| Chain sequence(s) |
A: MAERKQSGKAAEDEEVPAFFKNLGSGEPKPRQKFCGMFCPVEGSSENKTIDFDSLSVGRGSGQVVAQQRDVAHLGPDPQPPYSRQGRRAGGEPSVESGRKVEIRRASGKEALQNINDQSDRLLIKGGKIVNDDQSFYADIYMEDGLIKQIGENLIVPGGVKTIEAHSRMVIPGGIDVHTRFQMPDQGMTSADDFFQGTKAALAGGTTMIIDHVVPEPGTSLLAAFDQWREWADSKSCCDYSLHVDISEWHKGIQEEMEALVKDHGVNSFLVYMAFKDRFQLTDCQIYEVLSVIRDIGAIAQVHAENGDIIAEEQQRILDLGITGPEGHVLSRPEEVEAEAVNRAITIANQTNCPLYITKVMSKSSAEVIAQARKKGTVVYGEPITASLGTDGSHYWSKNWAKAAAFVTSPPLSPDPTTPDFLNSLLSCGDLQVTGSAHCTFNTAQKAVGKDNFTLIPEGTNGTEERMSVIWDKAVVTGKMDENQFVAVTSTNAAKVFNLYPRKGRIAVGSDADLVIWDPDSVKTISAKTHNSSLEYNIFEGMECRGSPLVVISQGKIVLEDGTLHVTEGSGRYIPRKPFPDFVYKRIKARSRLAELRGVPRGLYDGPVCEVSVTPKTVTPASSAKTSPAKQQAPPVRNLHQSGFSLSGAQIDDNIPRRTTQRIVAPPGGRANITSLG
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 |
| Mutated residues | TD614A,SD627A,TD619A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -0.663159 kcal/mol |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] FoldX: Building mutant model (00:04:30)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:04:40)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ea7c9b140690f45/tmp/folded.pdb (00:04:40)
[INFO] Main: Simulation completed successfully. (00:09:08)
|
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 | 0.7085 | |
| 2 | A | A | -0.7222 | |
| 3 | E | A | -2.8783 | |
| 4 | R | A | -3.8497 | |
| 5 | K | A | -3.6674 | |
| 6 | Q | A | -2.6975 | |
| 7 | S | A | -1.7532 | |
| 8 | G | A | -1.6481 | |
| 9 | K | A | -1.9165 | |
| 10 | A | A | -1.2831 | |
| 11 | A | A | -1.5545 | |
| 12 | E | A | -3.1116 | |
| 13 | D | A | -3.8717 | |
| 14 | E | A | -3.6020 | |
| 15 | E | A | -2.3399 | |
| 16 | V | A | 0.7274 | |
| 17 | P | A | 0.8530 | |
| 18 | A | A | 1.2174 | |
| 19 | F | A | 2.4309 | |
| 20 | F | A | 2.1816 | |
| 21 | K | A | -0.5993 | |
| 22 | N | A | -0.7277 | |
| 23 | L | A | 0.5391 | |
| 24 | G | A | -0.6852 | |
| 25 | S | A | -0.9615 | |
| 26 | G | A | -1.5813 | |
| 27 | E | A | -2.7808 | |
| 28 | P | A | -2.3754 | |
| 29 | K | A | -3.0483 | |
| 30 | P | A | -2.7383 | |
| 31 | R | A | -3.1421 | |
| 32 | Q | A | -2.6883 | |
| 33 | K | A | -1.6663 | |
| 34 | F | A | 0.8528 | |
| 35 | C | A | 1.2506 | |
| 36 | G | A | 1.1349 | |
| 37 | M | A | 2.0579 | |
| 38 | F | A | 2.8300 | |
| 39 | C | A | 1.9361 | |
| 40 | P | A | 0.8625 | |
| 41 | V | A | 0.9823 | |
| 42 | E | A | -1.2528 | |
| 43 | G | A | -1.4436 | |
| 44 | S | A | -1.3162 | |
| 45 | S | A | -2.1192 | |
| 46 | E | A | -3.1380 | |
| 47 | N | A | -2.8486 | |
| 48 | K | A | -2.5795 | |
| 49 | T | A | -0.6902 | |
| 50 | I | A | 0.8135 | |
| 51 | D | A | -0.5146 | |
| 52 | F | A | 1.0190 | |
| 53 | D | A | -0.8418 | |
| 54 | S | A | 0.2404 | |
| 55 | L | A | 1.4428 | |
| 56 | S | A | 0.8415 | |
| 57 | V | A | 1.3938 | |
| 58 | G | A | -0.5194 | |
| 59 | R | A | -2.0491 | |
| 60 | G | A | -1.6725 | |
| 61 | S | A | -1.4170 | |
| 62 | G | A | -1.0544 | |
| 63 | Q | A | -0.1911 | |
| 64 | V | A | 1.9612 | |
| 65 | V | A | 2.1136 | |
| 66 | A | A | 0.4330 | |
| 67 | Q | A | -1.7450 | |
| 68 | Q | A | -3.0618 | |
| 69 | R | A | -3.2177 | |
| 70 | D | A | -2.0779 | |
| 71 | V | A | 0.2918 | |
| 72 | A | A | 0.3447 | |
| 73 | H | A | 0.0650 | |
| 74 | L | A | 0.8066 | |
| 75 | G | A | -0.4712 | |
| 76 | P | A | -1.0824 | |
| 77 | D | A | -2.4644 | |
| 78 | P | A | -1.8923 | |
| 79 | Q | A | -1.9360 | |
| 80 | P | A | -0.9748 | |
| 81 | P | A | -0.0379 | |
| 82 | Y | A | 0.6546 | |
| 83 | S | A | -0.8141 | |
| 84 | R | A | -2.3684 | |
| 85 | Q | A | -2.7713 | |
| 86 | G | A | -2.7179 | |
| 87 | R | A | -3.2228 | |
| 88 | R | A | -2.9565 | |
| 89 | A | A | -1.7490 | |
| 90 | G | A | -1.5111 | |
| 91 | G | A | -1.8605 | |
| 92 | E | A | -2.1207 | |
| 93 | P | A | -1.1821 | |
| 94 | S | A | -0.5698 | |
| 95 | V | A | 0.3700 | |
| 96 | E | A | -1.5702 | |
| 97 | S | A | -1.4486 | |
| 98 | G | A | -2.1477 | |
| 99 | R | A | -3.4753 | |
| 100 | K | A | -3.3002 | |
| 101 | V | A | -2.4236 | |
| 102 | E | A | -2.8826 | |
| 103 | I | A | -2.0905 | |
| 104 | R | A | -3.0938 | |
| 105 | R | A | -3.0642 | |
| 106 | A | A | -2.2905 | |
| 107 | S | A | -1.6562 | |
| 108 | G | A | -1.5107 | |
| 109 | K | A | -2.3853 | |
| 110 | E | A | -2.4209 | |
| 111 | A | A | -1.0382 | |
| 112 | L | A | 0.1120 | |
| 113 | Q | A | -1.3381 | |
| 114 | N | A | -1.2978 | |
| 115 | I | A | 0.6432 | |
| 116 | N | A | -1.5681 | |
| 117 | D | A | -2.8096 | |
| 118 | Q | A | -2.7283 | |
| 119 | S | A | -2.7650 | |
| 120 | D | A | -3.3464 | |
| 121 | R | A | -2.2448 | |
| 122 | L | A | 0.0000 | |
| 123 | L | A | 0.0000 | |
| 124 | I | A | 0.0000 | |
| 125 | K | A | -1.4879 | |
| 126 | G | A | -1.3565 | |
| 127 | G | A | 0.0000 | |
| 128 | K | A | -0.0499 | |
| 129 | I | A | 0.0000 | |
| 130 | V | A | 0.0000 | |
| 131 | N | A | 0.0000 | |
| 132 | D | A | -2.1941 | |
| 133 | D | A | -2.8147 | |
| 134 | Q | A | -2.1954 | |
| 135 | S | A | -0.6323 | |
| 136 | F | A | 0.9570 | |
| 137 | Y | A | 0.9031 | |
| 138 | A | A | 0.0000 | |
| 139 | D | A | 0.0000 | |
| 140 | I | A | 0.0000 | |
| 141 | Y | A | 0.0000 | |
| 142 | M | A | 0.0000 | |
| 143 | E | A | -2.2089 | |
| 144 | D | A | -2.8528 | |
| 145 | G | A | 0.0000 | |
| 146 | L | A | -0.8641 | |
| 147 | I | A | 0.0000 | |
| 148 | K | A | -0.9761 | |
| 149 | Q | A | -0.7729 | |
| 150 | I | A | -0.2349 | |
| 151 | G | A | -0.9195 | |
| 152 | E | A | -2.0453 | |
| 153 | N | A | -1.5906 | |
| 154 | L | A | -0.0687 | |
| 155 | I | A | 1.5632 | |
| 156 | V | A | 0.8627 | |
| 157 | P | A | 0.0880 | |
| 158 | G | A | -0.7501 | |
| 159 | G | A | -1.7021 | |
| 160 | V | A | 0.0000 | |
| 161 | K | A | -2.0990 | |
| 162 | T | A | -1.7476 | |
| 163 | I | A | 0.0000 | |
| 164 | E | A | -1.9603 | |
| 165 | A | A | 0.0000 | |
| 166 | H | A | -1.9802 | |
| 167 | S | A | -1.0458 | |
| 168 | R | A | -0.8902 | |
| 169 | M | A | 0.0000 | |
| 170 | V | A | 0.0000 | |
| 171 | I | A | 0.0000 | |
| 172 | P | A | 0.0000 | |
| 173 | G | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | I | A | 0.0000 | |
| 176 | D | A | 0.0000 | |
| 177 | V | A | 0.0000 | |
| 178 | H | A | 0.0000 | |
| 179 | T | A | 0.0000 | |
| 180 | R | A | 0.0000 | |
| 181 | F | A | 0.0000 | |
| 182 | Q | A | -0.2849 | |
| 183 | M | A | 0.0000 | |
| 184 | P | A | -0.8023 | |
| 185 | D | A | -1.1815 | |
| 186 | Q | A | -1.4162 | |
| 187 | G | A | -1.0644 | |
| 188 | M | A | -0.6258 | |
| 189 | T | A | -0.5071 | |
| 190 | S | A | 0.0000 | |
| 191 | A | A | -0.2592 | |
| 192 | D | A | 0.0000 | |
| 193 | D | A | -0.4699 | |
| 194 | F | A | 0.0000 | |
| 195 | F | A | -0.7052 | |
| 196 | Q | A | -0.6901 | |
| 197 | G | A | 0.0000 | |
| 198 | T | A | 0.0000 | |
| 199 | K | A | -0.6808 | |
| 200 | A | A | 0.0000 | |
| 201 | A | A | 0.0000 | |
| 202 | L | A | 0.0000 | |
| 203 | A | A | -0.2455 | |
| 204 | G | A | 0.0000 | |
| 205 | G | A | 0.0000 | |
| 206 | T | A | 0.0000 | |
| 207 | T | A | 0.0000 | |
| 208 | M | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | I | A | 0.0000 | |
| 211 | D | A | 0.0000 | |
| 212 | H | A | 0.0000 | |
| 213 | V | A | 0.0000 | |
| 214 | V | A | -0.3155 | |
| 215 | P | A | 0.0000 | |
| 216 | E | A | -2.2581 | |
| 217 | P | A | -1.7567 | |
| 218 | G | A | -1.2582 | |
| 219 | T | A | -0.9535 | |
| 220 | S | A | -0.3826 | |
| 221 | L | A | 0.0000 | |
| 222 | L | A | -0.2681 | |
| 223 | A | A | -0.6156 | |
| 224 | A | A | 0.0000 | |
| 225 | F | A | 0.0000 | |
| 226 | D | A | -2.5025 | |
| 227 | Q | A | -1.9463 | |
| 228 | W | A | 0.0000 | |
| 229 | R | A | -2.3305 | |
| 230 | E | A | -2.9545 | |
| 231 | W | A | -1.6409 | |
| 232 | A | A | 0.0000 | |
| 233 | D | A | -2.2423 | |
| 234 | S | A | -1.9095 | |
| 235 | K | A | -1.9003 | |
| 236 | S | A | 0.0000 | |
| 237 | C | A | 0.0000 | |
| 238 | C | A | 0.0000 | |
| 239 | D | A | 0.0000 | |
| 240 | Y | A | 0.0000 | |
| 241 | S | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | H | A | 0.0000 | |
| 244 | V | A | 0.0000 | |
| 245 | D | A | 0.0000 | |
| 246 | I | A | 0.0000 | |
| 247 | S | A | 0.0000 | |
| 248 | E | A | -2.2021 | |
| 249 | W | A | 0.0000 | |
| 250 | H | A | -2.3629 | |
| 251 | K | A | -2.8310 | |
| 252 | G | A | -2.1014 | |
| 253 | I | A | -1.8363 | |
| 254 | Q | A | -2.1874 | |
| 255 | E | A | -2.6823 | |
| 256 | E | A | -1.6470 | |
| 257 | M | A | 0.0000 | |
| 258 | E | A | -2.4805 | |
| 259 | A | A | -2.1287 | |
| 260 | L | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | K | A | -3.1533 | |
| 263 | D | A | -3.0431 | |
| 264 | H | A | -2.0196 | |
| 265 | G | A | -1.6803 | |
| 266 | V | A | 0.0000 | |
| 267 | N | A | 0.0000 | |
| 268 | S | A | 0.0000 | |
| 269 | F | A | 0.0000 | |
| 270 | L | A | 0.0000 | |
| 271 | V | A | 0.0000 | |
| 272 | Y | A | 0.0000 | |
| 273 | M | A | 0.0000 | |
| 274 | A | A | 0.0000 | |
| 275 | F | A | -1.1945 | |
| 276 | K | A | -2.4174 | |
| 277 | D | A | -3.0363 | |
| 278 | R | A | -2.5829 | |
| 279 | F | A | 0.0000 | |
| 280 | Q | A | -1.8607 | |
| 281 | L | A | 0.0000 | |
| 282 | T | A | -0.7733 | |
| 283 | D | A | -0.9286 | |
| 284 | C | A | 0.0347 | |
| 285 | Q | A | -0.9708 | |
| 286 | I | A | 0.0000 | |
| 287 | Y | A | -0.1589 | |
| 288 | E | A | -1.1015 | |
| 289 | V | A | 0.0000 | |
| 290 | L | A | 0.0000 | |
| 291 | S | A | -0.9131 | |
| 292 | V | A | -1.0571 | |
| 293 | I | A | 0.0000 | |
| 294 | R | A | -1.1593 | |
| 295 | D | A | -1.9490 | |
| 296 | I | A | 0.0000 | |
| 297 | G | A | 0.0000 | |
| 298 | A | A | 0.0000 | |
| 299 | I | A | 0.0000 | |
| 300 | A | A | 0.0000 | |
| 301 | Q | A | 0.0000 | |
| 302 | V | A | 0.0000 | |
| 303 | H | A | 0.0000 | |
| 304 | A | A | 0.0000 | |
| 305 | E | A | 0.0000 | |
| 306 | N | A | -0.8413 | |
| 307 | G | A | 0.0000 | |
| 308 | D | A | -1.9450 | |
| 309 | I | A | -0.6125 | |
| 310 | I | A | 0.0000 | |
| 311 | A | A | -2.0557 | |
| 312 | E | A | -2.7855 | |
| 313 | E | A | -2.1364 | |
| 314 | Q | A | -1.7842 | |
| 315 | Q | A | -2.7332 | |
| 316 | R | A | -2.6020 | |
| 317 | I | A | 0.0000 | |
| 318 | L | A | -1.1395 | |
| 319 | D | A | -1.7443 | |
| 320 | L | A | 0.2732 | |
| 321 | G | A | -0.3388 | |
| 322 | I | A | 0.0575 | |
| 323 | T | A | -0.8620 | |
| 324 | G | A | -0.9756 | |
| 325 | P | A | 0.0000 | |
| 326 | E | A | -0.0462 | |
| 327 | G | A | 0.0000 | |
| 328 | H | A | 0.0000 | |
| 329 | V | A | 0.0000 | |
| 330 | L | A | 0.4487 | |
| 331 | S | A | 0.0000 | |
| 332 | R | A | 0.0000 | |
| 333 | P | A | -0.7463 | |
| 334 | E | A | -1.5656 | |
| 335 | E | A | -2.3946 | |
| 336 | V | A | 0.0000 | |
| 337 | E | A | 0.0000 | |
| 338 | A | A | -1.8414 | |
| 339 | E | A | -1.8504 | |
| 340 | A | A | 0.0000 | |
| 341 | V | A | 0.0000 | |
| 342 | N | A | -1.7557 | |
| 343 | R | A | -1.4048 | |
| 344 | A | A | 0.0000 | |
| 345 | I | A | 0.0000 | |
| 346 | T | A | -1.0233 | |
| 347 | I | A | 0.0000 | |
| 348 | A | A | 0.0000 | |
| 349 | N | A | -1.5129 | |
| 350 | Q | A | -1.5886 | |
| 351 | T | A | 0.0000 | |
| 352 | N | A | -1.6159 | |
| 353 | C | A | 0.0000 | |
| 354 | P | A | 0.0000 | |
| 355 | L | A | 0.0000 | |
| 356 | Y | A | 0.0000 | |
| 357 | I | A | 0.0000 | |
| 358 | T | A | 0.0000 | |
| 359 | K | A | 0.0000 | |
| 360 | V | A | 0.0000 | |
| 361 | M | A | 0.0000 | |
| 362 | S | A | 0.0000 | |
| 363 | K | A | -1.3666 | |
| 364 | S | A | -1.4558 | |
| 365 | S | A | 0.0000 | |
| 366 | A | A | 0.0000 | |
| 367 | E | A | -2.2424 | |
| 368 | V | A | -1.6950 | |
| 369 | I | A | 0.0000 | |
| 370 | A | A | 0.0000 | |
| 371 | Q | A | -2.7443 | |
| 372 | A | A | 0.0000 | |
| 373 | R | A | -2.5051 | |
| 374 | K | A | -3.1842 | |
| 375 | K | A | -3.0281 | |
| 376 | G | A | -2.2085 | |
| 377 | T | A | -1.6304 | |
| 378 | V | A | -0.8944 | |
| 379 | V | A | 0.0000 | |
| 380 | Y | A | 0.0000 | |
| 381 | G | A | 0.0000 | |
| 382 | E | A | 0.0000 | |
| 383 | P | A | 0.0000 | |
| 384 | I | A | 0.0000 | |
| 385 | T | A | 0.0000 | |
| 386 | A | A | 0.0000 | |
| 387 | S | A | 0.0000 | |
| 388 | L | A | 0.0000 | |
| 389 | G | A | 0.0000 | |
| 390 | T | A | 0.0000 | |
| 391 | D | A | -0.6458 | |
| 392 | G | A | 0.0000 | |
| 393 | S | A | -0.5185 | |
| 394 | H | A | -0.7926 | |
| 395 | Y | A | 0.0000 | |
| 396 | W | A | -0.3546 | |
| 397 | S | A | -1.2582 | |
| 398 | K | A | -2.1752 | |
| 399 | N | A | -1.9684 | |
| 400 | W | A | -1.3234 | |
| 401 | A | A | -1.0135 | |
| 402 | K | A | -1.2682 | |
| 403 | A | A | 0.0000 | |
| 404 | A | A | 0.0000 | |
| 405 | A | A | -0.4528 | |
| 406 | F | A | 0.0000 | |
| 407 | V | A | 0.0000 | |
| 408 | T | A | 0.0000 | |
| 409 | S | A | 0.0000 | |
| 410 | P | A | 0.0000 | |
| 411 | P | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | S | A | 0.0000 | |
| 414 | P | A | -0.7048 | |
| 415 | D | A | -1.0783 | |
| 416 | P | A | -1.0243 | |
| 417 | T | A | -1.0012 | |
| 418 | T | A | 0.0000 | |
| 419 | P | A | 0.0000 | |
| 420 | D | A | -1.8733 | |
| 421 | F | A | -0.8072 | |
| 422 | L | A | 0.0000 | |
| 423 | N | A | 0.0000 | |
| 424 | S | A | -0.4164 | |
| 425 | L | A | -0.2961 | |
| 426 | L | A | 0.0000 | |
| 427 | S | A | -0.2419 | |
| 428 | C | A | 0.4376 | |
| 429 | G | A | -0.0503 | |
| 430 | D | A | -0.7775 | |
| 431 | L | A | 0.0000 | |
| 432 | Q | A | 0.0000 | |
| 433 | V | A | 0.0000 | |
| 434 | T | A | 0.0000 | |
| 435 | G | A | 0.0000 | |
| 436 | S | A | 0.0000 | |
| 437 | A | A | 0.0000 | |
| 438 | H | A | 0.0000 | |
| 439 | C | A | 0.0000 | |
| 440 | T | A | 0.0000 | |
| 441 | F | A | 0.0000 | |
| 442 | N | A | -0.6785 | |
| 443 | T | A | -0.3965 | |
| 444 | A | A | -0.0475 | |
| 445 | Q | A | 0.0204 | |
| 446 | K | A | 0.0000 | |
| 447 | A | A | -0.2570 | |
| 448 | V | A | 0.5847 | |
| 449 | G | A | 0.0000 | |
| 450 | K | A | -2.0863 | |
| 451 | D | A | -2.4230 | |
| 452 | N | A | -1.3297 | |
| 453 | F | A | 0.0000 | |
| 454 | T | A | -0.2914 | |
| 455 | L | A | 0.1229 | |
| 456 | I | A | 0.0000 | |
| 457 | P | A | 0.0000 | |
| 458 | E | A | -0.3713 | |
| 459 | G | A | 0.0000 | |
| 460 | T | A | 0.0000 | |
| 461 | N | A | 0.0000 | |
| 462 | G | A | 0.0000 | |
| 463 | T | A | 0.0000 | |
| 464 | E | A | -0.3430 | |
| 465 | E | A | 0.0000 | |
| 466 | R | A | 0.0000 | |
| 467 | M | A | 0.0000 | |
| 468 | S | A | -0.5220 | |
| 469 | V | A | 0.0000 | |
| 470 | I | A | 0.0000 | |
| 471 | W | A | 0.0000 | |
| 472 | D | A | 0.0000 | |
| 473 | K | A | -0.7798 | |
| 474 | A | A | 0.0000 | |
| 475 | V | A | -0.5586 | |
| 476 | V | A | -0.0588 | |
| 477 | T | A | -0.4553 | |
| 478 | G | A | -0.8777 | |
| 479 | K | A | -1.2336 | |
| 480 | M | A | 0.0000 | |
| 481 | D | A | -1.9573 | |
| 482 | E | A | -1.6226 | |
| 483 | N | A | -2.0184 | |
| 484 | Q | A | -1.7357 | |
| 485 | F | A | 0.0000 | |
| 486 | V | A | 0.0000 | |
| 487 | A | A | -1.0318 | |
| 488 | V | A | 0.0000 | |
| 489 | T | A | 0.0000 | |
| 490 | S | A | 0.0000 | |
| 491 | T | A | 0.0000 | |
| 492 | N | A | -0.2218 | |
| 493 | A | A | 0.0000 | |
| 494 | A | A | 0.0000 | |
| 495 | K | A | -0.5430 | |
| 496 | V | A | 0.0000 | |
| 497 | F | A | 0.0000 | |
| 498 | N | A | -1.1195 | |
| 499 | L | A | 0.0000 | |
| 500 | Y | A | -0.5256 | |
| 501 | P | A | -0.7047 | |
| 502 | R | A | -1.3882 | |
| 503 | K | A | 0.0000 | |
| 504 | G | A | 0.0000 | |
| 505 | R | A | -0.6972 | |
| 506 | I | A | 0.0000 | |
| 507 | A | A | 0.2462 | |
| 508 | V | A | 0.9252 | |
| 509 | G | A | -0.1592 | |
| 510 | S | A | 0.0000 | |
| 511 | D | A | 0.0000 | |
| 512 | A | A | 0.0000 | |
| 513 | D | A | 0.0000 | |
| 514 | L | A | 0.0000 | |
| 515 | V | A | 0.0000 | |
| 516 | I | A | 0.0000 | |
| 517 | W | A | 0.0000 | |
| 518 | D | A | 0.0000 | |
| 519 | P | A | -0.8150 | |
| 520 | D | A | -1.7435 | |
| 521 | S | A | -0.7227 | |
| 522 | V | A | -0.2588 | |
| 523 | K | A | -1.7259 | |
| 524 | T | A | -1.6505 | |
| 525 | I | A | -1.4227 | |
| 526 | S | A | 0.0000 | |
| 527 | A | A | -1.6257 | |
| 528 | K | A | -2.1945 | |
| 529 | T | A | -0.9768 | |
| 530 | H | A | -0.8829 | |
| 531 | N | A | -0.7241 | |
| 532 | S | A | -0.8034 | |
| 533 | S | A | -0.8143 | |
| 534 | L | A | -0.9732 | |
| 535 | E | A | -1.8983 | |
| 536 | Y | A | -1.0701 | |
| 537 | N | A | 0.0000 | |
| 538 | I | A | 0.0000 | |
| 539 | F | A | 0.0000 | |
| 540 | E | A | -2.0724 | |
| 541 | G | A | -1.7773 | |
| 542 | M | A | -1.7445 | |
| 543 | E | A | -2.3313 | |
| 544 | C | A | 0.0000 | |
| 545 | R | A | -1.3706 | |
| 546 | G | A | 0.0000 | |
| 547 | S | A | 0.0000 | |
| 548 | P | A | 0.0000 | |
| 549 | L | A | -0.4453 | |
| 550 | V | A | 0.0000 | |
| 551 | V | A | 0.0000 | |
| 552 | I | A | 0.0000 | |
| 553 | S | A | 0.0000 | |
| 554 | Q | A | -1.2967 | |
| 555 | G | A | 0.0000 | |
| 556 | K | A | -1.7503 | |
| 557 | I | A | 0.0000 | |
| 558 | V | A | 0.0000 | |
| 559 | L | A | 0.0000 | |
| 560 | E | A | -1.3173 | |
| 561 | D | A | -2.4055 | |
| 562 | G | A | -1.4286 | |
| 563 | T | A | -0.9720 | |
| 564 | L | A | -0.6186 | |
| 565 | H | A | -0.7748 | |
| 566 | V | A | -0.5919 | |
| 567 | T | A | -1.0700 | |
| 568 | E | A | -2.2372 | |
| 569 | G | A | -1.7116 | |
| 570 | S | A | -1.1559 | |
| 571 | G | A | 0.0000 | |
| 572 | R | A | -0.9573 | |
| 573 | Y | A | -0.5140 | |
| 574 | I | A | 0.0000 | |
| 575 | P | A | -1.0215 | |
| 576 | R | A | 0.0000 | |
| 577 | K | A | -2.1975 | |
| 578 | P | A | 0.0000 | |
| 579 | F | A | -0.6452 | |
| 580 | P | A | 0.0000 | |
| 581 | D | A | -2.0563 | |
| 582 | F | A | -0.4963 | |
| 583 | V | A | 0.0000 | |
| 584 | Y | A | 0.0000 | |
| 585 | K | A | -3.1667 | |
| 586 | R | A | -3.2302 | |
| 587 | I | A | 0.0000 | |
| 588 | K | A | -2.7236 | |
| 589 | A | A | -2.0842 | |
| 590 | R | A | -1.9661 | |
| 591 | S | A | -1.8207 | |
| 592 | R | A | -2.0041 | |
| 593 | L | A | -0.0127 | |
| 594 | A | A | -0.6537 | |
| 595 | E | A | -1.6412 | |
| 596 | L | A | 0.0685 | |
| 597 | R | A | -1.3767 | |
| 598 | G | A | -0.6538 | |
| 599 | V | A | 0.5823 | |
| 600 | P | A | -0.6029 | |
| 601 | R | A | -1.1952 | |
| 602 | G | A | -0.4063 | |
| 603 | L | A | 0.9819 | |
| 604 | Y | A | 0.9242 | |
| 605 | D | A | -0.7115 | |
| 606 | G | A | -0.1490 | |
| 607 | P | A | 0.2812 | |
| 608 | V | A | 1.6791 | |
| 609 | C | A | 1.0995 | |
| 610 | E | A | -0.0261 | |
| 611 | V | A | 1.4978 | |
| 612 | S | A | 0.6016 | |
| 613 | V | A | 0.7570 | |
| 614 | D | A | -1.3353 | mutated: TD614A |
| 615 | P | A | -1.1862 | |
| 616 | K | A | -1.7984 | |
| 617 | T | A | -0.9148 | |
| 618 | V | A | 0.3024 | |
| 619 | D | A | -1.2902 | mutated: TD619A |
| 620 | P | A | -0.7008 | |
| 621 | A | A | -0.4364 | |
| 622 | S | A | -0.7258 | |
| 623 | S | A | -0.6672 | |
| 624 | A | A | -0.9293 | |
| 625 | K | A | -2.1747 | |
| 626 | T | A | -1.9040 | |
| 627 | D | A | -2.5070 | mutated: SD627A |
| 628 | P | A | -1.6177 | |
| 629 | A | A | -1.8003 | |
| 630 | K | A | -2.7270 | |
| 631 | Q | A | -2.5912 | |
| 632 | Q | A | -2.2052 | |
| 633 | A | A | -0.7356 | |
| 634 | P | A | -0.5509 | |
| 635 | P | A | -0.3546 | |
| 636 | V | A | 0.5648 | |
| 637 | R | A | -1.5987 | |
| 638 | N | A | -1.6663 | |
| 639 | L | A | -0.2697 | |
| 640 | H | A | -1.5860 | |
| 641 | Q | A | -1.8119 | |
| 642 | S | A | -0.7925 | |
| 643 | G | A | 0.1718 | |
| 644 | F | A | 1.7898 | |
| 645 | S | A | 1.1895 | |
| 646 | L | A | 1.5668 | |
| 647 | S | A | 0.3703 | |
| 648 | G | A | -0.2485 | |
| 649 | A | A | -0.7296 | |
| 650 | Q | A | -0.9789 | |
| 651 | I | A | 0.7918 | |
| 652 | D | A | -0.5102 | |
| 653 | D | A | -1.9615 | |
| 654 | N | A | -1.3237 | |
| 655 | I | A | 0.2145 | |
| 656 | P | A | -1.2922 | |
| 657 | R | A | -2.7540 | |
| 658 | R | A | -2.7523 | |
| 659 | T | A | -1.7432 | |
| 660 | T | A | -1.6142 | |
| 661 | Q | A | -1.6283 | |
| 662 | R | A | -0.9925 | |
| 663 | I | A | 1.6322 | |
| 664 | V | A | 2.0702 | |
| 665 | A | A | 0.9551 | |
| 666 | P | A | 0.1740 | |
| 667 | P | A | -0.7058 | |
| 668 | G | A | -1.2728 | |
| 669 | G | A | -1.7964 | |
| 670 | R | A | -2.2757 | |
| 671 | A | A | -1.0815 | |
| 672 | N | A | -0.8211 | |
| 673 | I | A | 1.2705 | |
| 674 | T | A | 0.7717 | |
| 675 | S | A | 0.7808 | |
| 676 | L | A | 1.4028 | |
| 677 | G | A | 0.2512 |
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 | -0.4053 | 6.2582 | View | CSV | PDB |
| 4.5 | -0.479 | 6.2582 | View | CSV | PDB |
| 5.0 | -0.567 | 6.2582 | View | CSV | PDB |
| 5.5 | -0.654 | 6.2582 | View | CSV | PDB |
| 6.0 | -0.7254 | 6.3524 | View | CSV | PDB |
| 6.5 | -0.7724 | 6.4748 | View | CSV | PDB |
| 7.0 | -0.7955 | 6.6055 | View | CSV | PDB |
| 7.5 | -0.8024 | 6.739 | View | CSV | PDB |
| 8.0 | -0.7992 | 6.8727 | View | CSV | PDB |
| 8.5 | -0.7873 | 7.0045 | View | CSV | PDB |
| 9.0 | -0.7646 | 7.1297 | 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