| Chain sequence(s) |
A: MAERKQSGKAAEDEEVPAFFKNLGSGSPKPRQKFCGMFCPVEGSSENKTIDFDSLSVGRGSGQVVAQQRDVAHLGPDPQPPYSRQGRRAGGEPSVESGRKVEIRRASGKEALQNINDQSDRLLIKGGKIVNDDQSFYADIYMEDGLIKQIGENLIVPGGVKTIEAHSRMVIPGGIDVHTRFQMPDQGMTSADDFFQGTKAALAGGTTMIIDHVVPEPGTSLLAAFDQWREWADSKSCCDYSLHVDISEWHKGIQEEMEALVKDHGVNSFLVYMAFKDRFQLTDCQIYEVLSVIRDIGAIAQVHAENGDIIAEEQQRILDLGITGPEGHVLSRPEEVEAEAVNRAITIANQTNCPLYITKVMSKSSAEVIAQARKKGTVVYGEPITASLGTDGSHYWSKNWAKAAAFVTSPPLSPDPTTPDFLNSLLSCGDLQVTGSAHCTFNTAQKAVGKDNFTLIPEGTNGTEERMSVIWDKAVVTGKMDENQFVAVTSTNAAKVFNLYPRKGRIAVGSDADLVIWDPDSVKTISAKTHNSSLEYNIFEGMECRGSPLVVISQGKIVLEDGTLHVTEGSGRYIPRKPFPDFVYKRIKARSRLAELRGVPRGLYDGPVCEVSVTPKTVTPASSAKTSPAKQQAPPVRNLHQSGFSLSGAQIDDNIPRRTTQRIVAPPGGRANITSLG
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 | SE27A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -0.469322 kcal/mol |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] FoldX: Building mutant model (00:04:41)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:04:53)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/9c4fc3f70da32c6/tmp/folded.pdb (00:04:53)
[INFO] Main: Simulation completed successfully. (00:09:17)
|
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 | mutated: SE27A |
| 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 | 0.3674 | |
| 96 | E | A | -1.5758 | |
| 97 | S | A | -1.4578 | |
| 98 | G | A | -2.1664 | |
| 99 | R | A | -3.4802 | |
| 100 | K | A | -3.2975 | |
| 101 | V | A | -2.4122 | |
| 102 | E | A | -2.8534 | |
| 103 | I | A | -2.0750 | |
| 104 | R | A | -3.0863 | |
| 105 | R | A | -3.0616 | |
| 106 | A | A | -2.2849 | |
| 107 | S | A | -1.6495 | |
| 108 | G | A | -1.5017 | |
| 109 | K | A | -2.3726 | |
| 110 | E | A | -2.3944 | |
| 111 | A | A | -1.0258 | |
| 112 | L | A | 0.1197 | |
| 113 | Q | A | -1.3295 | |
| 114 | N | A | -1.2898 | |
| 115 | I | A | 0.6461 | |
| 116 | N | A | -1.5617 | |
| 117 | D | A | -2.7949 | |
| 118 | Q | A | -2.7212 | |
| 119 | S | A | -2.7612 | |
| 120 | D | A | -3.3488 | |
| 121 | R | A | -2.2486 | |
| 122 | L | A | 0.0000 | |
| 123 | L | A | 0.0000 | |
| 124 | I | A | 0.0000 | |
| 125 | K | A | -1.5069 | |
| 126 | G | A | -1.3666 | |
| 127 | G | A | 0.0000 | |
| 128 | K | A | -0.0521 | |
| 129 | I | A | 0.0000 | |
| 130 | V | A | 0.0000 | |
| 131 | N | A | 0.0000 | |
| 132 | D | A | -2.1999 | |
| 133 | D | A | -2.8151 | |
| 134 | Q | A | -2.1957 | |
| 135 | S | A | -0.6323 | |
| 136 | F | A | 0.9570 | |
| 137 | Y | A | 0.9007 | |
| 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 | -2.2167 | |
| 144 | D | A | -2.8557 | |
| 145 | G | A | 0.0000 | |
| 146 | L | A | -0.8688 | |
| 147 | I | A | 0.0000 | |
| 148 | K | A | -0.9889 | |
| 149 | Q | A | -0.7935 | |
| 150 | I | A | -0.2441 | |
| 151 | G | A | -0.9262 | |
| 152 | E | A | -2.0502 | |
| 153 | N | A | -1.5943 | |
| 154 | L | A | -0.0757 | |
| 155 | I | A | 1.5607 | |
| 156 | V | A | 0.8602 | |
| 157 | P | A | 0.0879 | |
| 158 | G | A | -0.7459 | |
| 159 | G | A | -1.6952 | |
| 160 | V | A | 0.0000 | |
| 161 | K | A | -2.1017 | |
| 162 | T | A | -1.7482 | |
| 163 | I | A | 0.0000 | |
| 164 | E | A | -1.9597 | |
| 165 | A | A | 0.0000 | |
| 166 | H | A | -1.9820 | |
| 167 | S | A | -1.0464 | |
| 168 | R | A | -0.8909 | |
| 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 | -0.2798 | |
| 183 | M | A | 0.0000 | |
| 184 | P | A | -0.7995 | |
| 185 | D | A | -1.1778 | |
| 186 | Q | A | -1.4144 | |
| 187 | G | A | -1.0641 | |
| 188 | M | A | -0.6255 | |
| 189 | T | A | -0.5065 | |
| 190 | S | A | 0.0000 | |
| 191 | A | A | -0.2562 | |
| 192 | D | A | 0.0000 | |
| 193 | D | A | -0.4601 | |
| 194 | F | A | 0.0000 | |
| 195 | F | A | -0.6931 | |
| 196 | Q | A | -0.6667 | |
| 197 | G | A | 0.0000 | |
| 198 | T | A | 0.0000 | |
| 199 | K | A | -0.6775 | |
| 200 | A | A | 0.0000 | |
| 201 | A | A | 0.0000 | |
| 202 | L | A | 0.0000 | |
| 203 | A | A | -0.2469 | |
| 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 | -0.3110 | |
| 215 | P | A | 0.0000 | |
| 216 | E | A | -2.2378 | |
| 217 | P | A | -1.7443 | |
| 218 | G | A | -1.2515 | |
| 219 | T | A | -0.9464 | |
| 220 | S | A | -0.3800 | |
| 221 | L | A | 0.0000 | |
| 222 | L | A | -0.2688 | |
| 223 | A | A | -0.6168 | |
| 224 | A | A | 0.0000 | |
| 225 | F | A | 0.0000 | |
| 226 | D | A | -2.5042 | |
| 227 | Q | A | -1.9499 | |
| 228 | W | A | 0.0000 | |
| 229 | R | A | -2.3408 | |
| 230 | E | A | -2.9648 | |
| 231 | W | A | -1.6472 | |
| 232 | A | A | 0.0000 | |
| 233 | D | A | -2.2690 | |
| 234 | S | A | -1.9231 | |
| 235 | K | A | -1.9091 | |
| 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 | -2.1851 | |
| 249 | W | A | 0.0000 | |
| 250 | H | A | -2.3595 | |
| 251 | K | A | -2.8300 | |
| 252 | G | A | -2.1014 | |
| 253 | I | A | -1.8334 | |
| 254 | Q | A | -2.1842 | |
| 255 | E | A | -2.6795 | |
| 256 | E | A | -1.6445 | |
| 257 | M | A | 0.0000 | |
| 258 | E | A | -2.4726 | |
| 259 | A | A | -2.1249 | |
| 260 | L | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | K | A | -3.1511 | |
| 263 | D | A | -3.0419 | |
| 264 | H | A | -2.0187 | |
| 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 | -1.2005 | |
| 276 | K | A | -2.4345 | |
| 277 | D | A | -3.0413 | |
| 278 | R | A | -2.5768 | |
| 279 | F | A | 0.0000 | |
| 280 | Q | A | -1.9305 | |
| 281 | L | A | 0.0000 | |
| 282 | T | A | -1.1248 | |
| 283 | D | A | -1.6755 | |
| 284 | C | A | -0.3850 | |
| 285 | Q | A | -1.2716 | |
| 286 | I | A | 0.0000 | |
| 287 | Y | A | -0.6808 | |
| 288 | E | A | -1.3332 | |
| 289 | V | A | 0.0000 | |
| 290 | L | A | 0.0000 | |
| 291 | S | A | -0.9913 | |
| 292 | V | A | -1.0952 | |
| 293 | I | A | 0.0000 | |
| 294 | R | A | -1.1604 | |
| 295 | D | A | -1.9484 | |
| 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 | -0.8588 | |
| 307 | G | A | 0.0000 | |
| 308 | D | A | -1.9723 | |
| 309 | I | A | -0.6283 | |
| 310 | I | A | 0.0000 | |
| 311 | A | A | -2.0618 | |
| 312 | E | A | -2.7814 | |
| 313 | E | A | -2.1339 | |
| 314 | Q | A | -1.7779 | |
| 315 | Q | A | -2.7143 | |
| 316 | R | A | -2.5543 | |
| 317 | I | A | 0.0000 | |
| 318 | L | A | -1.1398 | |
| 319 | D | A | -1.7329 | |
| 320 | L | A | 0.2821 | |
| 321 | G | A | -0.3379 | |
| 322 | I | A | 0.0565 | |
| 323 | T | A | -0.8806 | |
| 324 | G | A | -0.9920 | |
| 325 | P | A | 0.0000 | |
| 326 | E | A | -0.0451 | |
| 327 | G | A | 0.0000 | |
| 328 | H | A | 0.0000 | |
| 329 | V | A | 0.0000 | |
| 330 | L | A | 0.4336 | |
| 331 | S | A | 0.0000 | |
| 332 | R | A | 0.0000 | |
| 333 | P | A | -0.7498 | |
| 334 | E | A | -1.5634 | |
| 335 | E | A | -2.3919 | |
| 336 | V | A | 0.0000 | |
| 337 | E | A | 0.0000 | |
| 338 | A | A | -1.8556 | |
| 339 | E | A | -1.8755 | |
| 340 | A | A | 0.0000 | |
| 341 | V | A | 0.0000 | |
| 342 | N | A | -1.8164 | |
| 343 | R | A | -1.6371 | |
| 344 | A | A | 0.0000 | |
| 345 | I | A | 0.0000 | |
| 346 | T | A | -1.2218 | |
| 347 | I | A | 0.0000 | |
| 348 | A | A | 0.0000 | |
| 349 | N | A | -1.8986 | |
| 350 | Q | A | -1.8037 | |
| 351 | T | A | 0.0000 | |
| 352 | N | A | -1.7449 | |
| 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 | -1.3642 | |
| 364 | S | A | -1.4534 | |
| 365 | S | A | 0.0000 | |
| 366 | A | A | 0.0000 | |
| 367 | E | A | -2.2413 | |
| 368 | V | A | -1.6935 | |
| 369 | I | A | 0.0000 | |
| 370 | A | A | 0.0000 | |
| 371 | Q | A | -2.7310 | |
| 372 | A | A | 0.0000 | |
| 373 | R | A | -2.5081 | |
| 374 | K | A | -3.1836 | |
| 375 | K | A | -3.0270 | |
| 376 | G | A | -2.2474 | |
| 377 | T | A | -1.7126 | |
| 378 | V | A | -0.9559 | |
| 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 | -0.6434 | |
| 392 | G | A | 0.0000 | |
| 393 | S | A | -0.5113 | |
| 394 | H | A | -0.7724 | |
| 395 | Y | A | 0.0000 | |
| 396 | W | A | -0.3279 | |
| 397 | S | A | -1.2229 | |
| 398 | K | A | -2.1386 | |
| 399 | N | A | -1.8987 | |
| 400 | W | A | -1.2946 | |
| 401 | A | A | -0.9893 | |
| 402 | K | A | -1.2139 | |
| 403 | A | A | 0.0000 | |
| 404 | A | A | 0.0000 | |
| 405 | A | A | -0.4411 | |
| 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 | -0.6990 | |
| 415 | D | A | -1.0728 | |
| 416 | P | A | -1.0210 | |
| 417 | T | A | -0.9986 | |
| 418 | T | A | 0.0000 | |
| 419 | P | A | 0.0000 | |
| 420 | D | A | -1.8690 | |
| 421 | F | A | -0.8039 | |
| 422 | L | A | 0.0000 | |
| 423 | N | A | 0.0000 | |
| 424 | S | A | -0.4131 | |
| 425 | L | A | -0.3008 | |
| 426 | L | A | 0.0000 | |
| 427 | S | A | -0.2463 | |
| 428 | C | A | 0.4346 | |
| 429 | G | A | -0.0604 | |
| 430 | D | A | -0.7981 | |
| 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 | -0.6792 | |
| 443 | T | A | -0.3919 | |
| 444 | A | A | -0.0543 | |
| 445 | Q | A | 0.0150 | |
| 446 | K | A | 0.0000 | |
| 447 | A | A | -0.2806 | |
| 448 | V | A | 0.5669 | |
| 449 | G | A | 0.0000 | |
| 450 | K | A | -2.1542 | |
| 451 | D | A | -2.4597 | |
| 452 | N | A | -1.3583 | |
| 453 | F | A | 0.0000 | |
| 454 | T | A | -0.2975 | |
| 455 | L | A | 0.1206 | |
| 456 | I | A | 0.0000 | |
| 457 | P | A | 0.0000 | |
| 458 | E | A | -0.3651 | |
| 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 | -0.3438 | |
| 465 | E | A | 0.0000 | |
| 466 | R | A | 0.0000 | |
| 467 | M | A | 0.0000 | |
| 468 | S | A | -0.5233 | |
| 469 | V | A | 0.0000 | |
| 470 | I | A | 0.0000 | |
| 471 | W | A | 0.0000 | |
| 472 | D | A | 0.0000 | |
| 473 | K | A | -0.7801 | |
| 474 | A | A | 0.0000 | |
| 475 | V | A | -0.5736 | |
| 476 | V | A | -0.0756 | |
| 477 | T | A | -0.4596 | |
| 478 | G | A | -0.8807 | |
| 479 | K | A | -1.2221 | |
| 480 | M | A | 0.0000 | |
| 481 | D | A | -2.0011 | |
| 482 | E | A | -1.6473 | |
| 483 | N | A | -2.0342 | |
| 484 | Q | A | -1.7505 | |
| 485 | F | A | 0.0000 | |
| 486 | V | A | 0.0000 | |
| 487 | A | A | -1.0373 | |
| 488 | V | A | 0.0000 | |
| 489 | T | A | 0.0000 | |
| 490 | S | A | 0.0000 | |
| 491 | T | A | 0.0000 | |
| 492 | N | A | -0.2210 | |
| 493 | A | A | 0.0000 | |
| 494 | A | A | 0.0000 | |
| 495 | K | A | -0.5392 | |
| 496 | V | A | 0.0000 | |
| 497 | F | A | 0.0000 | |
| 498 | N | A | -1.1163 | |
| 499 | L | A | 0.0000 | |
| 500 | Y | A | -0.5222 | |
| 501 | P | A | -0.7003 | |
| 502 | R | A | -1.3817 | |
| 503 | K | A | 0.0000 | |
| 504 | G | A | 0.0000 | |
| 505 | R | A | -0.6959 | |
| 506 | I | A | 0.0000 | |
| 507 | A | A | 0.2427 | |
| 508 | V | A | 0.9167 | |
| 509 | G | A | -0.1686 | |
| 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 | -0.8183 | |
| 520 | D | A | -1.7465 | |
| 521 | S | A | -0.7266 | |
| 522 | V | A | -0.2609 | |
| 523 | K | A | -1.7273 | |
| 524 | T | A | -1.6488 | |
| 525 | I | A | -1.4183 | |
| 526 | S | A | 0.0000 | |
| 527 | A | A | -1.6226 | |
| 528 | K | A | -2.1929 | |
| 529 | T | A | -0.9763 | |
| 530 | H | A | -0.8826 | |
| 531 | N | A | -0.7199 | |
| 532 | S | A | -0.7994 | |
| 533 | S | A | -0.8122 | |
| 534 | L | A | -0.9752 | |
| 535 | E | A | -1.9002 | |
| 536 | Y | A | -1.0635 | |
| 537 | N | A | 0.0000 | |
| 538 | I | A | 0.0000 | |
| 539 | F | A | 0.0000 | |
| 540 | E | A | -2.0564 | |
| 541 | G | A | -1.7695 | |
| 542 | M | A | -1.7402 | |
| 543 | E | A | -2.3305 | |
| 544 | C | A | 0.0000 | |
| 545 | R | A | -1.3781 | |
| 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 | -1.2885 | |
| 555 | G | A | 0.0000 | |
| 556 | K | A | -1.7644 | |
| 557 | I | A | 0.0000 | |
| 558 | V | A | 0.0000 | |
| 559 | L | A | 0.0000 | |
| 560 | E | A | -1.3169 | |
| 561 | D | A | -2.4022 | |
| 562 | G | A | -1.4286 | |
| 563 | T | A | -0.9720 | |
| 564 | L | A | -0.6196 | |
| 565 | H | A | -0.7777 | |
| 566 | V | A | -0.5933 | |
| 567 | T | A | -1.0690 | |
| 568 | E | A | -2.2388 | |
| 569 | G | A | -1.7171 | |
| 570 | S | A | -1.1502 | |
| 571 | G | A | 0.0000 | |
| 572 | R | A | -0.9455 | |
| 573 | Y | A | -0.5130 | |
| 574 | I | A | 0.0000 | |
| 575 | P | A | -1.0196 | |
| 576 | R | A | 0.0000 | |
| 577 | K | A | -2.1966 | |
| 578 | P | A | 0.0000 | |
| 579 | F | A | -0.6404 | |
| 580 | P | A | 0.0000 | |
| 581 | D | A | -2.0504 | |
| 582 | F | A | -0.4844 | |
| 583 | V | A | 0.0000 | |
| 584 | Y | A | 0.0000 | |
| 585 | K | A | -3.1644 | |
| 586 | R | A | -3.2290 | |
| 587 | I | A | 0.0000 | |
| 588 | K | A | -2.7261 | |
| 589 | A | A | -2.0840 | |
| 590 | R | A | -1.9627 | |
| 591 | S | A | -1.8170 | |
| 592 | R | A | -2.0025 | |
| 593 | L | A | -0.0112 | |
| 594 | A | A | -0.6515 | |
| 595 | E | A | -1.6401 | |
| 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 | 0.9823 | |
| 604 | Y | A | 0.9252 | |
| 605 | D | A | -0.7099 | |
| 606 | G | A | -0.1457 | |
| 607 | P | A | 0.2828 | |
| 608 | V | A | 1.6798 | |
| 609 | C | A | 1.0995 | |
| 610 | E | A | -0.0261 | |
| 611 | V | A | 1.7214 | |
| 612 | S | A | 1.0781 | |
| 613 | V | A | 1.5921 | |
| 614 | T | A | 0.3832 | |
| 615 | P | A | -0.3558 | |
| 616 | K | A | -1.1401 | |
| 617 | T | A | -0.1711 | |
| 618 | V | A | 1.1358 | |
| 619 | T | A | 0.4283 | |
| 620 | P | A | 0.1273 | |
| 621 | A | A | -0.0198 | |
| 622 | S | A | -0.5175 | |
| 623 | S | A | -0.6672 | |
| 624 | A | A | -0.9293 | |
| 625 | K | A | -1.8226 | |
| 626 | T | A | -1.1551 | |
| 627 | S | A | -0.9305 | |
| 628 | P | A | -0.7233 | |
| 629 | A | A | -1.4517 | |
| 630 | K | A | -2.5670 | |
| 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 | -0.4132 | 6.2582 | View | CSV | PDB |
| 4.5 | -0.4834 | 6.2582 | View | CSV | PDB |
| 5.0 | -0.5671 | 6.2582 | View | CSV | PDB |
| 5.5 | -0.6494 | 6.2582 | View | CSV | PDB |
| 6.0 | -0.7162 | 6.3547 | View | CSV | PDB |
| 6.5 | -0.7588 | 6.4773 | View | CSV | PDB |
| 7.0 | -0.7776 | 6.6082 | View | CSV | PDB |
| 7.5 | -0.7799 | 6.7417 | View | CSV | PDB |
| 8.0 | -0.7723 | 6.8754 | View | CSV | PDB |
| 8.5 | -0.756 | 7.0071 | View | CSV | PDB |
| 9.0 | -0.7298 | 7.1321 | 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