| Chain sequence(s) | MIPPQEASARRREIEDKLKQEEETLSFIRDSLEKSDQLTKNMVSILSSFESRLMKLENSIIPVHKQTENLQRLQENVEKTLSCLDHVISYYHVASDTEKIIREGPTGRLEEYLGSMAKIQKAVEYFQDNSPDSPELNKVKLLFERGKESLESEFRSLMTRHSKVISPVLVLDLISADDELEVQEDVVLEHLPESVLQDVIRISRWLVEYGRNQDFMNVYYQIRSSQLDRSIKGLKEHFRKSSSSSGVPYSPAIPNKRKDTPTKKPIKRPGRDDMLDVETDAYIHCVSAFVRLAQSEYQLLMGIIPEHHQKKTFDSLIQDALDGLMLEGENIVSAARKAIIRHDFSTVLTVFPILRHLKQTKPEFDQVLQGTAASTKNKLPGLITSMETIGAKALEDFADNIKNDPDKEYNMPKDGTVHELTSNAILFLQQLLDFQETAGAMLASQETSSSATSYNSEFSKRLLSTYICKVLGNLQLNLLSKSKVYEDPALSAIFLHNNYNYILKSLEKSELIQLVAVTQKTAERSYREHIEQQIQTYQRSWLKVTDYIAEKNLPVFQPGVKLRDKERQMIKERFKGFNDGLEELCKIQKAWAIPDTEQRDKIRQAQKSIVKETYGAFLHRYSSVPFTKNPEKYIKYRVEQVGDMIDRLFDTSA 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 (00:28:51)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/703e22a237b365/tmp/folded.pdb (00:28:51)
[INFO] Main: Simulation completed successfully. (00:39:53)
|
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 | 1.9843 | |
| 2 | I | A | 1.8772 | |
| 3 | P | A | 0.1493 | |
| 4 | P | A | -0.7445 | |
| 5 | Q | A | -2.1623 | |
| 6 | E | A | -3.0008 | |
| 7 | A | A | -2.2825 | |
| 8 | S | A | -3.0882 | |
| 9 | A | A | -3.4805 | |
| 10 | R | A | -4.6006 | |
| 11 | R | A | -4.7733 | |
| 12 | R | A | -4.9594 | |
| 13 | E | A | -4.7635 | |
| 14 | I | A | -3.0874 | |
| 15 | E | A | -4.2420 | |
| 16 | D | A | -5.2868 | |
| 17 | K | A | -4.7126 | |
| 18 | L | A | -3.1330 | |
| 19 | K | A | -4.7891 | |
| 20 | Q | A | -4.7502 | |
| 21 | E | A | -4.3763 | |
| 22 | E | A | -4.0783 | |
| 23 | E | A | -3.5499 | |
| 24 | T | A | -1.7946 | |
| 25 | L | A | -1.3208 | |
| 26 | S | A | -1.1479 | |
| 27 | F | A | 0.4315 | |
| 28 | I | A | 0.2524 | |
| 29 | R | A | -1.8754 | |
| 30 | D | A | -2.4282 | |
| 31 | S | A | -1.4372 | |
| 32 | L | A | -1.0515 | |
| 33 | E | A | -3.3966 | |
| 34 | K | A | -3.5123 | |
| 35 | S | A | -2.4071 | |
| 36 | D | A | -3.2411 | |
| 37 | Q | A | -2.7513 | |
| 38 | L | A | -0.6323 | |
| 39 | T | A | -1.0097 | |
| 40 | K | A | -1.6412 | |
| 41 | N | A | -0.4069 | |
| 42 | M | A | 1.2498 | |
| 43 | V | A | 2.1750 | |
| 44 | S | A | 1.2305 | |
| 45 | I | A | 2.3034 | |
| 46 | L | A | 2.1518 | |
| 47 | S | A | 0.8588 | |
| 48 | S | A | 0.8030 | |
| 49 | F | A | 1.0285 | |
| 50 | E | A | -1.0156 | |
| 51 | S | A | -1.1382 | |
| 52 | R | A | -2.0438 | |
| 53 | L | A | -1.1346 | |
| 54 | M | A | -1.2050 | |
| 55 | K | A | -2.3805 | |
| 56 | L | A | -1.1164 | |
| 57 | E | A | -1.2113 | |
| 58 | N | A | -1.4752 | |
| 59 | S | A | -0.3176 | |
| 60 | I | A | 0.2606 | |
| 61 | I | A | 0.4535 | |
| 62 | P | A | -0.4363 | |
| 63 | V | A | 0.2194 | |
| 64 | H | A | -1.1908 | |
| 65 | K | A | -2.4597 | |
| 66 | Q | A | -2.1038 | |
| 67 | T | A | -1.7302 | |
| 68 | E | A | -3.3333 | |
| 69 | N | A | -2.3894 | |
| 70 | L | A | -1.1209 | |
| 71 | Q | A | -2.4341 | |
| 72 | R | A | -2.8943 | |
| 73 | L | A | -0.8347 | |
| 74 | Q | A | -2.2408 | |
| 75 | E | A | -2.9279 | |
| 76 | N | A | -2.2376 | |
| 77 | V | A | -0.5170 | |
| 78 | E | A | -2.0734 | |
| 79 | K | A | -2.1738 | |
| 80 | T | A | -0.5555 | |
| 81 | L | A | 0.4212 | |
| 82 | S | A | -0.3957 | |
| 83 | C | A | 0.5765 | |
| 84 | L | A | 0.9804 | |
| 85 | D | A | -0.7280 | |
| 86 | H | A | -0.2633 | |
| 87 | V | A | 0.7609 | |
| 88 | I | A | 0.6963 | |
| 89 | S | A | -0.3003 | |
| 90 | Y | A | -0.3990 | |
| 91 | Y | A | 0.2395 | |
| 92 | H | A | -0.9120 | |
| 93 | V | A | 0.0000 | |
| 94 | A | A | -1.5091 | |
| 95 | S | A | -1.6926 | |
| 96 | D | A | -2.3012 | |
| 97 | T | A | 0.0000 | |
| 98 | E | A | -2.6618 | |
| 99 | K | A | -3.0728 | |
| 100 | I | A | -2.3653 | |
| 101 | I | A | 0.0000 | |
| 102 | R | A | -3.4411 | |
| 103 | E | A | -3.1404 | |
| 104 | G | A | -2.0823 | |
| 105 | P | A | 0.0000 | |
| 106 | T | A | -0.9805 | |
| 107 | G | A | -1.1866 | |
| 108 | R | A | -1.8985 | |
| 109 | L | A | 0.0000 | |
| 110 | E | A | -3.1355 | |
| 111 | E | A | -2.9074 | |
| 112 | Y | A | 0.0000 | |
| 113 | L | A | -1.4474 | |
| 114 | G | A | -1.7320 | |
| 115 | S | A | 0.0000 | |
| 116 | M | A | 0.0000 | |
| 117 | A | A | -0.9266 | |
| 118 | K | A | -1.6567 | |
| 119 | I | A | 0.0000 | |
| 120 | Q | A | -1.6104 | |
| 121 | K | A | -2.2882 | |
| 122 | A | A | 0.0000 | |
| 123 | V | A | -2.3631 | |
| 124 | E | A | -3.1514 | |
| 125 | Y | A | -2.0525 | |
| 126 | F | A | 0.0000 | |
| 127 | Q | A | -3.3577 | |
| 128 | D | A | -3.2283 | |
| 129 | N | A | -2.8541 | |
| 130 | S | A | -2.2792 | |
| 131 | P | A | -2.5859 | |
| 132 | D | A | -2.5541 | |
| 133 | S | A | -2.0837 | |
| 134 | P | A | -1.9786 | |
| 135 | E | A | -2.0880 | |
| 136 | L | A | 0.0000 | |
| 137 | N | A | -2.5620 | |
| 138 | K | A | -2.2874 | |
| 139 | V | A | 0.0000 | |
| 140 | K | A | -1.6747 | |
| 141 | L | A | -0.2002 | |
| 142 | L | A | 0.0000 | |
| 143 | F | A | 0.0000 | |
| 144 | E | A | -1.4674 | |
| 145 | R | A | -1.7666 | |
| 146 | G | A | 0.0000 | |
| 147 | K | A | -1.7021 | |
| 148 | E | A | -2.7036 | |
| 149 | S | A | 0.0000 | |
| 150 | L | A | 0.0000 | |
| 151 | E | A | -1.6452 | |
| 152 | S | A | -1.2607 | |
| 153 | E | A | 0.0000 | |
| 154 | F | A | 0.0000 | |
| 155 | R | A | -1.5557 | |
| 156 | S | A | -1.3959 | |
| 157 | L | A | 0.0000 | |
| 158 | M | A | 0.0000 | |
| 159 | T | A | -1.6952 | |
| 160 | R | A | -2.4694 | |
| 161 | H | A | -1.4906 | |
| 162 | S | A | 0.0000 | |
| 163 | K | A | -1.9695 | |
| 164 | V | A | -0.3957 | |
| 165 | I | A | 0.0686 | |
| 166 | S | A | 0.5683 | |
| 167 | P | A | 0.4206 | |
| 168 | V | A | 1.7638 | |
| 169 | L | A | 1.1774 | |
| 170 | V | A | 0.0000 | |
| 171 | L | A | 0.3381 | |
| 172 | D | A | -0.9806 | |
| 173 | L | A | 0.0000 | |
| 174 | I | A | -0.7159 | |
| 175 | S | A | -1.9425 | |
| 176 | A | A | -2.7386 | |
| 177 | D | A | -3.4377 | |
| 178 | D | A | -3.3804 | |
| 179 | E | A | -3.0188 | |
| 180 | L | A | -0.7818 | |
| 181 | E | A | -1.8124 | |
| 182 | V | A | -0.4811 | |
| 183 | Q | A | -2.3578 | |
| 184 | E | A | -2.5701 | |
| 185 | D | A | -2.1213 | |
| 186 | V | A | -0.6605 | |
| 187 | V | A | 0.5187 | |
| 188 | L | A | 0.0000 | |
| 189 | E | A | -1.7388 | |
| 190 | H | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | P | A | -1.5079 | |
| 193 | E | A | -2.3725 | |
| 194 | S | A | -1.2949 | |
| 195 | V | A | 0.0000 | |
| 196 | L | A | -1.2005 | |
| 197 | Q | A | -1.3485 | |
| 198 | D | A | -1.5868 | |
| 199 | V | A | 0.0000 | |
| 200 | I | A | -0.8041 | |
| 201 | R | A | -1.7666 | |
| 202 | I | A | 0.0000 | |
| 203 | S | A | 0.0000 | |
| 204 | R | A | -1.3225 | |
| 205 | W | A | -0.8373 | |
| 206 | L | A | 0.0000 | |
| 207 | V | A | -0.6776 | |
| 208 | E | A | -1.6987 | |
| 209 | Y | A | -1.0918 | |
| 210 | G | A | -2.2550 | |
| 211 | R | A | -3.2203 | |
| 212 | N | A | -2.9664 | |
| 213 | Q | A | -2.5475 | |
| 214 | D | A | -2.3575 | |
| 215 | F | A | 0.0000 | |
| 216 | M | A | 0.0000 | |
| 217 | N | A | -1.3727 | |
| 218 | V | A | -1.0815 | |
| 219 | Y | A | 0.0000 | |
| 220 | Y | A | -0.6407 | |
| 221 | Q | A | -1.3132 | |
| 222 | I | A | -0.6940 | |
| 223 | R | A | 0.0000 | |
| 224 | S | A | 0.0000 | |
| 225 | S | A | -1.1945 | |
| 226 | Q | A | -1.1289 | |
| 227 | L | A | 0.0000 | |
| 228 | D | A | -2.0007 | |
| 229 | R | A | -2.6145 | |
| 230 | S | A | 0.0000 | |
| 231 | I | A | 0.0000 | |
| 232 | K | A | -3.0776 | |
| 233 | G | A | -2.1156 | |
| 234 | L | A | 0.0000 | |
| 235 | K | A | -2.9766 | |
| 236 | E | A | -3.6398 | |
| 237 | H | A | -2.4354 | |
| 238 | F | A | -2.4386 | |
| 239 | R | A | -3.4693 | |
| 240 | K | A | -3.3635 | |
| 241 | S | A | -2.0336 | |
| 242 | S | A | -1.7525 | |
| 243 | S | A | -1.3090 | |
| 244 | S | A | -0.9193 | |
| 245 | S | A | -0.3892 | |
| 246 | G | A | 0.2479 | |
| 247 | V | A | 1.6259 | |
| 248 | P | A | 0.9934 | |
| 249 | Y | A | 1.4453 | |
| 250 | S | A | 0.6741 | |
| 251 | P | A | 0.3900 | |
| 252 | A | A | 0.8217 | |
| 253 | I | A | 1.3636 | |
| 254 | P | A | -0.5515 | |
| 255 | N | A | -2.3589 | |
| 256 | K | A | -3.4761 | |
| 257 | R | A | -4.2629 | |
| 258 | K | A | -4.0396 | |
| 259 | D | A | -3.1427 | |
| 260 | T | A | -1.7376 | |
| 261 | P | A | -1.7466 | |
| 262 | T | A | -1.8588 | |
| 263 | K | A | -2.3406 | |
| 264 | K | A | -2.4183 | |
| 265 | P | A | -1.3619 | |
| 266 | I | A | -0.2918 | |
| 267 | K | A | -2.5311 | |
| 268 | R | A | -2.9240 | |
| 269 | P | A | -2.2593 | |
| 270 | G | A | -2.5134 | |
| 271 | R | A | -2.6210 | |
| 272 | D | A | -2.9225 | |
| 273 | D | A | -3.3019 | |
| 274 | M | A | -1.8921 | |
| 275 | L | A | -1.7780 | |
| 276 | D | A | -2.9061 | |
| 277 | V | A | -2.0747 | |
| 278 | E | A | -2.0500 | |
| 279 | T | A | 0.0000 | |
| 280 | D | A | -1.8172 | |
| 281 | A | A | 0.0000 | |
| 282 | Y | A | 0.0000 | |
| 283 | I | A | -0.5705 | |
| 284 | H | A | -0.3547 | |
| 285 | C | A | 0.0000 | |
| 286 | V | A | 0.0000 | |
| 287 | S | A | -0.1885 | |
| 288 | A | A | 0.0000 | |
| 289 | F | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | R | A | -0.8093 | |
| 292 | L | A | 0.0000 | |
| 293 | A | A | 0.0000 | |
| 294 | Q | A | -1.6240 | |
| 295 | S | A | -0.8363 | |
| 296 | E | A | 0.0000 | |
| 297 | Y | A | -0.9135 | |
| 298 | Q | A | -1.0536 | |
| 299 | L | A | 0.0000 | |
| 300 | L | A | 0.0000 | |
| 301 | M | A | -0.5659 | |
| 302 | G | A | -0.3313 | |
| 303 | I | A | 0.0000 | |
| 304 | I | A | 0.0000 | |
| 305 | P | A | -1.4330 | |
| 306 | E | A | -2.6955 | |
| 307 | H | A | -2.7302 | |
| 308 | H | A | -2.6966 | |
| 309 | Q | A | -2.5061 | |
| 310 | K | A | -3.3764 | |
| 311 | K | A | -2.9145 | |
| 312 | T | A | 0.0000 | |
| 313 | F | A | 0.0000 | |
| 314 | D | A | -1.3763 | |
| 315 | S | A | -1.4049 | |
| 316 | L | A | 0.0000 | |
| 317 | I | A | 0.0000 | |
| 318 | Q | A | -1.5103 | |
| 319 | D | A | -2.6431 | |
| 320 | A | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | D | A | -1.3759 | |
| 323 | G | A | -1.1493 | |
| 324 | L | A | 0.0000 | |
| 325 | M | A | 0.0000 | |
| 326 | L | A | 0.2825 | |
| 327 | E | A | -0.7707 | |
| 328 | G | A | 0.0000 | |
| 329 | E | A | -1.2392 | |
| 330 | N | A | -1.6419 | |
| 331 | I | A | -1.1174 | |
| 332 | V | A | 0.0000 | |
| 333 | S | A | -1.7655 | |
| 334 | A | A | -1.4556 | |
| 335 | A | A | 0.0000 | |
| 336 | R | A | -2.6781 | |
| 337 | K | A | -2.2285 | |
| 338 | A | A | 0.0000 | |
| 339 | I | A | 0.0000 | |
| 340 | I | A | -0.2365 | |
| 341 | R | A | -2.0863 | |
| 342 | H | A | -2.0124 | |
| 343 | D | A | -1.6521 | |
| 344 | F | A | 0.0000 | |
| 345 | S | A | -0.5764 | |
| 346 | T | A | 0.0000 | |
| 347 | V | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | T | A | -0.6393 | |
| 350 | V | A | 0.0000 | |
| 351 | F | A | 0.0000 | |
| 352 | P | A | -1.0715 | |
| 353 | I | A | 0.0000 | |
| 354 | L | A | 0.0000 | |
| 355 | R | A | -1.9976 | |
| 356 | H | A | -1.3765 | |
| 357 | L | A | 0.0000 | |
| 358 | K | A | -1.9054 | |
| 359 | Q | A | -2.2403 | |
| 360 | T | A | 0.0000 | |
| 361 | K | A | -2.1485 | |
| 362 | P | A | -2.0274 | |
| 363 | E | A | -2.5977 | |
| 364 | F | A | 0.0000 | |
| 365 | D | A | -2.6847 | |
| 366 | Q | A | -2.7747 | |
| 367 | V | A | 0.0000 | |
| 368 | L | A | 0.0000 | |
| 369 | Q | A | -2.3262 | |
| 370 | G | A | -1.8922 | |
| 371 | T | A | 0.0000 | |
| 372 | A | A | -1.0635 | |
| 373 | A | A | -0.7979 | |
| 374 | S | A | -0.8650 | |
| 375 | T | A | 0.0000 | |
| 376 | K | A | -1.9887 | |
| 377 | N | A | -1.9793 | |
| 378 | K | A | -1.4199 | |
| 379 | L | A | 0.0000 | |
| 380 | P | A | -1.0989 | |
| 381 | G | A | -0.9800 | |
| 382 | L | A | 0.0000 | |
| 383 | I | A | 0.0000 | |
| 384 | T | A | -0.3592 | |
| 385 | S | A | -0.4129 | |
| 386 | M | A | 0.0000 | |
| 387 | E | A | -0.5355 | |
| 388 | T | A | -0.6243 | |
| 389 | I | A | 0.0000 | |
| 390 | G | A | 0.0000 | |
| 391 | A | A | 0.0000 | |
| 392 | K | A | -2.2463 | |
| 393 | A | A | 0.0000 | |
| 394 | L | A | 0.0000 | |
| 395 | E | A | -2.9825 | |
| 396 | D | A | -2.2997 | |
| 397 | F | A | 0.0000 | |
| 398 | A | A | 0.0000 | |
| 399 | D | A | -3.2117 | |
| 400 | N | A | -2.5605 | |
| 401 | I | A | 0.0000 | |
| 402 | K | A | -2.9132 | |
| 403 | N | A | -2.6467 | |
| 404 | D | A | -2.0467 | |
| 405 | P | A | -1.8387 | |
| 406 | D | A | -1.8178 | |
| 407 | K | A | -1.8852 | |
| 408 | E | A | -2.0542 | |
| 409 | Y | A | -0.4606 | |
| 410 | N | A | -1.4902 | |
| 411 | M | A | -1.3332 | |
| 412 | P | A | -1.2707 | |
| 413 | K | A | -1.9429 | |
| 414 | D | A | -1.1018 | |
| 415 | G | A | 0.0000 | |
| 416 | T | A | -0.5043 | |
| 417 | V | A | -0.1465 | |
| 418 | H | A | 0.0000 | |
| 419 | E | A | -2.1836 | |
| 420 | L | A | 0.0000 | |
| 421 | T | A | 0.0000 | |
| 422 | S | A | -0.9471 | |
| 423 | N | A | -1.5227 | |
| 424 | A | A | 0.0000 | |
| 425 | I | A | 0.0000 | |
| 426 | L | A | -0.0579 | |
| 427 | F | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | Q | A | -1.1188 | |
| 430 | Q | A | -1.1781 | |
| 431 | L | A | 0.0000 | |
| 432 | L | A | -1.7477 | |
| 433 | D | A | -2.4783 | |
| 434 | F | A | 0.0000 | |
| 435 | Q | A | -1.8867 | |
| 436 | E | A | -2.7673 | |
| 437 | T | A | 0.0000 | |
| 438 | A | A | 0.0000 | |
| 439 | G | A | 0.0000 | |
| 440 | A | A | -0.6883 | |
| 441 | M | A | 0.0000 | |
| 442 | L | A | -1.1084 | |
| 443 | A | A | 0.0000 | |
| 444 | S | A | -0.6994 | |
| 445 | Q | A | -1.5707 | |
| 446 | E | A | -1.7647 | |
| 447 | T | A | -1.0826 | |
| 448 | S | A | -0.8803 | |
| 449 | S | A | -0.5748 | |
| 450 | S | A | -0.3576 | |
| 451 | A | A | 0.0282 | |
| 452 | T | A | -0.0658 | |
| 453 | S | A | 0.0529 | |
| 454 | Y | A | 0.4213 | |
| 455 | N | A | -1.1540 | |
| 456 | S | A | -1.9921 | |
| 457 | E | A | -2.7127 | |
| 458 | F | A | -1.2095 | |
| 459 | S | A | -1.6354 | |
| 460 | K | A | -2.7059 | |
| 461 | R | A | -2.3164 | |
| 462 | L | A | -1.0580 | |
| 463 | L | A | 0.0000 | |
| 464 | S | A | 0.0000 | |
| 465 | T | A | -1.1108 | |
| 466 | Y | A | 0.0000 | |
| 467 | I | A | 0.0000 | |
| 468 | C | A | -0.9147 | |
| 469 | K | A | -2.2409 | |
| 470 | V | A | 0.0000 | |
| 471 | L | A | 0.0000 | |
| 472 | G | A | -0.6317 | |
| 473 | N | A | 0.0000 | |
| 474 | L | A | 0.0000 | |
| 475 | Q | A | 0.2729 | |
| 476 | L | A | 1.2032 | |
| 477 | N | A | 0.0000 | |
| 478 | L | A | 0.0000 | |
| 479 | L | A | 0.8648 | |
| 480 | S | A | 0.1212 | |
| 481 | K | A | 0.0000 | |
| 482 | S | A | 0.0000 | |
| 483 | K | A | -1.7812 | |
| 484 | V | A | -1.4126 | |
| 485 | Y | A | -1.7636 | |
| 486 | E | A | -2.2421 | |
| 487 | D | A | -1.5295 | |
| 488 | P | A | -1.3674 | |
| 489 | A | A | 0.0000 | |
| 490 | L | A | 0.0000 | |
| 491 | S | A | -0.7723 | |
| 492 | A | A | 0.0000 | |
| 493 | I | A | 0.0000 | |
| 494 | F | A | 0.0000 | |
| 495 | L | A | 0.0000 | |
| 496 | H | A | 0.0000 | |
| 497 | N | A | 0.0000 | |
| 498 | N | A | 0.0000 | |
| 499 | Y | A | 0.0000 | |
| 500 | N | A | 0.0000 | |
| 501 | Y | A | 0.1101 | |
| 502 | I | A | 0.0000 | |
| 503 | L | A | 0.0000 | |
| 504 | K | A | -1.3288 | |
| 505 | S | A | -1.2381 | |
| 506 | L | A | 0.0000 | |
| 507 | E | A | -2.6399 | |
| 508 | K | A | -2.7483 | |
| 509 | S | A | -2.3231 | |
| 510 | E | A | -2.8914 | |
| 511 | L | A | 0.0000 | |
| 512 | I | A | -1.9388 | |
| 513 | Q | A | -2.0917 | |
| 514 | L | A | 0.0000 | |
| 515 | V | A | 0.0000 | |
| 516 | A | A | -1.6027 | |
| 517 | V | A | -1.4537 | |
| 518 | T | A | -1.4228 | |
| 519 | Q | A | -1.9510 | |
| 520 | K | A | -2.6298 | |
| 521 | T | A | -1.9771 | |
| 522 | A | A | 0.0000 | |
| 523 | E | A | -2.4985 | |
| 524 | R | A | -3.2361 | |
| 525 | S | A | -2.6804 | |
| 526 | Y | A | 0.0000 | |
| 527 | R | A | -3.4070 | |
| 528 | E | A | -4.0579 | |
| 529 | H | A | -3.1207 | |
| 530 | I | A | 0.0000 | |
| 531 | E | A | -3.7426 | |
| 532 | Q | A | -3.3033 | |
| 533 | Q | A | -2.3425 | |
| 534 | I | A | 0.0000 | |
| 535 | Q | A | -2.5243 | |
| 536 | T | A | -1.8288 | |
| 537 | Y | A | 0.0000 | |
| 538 | Q | A | -1.1956 | |
| 539 | R | A | -2.0215 | |
| 540 | S | A | -1.1330 | |
| 541 | W | A | 0.0000 | |
| 542 | L | A | -0.1125 | |
| 543 | K | A | -1.5380 | |
| 544 | V | A | 0.0000 | |
| 545 | T | A | 0.0000 | |
| 546 | D | A | -1.2668 | |
| 547 | Y | A | -0.9196 | |
| 548 | I | A | 0.0000 | |
| 549 | A | A | -1.8149 | |
| 550 | E | A | -2.8313 | |
| 551 | K | A | -2.8395 | |
| 552 | N | A | -2.1277 | |
| 553 | L | A | -1.0907 | |
| 554 | P | A | 0.1132 | |
| 555 | V | A | 1.1766 | |
| 556 | F | A | 0.5651 | |
| 557 | Q | A | -0.6655 | |
| 558 | P | A | -0.5174 | |
| 559 | G | A | -0.5078 | |
| 560 | V | A | -0.1501 | |
| 561 | K | A | -1.9794 | |
| 562 | L | A | 0.0000 | |
| 563 | R | A | -3.8262 | |
| 564 | D | A | -4.2284 | |
| 565 | K | A | -3.7810 | |
| 566 | E | A | -3.0980 | |
| 567 | R | A | -3.2279 | |
| 568 | Q | A | -3.1539 | |
| 569 | M | A | -2.2757 | |
| 570 | I | A | 0.0000 | |
| 571 | K | A | -2.2600 | |
| 572 | E | A | -2.3738 | |
| 573 | R | A | -1.6940 | |
| 574 | F | A | 0.0000 | |
| 575 | K | A | -2.7288 | |
| 576 | G | A | -2.1683 | |
| 577 | F | A | 0.0000 | |
| 578 | N | A | 0.0000 | |
| 579 | D | A | -3.2757 | |
| 580 | G | A | 0.0000 | |
| 581 | L | A | 0.0000 | |
| 582 | E | A | -3.2762 | |
| 583 | E | A | -3.1018 | |
| 584 | L | A | 0.0000 | |
| 585 | C | A | 0.0000 | |
| 586 | K | A | -2.5392 | |
| 587 | I | A | -1.1242 | |
| 588 | Q | A | 0.0000 | |
| 589 | K | A | -1.8511 | |
| 590 | A | A | -1.0609 | |
| 591 | W | A | 0.0000 | |
| 592 | A | A | -0.8281 | |
| 593 | I | A | 0.0000 | |
| 594 | P | A | -0.7295 | |
| 595 | D | A | -1.2948 | |
| 596 | T | A | -2.0456 | |
| 597 | E | A | -2.9870 | |
| 598 | Q | A | -2.3638 | |
| 599 | R | A | -2.6604 | |
| 600 | D | A | -3.6525 | |
| 601 | K | A | -3.1068 | |
| 602 | I | A | 0.0000 | |
| 603 | R | A | -2.3574 | |
| 604 | Q | A | -2.3400 | |
| 605 | A | A | -1.0690 | |
| 606 | Q | A | 0.0000 | |
| 607 | K | A | -1.5218 | |
| 608 | S | A | -0.7202 | |
| 609 | I | A | 0.1003 | |
| 610 | V | A | 0.0000 | |
| 611 | K | A | -1.7634 | |
| 612 | E | A | -1.7392 | |
| 613 | T | A | -1.0598 | |
| 614 | Y | A | 0.0000 | |
| 615 | G | A | -1.4295 | |
| 616 | A | A | -1.3780 | |
| 617 | F | A | 0.0000 | |
| 618 | L | A | -0.9652 | |
| 619 | H | A | -1.4320 | |
| 620 | R | A | -1.6325 | |
| 621 | Y | A | 0.0000 | |
| 622 | S | A | -0.5750 | |
| 623 | S | A | -0.5094 | |
| 624 | V | A | -0.4955 | |
| 625 | P | A | -0.9041 | |
| 626 | F | A | 0.0000 | |
| 627 | T | A | -2.0251 | |
| 628 | K | A | -2.5181 | |
| 629 | N | A | -2.5195 | |
| 630 | P | A | -2.3901 | |
| 631 | E | A | -3.2287 | |
| 632 | K | A | -3.3413 | |
| 633 | Y | A | -2.2504 | |
| 634 | I | A | -1.8411 | |
| 635 | K | A | -2.5272 | |
| 636 | Y | A | -2.0210 | |
| 637 | R | A | -2.8290 | |
| 638 | V | A | -2.2395 | |
| 639 | E | A | -2.8695 | |
| 640 | Q | A | -3.0524 | |
| 641 | V | A | 0.0000 | |
| 642 | G | A | 0.0000 | |
| 643 | D | A | -2.9348 | |
| 644 | M | A | -2.2848 | |
| 645 | I | A | 0.0000 | |
| 646 | D | A | -2.9212 | |
| 647 | R | A | -2.7034 | |
| 648 | L | A | 0.0000 | |
| 649 | F | A | 0.0000 | |
| 650 | D | A | -2.0193 | |
| 651 | T | A | -1.0791 | |
| 652 | S | A | -0.6878 | |
| 653 | A | A | -0.5447 |
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 | -1.2247 | 3.9871 | View | CSV | PDB |
| 4.5 | -1.3286 | 3.9388 | View | CSV | PDB |
| 5.0 | -1.4607 | 3.864 | View | CSV | PDB |
| 5.5 | -1.5955 | 3.8171 | View | CSV | PDB |
| 6.0 | -1.7062 | 3.837 | View | CSV | PDB |
| 6.5 | -1.7716 | 3.8708 | View | CSV | PDB |
| 7.0 | -1.7866 | 3.9147 | View | CSV | PDB |
| 7.5 | -1.7649 | 3.9632 | View | CSV | PDB |
| 8.0 | -1.7232 | 4.0134 | View | CSV | PDB |
| 8.5 | -1.669 | 4.0639 | View | CSV | PDB |
| 9.0 | -1.6021 | 4.1141 | 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