| Chain sequence(s) |
A: MKIKTGARILALSALTTMMFSASALAKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQTRITKGSSHHHHHHSSGENLYFQGAMAVGFLSNTTSSGDTWIDGYRSMNATVTKAAKVENGFKFTGPGSRATWPVNSRWDIKQYGFVDYNFTIVAMATIHQVPSESTPLLGASLRGNKRTKLIGLSYGAGGKWETVYDGTKTVQGGTWEPGREYQVALMLQDGNKGFVYVDGKLKGNPAMLPTPEERWTEFSHFYFGGDEGDSGSDATLTDVFLYNR
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 (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:14:49)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/1429720222a264e/tmp/folded.pdb (00:14:49)
[INFO] Main: Simulation completed successfully. (00:21:13)
|
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 | 0.5222 | |
| 2 | K | A | -0.6385 | |
| 3 | I | A | 0.5458 | |
| 4 | K | A | -1.1802 | |
| 5 | T | A | -0.9933 | |
| 6 | G | A | -0.8793 | |
| 7 | A | A | -0.6049 | |
| 8 | R | A | -0.5606 | |
| 9 | I | A | 2.0254 | |
| 10 | L | A | 2.4758 | |
| 11 | A | A | 1.8197 | |
| 12 | L | A | 2.3091 | |
| 13 | S | A | 1.1749 | |
| 14 | A | A | 1.0907 | |
| 15 | L | A | 1.7769 | |
| 16 | T | A | 1.0506 | |
| 17 | T | A | 1.3941 | |
| 18 | M | A | 2.2293 | |
| 19 | M | A | 2.4379 | |
| 20 | F | A | 2.6337 | |
| 21 | S | A | 1.1562 | |
| 22 | A | A | 0.8300 | |
| 23 | S | A | 0.4830 | |
| 24 | A | A | 0.4640 | |
| 25 | L | A | 1.0375 | |
| 26 | A | A | -0.3242 | |
| 27 | K | A | -2.0151 | |
| 28 | I | A | 0.0000 | |
| 29 | E | A | -3.3532 | |
| 30 | E | A | -3.2702 | |
| 31 | G | A | -2.0812 | |
| 32 | K | A | -2.0135 | |
| 33 | L | A | 0.0000 | |
| 34 | V | A | -0.3933 | |
| 35 | I | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | I | A | 0.0000 | |
| 38 | N | A | -2.1307 | |
| 39 | G | A | -2.4414 | |
| 40 | D | A | -2.4600 | |
| 41 | K | A | -1.9685 | |
| 42 | G | A | 0.0000 | |
| 43 | Y | A | -1.5243 | |
| 44 | N | A | -1.9778 | |
| 45 | G | A | 0.0000 | |
| 46 | L | A | 0.0000 | |
| 47 | A | A | -1.8643 | |
| 48 | E | A | -3.1291 | |
| 49 | V | A | 0.0000 | |
| 50 | G | A | 0.0000 | |
| 51 | K | A | -4.3041 | |
| 52 | K | A | -4.0810 | |
| 53 | F | A | 0.0000 | |
| 54 | E | A | -4.0354 | |
| 55 | K | A | -4.0049 | |
| 56 | D | A | -3.0283 | |
| 57 | T | A | -2.0929 | |
| 58 | G | A | -2.3231 | |
| 59 | I | A | -2.1930 | |
| 60 | K | A | -2.5389 | |
| 61 | V | A | 0.0000 | |
| 62 | T | A | -0.5761 | |
| 63 | V | A | -0.5853 | |
| 64 | E | A | -1.4572 | |
| 65 | H | A | -2.2193 | |
| 66 | P | A | -2.1823 | |
| 67 | D | A | -3.3965 | |
| 68 | K | A | -3.5750 | |
| 69 | L | A | 0.0000 | |
| 70 | E | A | -2.5371 | |
| 71 | E | A | -3.4624 | |
| 72 | K | A | -2.8491 | |
| 73 | F | A | 0.0000 | |
| 74 | P | A | -1.5010 | |
| 75 | Q | A | -2.0332 | |
| 76 | V | A | -1.0709 | |
| 77 | A | A | 0.0000 | |
| 78 | A | A | -0.5236 | |
| 79 | T | A | -0.3359 | |
| 80 | G | A | -0.5325 | |
| 81 | D | A | -1.0612 | |
| 82 | G | A | -0.8854 | |
| 83 | P | A | 0.0000 | |
| 84 | D | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | I | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | W | A | -0.2558 | |
| 89 | A | A | -0.4606 | |
| 90 | H | A | 0.0000 | |
| 91 | D | A | -0.9840 | |
| 92 | R | A | -1.8204 | |
| 93 | F | A | 0.0000 | |
| 94 | G | A | 0.0000 | |
| 95 | G | A | -1.0337 | |
| 96 | Y | A | 0.0000 | |
| 97 | A | A | -1.4192 | |
| 98 | Q | A | -1.4180 | |
| 99 | S | A | -1.1203 | |
| 100 | G | A | -1.0280 | |
| 101 | L | A | 0.0000 | |
| 102 | L | A | 0.0000 | |
| 103 | A | A | -1.1993 | |
| 104 | E | A | -2.2824 | |
| 105 | I | A | 0.0000 | |
| 106 | T | A | -1.4789 | |
| 107 | P | A | 0.0000 | |
| 108 | D | A | -2.9300 | |
| 109 | K | A | -3.2589 | |
| 110 | A | A | -2.2060 | |
| 111 | F | A | 0.0000 | |
| 112 | Q | A | -2.5447 | |
| 113 | D | A | -3.0724 | |
| 114 | K | A | -2.2630 | |
| 115 | L | A | 0.0000 | |
| 116 | Y | A | -0.6607 | |
| 117 | P | A | -0.7779 | |
| 118 | F | A | -0.2416 | |
| 119 | T | A | 0.0000 | |
| 120 | W | A | 0.0000 | |
| 121 | D | A | -1.4212 | |
| 122 | A | A | 0.0000 | |
| 123 | V | A | 0.0000 | |
| 124 | R | A | -2.1785 | |
| 125 | Y | A | -2.0834 | |
| 126 | N | A | -2.5739 | |
| 127 | G | A | -2.3940 | |
| 128 | K | A | -2.8171 | |
| 129 | L | A | 0.0000 | |
| 130 | I | A | 0.0000 | |
| 131 | A | A | 0.0000 | |
| 132 | Y | A | 0.0000 | |
| 133 | P | A | 0.0000 | |
| 134 | I | A | 0.0000 | |
| 135 | A | A | 0.0000 | |
| 136 | V | A | 0.0000 | |
| 137 | E | A | -0.8656 | |
| 138 | A | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | S | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | I | A | 0.0000 | |
| 143 | Y | A | -0.5373 | |
| 144 | N | A | 0.0000 | |
| 145 | K | A | -2.0539 | |
| 146 | D | A | -2.3318 | |
| 147 | L | A | -1.4089 | |
| 148 | L | A | 0.0000 | |
| 149 | P | A | -1.5440 | |
| 150 | N | A | -1.9088 | |
| 151 | P | A | -1.1585 | |
| 152 | P | A | 0.0000 | |
| 153 | K | A | -2.0846 | |
| 154 | T | A | -1.7848 | |
| 155 | W | A | 0.0000 | |
| 156 | E | A | -1.6590 | |
| 157 | E | A | -1.3097 | |
| 158 | I | A | 0.0000 | |
| 159 | P | A | -1.4547 | |
| 160 | A | A | -1.1892 | |
| 161 | L | A | -1.3521 | |
| 162 | D | A | 0.0000 | |
| 163 | K | A | -3.3274 | |
| 164 | E | A | -3.3458 | |
| 165 | L | A | 0.0000 | |
| 166 | K | A | -3.0569 | |
| 167 | A | A | -2.4825 | |
| 168 | K | A | -2.9519 | |
| 169 | G | A | -2.5955 | |
| 170 | K | A | -2.6523 | |
| 171 | S | A | -1.7918 | |
| 172 | A | A | 0.0000 | |
| 173 | L | A | 0.0000 | |
| 174 | M | A | -0.1137 | |
| 175 | F | A | 0.0000 | |
| 176 | N | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | Q | A | -1.2043 | |
| 179 | E | A | -1.0690 | |
| 180 | P | A | 0.0000 | |
| 181 | Y | A | -0.2003 | |
| 182 | F | A | 0.0000 | |
| 183 | T | A | 0.0000 | |
| 184 | W | A | 0.0000 | |
| 185 | P | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | I | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | A | A | 0.0000 | |
| 190 | D | A | -1.6705 | |
| 191 | G | A | -0.8496 | |
| 192 | G | A | 0.0000 | |
| 193 | Y | A | -0.1870 | |
| 194 | A | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -1.9305 | |
| 197 | Y | A | -2.0178 | |
| 198 | E | A | -3.1798 | |
| 199 | N | A | -2.7566 | |
| 200 | G | A | -2.8065 | |
| 201 | K | A | -3.4820 | |
| 202 | Y | A | -2.3536 | |
| 203 | D | A | -2.7704 | |
| 204 | I | A | -1.6724 | |
| 205 | K | A | -2.5147 | |
| 206 | D | A | -1.9586 | |
| 207 | V | A | 0.0000 | |
| 208 | G | A | 0.0000 | |
| 209 | V | A | 0.0000 | |
| 210 | D | A | -1.9487 | |
| 211 | N | A | -1.1704 | |
| 212 | A | A | -0.7319 | |
| 213 | G | A | 0.0000 | |
| 214 | A | A | 0.0000 | |
| 215 | K | A | -1.2502 | |
| 216 | A | A | -0.7695 | |
| 217 | G | A | 0.0000 | |
| 218 | L | A | 0.0000 | |
| 219 | T | A | -0.3985 | |
| 220 | F | A | -0.3290 | |
| 221 | L | A | 0.0000 | |
| 222 | V | A | -1.0937 | |
| 223 | D | A | -1.8409 | |
| 224 | L | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | K | A | -3.3417 | |
| 227 | N | A | -3.2461 | |
| 228 | K | A | -3.4368 | |
| 229 | H | A | 0.0000 | |
| 230 | M | A | 0.0000 | |
| 231 | N | A | -2.6764 | |
| 232 | A | A | -1.9922 | |
| 233 | D | A | -2.1784 | |
| 234 | T | A | 0.0000 | |
| 235 | D | A | -0.8913 | |
| 236 | Y | A | 0.1934 | |
| 237 | S | A | 0.3505 | |
| 238 | I | A | 0.8930 | |
| 239 | A | A | 0.0000 | |
| 240 | E | A | -0.3669 | |
| 241 | A | A | -0.5713 | |
| 242 | A | A | -1.0520 | |
| 243 | F | A | 0.0000 | |
| 244 | N | A | -2.0800 | |
| 245 | K | A | -2.5811 | |
| 246 | G | A | -2.2589 | |
| 247 | E | A | -2.5802 | |
| 248 | T | A | 0.0000 | |
| 249 | A | A | 0.0000 | |
| 250 | M | A | 0.0000 | |
| 251 | T | A | 0.0000 | |
| 252 | I | A | 0.0000 | |
| 253 | N | A | 0.0000 | |
| 254 | G | A | 0.0000 | |
| 255 | P | A | -0.0561 | |
| 256 | W | A | -0.0316 | |
| 257 | A | A | 0.0000 | |
| 258 | W | A | 0.0000 | |
| 259 | S | A | -1.1036 | |
| 260 | N | A | -1.8727 | |
| 261 | I | A | 0.0000 | |
| 262 | D | A | -2.2645 | |
| 263 | T | A | -1.6318 | |
| 264 | S | A | -2.0481 | |
| 265 | K | A | -2.6372 | |
| 266 | V | A | -2.1677 | |
| 267 | N | A | -2.0784 | |
| 268 | Y | A | -1.2478 | |
| 269 | G | A | 0.0000 | |
| 270 | V | A | 0.0000 | |
| 271 | T | A | -0.1709 | |
| 272 | V | A | -0.0914 | |
| 273 | L | A | 0.0000 | |
| 274 | P | A | 0.0000 | |
| 275 | T | A | -1.5335 | |
| 276 | F | A | 0.0000 | |
| 277 | K | A | -2.4582 | |
| 278 | G | A | -2.0188 | |
| 279 | Q | A | -1.8508 | |
| 280 | P | A | -1.3004 | |
| 281 | S | A | 0.0000 | |
| 282 | K | A | -1.0089 | |
| 283 | P | A | 0.0000 | |
| 284 | F | A | 0.0000 | |
| 285 | V | A | 0.0000 | |
| 286 | G | A | -0.3854 | |
| 287 | V | A | 0.0000 | |
| 288 | L | A | -0.0382 | |
| 289 | S | A | 0.0000 | |
| 290 | A | A | 0.0000 | |
| 291 | G | A | 0.0000 | |
| 292 | I | A | 0.0000 | |
| 293 | N | A | 0.0000 | |
| 294 | A | A | -0.5122 | |
| 295 | A | A | -0.4727 | |
| 296 | S | A | 0.0000 | |
| 297 | P | A | -1.6333 | |
| 298 | N | A | 0.0000 | |
| 299 | K | A | -1.8370 | |
| 300 | E | A | -2.4373 | |
| 301 | L | A | -1.3808 | |
| 302 | A | A | 0.0000 | |
| 303 | K | A | -2.1084 | |
| 304 | E | A | -2.1210 | |
| 305 | F | A | 0.0000 | |
| 306 | L | A | 0.0000 | |
| 307 | E | A | -1.3554 | |
| 308 | N | A | -1.7187 | |
| 309 | Y | A | -1.4563 | |
| 310 | L | A | 0.0000 | |
| 311 | L | A | 0.0000 | |
| 312 | T | A | -1.6892 | |
| 313 | D | A | -2.3680 | |
| 314 | E | A | -2.5967 | |
| 315 | G | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | E | A | -2.5864 | |
| 318 | A | A | -2.4461 | |
| 319 | V | A | 0.0000 | |
| 320 | N | A | -2.1232 | |
| 321 | K | A | -2.7669 | |
| 322 | D | A | -2.4386 | |
| 323 | K | A | -2.6023 | |
| 324 | P | A | -1.6294 | |
| 325 | L | A | -0.7600 | |
| 326 | G | A | 0.0000 | |
| 327 | A | A | 0.0000 | |
| 328 | V | A | 0.0000 | |
| 329 | A | A | 0.0000 | |
| 330 | L | A | 0.0000 | |
| 331 | K | A | -1.9105 | |
| 332 | S | A | -1.7890 | |
| 333 | Y | A | 0.0000 | |
| 334 | E | A | 0.0000 | |
| 335 | E | A | -3.2255 | |
| 336 | E | A | -3.3620 | |
| 337 | L | A | -2.1469 | |
| 338 | A | A | -2.1232 | |
| 339 | K | A | -2.8259 | |
| 340 | D | A | -1.8460 | |
| 341 | P | A | -1.0451 | |
| 342 | R | A | -0.8670 | |
| 343 | I | A | -1.1014 | |
| 344 | A | A | -1.1943 | |
| 345 | A | A | 0.0000 | |
| 346 | T | A | 0.0000 | |
| 347 | M | A | 0.0000 | |
| 348 | E | A | -1.5141 | |
| 349 | N | A | 0.0000 | |
| 350 | A | A | 0.0000 | |
| 351 | Q | A | -1.6339 | |
| 352 | K | A | -1.6498 | |
| 353 | G | A | -1.1064 | |
| 354 | E | A | -0.3684 | |
| 355 | I | A | -0.1785 | |
| 356 | M | A | 0.0098 | |
| 357 | P | A | 0.0000 | |
| 358 | N | A | 0.0000 | |
| 359 | I | A | -0.6460 | |
| 360 | P | A | -0.5397 | |
| 361 | Q | A | -0.1184 | |
| 362 | M | A | 0.0000 | |
| 363 | S | A | 0.0990 | |
| 364 | A | A | -0.0776 | |
| 365 | F | A | 0.0000 | |
| 366 | W | A | -0.0438 | |
| 367 | Y | A | -0.1828 | |
| 368 | A | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | R | A | -1.0864 | |
| 371 | T | A | -0.6141 | |
| 372 | A | A | 0.0000 | |
| 373 | V | A | 0.0000 | |
| 374 | I | A | -0.5700 | |
| 375 | N | A | 0.0000 | |
| 376 | A | A | 0.0000 | |
| 377 | A | A | -1.1570 | |
| 378 | S | A | -1.4911 | |
| 379 | G | A | -1.6294 | |
| 380 | R | A | -2.3303 | |
| 381 | Q | A | -1.9797 | |
| 382 | T | A | -1.8956 | |
| 383 | V | A | -1.8909 | |
| 384 | D | A | -3.4803 | |
| 385 | E | A | -3.8471 | |
| 386 | A | A | 0.0000 | |
| 387 | L | A | 0.0000 | |
| 388 | K | A | -3.9169 | |
| 389 | D | A | -3.4965 | |
| 390 | A | A | 0.0000 | |
| 391 | Q | A | -2.1005 | |
| 392 | T | A | -1.5578 | |
| 393 | R | A | -1.2687 | |
| 394 | I | A | 0.0000 | |
| 395 | T | A | -1.1492 | |
| 396 | K | A | -1.3072 | |
| 397 | G | A | -1.0938 | |
| 398 | S | A | 0.0000 | |
| 399 | S | A | -1.7611 | |
| 400 | H | A | -2.2145 | |
| 401 | H | A | -2.3481 | |
| 402 | H | A | -2.5729 | |
| 403 | H | A | -2.6455 | |
| 404 | H | A | -2.4571 | |
| 405 | H | A | -2.0231 | |
| 406 | S | A | -1.4650 | |
| 407 | S | A | -1.3309 | |
| 408 | G | A | -1.7731 | |
| 409 | E | A | -2.1492 | |
| 410 | N | A | -1.7430 | |
| 411 | L | A | 0.5128 | |
| 412 | Y | A | 0.5524 | |
| 413 | F | A | 0.2165 | |
| 414 | Q | A | -0.7894 | |
| 415 | G | A | -1.1305 | |
| 416 | A | A | -0.5008 | |
| 417 | M | A | 0.1394 | |
| 418 | A | A | 0.1193 | |
| 419 | V | A | 0.0000 | |
| 420 | G | A | 0.0000 | |
| 421 | F | A | 0.0000 | |
| 422 | L | A | 0.0000 | |
| 423 | S | A | 0.0000 | |
| 424 | N | A | -1.3957 | |
| 425 | T | A | -0.7928 | |
| 426 | T | A | -0.8608 | |
| 427 | S | A | -0.6968 | |
| 428 | S | A | -1.0585 | |
| 429 | G | A | -1.8132 | |
| 430 | D | A | -2.3896 | |
| 431 | T | A | -1.1559 | |
| 432 | W | A | 0.0000 | |
| 433 | I | A | -0.3388 | |
| 434 | D | A | 0.0000 | |
| 435 | G | A | 0.0000 | |
| 436 | Y | A | -0.1936 | |
| 437 | R | A | -1.0304 | |
| 438 | S | A | -0.6962 | |
| 439 | M | A | -0.5440 | |
| 440 | N | A | -0.5810 | |
| 441 | A | A | 0.0000 | |
| 442 | T | A | -0.7843 | |
| 443 | V | A | 0.0000 | |
| 444 | T | A | -1.5372 | |
| 445 | K | A | -2.3854 | |
| 446 | A | A | -1.7219 | |
| 447 | A | A | -1.2070 | |
| 448 | K | A | -1.9222 | |
| 449 | V | A | -1.3884 | |
| 450 | E | A | -2.3568 | |
| 451 | N | A | -1.7210 | |
| 452 | G | A | 0.0000 | |
| 453 | F | A | 0.0000 | |
| 454 | K | A | -1.4810 | |
| 455 | F | A | 0.0000 | |
| 456 | T | A | -1.1347 | |
| 457 | G | A | -0.8008 | |
| 458 | P | A | -0.9407 | |
| 459 | G | A | -1.3517 | |
| 460 | S | A | 0.0000 | |
| 461 | R | A | -1.3235 | |
| 462 | A | A | 0.0000 | |
| 463 | T | A | -0.4738 | |
| 464 | W | A | 0.0000 | |
| 465 | P | A | -0.4494 | |
| 466 | V | A | 0.0000 | |
| 467 | N | A | -1.3822 | |
| 468 | S | A | -1.0498 | |
| 469 | R | A | -1.9181 | |
| 470 | W | A | -0.3041 | |
| 471 | D | A | -1.5186 | |
| 472 | I | A | -0.1200 | |
| 473 | K | A | -1.6008 | |
| 474 | Q | A | -1.0612 | |
| 475 | Y | A | 0.0000 | |
| 476 | G | A | -0.6036 | |
| 477 | F | A | -0.0372 | |
| 478 | V | A | 0.0000 | |
| 479 | D | A | 0.0000 | |
| 480 | Y | A | -0.1455 | |
| 481 | N | A | -1.3328 | |
| 482 | F | A | 0.0000 | |
| 483 | T | A | 0.0000 | |
| 484 | I | A | 0.0000 | |
| 485 | V | A | 0.0000 | |
| 486 | A | A | 0.0000 | |
| 487 | M | A | -0.6355 | |
| 488 | A | A | 0.0000 | |
| 489 | T | A | -2.0881 | |
| 490 | I | A | 0.0000 | |
| 491 | H | A | -1.7319 | |
| 492 | Q | A | -1.0397 | |
| 493 | V | A | 0.2340 | |
| 494 | P | A | -0.4407 | |
| 495 | S | A | -0.9118 | |
| 496 | E | A | -1.8022 | |
| 497 | S | A | -1.0253 | |
| 498 | T | A | 0.0000 | |
| 499 | P | A | 0.0000 | |
| 500 | L | A | 0.0000 | |
| 501 | L | A | 0.0000 | |
| 502 | G | A | 0.0000 | |
| 503 | A | A | 0.0000 | |
| 504 | S | A | 0.0000 | |
| 505 | L | A | 0.0000 | |
| 506 | R | A | -2.8579 | |
| 507 | G | A | -2.2728 | |
| 508 | N | A | -2.6520 | |
| 509 | K | A | -2.9574 | |
| 510 | R | A | -2.5930 | |
| 511 | T | A | -1.9092 | |
| 512 | K | A | -1.4619 | |
| 513 | L | A | 0.0000 | |
| 514 | I | A | 0.0000 | |
| 515 | G | A | 0.0000 | |
| 516 | L | A | 0.0000 | |
| 517 | S | A | 0.0000 | |
| 518 | Y | A | 0.0000 | |
| 519 | G | A | 0.0000 | |
| 520 | A | A | -0.7151 | |
| 521 | G | A | -0.6354 | |
| 522 | G | A | -1.0387 | |
| 523 | K | A | -1.1716 | |
| 524 | W | A | 0.0000 | |
| 525 | E | A | 0.0000 | |
| 526 | T | A | 0.0000 | |
| 527 | V | A | 0.0000 | |
| 528 | Y | A | -0.8967 | |
| 529 | D | A | -1.7480 | |
| 530 | G | A | -1.7643 | |
| 531 | T | A | -1.3041 | |
| 532 | K | A | -1.1630 | |
| 533 | T | A | 0.0270 | |
| 534 | V | A | 0.8061 | |
| 535 | Q | A | -0.3252 | |
| 536 | G | A | -0.7111 | |
| 537 | G | A | -0.9143 | |
| 538 | T | A | -1.3101 | |
| 539 | W | A | 0.0000 | |
| 540 | E | A | -2.7995 | |
| 541 | P | A | -2.1278 | |
| 542 | G | A | -2.5854 | |
| 543 | R | A | -3.5527 | |
| 544 | E | A | -3.2829 | |
| 545 | Y | A | 0.0000 | |
| 546 | Q | A | -1.2423 | |
| 547 | V | A | 0.0000 | |
| 548 | A | A | 0.0000 | |
| 549 | L | A | 0.0000 | |
| 550 | M | A | -0.5204 | |
| 551 | L | A | 0.0000 | |
| 552 | Q | A | -2.0035 | |
| 553 | D | A | -2.3151 | |
| 554 | G | A | 0.0000 | |
| 555 | N | A | -0.9367 | |
| 556 | K | A | -0.9194 | |
| 557 | G | A | 0.0000 | |
| 558 | F | A | -0.0382 | |
| 559 | V | A | 0.0000 | |
| 560 | Y | A | -0.5704 | |
| 561 | V | A | 0.0000 | |
| 562 | D | A | -2.1794 | |
| 563 | G | A | -1.5129 | |
| 564 | K | A | -1.9519 | |
| 565 | L | A | -0.8091 | |
| 566 | K | A | -0.8500 | |
| 567 | G | A | -0.9678 | |
| 568 | N | A | -1.2394 | |
| 569 | P | A | -0.4869 | |
| 570 | A | A | -0.1866 | |
| 571 | M | A | 0.4137 | |
| 572 | L | A | 0.0000 | |
| 573 | P | A | -0.9743 | |
| 574 | T | A | -1.2630 | |
| 575 | P | A | -1.3318 | |
| 576 | E | A | -2.4249 | |
| 577 | E | A | -2.3900 | |
| 578 | R | A | 0.0000 | |
| 579 | W | A | -0.2806 | |
| 580 | T | A | -0.8308 | |
| 581 | E | A | -1.1686 | |
| 582 | F | A | 0.0000 | |
| 583 | S | A | -1.2947 | |
| 584 | H | A | 0.0000 | |
| 585 | F | A | 0.0000 | |
| 586 | Y | A | 0.0000 | |
| 587 | F | A | 0.0000 | |
| 588 | G | A | 0.0000 | |
| 589 | G | A | 0.0000 | |
| 590 | D | A | 0.0000 | |
| 591 | E | A | -2.3282 | |
| 592 | G | A | -1.6258 | |
| 593 | D | A | -1.3805 | |
| 594 | S | A | -1.1548 | |
| 595 | G | A | 0.0000 | |
| 596 | S | A | 0.0000 | |
| 597 | D | A | -0.9665 | |
| 598 | A | A | 0.0000 | |
| 599 | T | A | -0.8302 | |
| 600 | L | A | 0.0000 | |
| 601 | T | A | -0.8759 | |
| 602 | D | A | -0.8846 | |
| 603 | V | A | 0.0000 | |
| 604 | F | A | 0.2481 | |
| 605 | L | A | 0.0000 | |
| 606 | Y | A | -0.3206 | |
| 607 | N | A | -1.0762 | |
| 608 | R | A | -2.3015 |
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 | -0.7673 | 4.8332 | View | CSV | PDB |
| 4.5 | -0.8346 | 4.8332 | View | CSV | PDB |
| 5.0 | -0.9153 | 4.8332 | View | CSV | PDB |
| 5.5 | -0.9929 | 4.8332 | View | CSV | PDB |
| 6.0 | -1.0483 | 4.8332 | View | CSV | PDB |
| 6.5 | -1.0675 | 4.8332 | View | CSV | PDB |
| 7.0 | -1.0516 | 4.8332 | View | CSV | PDB |
| 7.5 | -1.0132 | 4.8332 | View | CSV | PDB |
| 8.0 | -0.9628 | 4.8332 | View | CSV | PDB |
| 8.5 | -0.9033 | 4.8332 | View | CSV | PDB |
| 9.0 | -0.8345 | 4.8332 | 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