| Chain sequence(s) |
A: MSRLEEELRRRLTEGSMKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELVKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQTEEEERKREEEERKRWAWVVLLATMVTQGLTLGFPTCIGIFFTELQWEFQASNSETSWFPSILTAVLHMAGPLCSILVGRFGCRVTVMLGGVLASLGMVASSFSHNLSQLYFTAGFITGLGMCFSFQSSITVLGFYFVRRRVLANALASMGVSLGITLWPLLSRYLLENLGWRGTFLVFGGIFLHCCICGAIIRPVATSVAPETKECPPPPPETPALGCLAACGRTIQRHLAFDILRHNTGYCVYILGVMWSVLGFPLPQVFLVPYAMWHSVDEQQAALLISIIGFSNIFLRPLAGLMAGRPAFASHRKYLFSLALLLNGLTNLVCAASGDFWVLVGYCLAYSVSMSGIGALIFQVLMDIVPMDQFPRALGLFTVLDGLAFLISPPLAGLLLDATNNFSYVFYMSSFFLISAALFMGGSFYALQKKGSSGSGSSGSEVQLQESGGGLVQPGGSLRLSCTASGVTISALNAMAMGWYRQAPGERRVMVAAVSERGNAMYRESVQGRFTVTRDFTNKMVSLQMDNLKPEDTAVYYCHVLEDRVDSFHDYWGQGTQVTVSSDYKDDDDK
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 globular. Max score is recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:12:42)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/9af4bec3690b419/tmp/folded.pdb (00:12:42)
[INFO] Main: Simulation completed successfully. (00:17:56)
|
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 | 0.1235 | |
| 2 | S | A | -0.9847 | |
| 3 | R | A | -2.0115 | |
| 4 | L | A | 0.0000 | |
| 5 | E | A | 0.0000 | |
| 6 | E | A | -3.0294 | |
| 7 | E | A | 0.0000 | |
| 8 | L | A | 0.0000 | |
| 9 | R | A | -3.4071 | |
| 10 | R | A | -3.0740 | |
| 11 | R | A | -2.0684 | |
| 12 | L | A | 0.0000 | |
| 13 | T | A | -1.8461 | |
| 14 | E | A | -1.7668 | |
| 15 | G | A | -1.2956 | |
| 16 | S | A | -1.6228 | |
| 17 | M | A | -1.2833 | |
| 18 | K | A | -2.5168 | |
| 19 | I | A | 0.0000 | |
| 20 | E | A | -3.3599 | |
| 21 | E | A | -3.1973 | |
| 22 | G | A | -1.8762 | |
| 23 | K | A | -1.9754 | |
| 24 | L | A | 0.0000 | |
| 25 | V | A | -0.3225 | |
| 26 | I | A | 0.0000 | |
| 27 | W | A | 0.0000 | |
| 28 | I | A | 0.0000 | |
| 29 | N | A | -1.8514 | |
| 30 | G | A | -2.2116 | |
| 31 | D | A | -2.2866 | |
| 32 | K | A | -1.8468 | |
| 33 | G | A | 0.0000 | |
| 34 | Y | A | -1.2261 | |
| 35 | N | A | -1.7432 | |
| 36 | G | A | 0.0000 | |
| 37 | L | A | 0.0000 | |
| 38 | A | A | -1.5725 | |
| 39 | E | A | -2.8636 | |
| 40 | V | A | 0.0000 | |
| 41 | G | A | 0.0000 | |
| 42 | K | A | -3.7736 | |
| 43 | K | A | -3.1941 | |
| 44 | F | A | 0.0000 | |
| 45 | E | A | -3.6039 | |
| 46 | K | A | -3.8549 | |
| 47 | D | A | -3.4052 | |
| 48 | T | A | -2.1115 | |
| 49 | G | A | -2.1405 | |
| 50 | I | A | -1.7049 | |
| 51 | K | A | -1.6868 | |
| 52 | V | A | -1.1588 | |
| 53 | T | A | -0.6683 | |
| 54 | V | A | -0.2776 | |
| 55 | E | A | -0.8187 | |
| 56 | H | A | -1.8224 | |
| 57 | P | A | -1.9080 | |
| 58 | D | A | -3.1951 | |
| 59 | K | A | -3.3498 | |
| 60 | L | A | 0.0000 | |
| 61 | E | A | 0.0000 | |
| 62 | E | A | -2.8806 | |
| 63 | K | A | -2.4195 | |
| 64 | F | A | 0.0000 | |
| 65 | P | A | -1.3010 | |
| 66 | Q | A | -1.7229 | |
| 67 | V | A | -1.1043 | |
| 68 | A | A | 0.0000 | |
| 69 | A | A | -0.5691 | |
| 70 | T | A | -0.7014 | |
| 71 | G | A | -0.8711 | |
| 72 | D | A | -1.5832 | |
| 73 | G | A | 0.0000 | |
| 74 | P | A | 0.0000 | |
| 75 | D | A | 0.0000 | |
| 76 | I | A | 0.0000 | |
| 77 | I | A | 0.0000 | |
| 78 | F | A | 0.0000 | |
| 79 | W | A | -0.2067 | |
| 80 | A | A | -0.4315 | |
| 81 | H | A | 0.0000 | |
| 82 | D | A | -1.0444 | |
| 83 | R | A | -1.4732 | |
| 84 | F | A | 0.0000 | |
| 85 | G | A | 0.0000 | |
| 86 | G | A | -1.0185 | |
| 87 | Y | A | 0.0000 | |
| 88 | A | A | -1.3747 | |
| 89 | Q | A | -1.1681 | |
| 90 | S | A | -1.0980 | |
| 91 | G | A | -1.0155 | |
| 92 | L | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | A | A | -1.1867 | |
| 95 | E | A | -2.2498 | |
| 96 | I | A | 0.0000 | |
| 97 | T | A | -1.4363 | |
| 98 | P | A | 0.0000 | |
| 99 | D | A | -2.9027 | |
| 100 | K | A | -3.2312 | |
| 101 | A | A | -2.2070 | |
| 102 | F | A | 0.0000 | |
| 103 | Q | A | -2.4843 | |
| 104 | D | A | -3.1238 | |
| 105 | K | A | -2.3171 | |
| 106 | L | A | 0.0000 | |
| 107 | Y | A | -0.8059 | |
| 108 | P | A | -0.7275 | |
| 109 | F | A | -0.3143 | |
| 110 | T | A | 0.0000 | |
| 111 | W | A | 0.0000 | |
| 112 | D | A | -1.2232 | |
| 113 | A | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | R | A | -1.9820 | |
| 116 | Y | A | -2.0536 | |
| 117 | N | A | -2.6148 | |
| 118 | G | A | -2.4481 | |
| 119 | K | A | -2.6606 | |
| 120 | L | A | -1.6695 | |
| 121 | I | A | 0.0000 | |
| 122 | A | A | 0.0000 | |
| 123 | Y | A | 0.0000 | |
| 124 | P | A | 0.0000 | |
| 125 | I | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | V | A | 0.0000 | |
| 128 | E | A | -0.5725 | |
| 129 | A | A | 0.0000 | |
| 130 | L | A | 0.0000 | |
| 131 | S | A | 0.0000 | |
| 132 | L | A | 0.0000 | |
| 133 | I | A | 0.0000 | |
| 134 | Y | A | -0.5480 | |
| 135 | N | A | 0.0000 | |
| 136 | K | A | -2.1343 | |
| 137 | D | A | -2.3777 | |
| 138 | L | A | -1.4617 | |
| 139 | L | A | 0.0000 | |
| 140 | P | A | -1.5689 | |
| 141 | N | A | -1.9168 | |
| 142 | P | A | -1.2148 | |
| 143 | P | A | 0.0000 | |
| 144 | K | A | -2.1832 | |
| 145 | T | A | -1.9008 | |
| 146 | W | A | 0.0000 | |
| 147 | E | A | -1.8447 | |
| 148 | E | A | -1.6530 | |
| 149 | I | A | 0.0000 | |
| 150 | P | A | -1.5990 | |
| 151 | A | A | -1.2959 | |
| 152 | L | A | -1.5562 | |
| 153 | D | A | 0.0000 | |
| 154 | K | A | -3.5715 | |
| 155 | E | A | -3.5565 | |
| 156 | L | A | 0.0000 | |
| 157 | K | A | -3.7473 | |
| 158 | A | A | -2.8146 | |
| 159 | K | A | -3.1873 | |
| 160 | G | A | -2.8555 | |
| 161 | K | A | -2.8825 | |
| 162 | S | A | -1.9996 | |
| 163 | A | A | 0.0000 | |
| 164 | L | A | 0.0000 | |
| 165 | M | A | -0.1220 | |
| 166 | F | A | 0.0000 | |
| 167 | N | A | 0.0000 | |
| 168 | L | A | 0.0000 | |
| 169 | Q | A | -1.3296 | |
| 170 | E | A | -0.9445 | |
| 171 | P | A | 0.0000 | |
| 172 | Y | A | -0.2086 | |
| 173 | F | A | 0.0000 | |
| 174 | T | A | 0.0000 | |
| 175 | W | A | 0.0000 | |
| 176 | P | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | I | A | 0.0000 | |
| 179 | A | A | 0.0000 | |
| 180 | A | A | 0.0000 | |
| 181 | D | A | -1.7213 | |
| 182 | G | A | -0.9184 | |
| 183 | G | A | 0.0000 | |
| 184 | Y | A | -0.2087 | |
| 185 | A | A | 0.0000 | |
| 186 | F | A | 0.0000 | |
| 187 | K | A | -1.8641 | |
| 188 | Y | A | -1.8113 | |
| 189 | E | A | -3.1563 | |
| 190 | N | A | -2.9447 | |
| 191 | G | A | -2.9396 | |
| 192 | K | A | -3.3494 | |
| 193 | Y | A | -2.2743 | |
| 194 | D | A | -2.7403 | |
| 195 | I | A | -1.5754 | |
| 196 | K | A | -2.7481 | |
| 197 | D | A | -2.1460 | |
| 198 | V | A | 0.0000 | |
| 199 | G | A | 0.0000 | |
| 200 | V | A | 0.0000 | |
| 201 | D | A | -1.7847 | |
| 202 | N | A | -1.0993 | |
| 203 | A | A | -0.7015 | |
| 204 | G | A | 0.0000 | |
| 205 | A | A | 0.0000 | |
| 206 | K | A | -1.1548 | |
| 207 | A | A | -0.7298 | |
| 208 | G | A | 0.0000 | |
| 209 | L | A | 0.0000 | |
| 210 | T | A | -0.4002 | |
| 211 | F | A | -0.3684 | |
| 212 | L | A | 0.0000 | |
| 213 | V | A | -1.1269 | |
| 214 | D | A | -1.9621 | |
| 215 | L | A | 0.0000 | |
| 216 | I | A | -2.5167 | |
| 217 | K | A | -3.3181 | |
| 218 | N | A | -3.2554 | |
| 219 | K | A | -3.4349 | |
| 220 | H | A | -2.4007 | |
| 221 | M | A | 0.0000 | |
| 222 | N | A | -2.5945 | |
| 223 | A | A | -1.9756 | |
| 224 | D | A | -2.1623 | |
| 225 | T | A | 0.0000 | |
| 226 | D | A | -0.7805 | |
| 227 | Y | A | 0.2617 | |
| 228 | S | A | 0.4041 | |
| 229 | I | A | 0.9468 | |
| 230 | A | A | 0.0000 | |
| 231 | E | A | -0.3523 | |
| 232 | A | A | -0.5728 | |
| 233 | A | A | -1.0701 | |
| 234 | F | A | 0.0000 | |
| 235 | N | A | -2.1073 | |
| 236 | K | A | -2.5933 | |
| 237 | G | A | -2.2871 | |
| 238 | E | A | -2.5875 | |
| 239 | T | A | 0.0000 | |
| 240 | A | A | 0.0000 | |
| 241 | M | A | 0.0000 | |
| 242 | T | A | 0.0000 | |
| 243 | I | A | 0.0000 | |
| 244 | N | A | 0.0000 | |
| 245 | G | A | 0.0000 | |
| 246 | P | A | -0.0463 | |
| 247 | W | A | -0.0399 | |
| 248 | A | A | 0.0000 | |
| 249 | W | A | 0.0000 | |
| 250 | S | A | -1.1430 | |
| 251 | N | A | -1.8526 | |
| 252 | I | A | 0.0000 | |
| 253 | D | A | -2.3835 | |
| 254 | T | A | -1.6756 | |
| 255 | S | A | -2.0621 | |
| 256 | K | A | -2.6694 | |
| 257 | V | A | -2.2004 | |
| 258 | N | A | -2.0962 | |
| 259 | Y | A | -1.3010 | |
| 260 | G | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | T | A | -0.3036 | |
| 263 | V | A | -0.2980 | |
| 264 | L | A | 0.0000 | |
| 265 | P | A | 0.0000 | |
| 266 | T | A | -1.4765 | |
| 267 | F | A | 0.0000 | |
| 268 | K | A | -2.4773 | |
| 269 | G | A | -2.0405 | |
| 270 | Q | A | -1.8743 | |
| 271 | P | A | -1.3258 | |
| 272 | S | A | 0.0000 | |
| 273 | K | A | -0.9465 | |
| 274 | P | A | 0.0000 | |
| 275 | F | A | 0.0000 | |
| 276 | V | A | 0.0000 | |
| 277 | G | A | -0.3398 | |
| 278 | V | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | S | A | 0.0000 | |
| 281 | A | A | 0.0000 | |
| 282 | G | A | 0.0000 | |
| 283 | I | A | 0.0000 | |
| 284 | N | A | 0.0000 | |
| 285 | A | A | -0.5593 | |
| 286 | A | A | -0.3266 | |
| 287 | S | A | 0.0000 | |
| 288 | P | A | -1.4821 | |
| 289 | N | A | 0.0000 | |
| 290 | K | A | -1.8635 | |
| 291 | E | A | -2.4535 | |
| 292 | L | A | -1.6411 | |
| 293 | A | A | 0.0000 | |
| 294 | K | A | -2.1087 | |
| 295 | E | A | -2.1040 | |
| 296 | F | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | E | A | -1.2948 | |
| 299 | N | A | -1.6984 | |
| 300 | Y | A | -1.3251 | |
| 301 | L | A | 0.0000 | |
| 302 | L | A | 0.0000 | |
| 303 | T | A | -1.8190 | |
| 304 | D | A | -2.6572 | |
| 305 | E | A | -2.7417 | |
| 306 | G | A | 0.0000 | |
| 307 | L | A | 0.0000 | |
| 308 | E | A | -2.8323 | |
| 309 | A | A | -2.4531 | |
| 310 | V | A | 0.0000 | |
| 311 | N | A | -2.0446 | |
| 312 | K | A | -2.7065 | |
| 313 | D | A | -2.3975 | |
| 314 | K | A | -2.1741 | |
| 315 | P | A | -1.2626 | |
| 316 | L | A | -0.7247 | |
| 317 | G | A | 0.0000 | |
| 318 | A | A | 0.0000 | |
| 319 | V | A | 0.0000 | |
| 320 | A | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | K | A | -1.8528 | |
| 323 | S | A | -1.7998 | |
| 324 | Y | A | 0.0000 | |
| 325 | E | A | 0.0000 | |
| 326 | E | A | -2.9255 | |
| 327 | E | A | -3.2841 | |
| 328 | L | A | -1.8939 | |
| 329 | V | A | -1.4498 | |
| 330 | K | A | -2.4833 | |
| 331 | D | A | -1.4508 | |
| 332 | P | A | -0.9184 | |
| 333 | R | A | -0.8696 | |
| 334 | I | A | 0.0000 | |
| 335 | A | A | -0.8624 | |
| 336 | A | A | 0.0000 | |
| 337 | T | A | 0.0000 | |
| 338 | M | A | 0.0000 | |
| 339 | E | A | -1.8206 | |
| 340 | N | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | Q | A | -1.9459 | |
| 343 | K | A | -1.7874 | |
| 344 | G | A | -1.2091 | |
| 345 | E | A | -0.5707 | |
| 346 | I | A | -0.2325 | |
| 347 | M | A | 0.0341 | |
| 348 | P | A | 0.0000 | |
| 349 | N | A | 0.0000 | |
| 350 | I | A | -0.5278 | |
| 351 | P | A | -0.6187 | |
| 352 | Q | A | -0.4720 | |
| 353 | M | A | 0.0000 | |
| 354 | S | A | 0.0690 | |
| 355 | A | A | -0.4459 | |
| 356 | F | A | 0.0000 | |
| 357 | W | A | 0.3034 | |
| 358 | Y | A | 0.7186 | |
| 359 | A | A | 0.0000 | |
| 360 | V | A | 0.0000 | |
| 361 | R | A | -0.7983 | |
| 362 | T | A | -0.4507 | |
| 363 | A | A | 0.0000 | |
| 364 | V | A | 0.0000 | |
| 365 | I | A | -0.7983 | |
| 366 | N | A | -1.2729 | |
| 367 | A | A | 0.0000 | |
| 368 | A | A | -1.2276 | |
| 369 | S | A | -1.5084 | |
| 370 | G | A | -1.6820 | |
| 371 | R | A | -2.4313 | |
| 372 | Q | A | -2.2709 | |
| 373 | T | A | -1.9532 | |
| 374 | V | A | -2.0655 | |
| 375 | D | A | -3.4020 | |
| 376 | E | A | -3.7761 | |
| 377 | A | A | 0.0000 | |
| 378 | L | A | 0.0000 | |
| 379 | K | A | -3.8454 | |
| 380 | D | A | -3.6927 | |
| 381 | A | A | 0.0000 | |
| 382 | Q | A | -2.4258 | |
| 383 | T | A | -2.9308 | |
| 384 | E | A | -3.6406 | |
| 385 | E | A | 0.0000 | |
| 386 | E | A | -4.2756 | |
| 387 | E | A | -4.9066 | |
| 388 | R | A | -5.1864 | |
| 389 | K | A | -4.7733 | |
| 390 | R | A | -5.8850 | |
| 391 | E | A | -5.9574 | |
| 392 | E | A | -5.4282 | |
| 393 | E | A | -5.0136 | |
| 394 | E | A | -4.9780 | |
| 395 | R | A | -4.4127 | |
| 396 | K | A | -4.2108 | |
| 397 | R | A | -3.4892 | |
| 398 | W | A | -1.8607 | |
| 399 | A | A | 0.0000 | |
| 400 | W | A | 0.5016 | |
| 401 | V | A | 0.7631 | |
| 402 | V | A | 0.0000 | |
| 403 | L | A | 0.0000 | |
| 404 | L | A | 1.7036 | |
| 405 | A | A | 0.0000 | |
| 406 | T | A | 0.0000 | |
| 407 | M | A | 1.3590 | |
| 408 | V | A | 1.5688 | |
| 409 | T | A | 0.0000 | |
| 410 | Q | A | 0.0000 | |
| 411 | G | A | 1.0774 | |
| 412 | L | A | 0.8841 | |
| 413 | T | A | 0.0000 | |
| 414 | L | A | 0.4483 | |
| 415 | G | A | 0.0000 | |
| 416 | F | A | 0.0000 | |
| 417 | P | A | 0.0404 | |
| 418 | T | A | 0.0000 | |
| 419 | C | A | 0.0000 | |
| 420 | I | A | 0.0000 | |
| 421 | G | A | 0.0000 | |
| 422 | I | A | 0.0000 | |
| 423 | F | A | 0.0000 | |
| 424 | F | A | 0.0000 | |
| 425 | T | A | -0.0758 | |
| 426 | E | A | -0.3557 | |
| 427 | L | A | 0.0000 | |
| 428 | Q | A | -0.4729 | |
| 429 | W | A | 0.2685 | |
| 430 | E | A | -0.7552 | |
| 431 | F | A | -0.8812 | |
| 432 | Q | A | -1.2112 | |
| 433 | A | A | -0.9397 | |
| 434 | S | A | -0.6531 | |
| 435 | N | A | -0.5746 | |
| 436 | S | A | -0.0659 | |
| 437 | E | A | -1.1637 | |
| 438 | T | A | 0.0000 | |
| 439 | S | A | 0.0000 | |
| 440 | W | A | 0.6024 | |
| 441 | F | A | 0.0000 | |
| 442 | P | A | 0.0000 | |
| 443 | S | A | 0.0000 | |
| 444 | I | A | 1.5732 | |
| 445 | L | A | 0.0000 | |
| 446 | T | A | 0.5662 | |
| 447 | A | A | 0.0000 | |
| 448 | V | A | 0.8633 | |
| 449 | L | A | 0.0000 | |
| 450 | H | A | 0.2008 | |
| 451 | M | A | 0.5912 | |
| 452 | A | A | 0.3363 | |
| 453 | G | A | 0.2756 | |
| 454 | P | A | 0.1557 | |
| 455 | L | A | 1.0912 | |
| 456 | C | A | 0.0000 | |
| 457 | S | A | 0.1202 | |
| 458 | I | A | 0.5426 | |
| 459 | L | A | 0.5531 | |
| 460 | V | A | 0.2478 | |
| 461 | G | A | -0.6214 | |
| 462 | R | A | -0.9401 | |
| 463 | F | A | 0.9392 | |
| 464 | G | A | 0.1520 | |
| 465 | C | A | 0.0000 | |
| 466 | R | A | 0.2821 | |
| 467 | V | A | 1.1574 | |
| 468 | T | A | 0.0000 | |
| 469 | V | A | 0.0000 | |
| 470 | M | A | 1.3628 | |
| 471 | L | A | 1.2936 | |
| 472 | G | A | 0.0000 | |
| 473 | G | A | 0.0000 | |
| 474 | V | A | 1.7565 | |
| 475 | L | A | 1.7785 | |
| 476 | A | A | 0.0000 | |
| 477 | S | A | 0.0000 | |
| 478 | L | A | 2.2793 | |
| 479 | G | A | 0.0000 | |
| 480 | M | A | 0.0000 | |
| 481 | V | A | 1.7468 | |
| 482 | A | A | 1.5401 | |
| 483 | S | A | 0.0000 | |
| 484 | S | A | 0.0000 | |
| 485 | F | A | 1.5992 | |
| 486 | S | A | 0.0000 | |
| 487 | H | A | -1.0603 | |
| 488 | N | A | -1.3073 | |
| 489 | L | A | -0.7235 | |
| 490 | S | A | -0.3555 | |
| 491 | Q | A | -0.0648 | |
| 492 | L | A | 0.0000 | |
| 493 | Y | A | 1.1617 | |
| 494 | F | A | 2.2903 | |
| 495 | T | A | 0.0000 | |
| 496 | A | A | 0.0000 | |
| 497 | G | A | 0.0000 | |
| 498 | F | A | 2.0894 | |
| 499 | I | A | 1.8885 | |
| 500 | T | A | 0.0000 | |
| 501 | G | A | 0.0000 | |
| 502 | L | A | 0.8677 | |
| 503 | G | A | 0.0000 | |
| 504 | M | A | 0.0000 | |
| 505 | C | A | 0.0000 | |
| 506 | F | A | 0.0000 | |
| 507 | S | A | 0.0000 | |
| 508 | F | A | 0.4235 | |
| 509 | Q | A | -0.0880 | |
| 510 | S | A | 0.0000 | |
| 511 | S | A | 0.0000 | |
| 512 | I | A | 0.5928 | |
| 513 | T | A | 0.5336 | |
| 514 | V | A | 0.0000 | |
| 515 | L | A | 0.0000 | |
| 516 | G | A | 0.6452 | |
| 517 | F | A | 2.0421 | |
| 518 | Y | A | 0.3577 | |
| 519 | F | A | 0.0000 | |
| 520 | V | A | 0.5526 | |
| 521 | R | A | -1.9602 | |
| 522 | R | A | -2.2217 | |
| 523 | R | A | -1.1319 | |
| 524 | V | A | 0.6449 | |
| 525 | L | A | 0.3923 | |
| 526 | A | A | 0.0000 | |
| 527 | N | A | -0.1110 | |
| 528 | A | A | 0.4631 | |
| 529 | L | A | 0.9294 | |
| 530 | A | A | 0.0000 | |
| 531 | S | A | 0.5217 | |
| 532 | M | A | 1.1642 | |
| 533 | G | A | 0.0000 | |
| 534 | V | A | 0.9916 | |
| 535 | S | A | 0.0000 | |
| 536 | L | A | 1.7877 | |
| 537 | G | A | 0.0000 | |
| 538 | I | A | 0.0000 | |
| 539 | T | A | 0.0000 | |
| 540 | L | A | 1.9729 | |
| 541 | W | A | 0.0000 | |
| 542 | P | A | 0.0000 | |
| 543 | L | A | 1.3797 | |
| 544 | L | A | 1.4491 | |
| 545 | S | A | 0.0000 | |
| 546 | R | A | 0.0000 | |
| 547 | Y | A | 0.7409 | |
| 548 | L | A | 0.0000 | |
| 549 | L | A | -0.5164 | |
| 550 | E | A | -1.7258 | |
| 551 | N | A | -1.3862 | |
| 552 | L | A | -0.0092 | |
| 553 | G | A | -0.6100 | |
| 554 | W | A | 0.0000 | |
| 555 | R | A | 0.2472 | |
| 556 | G | A | 0.4676 | |
| 557 | T | A | 0.0000 | |
| 558 | F | A | 0.0000 | |
| 559 | L | A | 1.6144 | |
| 560 | V | A | 1.0895 | |
| 561 | F | A | 0.0000 | |
| 562 | G | A | 0.0000 | |
| 563 | G | A | 0.7437 | |
| 564 | I | A | 0.5021 | |
| 565 | F | A | 0.0000 | |
| 566 | L | A | 1.5185 | |
| 567 | H | A | 0.7330 | |
| 568 | C | A | 0.0000 | |
| 569 | C | A | 1.5902 | |
| 570 | I | A | 2.0578 | |
| 571 | C | A | 0.0000 | |
| 572 | G | A | 0.0000 | |
| 573 | A | A | 0.7503 | |
| 574 | I | A | 0.7560 | |
| 575 | I | A | 0.0000 | |
| 576 | R | A | -1.2143 | |
| 577 | P | A | -0.5040 | |
| 578 | V | A | 0.1630 | |
| 579 | A | A | 0.4283 | |
| 580 | T | A | 0.7610 | |
| 581 | S | A | 0.6629 | |
| 582 | V | A | 1.2868 | |
| 583 | A | A | 0.2190 | |
| 584 | P | A | -0.9365 | |
| 585 | E | A | -2.4388 | |
| 586 | T | A | -2.2602 | |
| 587 | K | A | -3.0642 | |
| 588 | E | A | -2.6700 | |
| 589 | C | A | -0.9435 | |
| 590 | P | A | -0.8692 | |
| 591 | P | A | -0.6337 | |
| 592 | P | A | -0.7977 | |
| 593 | P | A | -1.0655 | |
| 594 | P | A | -1.4037 | |
| 595 | E | A | -2.1404 | |
| 596 | T | A | -0.9396 | |
| 597 | P | A | -0.3994 | |
| 598 | A | A | 0.4089 | |
| 599 | L | A | 1.8497 | |
| 600 | G | A | 1.3446 | |
| 601 | C | A | 1.8133 | |
| 602 | L | A | 1.9789 | |
| 603 | A | A | 1.0527 | |
| 604 | A | A | 0.6778 | |
| 605 | C | A | 0.8758 | |
| 606 | G | A | -0.6735 | |
| 607 | R | A | -2.1566 | |
| 608 | T | A | -1.4625 | |
| 609 | I | A | -1.3751 | |
| 610 | Q | A | -2.5708 | |
| 611 | R | A | -3.2011 | |
| 612 | H | A | -2.5957 | |
| 613 | L | A | -1.6317 | |
| 614 | A | A | 0.0000 | |
| 615 | F | A | -1.3932 | |
| 616 | D | A | -2.3088 | |
| 617 | I | A | 0.0000 | |
| 618 | L | A | -1.1566 | |
| 619 | R | A | -2.6751 | |
| 620 | H | A | -2.1702 | |
| 621 | N | A | -1.4033 | |
| 622 | T | A | -0.5426 | |
| 623 | G | A | 0.0000 | |
| 624 | Y | A | 0.0000 | |
| 625 | C | A | 0.1292 | |
| 626 | V | A | 0.7714 | |
| 627 | Y | A | 0.0000 | |
| 628 | I | A | 0.0000 | |
| 629 | L | A | 1.4621 | |
| 630 | G | A | 0.0000 | |
| 631 | V | A | 0.0000 | |
| 632 | M | A | 1.0599 | |
| 633 | W | A | 1.3253 | |
| 634 | S | A | 0.0000 | |
| 635 | V | A | 0.0000 | |
| 636 | L | A | 1.2935 | |
| 637 | G | A | 0.0000 | |
| 638 | F | A | 0.3992 | |
| 639 | P | A | 0.0000 | |
| 640 | L | A | 0.0000 | |
| 641 | P | A | 0.0000 | |
| 642 | Q | A | -0.1378 | |
| 643 | V | A | 0.0000 | |
| 644 | F | A | 0.0000 | |
| 645 | L | A | 0.0000 | |
| 646 | V | A | 0.0000 | |
| 647 | P | A | 0.0000 | |
| 648 | Y | A | 0.0000 | |
| 649 | A | A | 0.0000 | |
| 650 | M | A | -0.4087 | |
| 651 | W | A | 0.5225 | |
| 652 | H | A | -0.7267 | |
| 653 | S | A | -0.8842 | |
| 654 | V | A | -1.5243 | |
| 655 | D | A | -2.5532 | |
| 656 | E | A | -2.4759 | |
| 657 | Q | A | -1.7895 | |
| 658 | Q | A | -1.5977 | |
| 659 | A | A | 0.0000 | |
| 660 | A | A | 0.0000 | |
| 661 | L | A | 0.0921 | |
| 662 | L | A | 0.0000 | |
| 663 | I | A | 0.0000 | |
| 664 | S | A | 0.0000 | |
| 665 | I | A | 1.3511 | |
| 666 | I | A | 0.0000 | |
| 667 | G | A | 0.0000 | |
| 668 | F | A | 2.9899 | |
| 669 | S | A | 2.2876 | |
| 670 | N | A | 0.0000 | |
| 671 | I | A | 2.3334 | |
| 672 | F | A | 2.9476 | |
| 673 | L | A | 2.2774 | |
| 674 | R | A | 1.2560 | |
| 675 | P | A | 1.5823 | |
| 676 | L | A | 2.0352 | |
| 677 | A | A | 1.3943 | |
| 678 | G | A | 0.7775 | |
| 679 | L | A | 1.5189 | |
| 680 | M | A | 0.8416 | |
| 681 | A | A | 0.0000 | |
| 682 | G | A | -0.5745 | |
| 683 | R | A | -1.4911 | |
| 684 | P | A | -1.0252 | |
| 685 | A | A | -0.4683 | |
| 686 | F | A | -0.2332 | |
| 687 | A | A | -0.8459 | |
| 688 | S | A | -0.5504 | |
| 689 | H | A | -0.5066 | |
| 690 | R | A | -0.5778 | |
| 691 | K | A | -0.4484 | |
| 692 | Y | A | 0.0000 | |
| 693 | L | A | 0.3064 | |
| 694 | F | A | 0.0000 | |
| 695 | S | A | 0.0000 | |
| 696 | L | A | 1.5081 | |
| 697 | A | A | 0.0000 | |
| 698 | L | A | 0.0000 | |
| 699 | L | A | 1.9256 | |
| 700 | L | A | 1.8737 | |
| 701 | N | A | 0.0000 | |
| 702 | G | A | 0.0000 | |
| 703 | L | A | 1.9515 | |
| 704 | T | A | 1.1754 | |
| 705 | N | A | 0.0000 | |
| 706 | L | A | 1.7812 | |
| 707 | V | A | 1.3519 | |
| 708 | C | A | 0.0000 | |
| 709 | A | A | 0.7447 | |
| 710 | A | A | 0.2998 | |
| 711 | S | A | -0.0884 | |
| 712 | G | A | 0.0000 | |
| 713 | D | A | -1.1383 | |
| 714 | F | A | -0.1586 | |
| 715 | W | A | 1.1568 | |
| 716 | V | A | 0.9247 | |
| 717 | L | A | 0.0000 | |
| 718 | V | A | 0.8966 | |
| 719 | G | A | 0.8931 | |
| 720 | Y | A | 0.0000 | |
| 721 | C | A | 0.0000 | |
| 722 | L | A | 1.6614 | |
| 723 | A | A | 1.2248 | |
| 724 | Y | A | 0.0000 | |
| 725 | S | A | 0.0000 | |
| 726 | V | A | 2.3286 | |
| 727 | S | A | 0.0000 | |
| 728 | M | A | 0.0000 | |
| 729 | S | A | 0.0000 | |
| 730 | G | A | 0.7095 | |
| 731 | I | A | 0.0000 | |
| 732 | G | A | -0.1428 | |
| 733 | A | A | 0.2881 | |
| 734 | L | A | 0.0000 | |
| 735 | I | A | 0.6304 | |
| 736 | F | A | 1.0009 | |
| 737 | Q | A | -0.0975 | |
| 738 | V | A | 0.0000 | |
| 739 | L | A | 0.0000 | |
| 740 | M | A | 0.2251 | |
| 741 | D | A | -1.2089 | |
| 742 | I | A | -0.4290 | |
| 743 | V | A | 0.0000 | |
| 744 | P | A | -0.6099 | |
| 745 | M | A | -0.1658 | |
| 746 | D | A | -1.6912 | |
| 747 | Q | A | -1.3416 | |
| 748 | F | A | -0.4639 | |
| 749 | P | A | -0.9435 | |
| 750 | R | A | -1.6867 | |
| 751 | A | A | 0.0000 | |
| 752 | L | A | 0.1171 | |
| 753 | G | A | -0.3876 | |
| 754 | L | A | 0.0000 | |
| 755 | F | A | 0.0000 | |
| 756 | T | A | 0.3191 | |
| 757 | V | A | 0.6231 | |
| 758 | L | A | 0.7920 | |
| 759 | D | A | 0.0000 | |
| 760 | G | A | 0.0000 | |
| 761 | L | A | 1.4639 | |
| 762 | A | A | 0.0000 | |
| 763 | F | A | 1.3387 | |
| 764 | L | A | 1.8189 | |
| 765 | I | A | 2.4056 | |
| 766 | S | A | 0.0000 | |
| 767 | P | A | 0.0000 | |
| 768 | P | A | 0.0000 | |
| 769 | L | A | 1.5523 | |
| 770 | A | A | 0.0000 | |
| 771 | G | A | 0.0000 | |
| 772 | L | A | 1.2493 | |
| 773 | L | A | 0.7468 | |
| 774 | L | A | 0.0000 | |
| 775 | D | A | -0.7379 | |
| 776 | A | A | -0.3227 | |
| 777 | T | A | -0.7452 | |
| 778 | N | A | -1.7577 | |
| 779 | N | A | -1.5300 | |
| 780 | F | A | 0.0000 | |
| 781 | S | A | 0.3824 | |
| 782 | Y | A | 1.0684 | |
| 783 | V | A | 0.0000 | |
| 784 | F | A | 0.0000 | |
| 785 | Y | A | 2.2225 | |
| 786 | M | A | 0.0000 | |
| 787 | S | A | 0.0000 | |
| 788 | S | A | 0.0000 | |
| 789 | F | A | 2.4065 | |
| 790 | F | A | 0.0000 | |
| 791 | L | A | 0.0000 | |
| 792 | I | A | 2.0077 | |
| 793 | S | A | 1.5703 | |
| 794 | A | A | 0.0000 | |
| 795 | A | A | 0.0000 | |
| 796 | L | A | 2.1696 | |
| 797 | F | A | 1.9612 | |
| 798 | M | A | 0.0000 | |
| 799 | G | A | 1.0364 | |
| 800 | G | A | 0.6199 | |
| 801 | S | A | 0.3623 | |
| 802 | F | A | 0.0000 | |
| 803 | Y | A | -0.2301 | |
| 804 | A | A | -1.0368 | |
| 805 | L | A | -1.3723 | |
| 806 | Q | A | -2.4248 | |
| 807 | K | A | -3.0259 | |
| 808 | K | A | -3.0350 | |
| 809 | G | A | -2.4478 | |
| 810 | S | A | -2.1399 | |
| 811 | S | A | -2.0955 | |
| 812 | G | A | -1.9630 | |
| 813 | S | A | -1.3724 | |
| 814 | G | A | -1.0130 | |
| 815 | S | A | -0.8775 | |
| 816 | S | A | -1.0470 | |
| 817 | G | A | -1.2955 | |
| 818 | S | A | -1.5929 | |
| 819 | E | A | -2.3124 | |
| 820 | V | A | -1.2214 | |
| 821 | Q | A | -1.6948 | |
| 822 | L | A | 0.0000 | |
| 823 | Q | A | -1.7907 | |
| 824 | E | A | -1.4155 | |
| 825 | S | A | -1.2738 | |
| 826 | G | A | -1.2763 | |
| 827 | G | A | -1.0010 | |
| 828 | G | A | -0.3480 | |
| 829 | L | A | 0.6903 | |
| 830 | V | A | 0.0000 | |
| 831 | Q | A | -1.6277 | |
| 832 | P | A | -1.8661 | |
| 833 | G | A | -1.9079 | |
| 834 | G | A | -1.4134 | |
| 835 | S | A | -1.6859 | |
| 836 | L | A | -1.1766 | |
| 837 | R | A | -2.1797 | |
| 838 | L | A | 0.0000 | |
| 839 | S | A | -0.9356 | |
| 840 | C | A | 0.0000 | |
| 841 | T | A | -1.0107 | |
| 842 | A | A | 0.0000 | |
| 843 | S | A | -0.9141 | |
| 844 | G | A | -0.9498 | |
| 845 | V | A | -0.2894 | |
| 846 | T | A | 0.5449 | |
| 847 | I | A | 1.1979 | |
| 848 | S | A | 0.5134 | |
| 849 | A | A | 0.2823 | |
| 850 | L | A | 0.0000 | |
| 851 | N | A | -0.3452 | |
| 852 | A | A | -0.5025 | |
| 853 | M | A | 0.0000 | |
| 854 | A | A | 0.0000 | |
| 855 | M | A | 0.0000 | |
| 856 | G | A | 0.0000 | |
| 857 | W | A | 0.0000 | |
| 858 | Y | A | 0.0000 | |
| 859 | R | A | -0.8274 | |
| 860 | Q | A | -1.3807 | |
| 861 | A | A | -1.4195 | |
| 862 | P | A | -0.9322 | |
| 863 | G | A | -1.6495 | |
| 864 | E | A | -2.0666 | |
| 865 | R | A | -1.7932 | |
| 866 | R | A | -1.6035 | |
| 867 | V | A | -0.9747 | |
| 868 | M | A | 0.0000 | |
| 869 | V | A | 0.0000 | |
| 870 | A | A | 0.0000 | |
| 871 | A | A | 0.0000 | |
| 872 | V | A | 0.0000 | |
| 873 | S | A | 0.0000 | |
| 874 | E | A | -1.4682 | |
| 875 | R | A | -2.3908 | |
| 876 | G | A | -1.9039 | |
| 877 | N | A | -1.9708 | |
| 878 | A | A | -0.8384 | |
| 879 | M | A | -0.8608 | |
| 880 | Y | A | -1.0360 | |
| 881 | R | A | -1.7531 | |
| 882 | E | A | -2.4628 | |
| 883 | S | A | -1.5092 | |
| 884 | V | A | 0.0000 | |
| 885 | Q | A | -2.1991 | |
| 886 | G | A | -1.7327 | |
| 887 | R | A | -1.7982 | |
| 888 | F | A | 0.0000 | |
| 889 | T | A | -0.7788 | |
| 890 | V | A | 0.0000 | |
| 891 | T | A | -0.4705 | |
| 892 | R | A | -0.8198 | |
| 893 | D | A | -1.0299 | |
| 894 | F | A | -0.1434 | |
| 895 | T | A | -0.4509 | |
| 896 | N | A | -1.2660 | |
| 897 | K | A | -0.6532 | |
| 898 | M | A | -0.7149 | |
| 899 | V | A | 0.0000 | |
| 900 | S | A | -0.7240 | |
| 901 | L | A | 0.0000 | |
| 902 | Q | A | -1.2375 | |
| 903 | M | A | 0.0000 | |
| 904 | D | A | -2.1861 | |
| 905 | N | A | -2.4444 | |
| 906 | L | A | 0.0000 | |
| 907 | K | A | -2.4696 | |
| 908 | P | A | -1.8914 | |
| 909 | E | A | -2.2796 | |
| 910 | D | A | 0.0000 | |
| 911 | T | A | -0.9362 | |
| 912 | A | A | 0.0000 | |
| 913 | V | A | -0.4574 | |
| 914 | Y | A | 0.0000 | |
| 915 | Y | A | -0.5549 | |
| 916 | C | A | 0.0000 | |
| 917 | H | A | 0.0000 | |
| 918 | V | A | 0.0000 | |
| 919 | L | A | 0.0000 | |
| 920 | E | A | -1.0166 | |
| 921 | D | A | -1.7336 | |
| 922 | R | A | -1.4278 | |
| 923 | V | A | -0.9471 | |
| 924 | D | A | -2.1521 | |
| 925 | S | A | -1.3555 | |
| 926 | F | A | -1.0798 | |
| 927 | H | A | -1.2560 | |
| 928 | D | A | -0.7218 | |
| 929 | Y | A | -0.3825 | |
| 930 | W | A | -0.2078 | |
| 931 | G | A | -0.9533 | |
| 932 | Q | A | -1.4841 | |
| 933 | G | A | -1.0529 | |
| 934 | T | A | -1.1190 | |
| 935 | Q | A | -1.0798 | |
| 936 | V | A | 0.0000 | |
| 937 | T | A | -0.4605 | |
| 938 | V | A | 0.0000 | |
| 939 | S | A | -1.0044 | |
| 940 | S | A | -1.2474 | |
| 941 | D | A | -2.0936 | |
| 942 | Y | A | -1.2545 | |
| 943 | K | A | -3.1581 | |
| 944 | D | A | -4.2432 | |
| 945 | D | A | -4.6505 | |
| 946 | D | A | -4.8056 | |
| 947 | D | A | -4.3350 | |
| 948 | K | A | -3.3563 |
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 | -0.369 | 5.7882 | View | CSV | PDB |
| 4.5 | -0.4299 | 5.7882 | View | CSV | PDB |
| 5.0 | -0.5045 | 5.7882 | View | CSV | PDB |
| 5.5 | -0.58 | 5.7882 | View | CSV | PDB |
| 6.0 | -0.6422 | 5.7882 | View | CSV | PDB |
| 6.5 | -0.6803 | 5.7882 | View | CSV | PDB |
| 7.0 | -0.6926 | 5.7882 | View | CSV | PDB |
| 7.5 | -0.6865 | 5.7882 | View | CSV | PDB |
| 8.0 | -0.6698 | 5.7882 | View | CSV | PDB |
| 8.5 | -0.6447 | 5.7882 | View | CSV | PDB |
| 9.0 | -0.6104 | 5.7882 | 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