0.4433 | |
| 313 | L | A | 1.1253 | |
| 314 | G | A | 0.5654 | |
| 315 | Y | A | 1.0941 | |
| 316 | T | A | 0.0000 | |
| 317 | L | A | 0.5410 | |
| 318 | K | A | -0.8485 | |
| 319 | S | A | -0.4462 | |
| 320 | C | A | 0.0000 | |
| 321 | A | A | -0.4086 | |
| 322 | S | A | -0.3021 | |
| 323 | E | A | 0.2105 | |
| 324 | L | A | 0.8884 | |
| 325 | G | A | 1.4380 | |
| 326 | F | A | 2.5788 | |
| 327 | L | A | 2.5457 | |
| 328 | L | A | 3.0940 | |
| 329 | F | A | 3.3802 | |
| 330 | S | A | 2.2675 | |
| 331 | L | A | 2.1176 | |
| 332 | T | A | 2.2478 | |
| 333 | M | A | 2.0825 | |
| 334 | A | A | 1.8804 | |
| 335 | I | A | 0.0000 | |
| 336 | I | A | 2.3965 | |
| 337 | I | A | 2.9125 | |
| 338 | F | A | 2.4433 | |
| 339 | A | A | 0.0000 | |
| 340 | T | A | 1.8238 | |
| 341 | V | A | 1.8707 | |
| 342 | M | A | 0.0000 | |
| 343 | F | A | 0.5152 | |
| 344 | Y | A | 1.0097 | |
| 345 | A | A | 0.5884 | |
| 346 | E | A | 0.0000 | |
| 347 | K | A | -1.6074 | |
| 348 | G | A | -1.2587 | |
| 349 | S | A | -1.4254 | |
| 350 | S | A | -1.0510 | |
| 351 | A | A | -1.0365 | |
| 352 | S | A | -1.3959 | |
| 353 | K | A | -1.9720 | |
| 354 | F | A | 0.0000 | |
| 355 | T | A | -0.8084 | |
| 356 | S | A | -0.1181 | |
| 357 | I | A | 1.2685 | |
| 358 | P | A | 0.4488 | |
| 359 | A | A | 0.1863 | |
| 360 | A | A | 0.0000 | |
| 361 | F | A | 1.5822 | |
| 362 | W | A | 1.1261 | |
| 363 | Y | A | 0.0000 | |
| 364 | T | A | 0.0000 | |
| 365 | I | A | 1.4379 | |
| 366 | V | A | 0.0000 | |
| 367 | T | A | 1.2373 | |
| 368 | M | A | 0.0000 | |
| 369 | T | A | 0.8924 | |
| 370 | T | A | 1.2101 | |
| 371 | L | A | 1.6933 | |
| 372 | G | A | 0.8528 | |
| 373 | Y | A | 1.1267 | |
| 374 | G | A | 0.1178 | |
| 375 | D | A | -0.8621 | |
| 376 | M | A | -0.1713 | |
| 377 | V | A | 0.5767 | |
| 378 | P | A | 0.0549 | |
| 379 | K | A | -1.3477 | |
| 380 | T | A | 0.1094 | |
| 381 | I | A | 1.8128 | |
| 382 | A | A | 1.4280 | |
| 383 | G | A | 0.0000 | |
| 384 | K | A | 0.6902 | |
| 385 | I | A | 2.4205 | |
| 386 | F | A | 2.3916 | |
| 387 | G | A | 0.0000 | |
| 388 | S | A | 1.3149 | |
| 389 | I | A | 2.2152 | |
| 390 | C | A | 0.0000 | |
| 391 | S | A | 1.6989 | |
| 392 | L | A | 2.5795 | |
| 393 | S | A | 1.8757 | |
| 394 | G | A | 0.0000 | |
| 395 | V | A | 2.5238 | |
| 396 | L | A | 2.6555 | |
| 397 | V | A | 2.0963 | |
| 398 | I | A | 2.0606 | |
| 399 | A | A | 2.0927 | |
| 400 | L | A | 2.7159 | |
| 401 | P | A | 2.2909 | |
| 402 | V | A | 2.0238 | |
| 403 | P | A | 1.8986 | |
| 404 | V | A | 2.4317 | |
| 405 | I | A | 1.6701 | |
| 406 | V | A | 2.0730 | |
| 407 | S | A | 0.7235 | |
| 408 | N | A | -0.2309 | |
| 409 | F | A | 0.5526 | |
| 410 | S | A | -0.5279 | |
| 411 | R | A | -2.1307 | |
| 412 | I | A | -0.8616 | |
| 413 | Y | A | -0.9119 | |
| 414 | H | A | -2.6969 | |
| 415 | Q | A | -3.1187 | |
| 416 | N | A | -2.3437 | |
| 417 | Q | A | -3.2890 | |
| 418 | R | A | -3.9951 | |
| 419 | A | A | -3.7527 | |
| 420 | D | A | -3.4255 | |
| 421 | K | A | -4.2759 | |
| 422 | R | A | -4.0636 | |
| 423 | R | A | -3.9883 | |
| 424 | A | A | -3.2031 | |
| 425 | Q | A | -3.4416 | |
| 426 | K | A | -3.3594 | |
| 427 | K | A | -3.3862 | |
| 428 | A | A | -2.7894 | |
| 429 | R | A | -3.2025 | |
| 430 | L | A | -2.1723 | |
| 431 | A | A | -2.4290 | |
| 432 | R | A | -3.0527 | |
| 433 | I | A | -2.1114 | |
| 434 | R | A | -2.9100 | |
| 435 | A | A | -2.0646 | |
| 436 | A | A | -1.9086 | |
| 437 | K | A | -2.8056 | |
| 438 | S | A | -2.0069 | |
| 439 | G | A | -1.4715 | |
| 440 | S | A | -1.4696 | |
| 441 | A | A | -1.0510 | |
| 442 | N | A | -1.8064 | |
| 443 | A | A | -1.3069 | |
| 444 | Y | A | -0.6892 | |
| 445 | M | A | -1.5661 | |
| 446 | Q | A | -2.5601 | |
| 447 | S | A | -2.2673 | |
| 448 | K | A | -2.7232 | |
| 449 | R | A | -2.9365 | |
| 450 | N | A | -2.6096 | |
| 451 | G | A | -1.5187 | |
| 452 | L | A | -0.3467 | |
| 453 | L | A | -0.3396 | |
| 454 | S | A | -0.8911 | |
| 455 | N | A | -1.5015 | |
| 456 | Q | A | -0.9797 | |
| 457 | L | A | -0.2306 | |
| 458 | Q | A | -1.9641 | |
| 459 | S | A | -1.6186 | |
| 460 | S | A | -2.0328 | |
| 461 | E | A | -3.2320 | |
| 462 | D | A | -3.6419 | |
| 463 | E | A | -2.9643 | |
| 464 | P | A | -0.9154 | |
| 465 | A | A | 0.6276 | |
| 466 | F | A | 2.2912 | |
| 467 | V | A | 2.0400 | |
| 468 | S | A | 0.2474 | |
| 469 | K | A | -1.3581 | |
| 470 | S | A | -1.2699 | |
| 471 | G | A | -1.7378 | |
| 472 | S | A | -1.5913 | |
| 473 | S | A | -1.2082 | |
| 474 | F | A | -1.7287 | |
| 475 | E | A | -2.8395 | |
| 476 | T | A | -2.2199 | |
| 477 | Q | A | -2.4241 | |
| 478 | H | A | -2.0970 | |
| 479 | H | A | -2.1153 | |
| 480 | H | A | -1.6862 | |
| 481 | L | A | -0.2188 | |
| 482 | L | A | -0.1675 | |
| 483 | H | A | -1.4485 | |
| 484 | C | A | -0.1400 | |
| 485 | L | A | -0.1820 | |
| 486 | E | A | -1.8784 | |
| 487 | K | A | -2.3493 | |
| 488 | T | A | -1.1302 | |
| 489 | T | A | -1.5556 | |
| 490 | N | A | -2.4702 | |
| 491 | H | A | -1.5232 | |
| 492 | E | A | -1.5519 | |
| 493 | F | A | 0.2227 | |
| 494 | V | A | 0.9328 | |
| 495 | D | A | -1.0755 | |
| 496 | E | A | -1.8100 | |
| 497 | Q | A | -2.1055 | |
| 498 | V | A | -0.2194 | |
| 499 | F | A | -0.7146 | |
| 500 | E | A | -2.4886 | |
| 501 | E | A | -2.2447 | |
| 502 | S | A | -0.9912 | |
| 503 | C | A | -0.2475 | |
| 504 | M | A | 0.0506 | |
| 505 | E | A | -0.9684 | |
| 506 | V | A | 1.0795 | |
| 507 | A | A | 0.3558 | |
| 508 | T | A | 0.2598 | |
| 509 | V | A | 0.8641 | |
| 510 | N | A | -1.2514 | |
| 511 | R | A | -2.1876 | |
| 512 | P | A | -1.3570 | |
| 513 | S | A | -1.3295 | |
| 514 | S | A | -1.1145 | |
| 515 | H | A | -1.3331 | |
| 516 | S | A | -0.8159 | |
| 517 | P | A | -0.3900 | |
| 518 | S | A | 0.2139 | |
| 519 | L | A | 1.2165 | |
| 520 | S | A | 0.1340 | |
| 521 | S | A | -0.7951 | |
| 522 | Q | A | -2.0818 | |
| 523 | Q | A | -1.6928 | |
| 524 | G | A | -0.3778 | |
| 525 | V | A | 1.1546 | |
| 526 | T | A | 0.5861 | |
| 527 | S | A | 0.2721 | |
| 528 | T | A | 0.3163 | |
| 529 | C | A | 0.7717 | |
| 530 | C | A | 0.5892 | |
| 531 | S | A | -1.1130 | |
| 532 | R | A | -3.1104 | |
| 533 | R | A | -3.8818 | |
| 534 | H | A | -3.7298 | |
| 535 | K | A | -3.5240 | |
| 536 | K | A | -2.8075 | |
| 537 | S | A | -0.9811 | |
| 538 | F | A | 0.7633 | |
| 539 | R | A | -0.4175 | |
| 540 | I | A | 1.2028 | |
| 541 | P | A | -0.2920 | |
| 542 | N | A | -1.2705 | |
| 543 | A | A | -0.5662 | |
| 544 | N | A | -0.8573 | |
| 545 | V | A | 0.7657 | |
| 546 | S | A | 0.0635 | |
| 547 | G | A | -0.5697 | |
| 548 | S | A | -1.2769 | |
| 549 | H | A | -2.2328 | |
| 550 | R | A | -2.4141 | |
| 551 | G | A | -1.4432 | |
| 552 | S | A | -0.7999 | |
| 553 | V | A | 0.3620 | |
| 554 | Q | A | -0.9537 | |
| 555 | E | A | -1.0926 | |
| 556 | L | A | 0.7211 | |
| 557 | S | A | 0.1775 | |
| 558 | T | A | 0.7866 | |
| 559 | I | A | 1.8573 | |
| 560 | Q | A | 0.1954 | |
| 561 | I | A | 1.3679 | |
| 562 | R | A | -0.6518 | |
| 563 | C | A | -0.1825 | |
| 564 | V | A | -0.7520 | |
| 565 | E | A | -2.4865 | |
| 566 | R | A | -2.3241 | |
| 567 | T | A | -1.1051 | |
| 568 | P | A | -0.4062 | |
| 569 | L | A | 0.7483 | |
| 570 | S | A | -0.3801 | |
| 571 | N | A | -1.6631 | |
| 572 | S | A | -1.6971 | |
| 573 | R | A | -2.2631 | |
| 574 | S | A | -1.1675 | |
| 575 | S | A | -0.3440 | |
| 576 | L | A | 0.3793 | |
| 577 | N | A | -0.9225 | |
| 578 | A | A | -0.9912 | |
| 579 | K | A | -2.1297 | |
| 580 | M | A | -1.1326 | |
| 581 | E | A | -2.2655 | |
| 582 | E | A | -2.0369 | |
| 583 | C | A | 0.2458 | |
| 584 | V | A | 0.8417 | |
| 585 | K | A | -0.3559 | |
| 586 | L | A | 0.6653 | |
| 587 | N | A | -1.0666 | |
| 588 | C | A | -0.8321 | |
| 589 | E | A | -2.1214 | |
| 590 | Q | A | -1.6060 | |
| 591 | P | A | 0.0638 | |
| 592 | Y | A | 1.6100 | |
| 593 | V | A | 2.1486 | |
| 594 | T | A | 1.0605 | |
| 595 | T | A | 0.8582 | |
| 596 | A | A | 1.0880 | |
| 597 | I | A | 1.9008 | |
| 598 | I | A | 2.3676 | |
| 599 | S | A | 1.7775 | |
| 600 | I | A | 1.7839 | |
| 601 | P | A | 0.6220 | |
| 602 | T | A | 0.3455 | |
| 603 | P | A | 0.1684 | |
| 604 | P | A | 0.4056 | |
| 605 | V | A | 1.5010 | |
| 606 | T | A | 0.4038 | |
| 607 | T | A | -0.2117 | |
| 608 | P | A | -1.3259 | |
| 609 | E | A | -2.5988 | |
| 610 | G | A | -2.9672 | |
| 611 | D | A | -3.7222 | |
| 612 | D | A | -3.7366 | |
| 613 | R | A | -3.6361 | |
| 614 | P | A | -2.4826 | |
| 615 | E | A | -2.4833 | |
| 616 | S | A | -1.6975 | |
| 617 | P | A | -1.3980 | |
| 618 | E | A | -1.4024 | |
| 619 | Y | A | 0.1057 | |
| 620 | S | A | -0.3706 | |
| 621 | G | A | -0.5528 | |
| 622 | G | A | -0.5131 | |
| 623 | N | A | -0.3784 | |
| 624 | I | A | 1.7898 | |
| 625 | V | A | 1.8866 | |
| 626 | R | A | 0.2057 | |
| 627 | V | A | 1.5909 | |
| 628 | S | A | 0.7623 | |
| 629 | A | A | 0.9672 | |
| 630 | L | A | 1.7044 |
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 | -0.153 | 6.6998 | View | CSV | PDB |
| 4.5 | -0.2208 | 6.6792 | View | CSV | PDB |
| 5.0 | -0.3063 | 6.6524 | View | CSV | PDB |
| 5.5 | -0.3925 | 6.6239 | View | CSV | PDB |
| 6.0 | -0.4635 | 6.5981 | View | CSV | PDB |
| 6.5 | -0.5095 | 6.5794 | View | CSV | PDB |
| 7.0 | -0.5294 | 6.5692 | View | CSV | PDB |
| 7.5 | -0.5302 | 6.5651 | View | CSV | PDB |
| 8.0 | -0.5199 | 6.5636 | View | CSV | PDB |
| 8.5 | -0.5019 | 6.5632 | View | CSV | PDB |
| 9.0 | -0.4755 | 6.563 | 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