| Chain sequence(s) |
A: MGSSHHHHHHMADIKTGIFAKNVQKRLNRAQEKVLQKLGKADETKDEQFEEYVQNFKRQEAEGTRLQRELRGYLAAIKGMQEASMKLTESLHEVYEPDWYGREDVKMVGEKCDVLWEDFHQKLVDGSLLTLDTYLGQFPDIKNRIAKRSRKLVDYDSARHHLEALQSSKRKDESRISKAEEEFQKAQKVFEEFNVDLQEELPSLWSRRVGFYVNTFKNVSSLEAKFHKEIAVLCHKLYEVMTKLGDQHADKAFTIQGAPSDSGPLRIAKTPSPPEEPSPLPSPTASPNHTLAPASPAPARPRSPSQTRKGPPVPPLPKVTPTKELQQENIISFFEDNFVPEISVTTPSQNEVPEVKKEETLLDLDFDPFKPEVTPAGSAGVTHSPMSQTLPWDLWTTSTDLVQPASGGSFNGFTQPQDTSLFTMQTDQSMICNLAESEQAPPTEPKAEEPLAAVTPAVGLDLGMDTRAEEPVEEAVIIPGADADAAVGTLVSAAEGAPGEEAEAEKATVPAGEGVSLEEAKIGTETTEGAESAQPEAEELEATVPQEKVIPSVVIEPASNHEEEGENEITIGAEPKETTEDAAPPGPTSETPELATEQKPIQDPQPTPSAPAMGAADQLASAREASQELPPGFLYKVETLHDFEAANSDELTLQRGDVVLVVPSDSEADQDAGWLVGVKESDWLQYRDLATYKGLFPENFTRRLDHHHHHH
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] (00:00:00)
[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 (00:09:55)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ee26db7849513ea/tmp/folded.pdb (00:09:55)
[INFO] Main: Simulation completed successfully. (00:13:03)
|
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 | 0.5645 | |
| 2 | G | A | -0.5792 | |
| 3 | S | A | -1.1326 | |
| 4 | S | A | -1.6325 | |
| 5 | H | A | -2.6029 | |
| 6 | H | A | -2.9701 | |
| 7 | H | A | -2.8454 | |
| 8 | H | A | -2.9933 | |
| 9 | H | A | -3.1386 | |
| 10 | H | A | -2.7584 | |
| 11 | M | A | -1.5539 | |
| 12 | A | A | -1.7477 | |
| 13 | D | A | -1.9815 | |
| 14 | I | A | -0.1900 | |
| 15 | K | A | -1.0574 | |
| 16 | T | A | -0.2834 | |
| 17 | G | A | 0.1075 | |
| 18 | I | A | 0.9710 | |
| 19 | F | A | 1.2886 | |
| 20 | A | A | -0.1596 | |
| 21 | K | A | -1.5473 | |
| 22 | N | A | -0.8235 | |
| 23 | V | A | -0.6403 | |
| 24 | Q | A | -1.8939 | |
| 25 | K | A | -2.5979 | |
| 26 | R | A | -2.7323 | |
| 27 | L | A | -1.0356 | |
| 28 | N | A | -1.7760 | |
| 29 | R | A | -2.6817 | |
| 30 | A | A | -1.5487 | |
| 31 | Q | A | -1.4384 | |
| 32 | E | A | -2.2842 | |
| 33 | K | A | -2.2879 | |
| 34 | V | A | -0.5815 | |
| 35 | L | A | 0.0000 | |
| 36 | Q | A | -2.3745 | |
| 37 | K | A | -2.7232 | |
| 38 | L | A | -1.4898 | |
| 39 | G | A | -2.2784 | |
| 40 | K | A | -3.1208 | |
| 41 | A | A | -2.2481 | |
| 42 | D | A | -2.6162 | |
| 43 | E | A | -3.6227 | |
| 44 | T | A | -2.6898 | |
| 45 | K | A | -3.0637 | |
| 46 | D | A | -3.4190 | |
| 47 | E | A | -4.0160 | |
| 48 | Q | A | -3.1987 | |
| 49 | F | A | 0.0000 | |
| 50 | E | A | -3.8855 | |
| 51 | E | A | -3.8076 | |
| 52 | Y | A | -2.4451 | |
| 53 | V | A | -2.6855 | |
| 54 | Q | A | -3.3300 | |
| 55 | N | A | -2.5282 | |
| 56 | F | A | 0.0000 | |
| 57 | K | A | -3.4627 | |
| 58 | R | A | -3.1227 | |
| 59 | Q | A | 0.0000 | |
| 60 | E | A | -1.8923 | |
| 61 | A | A | -1.8612 | |
| 62 | E | A | -1.7200 | |
| 63 | G | A | 0.0000 | |
| 64 | T | A | -2.0553 | |
| 65 | R | A | -3.1198 | |
| 66 | L | A | -2.2134 | |
| 67 | Q | A | -2.3405 | |
| 68 | R | A | -3.5909 | |
| 69 | E | A | -3.3299 | |
| 70 | L | A | 0.0000 | |
| 71 | R | A | -1.7622 | |
| 72 | G | A | -1.3080 | |
| 73 | Y | A | -0.7089 | |
| 74 | L | A | 0.0000 | |
| 75 | A | A | -0.3035 | |
| 76 | A | A | -0.1846 | |
| 77 | I | A | 0.0000 | |
| 78 | K | A | -0.9034 | |
| 79 | G | A | -0.7337 | |
| 80 | M | A | -0.3773 | |
| 81 | Q | A | 0.0000 | |
| 82 | E | A | -2.0601 | |
| 83 | A | A | -1.0730 | |
| 84 | S | A | -0.7249 | |
| 85 | M | A | -1.6150 | |
| 86 | K | A | -1.9569 | |
| 87 | L | A | -0.0705 | |
| 88 | T | A | -1.5050 | |
| 89 | E | A | -2.6159 | |
| 90 | S | A | -1.0975 | |
| 91 | L | A | -0.5717 | |
| 92 | H | A | -2.0329 | |
| 93 | E | A | -1.9598 | |
| 94 | V | A | 0.1929 | |
| 95 | Y | A | 0.0000 | |
| 96 | E | A | -2.0136 | |
| 97 | P | A | -1.6007 | |
| 98 | D | A | -2.2707 | |
| 99 | W | A | -1.0813 | |
| 100 | Y | A | -0.9417 | |
| 101 | G | A | -1.3862 | |
| 102 | R | A | -2.2926 | |
| 103 | E | A | -2.7293 | |
| 104 | D | A | -2.2181 | |
| 105 | V | A | 0.0000 | |
| 106 | K | A | -3.1703 | |
| 107 | M | A | -1.9748 | |
| 108 | V | A | 0.0000 | |
| 109 | G | A | 0.0000 | |
| 110 | E | A | -2.5046 | |
| 111 | K | A | -1.8590 | |
| 112 | C | A | -0.7974 | |
| 113 | D | A | -1.0877 | |
| 114 | V | A | 0.1286 | |
| 115 | L | A | -0.9033 | |
| 116 | W | A | -0.7393 | |
| 117 | E | A | -1.4874 | |
| 118 | D | A | -1.6256 | |
| 119 | F | A | 0.0000 | |
| 120 | H | A | 0.0000 | |
| 121 | Q | A | -2.4218 | |
| 122 | K | A | -2.4348 | |
| 123 | L | A | 0.0000 | |
| 124 | V | A | 0.0000 | |
| 125 | D | A | -2.1385 | |
| 126 | G | A | -1.2000 | |
| 127 | S | A | 0.0000 | |
| 128 | L | A | 0.0000 | |
| 129 | L | A | -0.0053 | |
| 130 | T | A | -0.2893 | |
| 131 | L | A | 0.0000 | |
| 132 | D | A | -0.5017 | |
| 133 | T | A | -0.3735 | |
| 134 | Y | A | 0.0000 | |
| 135 | L | A | -0.5683 | |
| 136 | G | A | -1.2479 | |
| 137 | Q | A | -1.6768 | |
| 138 | F | A | 0.0000 | |
| 139 | P | A | -2.1611 | |
| 140 | D | A | -2.9770 | |
| 141 | I | A | 0.0000 | |
| 142 | K | A | -2.8610 | |
| 143 | N | A | -2.8536 | |
| 144 | R | A | -2.2402 | |
| 145 | I | A | -1.3487 | |
| 146 | A | A | -1.7845 | |
| 147 | K | A | -1.7335 | |
| 148 | R | A | 0.0000 | |
| 149 | S | A | -0.4441 | |
| 150 | R | A | -0.6958 | |
| 151 | K | A | -1.0055 | |
| 152 | L | A | -0.4041 | |
| 153 | V | A | -0.4892 | |
| 154 | D | A | -1.0918 | |
| 155 | Y | A | 0.0000 | |
| 156 | D | A | -0.7215 | |
| 157 | S | A | 0.0000 | |
| 158 | A | A | 0.0000 | |
| 159 | R | A | 0.0000 | |
| 160 | H | A | -1.1718 | |
| 161 | H | A | -1.3354 | |
| 162 | L | A | 0.0000 | |
| 163 | E | A | -1.3204 | |
| 164 | A | A | -0.6741 | |
| 165 | L | A | -1.7402 | |
| 166 | Q | A | -2.1178 | |
| 167 | S | A | -1.6360 | |
| 168 | S | A | -1.9495 | |
| 169 | K | A | -3.0117 | |
| 170 | R | A | -3.5896 | |
| 171 | K | A | -3.5559 | |
| 172 | D | A | -3.2520 | |
| 173 | E | A | -3.4713 | |
| 174 | S | A | -2.7710 | |
| 175 | R | A | -3.5527 | |
| 176 | I | A | 0.0000 | |
| 177 | S | A | -2.9891 | |
| 178 | K | A | -3.6707 | |
| 179 | A | A | 0.0000 | |
| 180 | E | A | -3.7453 | |
| 181 | E | A | -4.0892 | |
| 182 | E | A | -3.9412 | |
| 183 | F | A | -3.1507 | |
| 184 | Q | A | -3.5563 | |
| 185 | K | A | -3.4957 | |
| 186 | A | A | -2.4241 | |
| 187 | Q | A | -2.4687 | |
| 188 | K | A | -2.7743 | |
| 189 | V | A | -1.4865 | |
| 190 | F | A | 0.0000 | |
| 191 | E | A | -2.2843 | |
| 192 | E | A | -2.1128 | |
| 193 | F | A | -1.3209 | |
| 194 | N | A | -1.3963 | |
| 195 | V | A | -0.5627 | |
| 196 | D | A | -2.3273 | |
| 197 | L | A | 0.0000 | |
| 198 | Q | A | -1.4280 | |
| 199 | E | A | -2.4379 | |
| 200 | E | A | -1.7741 | |
| 201 | L | A | 0.0000 | |
| 202 | P | A | -1.1325 | |
| 203 | S | A | -1.2396 | |
| 204 | L | A | 0.0000 | |
| 205 | W | A | -0.4053 | |
| 206 | S | A | -0.6850 | |
| 207 | R | A | -1.4570 | |
| 208 | R | A | -0.0379 | |
| 209 | V | A | 1.3721 | |
| 210 | G | A | 0.2786 | |
| 211 | F | A | 0.2464 | |
| 212 | Y | A | 1.0195 | |
| 213 | V | A | 1.5905 | |
| 214 | N | A | -0.3346 | |
| 215 | T | A | 0.0000 | |
| 216 | F | A | 0.8533 | |
| 217 | K | A | -1.1171 | |
| 218 | N | A | -0.9516 | |
| 219 | V | A | -0.4703 | |
| 220 | S | A | -0.7560 | |
| 221 | S | A | -1.0097 | |
| 222 | L | A | -1.4725 | |
| 223 | E | A | -1.8780 | |
| 224 | A | A | -1.9959 | |
| 225 | K | A | -3.0595 | |
| 226 | F | A | 0.0000 | |
| 227 | H | A | -2.4051 | |
| 228 | K | A | -3.0605 | |
| 229 | E | A | -2.6202 | |
| 230 | I | A | -1.2904 | |
| 231 | A | A | -0.5477 | |
| 232 | V | A | 0.6158 | |
| 233 | L | A | 0.0000 | |
| 234 | C | A | 0.1825 | |
| 235 | H | A | -0.3943 | |
| 236 | K | A | -0.6804 | |
| 237 | L | A | -0.2113 | |
| 238 | Y | A | 0.2352 | |
| 239 | E | A | -1.7394 | |
| 240 | V | A | 0.0000 | |
| 241 | M | A | -0.5572 | |
| 242 | T | A | -1.3127 | |
| 243 | K | A | -1.9505 | |
| 244 | L | A | -1.2337 | |
| 245 | G | A | -2.1216 | |
| 246 | D | A | -3.1018 | |
| 247 | Q | A | -2.6393 | |
| 248 | H | A | -2.2086 | |
| 249 | A | A | -2.3093 | |
| 250 | D | A | -2.8455 | |
| 251 | K | A | -2.4333 | |
| 252 | A | A | -0.4358 | |
| 253 | F | A | 1.5962 | |
| 254 | T | A | 1.1782 | |
| 255 | I | A | 1.7513 | |
| 256 | Q | A | -0.2711 | |
| 257 | G | A | -0.5075 | |
| 258 | A | A | -0.4295 | |
| 259 | P | A | -1.0456 | |
| 260 | S | A | -1.3121 | |
| 261 | D | A | -2.2101 | |
| 262 | S | A | -1.1159 | |
| 263 | G | A | -1.1428 | |
| 264 | P | A | -0.2296 | |
| 265 | L | A | 1.0059 | |
| 266 | R | A | -0.5086 | |
| 267 | I | A | 1.0514 | |
| 268 | A | A | -0.2124 | |
| 269 | K | A | -1.5746 | |
| 270 | T | A | -0.8216 | |
| 271 | P | A | -0.9981 | |
| 272 | S | A | -1.1159 | |
| 273 | P | A | -1.2860 | |
| 274 | P | A | -1.9085 | |
| 275 | E | A | -3.0295 | |
| 276 | E | A | -3.0252 | |
| 277 | P | A | -1.5895 | |
| 278 | S | A | -0.8130 | |
| 279 | P | A | -0.0203 | |
| 280 | L | A | 1.1057 | |
| 281 | P | A | 0.2246 | |
| 282 | S | A | -0.1198 | |
| 283 | P | A | -0.2292 | |
| 284 | T | A | -0.3347 | |
| 285 | A | A | -0.3863 | |
| 286 | S | A | -0.8166 | |
| 287 | P | A | -1.1956 | |
| 288 | N | A | -1.7850 | |
| 289 | H | A | -1.2895 | |
| 290 | T | A | -0.1337 | |
| 291 | L | A | 1.0667 | |
| 292 | A | A | 0.5430 | |
| 293 | P | A | 0.0492 | |
| 294 | A | A | -0.0022 | |
| 295 | S | A | -0.3751 | |
| 296 | P | A | -0.4031 | |
| 297 | A | A | -0.4590 | |
| 298 | P | A | -0.7936 | |
| 299 | A | A | -1.3189 | |
| 300 | R | A | -2.4746 | |
| 301 | P | A | -2.1402 | |
| 302 | R | A | -2.6164 | |
| 303 | S | A | -1.7707 | |
| 304 | P | A | -1.3821 | |
| 305 | S | A | -1.5380 | |
| 306 | Q | A | -2.2088 | |
| 307 | T | A | -2.2154 | |
| 308 | R | A | -3.2437 | |
| 309 | K | A | -3.1074 | |
| 310 | G | A | -1.7068 | |
| 311 | P | A | -0.8405 | |
| 312 | P | A | -0.0208 | |
| 313 | V | A | 1.5521 | |
| 314 | P | A | 0.7302 | |
| 315 | P | A | 0.4791 | |
| 316 | L | A | 1.3200 | |
| 317 | P | A | 0.0274 | |
| 318 | K | A | -0.6510 | |
| 319 | V | A | 0.9910 | |
| 320 | T | A | -0.0928 | |
| 321 | P | A | -0.7649 | |
| 322 | T | A | -0.9928 | |
| 323 | K | A | -2.4177 | |
| 324 | E | A | -2.4599 | |
| 325 | L | A | -0.9971 | |
| 326 | Q | A | -2.4838 | |
| 327 | Q | A | -2.5396 | |
| 328 | E | A | -2.3497 | |
| 329 | N | A | -1.0381 | |
| 330 | I | A | 1.9482 | |
| 331 | I | A | 3.0935 | |
| 332 | S | A | 2.0338 | |
| 333 | F | A | 2.7548 | |
| 334 | F | A | 1.5374 | |
| 335 | E | A | -1.3181 | |
| 336 | D | A | -1.5340 | |
| 337 | N | A | -0.8692 | |
| 338 | F | A | 1.0687 | |
| 339 | V | A | 1.7552 | |
| 340 | P | A | 0.6780 | |
| 341 | E | A | -0.0383 | |
| 342 | I | A | 1.7099 | |
| 343 | S | A | 0.9943 | |
| 344 | V | A | 1.9238 | |
| 345 | T | A | 0.8641 | |
| 346 | T | A | 0.0567 | |
| 347 | P | A | -0.6478 | |
| 348 | S | A | -1.5397 | |
| 349 | Q | A | -2.1994 | |
| 350 | N | A | -2.3524 | |
| 351 | E | A | -2.2145 | |
| 352 | V | A | 0.1136 | |
| 353 | P | A | -0.6459 | |
| 354 | E | A | -1.6519 | |
| 355 | V | A | -0.4167 | |
| 356 | K | A | -2.9507 | |
| 357 | K | A | -3.7701 | |
| 358 | E | A | -3.5969 | |
| 359 | E | A | -3.2158 | |
| 360 | T | A | -1.1180 | |
| 361 | L | A | 0.6697 | |
| 362 | L | A | 0.1233 | |
| 363 | D | A | -1.2092 | |
| 364 | L | A | -0.4761 | |
| 365 | D | A | -1.6423 | |
| 366 | F | A | -0.3054 | |
| 367 | D | A | -1.4000 | |
| 368 | P | A | -0.4981 | |
| 369 | F | A | 0.3962 | |
| 370 | K | A | -1.4845 | |
| 371 | P | A | -0.9361 | |
| 372 | E | A | -1.3249 | |
| 373 | V | A | 0.4493 | |
| 374 | T | A | 0.0839 | |
| 375 | P | A | -0.1897 | |
| 376 | A | A | -0.0757 | |
| 377 | G | A | -0.6516 | |
| 378 | S | A | -0.3439 | |
| 379 | A | A | 0.1137 | |
| 380 | G | A | 0.1519 | |
| 381 | V | A | 1.1892 | |
| 382 | T | A | 0.1062 | |
| 383 | H | A | -0.5659 | |
| 384 | S | A | -0.3535 | |
| 385 | P | A | -0.3438 | |
| 386 | M | A | 0.2458 | |
| 387 | S | A | -0.1904 | |
| 388 | Q | A | -0.6268 | |
| 389 | T | A | 0.2736 | |
| 390 | L | A | 1.0749 | |
| 391 | P | A | 0.7164 | |
| 392 | W | A | 1.2452 | |
| 393 | D | A | -0.0540 | |
| 394 | L | A | 1.4188 | |
| 395 | W | A | 1.2903 | |
| 396 | T | A | 0.5036 | |
| 397 | T | A | 0.0183 | |
| 398 | S | A | -0.5134 | |
| 399 | T | A | -0.3785 | |
| 400 | D | A | -0.7984 | |
| 401 | L | A | 1.0944 | |
| 402 | V | A | 1.3643 | |
| 403 | Q | A | -0.2493 | |
| 404 | P | A | -0.2489 | |
| 405 | A | A | -0.4253 | |
| 406 | S | A | -0.8071 | |
| 407 | G | A | -0.6209 | |
| 408 | G | A | -0.4612 | |
| 409 | S | A | -0.1013 | |
| 410 | F | A | 1.1467 | |
| 411 | N | A | -0.1028 | |
| 412 | G | A | 0.2426 | |
| 413 | F | A | 1.1917 | |
| 414 | T | A | -0.1970 | |
| 415 | Q | A | -1.3972 | |
| 416 | P | A | -1.6448 | |
| 417 | Q | A | -2.5852 | |
| 418 | D | A | -2.6590 | |
| 419 | T | A | -0.8019 | |
| 420 | S | A | 0.3682 | |
| 421 | L | A | 2.5892 | |
| 422 | F | A | 2.8388 | |
| 423 | T | A | 1.4108 | |
| 424 | M | A | 1.0503 | |
| 425 | Q | A | -0.9303 | |
| 426 | T | A | -1.5816 | |
| 427 | D | A | -2.7411 | |
| 428 | Q | A | -1.9996 | |
| 429 | S | A | -0.1622 | |
| 430 | M | A | 1.8248 | |
| 431 | I | A | 2.5849 | |
| 432 | C | A | 1.7702 | |
| 433 | N | A | 0.3849 | |
| 434 | L | A | 0.6233 | |
| 435 | A | A | -0.5365 | |
| 436 | E | A | -1.9273 | |
| 437 | S | A | -2.3475 | |
| 438 | E | A | -2.8955 | |
| 439 | Q | A | -2.1545 | |
| 440 | A | A | -1.1063 | |
| 441 | P | A | -0.6118 | |
| 442 | P | A | -0.8163 | |
| 443 | T | A | -1.3566 | |
| 444 | E | A | -2.4100 | |
| 445 | P | A | -2.2526 | |
| 446 | K | A | -2.8525 | |
| 447 | A | A | -2.0671 | |
| 448 | E | A | -3.0999 | |
| 449 | E | A | -2.6990 | |
| 450 | P | A | -0.7492 | |
| 451 | L | A | 0.8559 | |
| 452 | A | A | 1.0858 | |
| 453 | A | A | 1.2642 | |
| 454 | V | A | 1.7282 | |
| 455 | T | A | 0.7042 | |
| 456 | P | A | 0.4735 | |
| 457 | A | A | 0.8097 | |
| 458 | V | A | 1.6397 | |
| 459 | G | A | 0.8514 | |
| 460 | L | A | 1.1526 | |
| 461 | D | A | -0.3145 | |
| 462 | L | A | 0.8164 | |
| 463 | G | A | 0.2052 | |
| 464 | M | A | 0.1433 | |
| 465 | D | A | -1.5504 | |
| 466 | T | A | -1.7001 | |
| 467 | R | A | -2.6198 | |
| 468 | A | A | -2.1356 | |
| 469 | E | A | -3.0426 | |
| 470 | E | A | -2.6890 | |
| 471 | P | A | -1.1257 | |
| 472 | V | A | -0.3691 | |
| 473 | E | A | -1.8161 | |
| 474 | E | A | -1.5880 | |
| 475 | A | A | 0.5897 | |
| 476 | V | A | 2.5950 | |
| 477 | I | A | 3.5531 | |
| 478 | I | A | 3.2130 | |
| 479 | P | A | 0.9380 | |
| 480 | G | A | -0.2837 | |
| 481 | A | A | -1.2188 | |
| 482 | D | A | -2.2547 | |
| 483 | A | A | -1.6529 | |
| 484 | D | A | -1.9345 | |
| 485 | A | A | -0.4308 | |
| 486 | A | A | 0.3774 | |
| 487 | V | A | 1.5493 | |
| 488 | G | A | 0.7469 | |
| 489 | T | A | 1.3647 | |
| 490 | L | A | 2.3788 | |
| 491 | V | A | 2.3930 | |
| 492 | S | A | 1.1614 | |
| 493 | A | A | -0.0585 | |
| 494 | A | A | -1.0495 | |
| 495 | E | A | -1.9855 | |
| 496 | G | A | -1.3982 | |
| 497 | A | A | -0.8247 | |
| 498 | P | A | -0.9478 | |
| 499 | G | A | -1.8752 | |
| 500 | E | A | -3.0663 | |
| 501 | E | A | -3.2755 | |
| 502 | A | A | -2.1028 | |
| 503 | E | A | -2.5867 | |
| 504 | A | A | -2.0366 | |
| 505 | E | A | -3.0893 | |
| 506 | K | A | -2.4401 | |
| 507 | A | A | -0.7984 | |
| 508 | T | A | 0.1561 | |
| 509 | V | A | 1.4085 | |
| 510 | P | A | 0.2991 | |
| 511 | A | A | -0.3969 | |
| 512 | G | A | -1.2747 | |
| 513 | E | A | -1.9334 | |
| 514 | G | A | -0.7693 | |
| 515 | V | A | 1.1790 | |
| 516 | S | A | 0.6152 | |
| 517 | L | A | 0.5202 | |
| 518 | E | A | -1.9905 | |
| 519 | E | A | -2.5331 | |
| 520 | A | A | -1.4638 | |
| 521 | K | A | -1.4629 | |
| 522 | I | A | 0.5565 | |
| 523 | G | A | -0.3816 | |
| 524 | T | A | -0.8073 | |
| 525 | E | A | -1.8022 | |
| 526 | T | A | -1.5388 | |
| 527 | T | A | -1.5612 | |
| 528 | E | A | -2.0818 | |
| 529 | G | A | -1.7756 | |
| 530 | A | A | -1.5472 | |
| 531 | E | A | -2.1292 | |
| 532 | S | A | -1.5428 | |
| 533 | A | A | -1.3051 | |
| 534 | Q | A | -1.9636 | |
| 535 | P | A | -1.9286 | |
| 536 | E | A | -2.8993 | |
| 537 | A | A | -2.1768 | |
| 538 | E | A | -2.9762 | |
| 539 | E | A | -2.6774 | |
| 540 | L | A | -0.7084 | |
| 541 | E | A | -1.5786 | |
| 542 | A | A | -0.1753 | |
| 543 | T | A | 0.2409 | |
| 544 | V | A | 0.8082 | |
| 545 | P | A | -0.7314 | |
| 546 | Q | A | -1.9751 | |
| 547 | E | A | -2.2884 | |
| 548 | K | A | -1.5319 | |
| 549 | V | A | 1.1295 | |
| 550 | I | A | 2.1748 | |
| 551 | P | A | 1.6623 | |
| 552 | S | A | 2.1576 | |
| 553 | V | A | 3.0829 | |
| 554 | V | A | 2.9434 | |
| 555 | I | A | 2.4338 | |
| 556 | E | A | -0.1998 | |
| 557 | P | A | -0.5551 | |
| 558 | A | A | -0.8693 | |
| 559 | S | A | -1.7312 | |
| 560 | N | A | -2.6658 | |
| 561 | H | A | -3.3587 | |
| 562 | E | A | -4.1496 | |
| 563 | E | A | -4.4540 | |
| 564 | E | A | -4.2368 | |
| 565 | G | A | -3.6962 | |
| 566 | E | A | -3.6993 | |
| 567 | N | A | -2.8390 | |
| 568 | E | A | -1.8309 | |
| 569 | I | A | 0.9878 | |
| 570 | T | A | 1.1423 | |
| 571 | I | A | 2.1081 | |
| 572 | G | A | 0.3098 | |
| 573 | A | A | -0.7149 | |
| 574 | E | A | -2.6172 | |
| 575 | P | A | -2.4236 | |
| 576 | K | A | -3.2981 | |
| 577 | E | A | -3.0776 | |
| 578 | T | A | -1.7433 | |
| 579 | T | A | -1.7728 | |
| 580 | E | A | -2.7424 | |
| 581 | D | A | -2.6615 | |
| 582 | A | A | -1.3154 | |
| 583 | A | A | -0.5100 | |
| 584 | P | A | -0.4508 | |
| 585 | P | A | -0.6610 | |
| 586 | G | A | -0.8032 | |
| 587 | P | A | -0.6420 | |
| 588 | T | A | -0.8096 | |
| 589 | S | A | -1.2089 | |
| 590 | E | A | -2.0316 | |
| 591 | T | A | -1.6085 | |
| 592 | P | A | -1.1957 | |
| 593 | E | A | -1.1086 | |
| 594 | L | A | 0.5078 | |
| 595 | A | A | -0.0735 | |
| 596 | T | A | -1.0304 | |
| 597 | E | A | -2.7885 | |
| 598 | Q | A | -3.0864 | |
| 599 | K | A | -2.5062 | |
| 600 | P | A | -0.6331 | |
| 601 | I | A | 0.4870 | |
| 602 | Q | A | -1.1731 | |
| 603 | D | A | -2.3905 | |
| 604 | P | A | -1.8423 | |
| 605 | Q | A | -2.0798 | |
| 606 | P | A | -1.2238 | |
| 607 | T | A | -0.7214 | |
| 608 | P | A | -0.6183 | |
| 609 | S | A | -0.4170 | |
| 610 | A | A | -0.0608 | |
| 611 | P | A | -0.0546 | |
| 612 | A | A | 0.3009 | |
| 613 | M | A | 0.5780 | |
| 614 | G | A | -0.5383 | |
| 615 | A | A | -0.3689 | |
| 616 | A | A | -0.5710 | |
| 617 | D | A | -1.8218 | |
| 618 | Q | A | -1.5866 | |
| 619 | L | A | 0.0393 | |
| 620 | A | A | -1.0365 | |
| 621 | S | A | -1.4431 | |
| 622 | A | A | -1.5247 | |
| 623 | R | A | -2.6378 | |
| 624 | E | A | -2.9713 | |
| 625 | A | A | -2.1857 | |
| 626 | S | A | -2.1077 | |
| 627 | Q | A | -2.2285 | |
| 628 | E | A | -2.1254 | |
| 629 | L | A | -0.3351 | |
| 630 | P | A | 0.0000 | |
| 631 | P | A | -0.1963 | |
| 632 | G | A | 0.0733 | |
| 633 | F | A | 0.7425 | |
| 634 | L | A | 1.2340 | |
| 635 | Y | A | -0.1361 | |
| 636 | K | A | -1.4656 | |
| 637 | V | A | 0.0000 | |
| 638 | E | A | -1.8616 | |
| 639 | T | A | 0.0000 | |
| 640 | L | A | -1.8235 | |
| 641 | H | A | -2.6025 | |
| 642 | D | A | -3.5762 | |
| 643 | F | A | 0.0000 | |
| 644 | E | A | -2.4330 | |
| 645 | A | A | -1.2315 | |
| 646 | A | A | -0.8249 | |
| 647 | N | A | -1.2463 | |
| 648 | S | A | -1.1610 | |
| 649 | D | A | -2.0008 | |
| 650 | E | A | 0.0000 | |
| 651 | L | A | -0.8827 | |
| 652 | T | A | -1.5072 | |
| 653 | L | A | 0.0000 | |
| 654 | Q | A | -3.3116 | |
| 655 | R | A | -3.3771 | |
| 656 | G | A | -2.0282 | |
| 657 | D | A | -1.8037 | |
| 658 | V | A | -1.1108 | |
| 659 | V | A | 0.0000 | |
| 660 | L | A | 0.0000 | |
| 661 | V | A | 0.0000 | |
| 662 | V | A | 0.0000 | |
| 663 | P | A | -0.7570 | |
| 664 | S | A | -1.5679 | |
| 665 | D | A | -2.3476 | |
| 666 | S | A | -1.9491 | |
| 667 | E | A | -2.6142 | |
| 668 | A | A | 0.0000 | |
| 669 | D | A | 0.0000 | |
| 670 | Q | A | -2.4713 | |
| 671 | D | A | -2.4393 | |
| 672 | A | A | -1.4621 | |
| 673 | G | A | -1.7819 | |
| 674 | W | A | 0.0000 | |
| 675 | L | A | 0.0000 | |
| 676 | V | A | 0.0000 | |
| 677 | G | A | 0.0000 | |
| 678 | V | A | 0.0000 | |
| 679 | K | A | -0.8574 | |
| 680 | E | A | -1.0181 | |
| 681 | S | A | -0.9044 | |
| 682 | D | A | -1.1649 | |
| 683 | W | A | -1.2953 | |
| 684 | L | A | -1.0721 | |
| 685 | Q | A | -1.3029 | |
| 686 | Y | A | -0.5332 | |
| 687 | R | A | -2.1145 | |
| 688 | D | A | -1.3148 | |
| 689 | L | A | -0.6734 | |
| 690 | A | A | -0.4352 | |
| 691 | T | A | -0.5471 | |
| 692 | Y | A | -0.5518 | |
| 693 | K | A | -0.9767 | |
| 694 | G | A | 0.0000 | |
| 695 | L | A | -0.7090 | |
| 696 | F | A | 0.0000 | |
| 697 | P | A | 0.0000 | |
| 698 | E | A | -2.3280 | |
| 699 | N | A | -2.2222 | |
| 700 | F | A | 0.0000 | |
| 701 | T | A | 0.0000 | |
| 702 | R | A | -3.2167 | |
| 703 | R | A | -3.3924 | |
| 704 | L | A | -2.2808 | |
| 705 | D | A | -3.3277 | |
| 706 | H | A | -2.9794 | |
| 707 | H | A | -2.9057 | |
| 708 | H | A | -2.9848 | |
| 709 | H | A | -2.7469 | |
| 710 | H | A | -2.4221 | |
| 711 | H | A | -1.9395 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.3496 | 6.8717 | View | CSV | PDB |
| 4.5 | -0.4731 | 6.7776 | View | CSV | PDB |
| 5.0 | -0.6294 | 6.6241 | View | CSV | PDB |
| 5.5 | -0.7878 | 6.4274 | View | CSV | PDB |
| 6.0 | -0.9191 | 6.2168 | View | CSV | PDB |
| 6.5 | -1.0038 | 6.0219 | View | CSV | PDB |
| 7.0 | -1.0388 | 5.8633 | View | CSV | PDB |
| 7.5 | -1.0378 | 5.7397 | View | CSV | PDB |
| 8.0 | -1.017 | 5.639 | View | CSV | PDB |
| 8.5 | -0.9834 | 5.639 | View | CSV | PDB |
| 9.0 | -0.9366 | 5.639 | 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