| Chain sequence(s) |
A: MEEEKVRVRLVFEDRRILSKYQKKQGLTRSWVVLNRKCHRTISEFSDHIFHTFSLCEACPHGLSLSMEGFVLPPFESSCVLKDKDIVCVKKKKESLLEIVGEDSDENVYNAIEVEERPQIRPGEMLLANEEFQKETGGYESESEEDELEEEAEEFVPEKKASKKRKTSSKNQSTKRKKCKLDTTEESPDERENTAVVSNVVKKKKKKKSLDVQSANNDEQNNDSTKPMTKSKRSSQQEESKEHNDLCQLSAETKKTPSRSARRKKAKRQWLREKTKLEKEELLQTQLVVAPSQKPVITIDHQATKEKHCETLENQQAEEVSDGFGDEVVPVEVRPGHIRFKPLAGTDEASLDSEPLVENVLWNGNMTKKKGQKWGTEKSGFSKRYAQDFNEDATTQPAEAETLANCPIDYEQLVAYTGSVKKGDVIAYRLIELTSSWTPEVSSFRVGKISYYDPDSKMVTLMPVQEFPIEKKTEEDDDFCMQPDTSLYKEDGSLEIEFSALLDVRSVKTSSSDSAEVAKSALPEPDQSAKKPKLSANKELQTPAKENGEVSPWEELSEALSAKKAALSQANNGWNKKGSSSGGSWSYKALRGSAMGPVMNYLRSQKEI
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 (00:07:42)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/bf603e5403220af/tmp/folded.pdb (00:07:42)
[INFO] Main: Simulation completed successfully. (00:10:24)
|
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 | -0.4939 | |
| 2 | E | A | -2.8546 | |
| 3 | E | A | -4.1753 | |
| 4 | E | A | -4.1020 | |
| 5 | K | A | -4.1460 | |
| 6 | V | A | 0.0000 | |
| 7 | R | A | -2.2566 | |
| 8 | V | A | 0.0000 | |
| 9 | R | A | -1.3085 | |
| 10 | L | A | 0.0000 | |
| 11 | V | A | -0.6838 | |
| 12 | F | A | 0.0000 | |
| 13 | E | A | -2.2724 | |
| 14 | D | A | -2.4449 | |
| 15 | R | A | -3.5087 | |
| 16 | R | A | -3.2958 | |
| 17 | I | A | 0.0000 | |
| 18 | L | A | 0.0000 | |
| 19 | S | A | -1.7980 | |
| 20 | K | A | -2.3176 | |
| 21 | Y | A | -0.6243 | |
| 22 | Q | A | -1.1793 | |
| 23 | K | A | -2.4274 | |
| 24 | K | A | -2.5298 | |
| 25 | Q | A | -2.2332 | |
| 26 | G | A | -1.7447 | |
| 27 | L | A | -0.9035 | |
| 28 | T | A | -1.8248 | |
| 29 | R | A | -1.8917 | |
| 30 | S | A | -0.4209 | |
| 31 | W | A | 0.0801 | |
| 32 | V | A | 0.0000 | |
| 33 | V | A | -0.8419 | |
| 34 | L | A | 0.0000 | |
| 35 | N | A | -2.3172 | |
| 36 | R | A | -2.6052 | |
| 37 | K | A | -2.8730 | |
| 38 | C | A | -0.8284 | |
| 39 | H | A | 0.0000 | |
| 40 | R | A | -2.1094 | |
| 41 | T | A | -0.6825 | |
| 42 | I | A | 0.0000 | |
| 43 | S | A | -0.9388 | |
| 44 | E | A | -1.5144 | |
| 45 | F | A | 0.0000 | |
| 46 | S | A | -1.2660 | |
| 47 | D | A | -2.2184 | |
| 48 | H | A | -1.4588 | |
| 49 | I | A | 0.0000 | |
| 50 | F | A | -0.9754 | |
| 51 | H | A | -1.3711 | |
| 52 | T | A | -0.8568 | |
| 53 | F | A | 0.0000 | |
| 54 | S | A | -0.6853 | |
| 55 | L | A | 0.0000 | |
| 56 | C | A | -0.5552 | |
| 57 | E | A | -1.6634 | |
| 58 | A | A | -1.3051 | |
| 59 | C | A | 0.0000 | |
| 60 | P | A | -1.0276 | |
| 61 | H | A | -2.0069 | |
| 62 | G | A | -1.4801 | |
| 63 | L | A | -1.1834 | |
| 64 | S | A | -0.7114 | |
| 65 | L | A | 0.0000 | |
| 66 | S | A | 0.0000 | |
| 67 | M | A | 0.2641 | |
| 68 | E | A | -1.1169 | |
| 69 | G | A | -0.0380 | |
| 70 | F | A | 1.8454 | |
| 71 | V | A | 1.7841 | |
| 72 | L | A | 0.0000 | |
| 73 | P | A | 0.7575 | |
| 74 | P | A | 0.4507 | |
| 75 | F | A | 1.1409 | |
| 76 | E | A | 0.0505 | |
| 77 | S | A | -0.3056 | |
| 78 | S | A | 0.0000 | |
| 79 | C | A | -0.3653 | |
| 80 | V | A | 0.2534 | |
| 81 | L | A | 0.0000 | |
| 82 | K | A | -2.7228 | |
| 83 | D | A | -3.2111 | |
| 84 | K | A | -2.9200 | |
| 85 | D | A | -2.0600 | |
| 86 | I | A | -0.9093 | |
| 87 | V | A | 0.0000 | |
| 88 | C | A | -0.3588 | |
| 89 | V | A | 0.0000 | |
| 90 | K | A | -1.7178 | |
| 91 | K | A | -2.4781 | |
| 92 | K | A | -2.7194 | |
| 93 | K | A | -3.1543 | |
| 94 | E | A | -2.5121 | |
| 95 | S | A | -0.6558 | |
| 96 | L | A | 1.3474 | |
| 97 | L | A | 1.8067 | |
| 98 | E | A | 0.6545 | |
| 99 | I | A | 2.5818 | |
| 100 | V | A | 1.6879 | |
| 101 | G | A | -0.8061 | |
| 102 | E | A | -2.7931 | |
| 103 | D | A | -3.3448 | |
| 104 | S | A | -3.0642 | |
| 105 | D | A | -3.3370 | |
| 106 | E | A | -2.8989 | |
| 107 | N | A | -1.8405 | |
| 108 | V | A | 0.7452 | |
| 109 | Y | A | 1.1632 | |
| 110 | N | A | -0.2140 | |
| 111 | A | A | 0.8540 | |
| 112 | I | A | 1.2598 | |
| 113 | E | A | -0.8653 | |
| 114 | V | A | 0.2008 | |
| 115 | E | A | -2.4488 | |
| 116 | E | A | -3.4539 | |
| 117 | R | A | -3.3652 | |
| 118 | P | A | -1.9769 | |
| 119 | Q | A | -1.5936 | |
| 120 | I | A | 0.1085 | |
| 121 | R | A | -1.4230 | |
| 122 | P | A | -1.2410 | |
| 123 | G | A | -1.2647 | |
| 124 | E | A | -1.2510 | |
| 125 | M | A | 1.2795 | |
| 126 | L | A | 2.4464 | |
| 127 | L | A | 2.1609 | |
| 128 | A | A | 0.0568 | |
| 129 | N | A | -2.1535 | |
| 130 | E | A | -3.0008 | |
| 131 | E | A | -2.3441 | |
| 132 | F | A | -0.5479 | |
| 133 | Q | A | -2.0872 | |
| 134 | K | A | -2.9439 | |
| 135 | E | A | -3.1929 | |
| 136 | T | A | -1.6249 | |
| 137 | G | A | -0.8466 | |
| 138 | G | A | -0.4529 | |
| 139 | Y | A | -0.0698 | |
| 140 | E | A | -1.6603 | |
| 141 | S | A | -1.8527 | |
| 142 | E | A | -2.7822 | |
| 143 | S | A | -2.4674 | |
| 144 | E | A | -3.5328 | |
| 145 | E | A | -4.1166 | |
| 146 | D | A | -3.7970 | |
| 147 | E | A | -2.7972 | |
| 148 | L | A | -1.0607 | |
| 149 | E | A | -2.6597 | |
| 150 | E | A | -3.3008 | |
| 151 | E | A | -3.5285 | |
| 152 | A | A | -2.6285 | |
| 153 | E | A | -2.6253 | |
| 154 | E | A | -1.3728 | |
| 155 | F | A | 1.4293 | |
| 156 | V | A | 1.8126 | |
| 157 | P | A | -0.2127 | |
| 158 | E | A | -2.7239 | |
| 159 | K | A | -3.4304 | |
| 160 | K | A | -2.8821 | |
| 161 | A | A | -1.7264 | |
| 162 | S | A | -1.8152 | |
| 163 | K | A | -2.9735 | |
| 164 | K | A | -3.8658 | |
| 165 | R | A | -3.9423 | |
| 166 | K | A | -3.1735 | |
| 167 | T | A | -1.4113 | |
| 168 | S | A | -1.1966 | |
| 169 | S | A | -1.5025 | |
| 170 | K | A | -2.7566 | |
| 171 | N | A | -2.8145 | |
| 172 | Q | A | -2.3264 | |
| 173 | S | A | -1.6896 | |
| 174 | T | A | -1.6451 | |
| 175 | K | A | -3.0699 | |
| 176 | R | A | -3.9351 | |
| 177 | K | A | -3.8515 | |
| 178 | K | A | -3.0693 | |
| 179 | C | A | -1.1532 | |
| 180 | K | A | -1.6175 | |
| 181 | L | A | -0.0112 | |
| 182 | D | A | -1.6409 | |
| 183 | T | A | -1.0628 | |
| 184 | T | A | -1.9624 | |
| 185 | E | A | -2.9729 | |
| 186 | E | A | -2.8764 | |
| 187 | S | A | -2.1573 | |
| 188 | P | A | -2.0248 | |
| 189 | D | A | -3.2597 | |
| 190 | E | A | -4.2145 | |
| 191 | R | A | -4.4648 | |
| 192 | E | A | -3.8245 | |
| 193 | N | A | -2.3800 | |
| 194 | T | A | -0.7168 | |
| 195 | A | A | 0.9367 | |
| 196 | V | A | 2.4887 | |
| 197 | V | A | 2.2478 | |
| 198 | S | A | 0.7575 | |
| 199 | N | A | 0.2420 | |
| 200 | V | A | 1.7532 | |
| 201 | V | A | 1.3693 | |
| 202 | K | A | -1.8639 | |
| 203 | K | A | -3.7109 | |
| 204 | K | A | -4.1571 | |
| 205 | K | A | -4.3233 | |
| 206 | K | A | -4.4150 | |
| 207 | K | A | -3.8811 | |
| 208 | K | A | -2.7198 | |
| 209 | S | A | -0.8496 | |
| 210 | L | A | 0.3991 | |
| 211 | D | A | -0.3400 | |
| 212 | V | A | 0.5241 | |
| 213 | Q | A | -0.5552 | |
| 214 | S | A | -0.7012 | |
| 215 | A | A | -1.2878 | |
| 216 | N | A | -2.2441 | |
| 217 | N | A | -3.1341 | |
| 218 | D | A | -3.8084 | |
| 219 | E | A | -3.7887 | |
| 220 | Q | A | -3.3267 | |
| 221 | N | A | -3.2277 | |
| 222 | N | A | -3.1023 | |
| 223 | D | A | -2.8151 | |
| 224 | S | A | -1.7901 | |
| 225 | T | A | -1.4666 | |
| 226 | K | A | -1.6857 | |
| 227 | P | A | -0.9464 | |
| 228 | M | A | 0.0806 | |
| 229 | T | A | -0.4477 | |
| 230 | K | A | -1.9740 | |
| 231 | S | A | -2.3910 | |
| 232 | K | A | -3.2085 | |
| 233 | R | A | -2.9427 | |
| 234 | S | A | -1.8162 | |
| 235 | S | A | -1.5647 | |
| 236 | Q | A | -2.4174 | |
| 237 | Q | A | -3.1837 | |
| 238 | E | A | -3.8899 | |
| 239 | E | A | -3.7659 | |
| 240 | S | A | -2.7125 | |
| 241 | K | A | -3.6520 | |
| 242 | E | A | -3.9115 | |
| 243 | H | A | -3.1176 | |
| 244 | N | A | -2.9214 | |
| 245 | D | A | -1.8360 | |
| 246 | L | A | 0.3166 | |
| 247 | C | A | 0.8446 | |
| 248 | Q | A | 0.2495 | |
| 249 | L | A | 0.7908 | |
| 250 | S | A | -0.2399 | |
| 251 | A | A | -0.9686 | |
| 252 | E | A | -2.3870 | |
| 253 | T | A | -2.2919 | |
| 254 | K | A | -3.0919 | |
| 255 | K | A | -2.8915 | |
| 256 | T | A | -1.9244 | |
| 257 | P | A | -2.1796 | |
| 258 | S | A | -2.2969 | |
| 259 | R | A | -3.4642 | |
| 260 | S | A | -2.8937 | |
| 261 | A | A | -3.2668 | |
| 262 | R | A | -4.7020 | |
| 263 | R | A | -5.2826 | |
| 264 | K | A | -5.3033 | |
| 265 | K | A | -4.9878 | |
| 266 | A | A | -3.9085 | |
| 267 | K | A | -4.5114 | |
| 268 | R | A | -4.6995 | |
| 269 | Q | A | -3.8104 | |
| 270 | W | A | -1.9834 | |
| 271 | L | A | -2.0711 | |
| 272 | R | A | -3.7733 | |
| 273 | E | A | -3.7747 | |
| 274 | K | A | -2.7089 | |
| 275 | T | A | -3.0576 | |
| 276 | K | A | -3.8042 | |
| 277 | L | A | -2.4513 | |
| 278 | E | A | -3.6325 | |
| 279 | K | A | -3.5475 | |
| 280 | E | A | -3.5637 | |
| 281 | E | A | -3.1785 | |
| 282 | L | A | -0.9061 | |
| 283 | L | A | -0.4645 | |
| 284 | Q | A | -0.9593 | |
| 285 | T | A | -0.0288 | |
| 286 | Q | A | 0.3471 | |
| 287 | L | A | 2.3567 | |
| 288 | V | A | 2.8166 | |
| 289 | V | A | 2.6024 | |
| 290 | A | A | 1.3292 | |
| 291 | P | A | -0.1746 | |
| 292 | S | A | -1.3125 | |
| 293 | Q | A | -2.0572 | |
| 294 | K | A | -1.8103 | |
| 295 | P | A | 0.0205 | |
| 296 | V | A | 2.2754 | |
| 297 | I | A | 3.0347 | |
| 298 | T | A | 1.7718 | |
| 299 | I | A | 1.4998 | |
| 300 | D | A | -1.6207 | |
| 301 | H | A | -2.0801 | |
| 302 | Q | A | -2.2374 | |
| 303 | A | A | -1.6127 | |
| 304 | T | A | -1.5999 | |
| 305 | K | A | -3.2388 | |
| 306 | E | A | -3.8090 | |
| 307 | K | A | -3.3187 | |
| 308 | H | A | -2.3343 | |
| 309 | C | A | -1.1025 | |
| 310 | E | A | -1.5097 | |
| 311 | T | A | -0.5512 | |
| 312 | L | A | -0.0535 | |
| 313 | E | A | -2.1659 | |
| 314 | N | A | -2.6893 | |
| 315 | Q | A | -2.8005 | |
| 316 | Q | A | -2.3897 | |
| 317 | A | A | -2.1747 | |
| 318 | E | A | -2.6147 | |
| 319 | E | A | -1.9622 | |
| 320 | V | A | -0.1104 | |
| 321 | S | A | -0.7048 | |
| 322 | D | A | -1.3678 | |
| 323 | G | A | -0.5687 | |
| 324 | F | A | 0.5217 | |
| 325 | G | A | -1.1006 | |
| 326 | D | A | -2.2778 | |
| 327 | E | A | -1.9339 | |
| 328 | V | A | -0.4069 | |
| 329 | V | A | 0.1272 | |
| 330 | P | A | -0.0174 | |
| 331 | V | A | -0.2596 | |
| 332 | E | A | -1.8463 | |
| 333 | V | A | -1.0896 | |
| 334 | R | A | -2.4922 | |
| 335 | P | A | -1.7246 | |
| 336 | G | A | -1.7546 | |
| 337 | H | A | -1.6733 | |
| 338 | I | A | -0.7728 | |
| 339 | R | A | -1.2394 | |
| 340 | F | A | 0.6609 | |
| 341 | K | A | -0.6512 | |
| 342 | P | A | -0.7160 | |
| 343 | L | A | 0.0477 | |
| 344 | A | A | -0.3975 | |
| 345 | G | A | -1.2120 | |
| 346 | T | A | -1.4007 | |
| 347 | D | A | -2.8956 | |
| 348 | E | A | -2.8637 | |
| 349 | A | A | -1.0174 | |
| 350 | S | A | -0.1424 | |
| 351 | L | A | 0.3234 | |
| 352 | D | A | -1.5726 | |
| 353 | S | A | -1.7400 | |
| 354 | E | A | -2.0106 | |
| 355 | P | A | -0.2186 | |
| 356 | L | A | 1.5394 | |
| 357 | V | A | 1.1539 | |
| 358 | E | A | -0.7247 | |
| 359 | N | A | -0.3764 | |
| 360 | V | A | 1.6715 | |
| 361 | L | A | 2.2949 | |
| 362 | W | A | 1.3560 | |
| 363 | N | A | -0.5552 | |
| 364 | G | A | -0.9303 | |
| 365 | N | A | -1.1891 | |
| 366 | M | A | -0.7554 | |
| 367 | T | A | -1.6013 | |
| 368 | K | A | -2.9694 | |
| 369 | K | A | -3.4985 | |
| 370 | K | A | -3.5475 | |
| 371 | G | A | -2.8047 | |
| 372 | Q | A | -2.8932 | |
| 373 | K | A | -2.5382 | |
| 374 | W | A | -0.8258 | |
| 375 | G | A | -1.2875 | |
| 376 | T | A | -1.6819 | |
| 377 | E | A | -2.9273 | |
| 378 | K | A | -2.6482 | |
| 379 | S | A | -1.2979 | |
| 380 | G | A | -0.5236 | |
| 381 | F | A | 0.7509 | |
| 382 | S | A | -0.6705 | |
| 383 | K | A | -2.0068 | |
| 384 | R | A | -2.0062 | |
| 385 | Y | A | -0.4687 | |
| 386 | A | A | -0.7344 | |
| 387 | Q | A | -1.5620 | |
| 388 | D | A | -1.7983 | |
| 389 | F | A | -0.4709 | |
| 390 | N | A | -2.2145 | |
| 391 | E | A | -3.0098 | |
| 392 | D | A | -2.7614 | |
| 393 | A | A | -1.5817 | |
| 394 | T | A | -1.0606 | |
| 395 | T | A | -0.9207 | |
| 396 | Q | A | -1.5550 | |
| 397 | P | A | -1.2395 | |
| 398 | A | A | -1.2420 | |
| 399 | E | A | -2.4023 | |
| 400 | A | A | -1.7390 | |
| 401 | E | A | -1.9439 | |
| 402 | T | A | -0.5315 | |
| 403 | L | A | 0.9532 | |
| 404 | A | A | 0.1753 | |
| 405 | N | A | -0.7615 | |
| 406 | C | A | 0.1615 | |
| 407 | P | A | -0.2897 | |
| 408 | I | A | -0.5712 | |
| 409 | D | A | -1.9589 | |
| 410 | Y | A | -1.4641 | |
| 411 | E | A | -2.5065 | |
| 412 | Q | A | -1.8592 | |
| 413 | L | A | -0.4381 | |
| 414 | V | A | 1.1678 | |
| 415 | A | A | 0.3207 | |
| 416 | Y | A | 0.3154 | |
| 417 | T | A | 0.0749 | |
| 418 | G | A | -0.7821 | |
| 419 | S | A | -0.7806 | |
| 420 | V | A | -1.1494 | |
| 421 | K | A | -2.4982 | |
| 422 | K | A | -2.3464 | |
| 423 | G | A | -1.5194 | |
| 424 | D | A | -1.8354 | |
| 425 | V | A | 0.0000 | |
| 426 | I | A | 0.0000 | |
| 427 | A | A | 0.0000 | |
| 428 | Y | A | 0.0000 | |
| 429 | R | A | -0.2566 | |
| 430 | L | A | 0.0000 | |
| 431 | I | A | 0.9181 | |
| 432 | E | A | 0.2721 | |
| 433 | L | A | 0.7481 | |
| 434 | T | A | 0.3050 | |
| 435 | S | A | 0.1466 | |
| 436 | S | A | 0.3599 | |
| 437 | W | A | 0.9352 | |
| 438 | T | A | 0.2751 | |
| 439 | P | A | -0.0895 | |
| 440 | E | A | -0.6821 | |
| 441 | V | A | 0.4399 | |
| 442 | S | A | 0.0000 | |
| 443 | S | A | -0.2885 | |
| 444 | F | A | -0.3902 | |
| 445 | R | A | -0.4015 | |
| 446 | V | A | 0.0000 | |
| 447 | G | A | 0.0000 | |
| 448 | K | A | -0.9296 | |
| 449 | I | A | 0.0000 | |
| 450 | S | A | -0.3242 | |
| 451 | Y | A | 0.3543 | |
| 452 | Y | A | -0.8640 | |
| 453 | D | A | -1.4827 | |
| 454 | P | A | -1.6724 | |
| 455 | D | A | -2.4422 | |
| 456 | S | A | -1.9381 | |
| 457 | K | A | -2.3011 | |
| 458 | M | A | -1.4669 | |
| 459 | V | A | 0.0000 | |
| 460 | T | A | -0.3792 | |
| 461 | L | A | 0.0000 | |
| 462 | M | A | -0.3780 | |
| 463 | P | A | -0.7676 | |
| 464 | V | A | 0.0000 | |
| 465 | Q | A | -1.9037 | |
| 466 | E | A | -2.3900 | |
| 467 | F | A | -1.3422 | |
| 468 | P | A | -1.5169 | |
| 469 | I | A | -1.7229 | |
| 470 | E | A | -3.0675 | |
| 471 | K | A | -3.6448 | |
| 472 | K | A | -3.8243 | |
| 473 | T | A | -3.3821 | |
| 474 | E | A | -4.1655 | |
| 475 | E | A | -4.3970 | |
| 476 | D | A | -4.1599 | |
| 477 | D | A | -3.5377 | |
| 478 | D | A | -2.0249 | |
| 479 | F | A | 0.7532 | |
| 480 | C | A | 1.2083 | |
| 481 | M | A | 0.7644 | |
| 482 | Q | A | -0.7220 | |
| 483 | P | A | -1.3533 | |
| 484 | D | A | -2.1004 | |
| 485 | T | A | -0.9042 | |
| 486 | S | A | -0.9232 | |
| 487 | L | A | 0.0084 | |
| 488 | Y | A | 0.0000 | |
| 489 | K | A | -3.0145 | |
| 490 | E | A | -3.2801 | |
| 491 | D | A | -3.0945 | |
| 492 | G | A | -1.9630 | |
| 493 | S | A | 0.0000 | |
| 494 | L | A | 0.0000 | |
| 495 | E | A | -1.2771 | |
| 496 | I | A | 0.0000 | |
| 497 | E | A | -1.8557 | |
| 498 | F | A | -0.8723 | |
| 499 | S | A | -0.6183 | |
| 500 | A | A | -0.4020 | |
| 501 | L | A | 0.0000 | |
| 502 | L | A | 0.0771 | |
| 503 | D | A | -1.2063 | |
| 504 | V | A | -0.1218 | |
| 505 | R | A | -0.2968 | |
| 506 | S | A | 0.0310 | |
| 507 | V | A | 0.0000 | |
| 508 | K | A | -1.6799 | |
| 509 | T | A | -1.1279 | |
| 510 | S | A | -1.1346 | |
| 511 | S | A | -1.1915 | |
| 512 | S | A | -1.5300 | |
| 513 | D | A | -2.2774 | |
| 514 | S | A | -1.4026 | |
| 515 | A | A | -1.0075 | |
| 516 | E | A | -1.3572 | |
| 517 | V | A | 0.4627 | |
| 518 | A | A | -0.4051 | |
| 519 | K | A | -1.5144 | |
| 520 | S | A | -0.4995 | |
| 521 | A | A | 0.3131 | |
| 522 | L | A | 0.9263 | |
| 523 | P | A | -0.3253 | |
| 524 | E | A | -2.0565 | |
| 525 | P | A | -2.1734 | |
| 526 | D | A | -2.9101 | |
| 527 | Q | A | -2.2250 | |
| 528 | S | A | -1.6599 | |
| 529 | A | A | -1.5532 | |
| 530 | K | A | -2.6616 | |
| 531 | K | A | -3.1074 | |
| 532 | P | A | -2.1145 | |
| 533 | K | A | -1.5001 | |
| 534 | L | A | 0.5936 | |
| 535 | S | A | -0.0167 | |
| 536 | A | A | -0.6703 | |
| 537 | N | A | -2.5206 | |
| 538 | K | A | -3.0960 | |
| 539 | E | A | -2.4250 | |
| 540 | L | A | -0.6187 | |
| 541 | Q | A | -1.0879 | |
| 542 | T | A | -0.6543 | |
| 543 | P | A | -0.8803 | |
| 544 | A | A | -1.4055 | |
| 545 | K | A | -2.9818 | |
| 546 | E | A | -3.4289 | |
| 547 | N | A | -2.9150 | |
| 548 | G | A | -1.8791 | |
| 549 | E | A | -1.5485 | |
| 550 | V | A | -0.2054 | |
| 551 | S | A | -0.3739 | |
| 552 | P | A | -0.4401 | |
| 553 | W | A | -0.0504 | |
| 554 | E | A | -1.9278 | |
| 555 | E | A | -2.1205 | |
| 556 | L | A | -0.4088 | |
| 557 | S | A | -1.3346 | |
| 558 | E | A | -2.6796 | |
| 559 | A | A | -1.4544 | |
| 560 | L | A | -1.0510 | |
| 561 | S | A | -1.4289 | |
| 562 | A | A | -1.2825 | |
| 563 | K | A | -2.1965 | |
| 564 | K | A | -2.1542 | |
| 565 | A | A | -1.1775 | |
| 566 | A | A | -0.8450 | |
| 567 | L | A | -0.3983 | |
| 568 | S | A | -1.3422 | |
| 569 | Q | A | -1.9432 | |
| 570 | A | A | -1.0980 | |
| 571 | N | A | -1.8161 | |
| 572 | N | A | -2.0810 | |
| 573 | G | A | -1.5750 | |
| 574 | W | A | -0.9686 | |
| 575 | N | A | -2.4232 | |
| 576 | K | A | -2.9788 | |
| 577 | K | A | -2.9156 | |
| 578 | G | A | -1.8907 | |
| 579 | S | A | -1.1940 | |
| 580 | S | A | -0.7002 | |
| 581 | S | A | -0.7353 | |
| 582 | G | A | -0.7827 | |
| 583 | G | A | -0.6002 | |
| 584 | S | A | 0.0840 | |
| 585 | W | A | 0.9068 | |
| 586 | S | A | 0.3848 | |
| 587 | Y | A | 0.4233 | |
| 588 | K | A | -1.5153 | |
| 589 | A | A | -0.8204 | |
| 590 | L | A | -0.6571 | |
| 591 | R | A | -2.2840 | |
| 592 | G | A | -1.5723 | |
| 593 | S | A | -0.8439 | |
| 594 | A | A | -0.0158 | |
| 595 | M | A | 0.4070 | |
| 596 | G | A | -0.3988 | |
| 597 | P | A | -0.1010 | |
| 598 | V | A | 0.9349 | |
| 599 | M | A | 0.0175 | |
| 600 | N | A | -1.3329 | |
| 601 | Y | A | -0.1043 | |
| 602 | L | A | -0.9591 | |
| 603 | R | A | -2.3989 | |
| 604 | S | A | -1.7542 | |
| 605 | Q | A | -2.4671 | |
| 606 | K | A | -2.9695 | |
| 607 | E | A | -2.1963 | |
| 608 | I | A | 0.0130 |
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 | -1.0673 | 5.4766 | View | CSV | PDB |
| 4.5 | -1.1941 | 5.2796 | View | CSV | PDB |
| 5.0 | -1.3575 | 4.9895 | View | CSV | PDB |
| 5.5 | -1.5201 | 4.6434 | View | CSV | PDB |
| 6.0 | -1.6409 | 4.3675 | View | CSV | PDB |
| 6.5 | -1.6918 | 4.4146 | View | CSV | PDB |
| 7.0 | -1.6705 | 4.4661 | View | CSV | PDB |
| 7.5 | -1.5989 | 4.5191 | View | CSV | PDB |
| 8.0 | -1.5016 | 4.5726 | View | CSV | PDB |
| 8.5 | -1.3909 | 4.6255 | View | CSV | PDB |
| 9.0 | -1.2705 | 4.6765 | 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