| Chain sequence(s) |
A: MWTLVSWVALTAGLVAGTRCPDGQFCPVACCLDPGGASYSCCRPLLDKWPTTLSRHLGGPCQVDAHCSAGHSCIFTVSGTSSCCPFPEAVACGDGHHCCPRGFHCSADGRSCFQRSGNNSVGAIQCPDSQFECPDFSTCCVMVDGSWGCCPMPQASCCEDRVHCCPHGAFCDLVHTRCITPTGTHPLAKKLPAQRTNRAVALSSSVMCPDARSRCPDGSTCCELPSGKYGCCPMPNATCCSDHLHCCPQDTVCDLIQSKCLSKENATTDLLTKLPAHTVGDVKCDMEVSCPDGYTCCRLQSGAWGCCPFTQAVCCEDHIHCCPAGFTCDTQKGTCEQGPHQVPWMEKAPAHLSLPDPQALKRDVPCDNVSSCPSSDTCCQLTSGEWGCCPIPEAVCCSDHQHCCPQGYTCVAEGQCQRGSEIVAGLEKMPARRASLSHPRDIGCDQHTSCPVGQTCCPSLGGSWACCQLPHAVCCEDRQHCCPAGYTCNVKARSCEKEVVSAQPATFLARSPHVGVKDVECGEGHFCHDNQTCCRDNRQGWACCPYRQGVCCADRRHCCPAGFRCAARGTKCLRREAPRWDAPLRDPALRQLL
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:10)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:10)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:10)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:10)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:12)
[INFO] FoldX: Starting FoldX energy minimization (00:00:12)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:04:53)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6543a3d9b163cdc/tmp/folded.pdb (00:04:53)
[INFO] Main: Simulation completed successfully. (00:08:08)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 1.6202 | |
| 2 | W | A | 2.2414 | |
| 3 | T | A | 1.9476 | |
| 4 | L | A | 2.7432 | |
| 5 | V | A | 3.0299 | |
| 6 | S | A | 2.0010 | |
| 7 | W | A | 2.7486 | |
| 8 | V | A | 2.9858 | |
| 9 | A | A | 1.9409 | |
| 10 | L | A | 2.1497 | |
| 11 | T | A | 1.0379 | |
| 12 | A | A | 0.9207 | |
| 13 | G | A | 1.0112 | |
| 14 | L | A | 2.1861 | |
| 15 | V | A | 2.3450 | |
| 16 | A | A | 1.2824 | |
| 17 | G | A | 0.8974 | |
| 18 | T | A | -0.0918 | |
| 19 | R | A | -1.6978 | |
| 20 | C | A | 0.0000 | |
| 21 | P | A | -1.2627 | |
| 22 | D | A | -2.1041 | |
| 23 | G | A | -1.5849 | |
| 24 | Q | A | -1.2133 | |
| 25 | F | A | 0.1944 | |
| 26 | C | A | 0.0000 | |
| 27 | P | A | 0.7767 | |
| 28 | V | A | 1.4066 | |
| 29 | A | A | 0.7467 | |
| 30 | C | A | 0.5218 | |
| 31 | C | A | 0.9974 | |
| 32 | L | A | 1.4106 | |
| 33 | D | A | 0.0882 | |
| 34 | P | A | -0.3992 | |
| 35 | G | A | -0.6654 | |
| 36 | G | A | -0.3939 | |
| 37 | A | A | -0.4159 | |
| 38 | S | A | -0.4139 | |
| 39 | Y | A | 0.3628 | |
| 40 | S | A | 0.2100 | |
| 41 | C | A | 0.3374 | |
| 42 | C | A | 0.2476 | |
| 43 | R | A | -0.8495 | |
| 44 | P | A | 0.0707 | |
| 45 | L | A | 0.8815 | |
| 46 | L | A | 0.9348 | |
| 47 | D | A | -1.2438 | |
| 48 | K | A | -1.4740 | |
| 49 | W | A | 0.0747 | |
| 50 | P | A | -0.0370 | |
| 51 | T | A | 0.4963 | |
| 52 | T | A | 0.4796 | |
| 53 | L | A | 0.4105 | |
| 54 | S | A | 0.0000 | |
| 55 | R | A | -2.0194 | |
| 56 | H | A | -2.2425 | |
| 57 | L | A | 0.0000 | |
| 58 | G | A | -1.3017 | |
| 59 | G | A | -0.8531 | |
| 60 | P | A | -0.5768 | |
| 61 | C | A | 0.0000 | |
| 62 | Q | A | -0.8718 | |
| 63 | V | A | 0.4843 | |
| 64 | D | A | -1.5329 | |
| 65 | A | A | -1.2483 | |
| 66 | H | A | -1.3952 | |
| 67 | C | A | -1.1638 | |
| 68 | S | A | -0.6351 | |
| 69 | A | A | -0.5696 | |
| 70 | G | A | -0.9866 | |
| 71 | H | A | -1.1760 | |
| 72 | S | A | -0.6178 | |
| 73 | C | A | -0.0243 | |
| 74 | I | A | 0.0000 | |
| 75 | F | A | 2.3989 | |
| 76 | T | A | 0.0000 | |
| 77 | V | A | 1.5399 | |
| 78 | S | A | 0.2900 | |
| 79 | G | A | 0.3332 | |
| 80 | T | A | 0.3202 | |
| 81 | S | A | 0.6789 | |
| 82 | S | A | -0.1316 | |
| 83 | C | A | -0.4310 | |
| 84 | C | A | 0.0000 | |
| 85 | P | A | -0.9808 | |
| 86 | F | A | -0.9536 | |
| 87 | P | A | -1.5532 | |
| 88 | E | A | -2.3818 | |
| 89 | A | A | -1.0399 | |
| 90 | V | A | 0.4181 | |
| 91 | A | A | 0.5876 | |
| 92 | C | A | 0.0000 | |
| 93 | G | A | -0.6030 | |
| 94 | D | A | -1.7817 | |
| 95 | G | A | -0.5771 | |
| 96 | H | A | -2.0209 | |
| 97 | H | A | -2.0980 | |
| 98 | C | A | 0.0000 | |
| 99 | C | A | 0.0000 | |
| 100 | P | A | -1.0843 | |
| 101 | R | A | -2.6117 | |
| 102 | G | A | -1.8415 | |
| 103 | F | A | -0.8791 | |
| 104 | H | A | -0.4880 | |
| 105 | C | A | -0.3851 | |
| 106 | S | A | -0.9777 | |
| 107 | A | A | -1.1597 | |
| 108 | D | A | -2.6137 | |
| 109 | G | A | 0.0000 | |
| 110 | R | A | -2.7323 | |
| 111 | S | A | -0.7048 | |
| 112 | C | A | 0.0000 | |
| 113 | F | A | 0.7886 | |
| 114 | Q | A | -1.1944 | |
| 115 | R | A | -2.7127 | |
| 116 | S | A | -1.8686 | |
| 117 | G | A | -2.0539 | |
| 118 | N | A | -2.2635 | |
| 119 | N | A | -1.8736 | |
| 120 | S | A | -0.4010 | |
| 121 | V | A | 0.9782 | |
| 122 | G | A | 0.2734 | |
| 123 | A | A | -0.0320 | |
| 124 | I | A | 0.1579 | |
| 125 | Q | A | -1.9750 | |
| 126 | C | A | 0.0000 | |
| 127 | P | A | -1.4302 | |
| 128 | D | A | -2.3069 | |
| 129 | S | A | -2.2346 | |
| 130 | Q | A | -3.2635 | |
| 131 | F | A | -2.6205 | |
| 132 | E | A | -2.0702 | |
| 133 | C | A | 0.0000 | |
| 134 | P | A | -0.5884 | |
| 135 | D | A | -0.0861 | |
| 136 | F | A | 1.1389 | |
| 137 | S | A | 0.1619 | |
| 138 | T | A | -0.2647 | |
| 139 | C | A | 0.2481 | |
| 140 | C | A | 0.0000 | |
| 141 | V | A | 0.1560 | |
| 142 | M | A | 0.1195 | |
| 143 | V | A | 0.3212 | |
| 144 | D | A | -1.1438 | |
| 145 | G | A | -0.7227 | |
| 146 | S | A | -0.6912 | |
| 147 | W | A | -0.3683 | |
| 148 | G | A | 0.0000 | |
| 149 | C | A | 0.0000 | |
| 150 | C | A | 0.0000 | |
| 151 | P | A | -0.1620 | |
| 152 | M | A | -0.0166 | |
| 153 | P | A | -0.5148 | |
| 154 | Q | A | -1.3733 | |
| 155 | A | A | 0.0000 | |
| 156 | S | A | -0.4271 | |
| 157 | C | A | -0.1849 | |
| 158 | C | A | 0.0000 | |
| 159 | E | A | -1.9541 | |
| 160 | D | A | -1.2547 | |
| 161 | R | A | -1.5391 | |
| 162 | V | A | -0.4552 | |
| 163 | H | A | -1.0024 | |
| 164 | C | A | 0.0000 | |
| 165 | C | A | 0.0000 | |
| 166 | P | A | -0.4639 | |
| 167 | H | A | -1.3965 | |
| 168 | G | A | -0.6159 | |
| 169 | A | A | 0.0000 | |
| 170 | F | A | 1.9401 | |
| 171 | C | A | 0.7931 | |
| 172 | D | A | 0.5543 | |
| 173 | L | A | 0.7978 | |
| 174 | V | A | 1.4141 | |
| 175 | H | A | -0.3058 | |
| 176 | T | A | -0.3213 | |
| 177 | R | A | -0.7926 | |
| 178 | C | A | 0.0000 | |
| 179 | I | A | 0.8185 | |
| 180 | T | A | 0.1453 | |
| 181 | P | A | -0.0231 | |
| 182 | T | A | -0.2903 | |
| 183 | G | A | -0.4469 | |
| 184 | T | A | -0.4510 | |
| 185 | H | A | -1.3808 | |
| 186 | P | A | -1.3678 | |
| 187 | L | A | 0.0000 | |
| 188 | A | A | -0.9062 | |
| 189 | K | A | -1.5080 | |
| 190 | K | A | 0.0000 | |
| 191 | L | A | 0.7060 | |
| 192 | P | A | -0.2308 | |
| 193 | A | A | 0.0000 | |
| 194 | Q | A | -2.5476 | |
| 195 | R | A | -3.6077 | |
| 196 | T | A | -3.0247 | |
| 197 | N | A | -2.8965 | |
| 198 | R | A | -2.3419 | |
| 199 | A | A | -0.5878 | |
| 200 | V | A | 0.8330 | |
| 201 | A | A | 0.3952 | |
| 202 | L | A | 0.4608 | |
| 203 | S | A | -0.1724 | |
| 204 | S | A | -0.3743 | |
| 205 | S | A | -0.6702 | |
| 206 | V | A | -0.0032 | |
| 207 | M | A | -0.1357 | |
| 208 | C | A | 0.0000 | |
| 209 | P | A | -0.5888 | |
| 210 | D | A | -1.1922 | |
| 211 | A | A | -0.9562 | |
| 212 | R | A | -2.5932 | |
| 213 | S | A | 0.0000 | |
| 214 | R | A | -1.1321 | |
| 215 | C | A | 0.0000 | |
| 216 | P | A | -1.3130 | |
| 217 | D | A | -2.0594 | |
| 218 | G | A | -1.5984 | |
| 219 | S | A | 0.0000 | |
| 220 | T | A | -0.5942 | |
| 221 | C | A | -0.2119 | |
| 222 | C | A | 0.0000 | |
| 223 | E | A | -1.5007 | |
| 224 | L | A | -1.0525 | |
| 225 | P | A | -1.0730 | |
| 226 | S | A | -1.1706 | |
| 227 | G | A | -1.6563 | |
| 228 | K | A | -2.4751 | |
| 229 | Y | A | -1.5051 | |
| 230 | G | A | 0.0000 | |
| 231 | C | A | 0.0000 | |
| 232 | C | A | 0.0000 | |
| 233 | P | A | -0.5132 | |
| 234 | M | A | -0.9296 | |
| 235 | P | A | -1.5073 | |
| 236 | N | A | -2.0653 | |
| 237 | A | A | 0.0000 | |
| 238 | T | A | -0.6231 | |
| 239 | C | A | -0.0208 | |
| 240 | C | A | 0.0000 | |
| 241 | S | A | -0.5729 | |
| 242 | D | A | -0.7658 | |
| 243 | H | A | -1.0931 | |
| 244 | L | A | 0.1381 | |
| 245 | H | A | -0.0783 | |
| 246 | C | A | 0.0000 | |
| 247 | C | A | 0.0000 | |
| 248 | P | A | -1.1403 | |
| 249 | Q | A | -2.2468 | |
| 250 | D | A | -2.4187 | |
| 251 | T | A | -0.8228 | |
| 252 | V | A | 1.1617 | |
| 253 | C | A | 0.7813 | |
| 254 | D | A | 0.4799 | |
| 255 | L | A | 1.0334 | |
| 256 | I | A | 1.5419 | |
| 257 | Q | A | -0.5124 | |
| 258 | S | A | -0.5420 | |
| 259 | K | A | -0.7968 | |
| 260 | C | A | 0.0000 | |
| 261 | L | A | -0.6776 | |
| 262 | S | A | -1.8188 | |
| 263 | K | A | -2.9566 | |
| 264 | E | A | -3.1837 | |
| 265 | N | A | -2.5620 | |
| 266 | A | A | -1.4797 | |
| 267 | T | A | -1.1447 | |
| 268 | T | A | -1.0337 | |
| 269 | D | A | -2.0198 | |
| 270 | L | A | -0.7326 | |
| 271 | L | A | 0.1327 | |
| 272 | T | A | 0.2360 | |
| 273 | K | A | 0.0000 | |
| 274 | L | A | 0.9785 | |
| 275 | P | A | -0.2697 | |
| 276 | A | A | -0.7916 | |
| 277 | H | A | -1.2655 | |
| 278 | T | A | -1.7584 | |
| 279 | V | A | 0.0000 | |
| 280 | G | A | -2.1784 | |
| 281 | D | A | -2.8044 | |
| 282 | V | A | -1.4179 | |
| 283 | K | A | -2.2961 | |
| 284 | C | A | -1.2320 | |
| 285 | D | A | -0.7934 | |
| 286 | M | A | -0.0959 | |
| 287 | E | A | -0.7676 | |
| 288 | V | A | -0.4041 | |
| 289 | S | A | 0.0000 | |
| 290 | C | A | 0.0000 | |
| 291 | P | A | 0.0000 | |
| 292 | D | A | -1.9764 | |
| 293 | G | A | -0.8393 | |
| 294 | Y | A | -0.3590 | |
| 295 | T | A | -0.2282 | |
| 296 | C | A | -0.2690 | |
| 297 | C | A | 0.0000 | |
| 298 | R | A | -1.7369 | |
| 299 | L | A | -1.3657 | |
| 300 | Q | A | -1.8769 | |
| 301 | S | A | -1.0736 | |
| 302 | G | A | -1.1676 | |
| 303 | A | A | -0.8247 | |
| 304 | W | A | -0.4516 | |
| 305 | G | A | 0.0000 | |
| 306 | C | A | 0.0000 | |
| 307 | C | A | 0.0000 | |
| 308 | P | A | -0.2904 | |
| 309 | F | A | 0.0000 | |
| 310 | T | A | -0.6046 | |
| 311 | Q | A | -1.0286 | |
| 312 | A | A | -0.1496 | |
| 313 | V | A | 0.2941 | |
| 314 | C | A | -0.1285 | |
| 315 | C | A | 0.0000 | |
| 316 | E | A | -2.2228 | |
| 317 | D | A | -1.6052 | |
| 318 | H | A | -1.9469 | |
| 319 | I | A | -1.0119 | |
| 320 | H | A | -0.9255 | |
| 321 | C | A | 0.0000 | |
| 322 | C | A | 0.0000 | |
| 323 | P | A | -0.0307 | |
| 324 | A | A | -0.3891 | |
| 325 | G | A | -0.7143 | |
| 326 | F | A | -0.8935 | |
| 327 | T | A | -0.6862 | |
| 328 | C | A | -1.0255 | |
| 329 | D | A | -1.8419 | |
| 330 | T | A | -1.6842 | |
| 331 | Q | A | -2.1767 | |
| 332 | K | A | -2.5708 | |
| 333 | G | A | -1.5894 | |
| 334 | T | A | -1.5867 | |
| 335 | C | A | 0.0000 | |
| 336 | E | A | -2.6253 | |
| 337 | Q | A | -2.2479 | |
| 338 | G | A | -1.7394 | |
| 339 | P | A | -1.6433 | |
| 340 | H | A | -2.3255 | |
| 341 | Q | A | -2.3472 | |
| 342 | V | A | -0.7676 | |
| 343 | P | A | -0.7064 | |
| 344 | W | A | -0.5990 | |
| 345 | M | A | -0.4800 | |
| 346 | E | A | -1.6162 | |
| 347 | K | A | 0.0000 | |
| 348 | A | A | -0.4446 | |
| 349 | P | A | -0.4280 | |
| 350 | A | A | -0.3330 | |
| 351 | H | A | -0.2527 | |
| 352 | L | A | 1.1153 | |
| 353 | S | A | 0.0327 | |
| 354 | L | A | 1.0836 | |
| 355 | P | A | -0.1566 | |
| 356 | D | A | -1.2828 | |
| 357 | P | A | -1.0349 | |
| 358 | Q | A | -1.8686 | |
| 359 | A | A | -1.3608 | |
| 360 | L | A | -0.8049 | |
| 361 | K | A | -2.5096 | |
| 362 | R | A | -2.6563 | |
| 363 | D | A | -1.9744 | |
| 364 | V | A | -0.9080 | |
| 365 | P | A | -1.1206 | |
| 366 | C | A | -1.2132 | |
| 367 | D | A | -1.6484 | |
| 368 | N | A | -1.8042 | |
| 369 | V | A | -1.0328 | |
| 370 | S | A | 0.0000 | |
| 371 | S | A | -1.6113 | |
| 372 | C | A | 0.0000 | |
| 373 | P | A | -0.9663 | |
| 374 | S | A | -1.1052 | |
| 375 | S | A | -1.0846 | |
| 376 | D | A | -0.6599 | |
| 377 | T | A | -0.4054 | |
| 378 | C | A | -0.1720 | |
| 379 | C | A | 0.0000 | |
| 380 | Q | A | -1.4851 | |
| 381 | L | A | -1.4235 | |
| 382 | T | A | -1.2373 | |
| 383 | S | A | -1.1694 | |
| 384 | G | A | -1.5906 | |
| 385 | E | A | -2.1900 | |
| 386 | W | A | -1.4858 | |
| 387 | G | A | 0.0000 | |
| 388 | C | A | 0.0000 | |
| 389 | C | A | 0.0000 | |
| 390 | P | A | -0.4843 | |
| 391 | I | A | -0.4388 | |
| 392 | P | A | -1.2615 | |
| 393 | E | A | -2.1268 | |
| 394 | A | A | -0.9292 | |
| 395 | V | A | -0.0074 | |
| 396 | C | A | -0.1512 | |
| 397 | C | A | 0.0000 | |
| 398 | S | A | -0.8209 | |
| 399 | D | A | -1.7893 | |
| 400 | H | A | -1.9682 | |
| 401 | Q | A | -1.9341 | |
| 402 | H | A | -1.8023 | |
| 403 | C | A | 0.0000 | |
| 404 | C | A | 0.0000 | |
| 405 | P | A | -0.9299 | |
| 406 | Q | A | -1.8133 | |
| 407 | G | A | -1.3848 | |
| 408 | Y | A | -1.0273 | |
| 409 | T | A | -0.4141 | |
| 410 | C | A | -0.1041 | |
| 411 | V | A | 0.1115 | |
| 412 | A | A | -0.8561 | |
| 413 | E | A | -2.0228 | |
| 414 | G | A | -1.6648 | |
| 415 | Q | A | -0.5650 | |
| 416 | C | A | 0.0000 | |
| 417 | Q | A | -1.2081 | |
| 418 | R | A | -2.5586 | |
| 419 | G | A | -1.8211 | |
| 420 | S | A | -1.4123 | |
| 421 | E | A | -1.6569 | |
| 422 | I | A | 0.3140 | |
| 423 | V | A | 0.4263 | |
| 424 | A | A | -0.0443 | |
| 425 | G | A | -0.5075 | |
| 426 | L | A | -0.6756 | |
| 427 | E | A | -1.9669 | |
| 428 | K | A | 0.0000 | |
| 429 | M | A | -0.4327 | |
| 430 | P | A | -0.9431 | |
| 431 | A | A | -1.3956 | |
| 432 | R | A | -2.2077 | |
| 433 | R | A | -2.4071 | |
| 434 | A | A | -1.0476 | |
| 435 | S | A | -0.3398 | |
| 436 | L | A | 0.9538 | |
| 437 | S | A | -0.3333 | |
| 438 | H | A | -1.5337 | |
| 439 | P | A | -1.3182 | |
| 440 | R | A | -2.2046 | |
| 441 | D | A | -1.2231 | |
| 442 | I | A | 0.3485 | |
| 443 | G | A | -0.9055 | |
| 444 | C | A | -0.7522 | |
| 445 | D | A | -1.8637 | |
| 446 | Q | A | -2.2920 | |
| 447 | H | A | -1.9576 | |
| 448 | T | A | -1.1209 | |
| 449 | S | A | -0.8615 | |
| 450 | C | A | 0.0000 | |
| 451 | P | A | -0.2515 | |
| 452 | V | A | 0.7408 | |
| 453 | G | A | -0.0534 | |
| 454 | Q | A | -0.4477 | |
| 455 | T | A | -0.0475 | |
| 456 | C | A | 0.0980 | |
| 457 | C | A | 0.0000 | |
| 458 | P | A | -0.4302 | |
| 459 | S | A | -0.4031 | |
| 460 | L | A | 0.3687 | |
| 461 | G | A | -0.0775 | |
| 462 | G | A | -0.3401 | |
| 463 | S | A | -0.4246 | |
| 464 | W | A | -0.0175 | |
| 465 | A | A | -0.0237 | |
| 466 | C | A | 0.2116 | |
| 467 | C | A | 0.0000 | |
| 468 | Q | A | -1.0885 | |
| 469 | L | A | -0.6028 | |
| 470 | P | A | -0.7020 | |
| 471 | H | A | -1.1649 | |
| 472 | A | A | 0.0000 | |
| 473 | V | A | 0.5645 | |
| 474 | C | A | -0.3347 | |
| 475 | C | A | 0.0000 | |
| 476 | E | A | -2.1365 | |
| 477 | D | A | -2.0618 | |
| 478 | R | A | -1.8222 | |
| 479 | Q | A | -1.9687 | |
| 480 | H | A | -1.5502 | |
| 481 | C | A | -0.5278 | |
| 482 | C | A | 0.0000 | |
| 483 | P | A | -0.2443 | |
| 484 | A | A | -0.0713 | |
| 485 | G | A | -0.8262 | |
| 486 | Y | A | -0.7302 | |
| 487 | T | A | -0.7971 | |
| 488 | C | A | -0.9930 | |
| 489 | N | A | -1.7482 | |
| 490 | V | A | -1.9596 | |
| 491 | K | A | -2.1709 | |
| 492 | A | A | -1.7249 | |
| 493 | R | A | -2.5649 | |
| 494 | S | A | -1.5480 | |
| 495 | C | A | -1.0562 | |
| 496 | E | A | -2.1664 | |
| 497 | K | A | -2.2890 | |
| 498 | E | A | -1.5450 | |
| 499 | V | A | 1.0371 | |
| 500 | V | A | 1.6711 | |
| 501 | S | A | 0.5658 | |
| 502 | A | A | 0.0399 | |
| 503 | Q | A | -1.1165 | |
| 504 | P | A | -0.6360 | |
| 505 | A | A | 0.3071 | |
| 506 | T | A | 1.0423 | |
| 507 | F | A | 2.6998 | |
| 508 | L | A | 2.1861 | |
| 509 | A | A | 0.2847 | |
| 510 | R | A | -1.7729 | |
| 511 | S | A | -1.3113 | |
| 512 | P | A | -0.7939 | |
| 513 | H | A | -0.4454 | |
| 514 | V | A | 1.1583 | |
| 515 | G | A | 0.1673 | |
| 516 | V | A | 0.2532 | |
| 517 | K | A | -1.9122 | |
| 518 | D | A | -2.3723 | |
| 519 | V | A | -1.3755 | |
| 520 | E | A | -2.0654 | |
| 521 | C | A | -0.8755 | |
| 522 | G | A | -1.3912 | |
| 523 | E | A | -2.2729 | |
| 524 | G | A | -1.5522 | |
| 525 | H | A | -0.9461 | |
| 526 | F | A | -0.0365 | |
| 527 | C | A | 0.0000 | |
| 528 | H | A | -2.2311 | |
| 529 | D | A | -2.9444 | |
| 530 | N | A | -3.0973 | |
| 531 | Q | A | -2.1588 | |
| 532 | T | A | -0.9803 | |
| 533 | C | A | -0.1412 | |
| 534 | C | A | 0.0000 | |
| 535 | R | A | -1.9122 | |
| 536 | D | A | 0.0000 | |
| 537 | N | A | -3.3808 | |
| 538 | R | A | -3.2543 | |
| 539 | Q | A | -2.7450 | |
| 540 | G | A | -2.0833 | |
| 541 | W | A | -0.9331 | |
| 542 | A | A | -0.3480 | |
| 543 | C | A | 0.6388 | |
| 544 | C | A | 0.0000 | |
| 545 | P | A | -0.9605 | |
| 546 | Y | A | -0.9897 | |
| 547 | R | A | -2.9413 | |
| 548 | Q | A | -2.0780 | |
| 549 | G | A | -0.9256 | |
| 550 | V | A | 0.0675 | |
| 551 | C | A | -0.3150 | |
| 552 | C | A | 0.0000 | |
| 553 | A | A | -1.0973 | |
| 554 | D | A | -2.0926 | |
| 555 | R | A | -2.9174 | |
| 556 | R | A | -3.0000 | |
| 557 | H | A | -1.6657 | |
| 558 | C | A | -0.4553 | |
| 559 | C | A | 0.0000 | |
| 560 | P | A | -0.5708 | |
| 561 | A | A | -1.1665 | |
| 562 | G | A | -1.6642 | |
| 563 | F | A | -1.9669 | |
| 564 | R | A | -2.5339 | |
| 565 | C | A | -1.4892 | |
| 566 | A | A | -1.3701 | |
| 567 | A | A | -1.2754 | |
| 568 | R | A | -2.4002 | |
| 569 | G | A | 0.0000 | |
| 570 | T | A | -1.5984 | |
| 571 | K | A | -2.0949 | |
| 572 | C | A | -1.3405 | |
| 573 | L | A | -1.5477 | |
| 574 | R | A | -3.3194 | |
| 575 | R | A | -3.8374 | |
| 576 | E | A | -3.6727 | |
| 577 | A | A | -2.1142 | |
| 578 | P | A | -1.8207 | |
| 579 | R | A | -2.2944 | |
| 580 | W | A | -0.6416 | |
| 581 | D | A | -1.7250 | |
| 582 | A | A | -1.1206 | |
| 583 | P | A | -0.7452 | |
| 584 | L | A | -0.2076 | |
| 585 | R | A | -2.0959 | |
| 586 | D | A | -2.1834 | |
| 587 | P | A | -1.2629 | |
| 588 | A | A | -0.7860 | |
| 589 | L | A | 0.2137 | |
| 590 | R | A | -1.1146 | |
| 591 | Q | A | -0.4752 | |
| 592 | L | A | 1.4445 | |
| 593 | L | A | 1.7672 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.2384 | 5.9028 | View | CSV | PDB |
| 4.5 | -0.3062 | 5.8248 | View | CSV | PDB |
| 5.0 | -0.3849 | 5.7236 | View | CSV | PDB |
| 5.5 | -0.4616 | 5.7217 | View | CSV | PDB |
| 6.0 | -0.5241 | 5.7217 | View | CSV | PDB |
| 6.5 | -0.5655 | 5.7217 | View | CSV | PDB |
| 7.0 | -0.5893 | 5.7217 | View | CSV | PDB |
| 7.5 | -0.6039 | 5.7217 | View | CSV | PDB |
| 8.0 | -0.6123 | 5.7217 | View | CSV | PDB |
| 8.5 | -0.6124 | 5.7217 | View | CSV | PDB |
| 9.0 | -0.6025 | 5.7217 | 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