| Chain sequence(s) |
A: RTTSQWRELDAAHHLHPFTDTASLNQAGARVMTRGEGVYLWDSEGNKIIDGMAGLWCVNVGYGRKDFAEAARRQMEELPFYNTFFKTTHPAVVELSSLLAVTPAGFDRVFYTNSGSESVDTMIRMVRRYWDVQGKPEKKTLIGRWNGYHGSTIGGASLGGMKYMHEQGDLPIPGMAHIEQPWWYKHGKDMTPDEFGVVAARWLEEKILEIGADKVAAFVGEPIQGAGGVIVPPATYWPEIERICRKYDVLLVADEVICGFGRTGEWFGHQHFGFQPDLFTAAKGLSSGYLPIGAVFVGKRVAEGLIAGGDFNHGFTYSGHPVCAAVAHANVAALRDEGIVQRVKDDIGPYMQKRWRETFSRFEHVDDVRGVGMVQAFTLVKNKAKRELFPDFGEIGTLCRDIFFRNNLIMRACGDHIVSAPPLVMTRAEVDEMLAVAERCLEEFEQTLKARGL
B: RTTSQWRELDAAHHLHPFTDTASLNQAGARVMTRGEGVYLWDSEGNKIIDGMAGLWCVNVGYGRKDFAEAARRQMEELPFYNTFFKTTHPAVVELSSLLAEVTPAGFDRVFYTNSGSESVDTMIRMVRRYWDVQGKPEKKTLIGRWNGYHGSTIGGASLGGMKYMHEQGDLPIPGMAHIEQPWWYKHGKDMTPDEFGVVAARWLEEKILEIGADKVAAFVGEPIQGAGGVIVPPATYWPEIERICRKYDVLLVADEVICGFGRTGEWFGHQHFGFQPDLFTAAKGLSSGYLPIGAVFVGKRVAEGLIAGGDFNHGFTYSGHPVCAAVAHANVAALRDEGIVQRVKDDIGPYMQKRWRETFSRFEHVDDVRGVGMVQAFTLVKNKAKRELFPDFGEIGTLCRDIFFRNNLIMRACGDHIVSAPPLVMTRAEVDEMLAVAERCLEEFEQTLKARGL input PDB |
| Selected Chain(s) | A,B |
| 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] (00:00:01)
[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 all 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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:12:12)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c247761fa26f5e2/tmp/folded.pdb (00:12:12)
[INFO] Main: Simulation completed successfully. (00:17:07)
|
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 |
|---|---|---|---|---|
| 5 | R | A | -2.0865 | |
| 6 | T | A | -1.8111 | |
| 7 | T | A | -1.6860 | |
| 8 | S | A | -1.6057 | |
| 9 | Q | A | -2.1349 | |
| 10 | W | A | -1.7161 | |
| 11 | R | A | -2.1005 | |
| 12 | E | A | -2.4210 | |
| 13 | L | A | -1.1048 | |
| 14 | D | A | 0.0000 | |
| 15 | A | A | -1.1629 | |
| 16 | A | A | -0.9755 | |
| 17 | H | A | -1.0088 | |
| 18 | H | A | 0.0000 | |
| 19 | L | A | 0.0000 | |
| 20 | H | A | 0.0000 | |
| 21 | P | A | 0.0000 | |
| 22 | F | A | -0.0927 | |
| 23 | T | A | 0.0000 | |
| 24 | D | A | -1.1279 | |
| 25 | T | A | 0.0000 | |
| 26 | A | A | -0.8609 | |
| 27 | S | A | -0.9715 | |
| 28 | L | A | 0.0000 | |
| 29 | N | A | -1.5300 | |
| 30 | Q | A | -1.4806 | |
| 31 | A | A | -0.9199 | |
| 32 | G | A | -1.3186 | |
| 33 | A | A | 0.0000 | |
| 34 | R | A | -0.8167 | |
| 35 | V | A | 0.0000 | |
| 36 | M | A | 0.0000 | |
| 37 | T | A | -1.2361 | |
| 38 | R | A | -2.4649 | |
| 39 | G | A | 0.0000 | |
| 40 | E | A | -2.4992 | |
| 41 | G | A | -0.9544 | |
| 42 | V | A | 0.0000 | |
| 43 | Y | A | -1.0194 | |
| 44 | L | A | 0.0000 | |
| 45 | W | A | -1.6153 | |
| 46 | D | A | 0.0000 | |
| 47 | S | A | -1.5642 | |
| 48 | E | A | -2.3571 | |
| 49 | G | A | -1.9458 | |
| 50 | N | A | -1.7955 | |
| 51 | K | A | -1.9739 | |
| 52 | I | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | D | A | 0.0000 | |
| 55 | G | A | 0.0000 | |
| 56 | M | A | 0.0000 | |
| 57 | A | A | 0.0000 | |
| 58 | G | A | 0.0000 | |
| 59 | L | A | 0.0000 | |
| 60 | W | A | 0.0000 | |
| 61 | C | A | 0.0000 | |
| 62 | V | A | 0.0000 | |
| 63 | N | A | 0.0000 | |
| 64 | V | A | 0.0000 | |
| 65 | G | A | 0.0000 | |
| 66 | Y | A | 0.0000 | |
| 67 | G | A | -2.3296 | |
| 68 | R | A | -2.3603 | |
| 69 | K | A | -3.4831 | |
| 70 | D | A | -3.0214 | |
| 71 | F | A | 0.0000 | |
| 72 | A | A | 0.0000 | |
| 73 | E | A | -2.6650 | |
| 74 | A | A | -1.8060 | |
| 75 | A | A | 0.0000 | |
| 76 | R | A | -2.9984 | |
| 77 | R | A | -3.1918 | |
| 78 | Q | A | -2.2096 | |
| 79 | M | A | 0.0000 | |
| 80 | E | A | -3.5059 | |
| 81 | E | A | -3.6155 | |
| 82 | L | A | 0.0000 | |
| 83 | P | A | 0.0000 | |
| 84 | F | A | 0.0000 | |
| 85 | Y | A | 0.0000 | |
| 86 | N | A | 0.0000 | |
| 87 | T | A | 0.0000 | |
| 88 | F | A | 0.0293 | |
| 89 | F | A | 0.0000 | |
| 90 | K | A | -0.9625 | |
| 91 | T | A | 0.0000 | |
| 92 | T | A | 0.0000 | |
| 93 | H | A | 0.0000 | |
| 94 | P | A | -0.5248 | |
| 95 | A | A | -0.1828 | |
| 96 | V | A | 0.0000 | |
| 97 | V | A | 0.0000 | |
| 98 | E | A | -0.4132 | |
| 99 | L | A | 0.0000 | |
| 100 | S | A | 0.0000 | |
| 101 | S | A | -0.2443 | |
| 102 | L | A | 0.1019 | |
| 103 | L | A | 0.0000 | |
| 104 | A | A | -0.4782 | |
| 106 | V | A | 0.1719 | |
| 107 | T | A | 0.0000 | |
| 108 | P | A | -0.3711 | |
| 109 | A | A | -0.5234 | |
| 110 | G | A | -1.5447 | |
| 111 | F | A | 0.0000 | |
| 112 | D | A | -2.1528 | |
| 113 | R | A | -1.5012 | |
| 114 | V | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | Y | A | 0.0000 | |
| 117 | T | A | 0.0000 | |
| 118 | N | A | 0.0000 | |
| 119 | S | A | 0.0000 | |
| 120 | G | A | -0.0321 | |
| 121 | S | A | 0.0000 | |
| 122 | E | A | 0.0000 | |
| 123 | S | A | 0.0000 | |
| 124 | V | A | 0.0000 | |
| 125 | D | A | 0.0000 | |
| 126 | T | A | 0.0000 | |
| 127 | M | A | 0.0000 | |
| 128 | I | A | 0.0000 | |
| 129 | R | A | 0.0000 | |
| 130 | M | A | 0.0000 | |
| 131 | V | A | 0.0000 | |
| 132 | R | A | 0.0000 | |
| 133 | R | A | -1.1424 | |
| 134 | Y | A | 0.0000 | |
| 135 | W | A | 0.0000 | |
| 136 | D | A | -1.9935 | |
| 137 | V | A | -0.5042 | |
| 138 | Q | A | -1.0007 | |
| 139 | G | A | -1.5415 | |
| 140 | K | A | -2.6822 | |
| 141 | P | A | -2.6715 | |
| 142 | E | A | -3.3867 | |
| 143 | K | A | 0.0000 | |
| 144 | K | A | -2.0500 | |
| 145 | T | A | -1.0086 | |
| 146 | L | A | 0.0000 | |
| 147 | I | A | 0.0000 | |
| 148 | G | A | 0.0000 | |
| 149 | R | A | 0.0000 | |
| 150 | W | A | -0.2711 | |
| 151 | N | A | -0.4241 | |
| 152 | G | A | 0.0000 | |
| 153 | Y | A | 0.2057 | |
| 154 | H | A | 0.0000 | |
| 155 | G | A | 0.0000 | |
| 156 | S | A | 0.0000 | |
| 157 | T | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | G | A | 0.0000 | |
| 160 | G | A | 0.0000 | |
| 161 | A | A | 0.0000 | |
| 162 | S | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | G | A | 0.0000 | |
| 165 | G | A | 0.0000 | |
| 166 | M | A | 0.0000 | |
| 167 | K | A | -1.6922 | |
| 168 | Y | A | -0.5553 | |
| 169 | M | A | 0.0000 | |
| 170 | H | A | 0.0000 | |
| 171 | E | A | -2.5459 | |
| 172 | Q | A | 0.0000 | |
| 173 | G | A | 0.0000 | |
| 174 | D | A | -2.6526 | |
| 175 | L | A | -1.5196 | |
| 176 | P | A | -0.9672 | |
| 177 | I | A | 0.0000 | |
| 178 | P | A | -0.5664 | |
| 179 | G | A | -0.8897 | |
| 180 | M | A | -0.0681 | |
| 181 | A | A | 0.0118 | |
| 182 | H | A | 0.0000 | |
| 183 | I | A | 0.0000 | |
| 184 | E | A | -0.5763 | |
| 185 | Q | A | 0.0000 | |
| 186 | P | A | 0.0000 | |
| 187 | W | A | 0.0000 | |
| 188 | W | A | -1.0629 | |
| 189 | Y | A | 0.0000 | |
| 190 | K | A | -2.2857 | |
| 191 | H | A | -1.7201 | |
| 192 | G | A | 0.0000 | |
| 193 | K | A | -2.9242 | |
| 194 | D | A | -2.6890 | |
| 195 | M | A | -1.8615 | |
| 196 | T | A | -1.6686 | |
| 197 | P | A | -1.5598 | |
| 198 | D | A | -2.1696 | |
| 199 | E | A | -1.9040 | |
| 200 | F | A | 0.0000 | |
| 201 | G | A | 0.0000 | |
| 202 | V | A | -0.1011 | |
| 203 | V | A | 0.2213 | |
| 204 | A | A | 0.0000 | |
| 205 | A | A | 0.0000 | |
| 206 | R | A | -1.2346 | |
| 207 | W | A | -0.9267 | |
| 208 | L | A | 0.0000 | |
| 209 | E | A | 0.0000 | |
| 210 | E | A | -2.1323 | |
| 211 | K | A | -1.4045 | |
| 212 | I | A | 0.0000 | |
| 213 | L | A | -0.2889 | |
| 214 | E | A | -1.5195 | |
| 215 | I | A | -1.0023 | |
| 216 | G | A | -1.1499 | |
| 217 | A | A | -1.7821 | |
| 218 | D | A | -3.0782 | |
| 219 | K | A | -2.9457 | |
| 220 | V | A | 0.0000 | |
| 221 | A | A | 0.0000 | |
| 222 | A | A | 0.0000 | |
| 223 | F | A | 0.0000 | |
| 224 | V | A | 0.0000 | |
| 225 | G | A | 0.0000 | |
| 226 | E | A | 0.0000 | |
| 227 | P | A | 0.0000 | |
| 228 | I | A | 0.0000 | |
| 229 | Q | A | 0.0000 | |
| 230 | G | A | 0.0000 | |
| 231 | A | A | 0.0043 | |
| 232 | G | A | 0.0000 | |
| 233 | G | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | I | A | 0.0000 | |
| 236 | V | A | 0.5689 | |
| 237 | P | A | 0.0000 | |
| 238 | P | A | -0.5146 | |
| 239 | A | A | -0.5423 | |
| 240 | T | A | -0.6439 | |
| 241 | Y | A | 0.0000 | |
| 242 | W | A | 0.0000 | |
| 243 | P | A | -0.8209 | |
| 244 | E | A | -0.9451 | |
| 245 | I | A | 0.0000 | |
| 246 | E | A | -1.9703 | |
| 247 | R | A | -2.6180 | |
| 248 | I | A | 0.0000 | |
| 249 | C | A | 0.0000 | |
| 250 | R | A | -3.3239 | |
| 251 | K | A | -3.1451 | |
| 252 | Y | A | -2.0422 | |
| 252A | D | A | -2.4920 | |
| 254 | V | A | 0.0000 | |
| 255 | L | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | V | A | 0.0000 | |
| 258 | A | A | 0.0000 | |
| 259 | D | A | 0.0000 | |
| 260 | E | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | I | A | 0.2098 | |
| 263 | C | A | 0.0000 | |
| 264 | G | A | 0.0000 | |
| 265 | F | A | 0.0000 | |
| 266 | G | A | 0.0000 | |
| 267 | R | A | 0.0000 | |
| 268 | T | A | 0.0000 | |
| 269 | G | A | 0.0000 | |
| 270 | E | A | -1.4921 | |
| 271 | W | A | -0.8471 | |
| 272 | F | A | 0.0000 | |
| 273 | G | A | 0.0000 | |
| 274 | H | A | 0.0000 | |
| 275 | Q | A | -1.1561 | |
| 276 | H | A | -0.9602 | |
| 277 | F | A | -0.6595 | |
| 278 | G | A | -1.0182 | |
| 279 | F | A | 0.0000 | |
| 280 | Q | A | -1.4665 | |
| 281 | P | A | 0.0000 | |
| 282 | D | A | -1.1420 | |
| 283 | L | A | 0.0000 | |
| 284 | F | A | 0.0000 | |
| 285 | T | A | 0.0000 | |
| 286 | A | A | 0.0000 | |
| 287 | A | A | 0.0000 | |
| 288 | K | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | L | A | 0.0000 | |
| 291 | S | A | 0.0000 | |
| 292 | S | A | 0.0000 | |
| 293 | G | A | 0.0000 | |
| 294 | Y | A | 0.0000 | |
| 295 | L | A | 0.0000 | |
| 296 | P | A | 0.0000 | |
| 297 | I | A | 0.0000 | |
| 298 | G | A | 0.0000 | |
| 299 | A | A | 0.0000 | |
| 300 | V | A | 0.0000 | |
| 301 | F | A | 0.0000 | |
| 302 | V | A | 0.0000 | |
| 303 | G | A | 0.0000 | |
| 304 | K | A | -3.5604 | |
| 305 | R | A | -3.3209 | |
| 306 | V | A | 0.0000 | |
| 307 | A | A | 0.0000 | |
| 308 | E | A | -2.7475 | |
| 309 | G | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | I | A | -0.6073 | |
| 312 | A | A | -0.5295 | |
| 313 | G | A | -0.6910 | |
| 314 | G | A | -0.7660 | |
| 315 | D | A | -1.3420 | |
| 316 | F | A | 0.0000 | |
| 317 | N | A | 0.0000 | |
| 318 | H | A | 0.0000 | |
| 319 | G | A | 0.0000 | |
| 320 | F | A | 0.0000 | |
| 321 | T | A | 0.0158 | |
| 322 | Y | A | 0.0000 | |
| 323 | S | A | 0.0000 | |
| 324 | G | A | 0.0000 | |
| 325 | H | A | 0.0000 | |
| 326 | P | A | 0.0000 | |
| 327 | V | A | 0.0000 | |
| 328 | C | A | 0.0000 | |
| 329 | A | A | 0.0000 | |
| 330 | A | A | -0.4685 | |
| 331 | V | A | 0.0000 | |
| 332 | A | A | 0.0000 | |
| 333 | H | A | -0.3463 | |
| 334 | A | A | -0.4208 | |
| 335 | N | A | 0.0000 | |
| 336 | V | A | 0.0000 | |
| 337 | A | A | -1.4561 | |
| 338 | A | A | 0.0000 | |
| 339 | L | A | 0.0000 | |
| 340 | R | A | -3.3129 | |
| 341 | D | A | -3.6791 | |
| 342 | E | A | -3.5153 | |
| 343 | G | A | -2.6792 | |
| 344 | I | A | 0.0000 | |
| 345 | V | A | 0.0000 | |
| 346 | Q | A | -3.4772 | |
| 347 | R | A | -2.6084 | |
| 348 | V | A | 0.0000 | |
| 349 | K | A | -3.4058 | |
| 350 | D | A | -3.3644 | |
| 351 | D | A | -2.4034 | |
| 352 | I | A | 0.0000 | |
| 353 | G | A | 0.0000 | |
| 354 | P | A | -1.5759 | |
| 355 | Y | A | -1.6456 | |
| 356 | M | A | 0.0000 | |
| 357 | Q | A | -1.5744 | |
| 358 | K | A | -2.8718 | |
| 359 | R | A | -2.9456 | |
| 360 | W | A | 0.0000 | |
| 361 | R | A | -2.7693 | |
| 362 | E | A | -3.3272 | |
| 363 | T | A | -2.2544 | |
| 364 | F | A | 0.0000 | |
| 365 | S | A | -2.1585 | |
| 366 | R | A | -2.8192 | |
| 367 | F | A | 0.0000 | |
| 368 | E | A | -2.6738 | |
| 369 | H | A | 0.0000 | |
| 370 | V | A | 0.0000 | |
| 371 | D | A | -1.3656 | |
| 372 | D | A | -0.6652 | |
| 373 | V | A | -0.4713 | |
| 374 | R | A | 0.0000 | |
| 375 | G | A | -0.1288 | |
| 376 | V | A | -0.2307 | |
| 377 | G | A | 0.0000 | |
| 378 | M | A | 0.0000 | |
| 379 | V | A | 0.0000 | |
| 380 | Q | A | 0.0000 | |
| 381 | A | A | 0.0000 | |
| 382 | F | A | 0.0000 | |
| 383 | T | A | 0.0000 | |
| 384 | L | A | 0.0000 | |
| 385 | V | A | 0.0000 | |
| 386 | K | A | -1.9315 | |
| 387 | N | A | -2.5695 | |
| 388 | K | A | -2.5197 | |
| 389 | A | A | -1.9428 | |
| 390 | K | A | -2.8157 | |
| 391 | R | A | -3.0297 | |
| 392 | E | A | -2.9242 | |
| 393 | L | A | -1.6884 | |
| 394 | F | A | 0.0000 | |
| 395 | P | A | -1.3743 | |
| 396 | D | A | -2.0331 | |
| 397 | F | A | -0.6843 | |
| 398 | G | A | -1.1443 | |
| 399 | E | A | -2.1947 | |
| 400 | I | A | 0.0000 | |
| 401 | G | A | 0.0000 | |
| 402 | T | A | -0.8945 | |
| 403 | L | A | -0.6136 | |
| 404 | C | A | 0.0000 | |
| 405 | R | A | -1.1322 | |
| 406 | D | A | -1.4762 | |
| 407 | I | A | 0.0000 | |
| 408 | F | A | 0.0000 | |
| 409 | F | A | -1.3152 | |
| 410 | R | A | -2.2782 | |
| 411 | N | A | -1.8293 | |
| 412 | N | A | -1.3561 | |
| 413 | L | A | 0.0000 | |
| 414 | I | A | 0.0000 | |
| 415 | M | A | 0.0000 | |
| 416 | R | A | -0.4947 | |
| 417 | A | A | -0.5583 | |
| 418 | C | A | -0.0548 | |
| 419 | G | A | -0.5731 | |
| 420 | D | A | 0.0000 | |
| 421 | H | A | 0.0000 | |
| 422 | I | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | S | A | 0.0000 | |
| 425 | A | A | 0.0000 | |
| 426 | P | A | 0.0000 | |
| 427 | P | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | V | A | 0.2155 | |
| 430 | M | A | 0.0000 | |
| 431 | T | A | -0.8514 | |
| 432 | R | A | -1.7202 | |
| 433 | A | A | -1.1938 | |
| 434 | E | A | -1.1622 | |
| 435 | V | A | 0.0000 | |
| 436 | D | A | -1.6735 | |
| 437 | E | A | -1.4275 | |
| 438 | M | A | 0.0000 | |
| 439 | L | A | 0.0000 | |
| 440 | A | A | -1.0508 | |
| 441 | V | A | -1.0037 | |
| 442 | A | A | 0.0000 | |
| 443 | E | A | -1.9748 | |
| 444 | R | A | -2.9258 | |
| 445 | C | A | 0.0000 | |
| 446 | L | A | 0.0000 | |
| 447 | E | A | -3.0497 | |
| 448 | E | A | -3.2309 | |
| 449 | F | A | 0.0000 | |
| 450 | E | A | -2.4919 | |
| 451 | Q | A | -2.9285 | |
| 452 | T | A | -2.1715 | |
| 453 | L | A | 0.0000 | |
| 454 | K | A | -2.6319 | |
| 455 | A | A | -2.0221 | |
| 456 | R | A | -2.4808 | |
| 457 | G | A | -1.6273 | |
| 458 | L | A | -0.6372 | |
| 5 | R | B | -2.2609 | |
| 6 | T | B | -1.8983 | |
| 7 | T | B | -1.7874 | |
| 8 | S | B | -1.7132 | |
| 9 | Q | B | -2.4181 | |
| 10 | W | B | -1.8615 | |
| 11 | R | B | -2.3494 | |
| 12 | E | B | -2.5602 | |
| 13 | L | B | -1.2182 | |
| 14 | D | B | 0.0000 | |
| 15 | A | B | -1.1587 | |
| 16 | A | B | -0.9278 | |
| 17 | H | B | -0.9211 | |
| 18 | H | B | 0.0000 | |
| 19 | L | B | 0.0000 | |
| 20 | H | B | 0.0000 | |
| 21 | P | B | 0.0000 | |
| 22 | F | B | -0.1711 | |
| 23 | T | B | -0.6931 | |
| 24 | D | B | -1.2153 | |
| 25 | T | B | -0.8074 | |
| 26 | A | B | -0.8739 | |
| 27 | S | B | -1.0009 | |
| 28 | L | B | 0.0000 | |
| 29 | N | B | -1.5107 | |
| 30 | Q | B | -1.6619 | |
| 31 | A | B | -0.9334 | |
| 32 | G | B | -1.3218 | |
| 33 | A | B | 0.0000 | |
| 34 | R | B | -0.9172 | |
| 35 | V | B | 0.0000 | |
| 36 | M | B | 0.0000 | |
| 37 | T | B | -1.2263 | |
| 38 | R | B | -2.4474 | |
| 39 | G | B | 0.0000 | |
| 40 | E | B | -2.5173 | |
| 41 | G | B | -0.9863 | |
| 42 | V | B | 0.0000 | |
| 43 | Y | B | -1.0122 | |
| 44 | L | B | 0.0000 | |
| 45 | W | B | -1.6036 | |
| 46 | D | B | 0.0000 | |
| 47 | S | B | -1.5876 | |
| 48 | E | B | -2.3672 | |
| 49 | G | B | -1.9492 | |
| 50 | N | B | -1.7979 | |
| 51 | K | B | -1.9676 | |
| 52 | I | B | 0.0000 | |
| 53 | I | B | 0.0000 | |
| 54 | D | B | 0.0000 | |
| 55 | G | B | 0.0000 | |
| 56 | M | B | 0.0000 | |
| 57 | A | B | 0.0000 | |
| 58 | G | B | 0.0000 | |
| 59 | L | B | 0.0000 | |
| 60 | W | B | 0.0000 | |
| 61 | C | B | 0.0000 | |
| 62 | V | B | 0.0000 | |
| 63 | N | B | 0.0000 | |
| 64 | V | B | 0.0000 | |
| 65 | G | B | 0.0000 | |
| 66 | Y | B | 0.0000 | |
| 67 | G | B | -2.3246 | |
| 68 | R | B | -2.3445 | |
| 69 | K | B | -3.4175 | |
| 70 | D | B | -2.7755 | |
| 71 | F | B | 0.0000 | |
| 72 | A | B | 0.0000 | |
| 73 | E | B | -2.6815 | |
| 74 | A | B | -1.7742 | |
| 75 | A | B | 0.0000 | |
| 76 | R | B | -2.9848 | |
| 77 | R | B | -3.1842 | |
| 78 | Q | B | -2.2179 | |
| 79 | M | B | 0.0000 | |
| 80 | E | B | -3.4671 | |
| 81 | E | B | -3.5640 | |
| 82 | L | B | 0.0000 | |
| 83 | P | B | 0.0000 | |
| 84 | F | B | 0.0000 | |
| 85 | Y | B | 0.0000 | |
| 86 | N | B | 0.0000 | |
| 87 | T | B | 0.0000 | |
| 88 | F | B | 0.1096 | |
| 89 | F | B | 0.0000 | |
| 90 | K | B | -0.7588 | |
| 91 | T | B | 0.0000 | |
| 92 | T | B | 0.0000 | |
| 93 | H | B | 0.0000 | |
| 94 | P | B | -0.5429 | |
| 95 | A | B | -0.2510 | |
| 96 | V | B | 0.0000 | |
| 97 | V | B | 0.0000 | |
| 98 | E | B | -0.4319 | |
| 99 | L | B | 0.0000 | |
| 100 | S | B | 0.0000 | |
| 101 | S | B | -0.8633 | |
| 102 | L | B | 0.0000 | |
| 103 | L | B | 0.0000 | |
| 104 | A | B | -1.5270 | |
| 105 | E | B | -1.9763 | |
| 106 | V | B | -0.8733 | |
| 107 | T | B | 0.0000 | |
| 108 | P | B | -0.7506 | |
| 109 | A | B | -0.8406 | |
| 110 | G | B | -1.3917 | |
| 111 | F | B | 0.0000 | |
| 112 | D | B | -2.4468 | |
| 113 | R | B | -1.5193 | |
| 114 | V | B | 0.0000 | |
| 115 | F | B | 0.0000 | |
| 116 | Y | B | 0.0000 | |
| 117 | T | B | 0.0000 | |
| 118 | N | B | 0.0000 | |
| 119 | S | B | 0.0000 | |
| 120 | G | B | -0.0294 | |
| 121 | S | B | 0.0000 | |
| 122 | E | B | 0.0000 | |
| 123 | S | B | 0.0000 | |
| 124 | V | B | 0.0000 | |
| 125 | D | B | 0.0000 | |
| 126 | T | B | 0.0000 | |
| 127 | M | B | 0.0000 | |
| 128 | I | B | 0.0000 | |
| 129 | R | B | 0.0000 | |
| 130 | M | B | 0.0000 | |
| 131 | V | B | 0.0000 | |
| 132 | R | B | 0.0000 | |
| 133 | R | B | -1.1981 | |
| 134 | Y | B | 0.0000 | |
| 135 | W | B | 0.0000 | |
| 136 | D | B | -2.0672 | |
| 137 | V | B | -0.5554 | |
| 138 | Q | B | -1.1118 | |
| 139 | G | B | -1.5878 | |
| 140 | K | B | -2.6545 | |
| 141 | P | B | -2.6642 | |
| 142 | E | B | -3.4980 | |
| 143 | K | B | 0.0000 | |
| 144 | K | B | -2.0471 | |
| 145 | T | B | -0.9877 | |
| 146 | L | B | 0.0000 | |
| 147 | I | B | 0.0000 | |
| 148 | G | B | 0.0000 | |
| 149 | R | B | 0.0000 | |
| 150 | W | B | -0.0498 | |
| 151 | N | B | -0.3063 | |
| 152 | G | B | 0.0000 | |
| 153 | Y | B | 0.2585 | |
| 154 | H | B | 0.0000 | |
| 155 | G | B | 0.0000 | |
| 156 | S | B | 0.0000 | |
| 157 | T | B | 0.0000 | |
| 158 | I | B | 0.0000 | |
| 159 | G | B | 0.0000 | |
| 160 | G | B | 0.0000 | |
| 161 | A | B | 0.0000 | |
| 162 | S | B | 0.0000 | |
| 163 | L | B | 0.0000 | |
| 164 | G | B | 0.0000 | |
| 165 | G | B | 0.0000 | |
| 166 | M | B | 0.0000 | |
| 167 | K | B | -1.5880 | |
| 168 | Y | B | -0.4684 | |
| 169 | M | B | 0.0000 | |
| 170 | H | B | 0.0000 | |
| 171 | E | B | -2.4922 | |
| 172 | Q | B | 0.0000 | |
| 173 | G | B | 0.0000 | |
| 174 | D | B | -2.4662 | |
| 175 | L | B | -1.5106 | |
| 176 | P | B | -0.9652 | |
| 177 | I | B | 0.0000 | |
| 178 | P | B | -0.5526 | |
| 179 | G | B | -0.8897 | |
| 180 | M | B | -0.0668 | |
| 181 | A | B | 0.0351 | |
| 182 | H | B | 0.0000 | |
| 183 | I | B | 0.0000 | |
| 184 | E | B | -0.4887 | |
| 185 | Q | B | 0.0000 | |
| 186 | P | B | 0.0000 | |
| 187 | W | B | 0.0000 | |
| 188 | W | B | -1.0390 | |
| 189 | Y | B | 0.0000 | |
| 190 | K | B | -2.2388 | |
| 191 | H | B | -1.6894 | |
| 192 | G | B | 0.0000 | |
| 193 | K | B | -2.9028 | |
| 194 | D | B | -2.7245 | |
| 195 | M | B | -1.9280 | |
| 196 | T | B | -1.7807 | |
| 197 | P | B | -1.6031 | |
| 198 | D | B | -2.2437 | |
| 199 | E | B | -2.2470 | |
| 200 | F | B | 0.0000 | |
| 201 | G | B | 0.0000 | |
| 202 | V | B | -0.1882 | |
| 203 | V | B | 0.0988 | |
| 204 | A | B | 0.0000 | |
| 205 | A | B | 0.0000 | |
| 206 | R | B | -1.5512 | |
| 207 | W | B | -0.9093 | |
| 208 | L | B | 0.0000 | |
| 209 | E | B | 0.0000 | |
| 210 | E | B | -2.2035 | |
| 211 | K | B | -1.4787 | |
| 212 | I | B | 0.0000 | |
| 213 | L | B | -0.3165 | |
| 214 | E | B | -1.5322 | |
| 215 | I | B | -0.9456 | |
| 216 | G | B | -1.0804 | |
| 217 | A | B | -1.6097 | |
| 218 | D | B | -2.9012 | |
| 219 | K | B | -2.8233 | |
| 220 | V | B | 0.0000 | |
| 221 | A | B | 0.0000 | |
| 222 | A | B | 0.0000 | |
| 223 | F | B | 0.0000 | |
| 224 | V | B | 0.0000 | |
| 225 | G | B | 0.0000 | |
| 226 | E | B | 0.0000 | |
| 227 | P | B | 0.0000 | |
| 228 | I | B | 0.0000 | |
| 229 | Q | B | 0.0000 | |
| 230 | G | B | 0.0000 | |
| 231 | A | B | 0.0125 | |
| 232 | G | B | 0.0000 | |
| 233 | G | B | 0.0000 | |
| 234 | V | B | 0.0000 | |
| 235 | I | B | 0.0000 | |
| 236 | V | B | 0.5625 | |
| 237 | P | B | 0.0000 | |
| 238 | P | B | -0.5268 | |
| 239 | A | B | -0.5590 | |
| 240 | T | B | -0.6548 | |
| 241 | Y | B | 0.0000 | |
| 242 | W | B | 0.0000 | |
| 243 | P | B | -0.8638 | |
| 244 | E | B | -1.0036 | |
| 245 | I | B | 0.0000 | |
| 246 | E | B | -1.9283 | |
| 247 | R | B | -2.6703 | |
| 248 | I | B | 0.0000 | |
| 249 | C | B | 0.0000 | |
| 250 | R | B | -2.8066 | |
| 251 | K | B | -2.8372 | |
| 252 | Y | B | -1.6806 | |
| 253 | D | B | -1.7942 | |
| 254 | V | B | 0.0000 | |
| 255 | L | B | 0.0000 | |
| 256 | L | B | 0.0000 | |
| 257 | V | B | 0.0000 | |
| 258 | A | B | 0.0000 | |
| 259 | D | B | 0.0000 | |
| 260 | E | B | 0.0000 | |
| 261 | V | B | 0.0000 | |
| 262 | I | B | 0.2001 | |
| 263 | C | B | 0.0000 | |
| 264 | G | B | 0.0000 | |
| 265 | F | B | 0.0000 | |
| 266 | G | B | 0.0000 | |
| 267 | R | B | 0.0000 | |
| 268 | T | B | 0.0000 | |
| 269 | G | B | 0.0000 | |
| 270 | E | B | -1.4869 | |
| 271 | W | B | -0.8125 | |
| 272 | F | B | 0.0000 | |
| 273 | G | B | 0.0000 | |
| 274 | H | B | 0.0000 | |
| 275 | Q | B | -1.1528 | |
| 276 | H | B | -1.0012 | |
| 277 | F | B | -0.6312 | |
| 278 | G | B | -1.0247 | |
| 279 | F | B | 0.0000 | |
| 280 | Q | B | -1.4203 | |
| 281 | P | B | 0.0000 | |
| 282 | D | B | 0.0000 | |
| 283 | L | B | 0.0000 | |
| 284 | F | B | 0.0000 | |
| 285 | T | B | 0.0000 | |
| 286 | A | B | 0.0000 | |
| 287 | A | B | 0.0000 | |
| 288 | K | B | 0.0000 | |
| 289 | G | B | 0.0000 | |
| 290 | L | B | 0.0000 | |
| 291 | S | B | 0.0000 | |
| 292 | S | B | 0.0000 | |
| 293 | G | B | 0.0000 | |
| 294 | Y | B | 0.0000 | |
| 295 | L | B | 0.0000 | |
| 296 | P | B | 0.0000 | |
| 297 | I | B | 0.0000 | |
| 298 | G | B | 0.0000 | |
| 299 | A | B | 0.0000 | |
| 300 | V | B | 0.0000 | |
| 301 | F | B | 0.0000 | |
| 302 | V | B | 0.0000 | |
| 303 | G | B | 0.0000 | |
| 304 | K | B | -3.0670 | |
| 305 | R | B | -2.3638 | |
| 306 | V | B | 0.0000 | |
| 307 | A | B | 0.0000 | |
| 308 | E | B | -2.4739 | |
| 309 | G | B | 0.0000 | |
| 310 | L | B | 0.0000 | |
| 311 | I | B | -0.5539 | |
| 312 | A | B | -0.5091 | |
| 313 | G | B | -0.6738 | |
| 314 | G | B | -0.7205 | |
| 315 | D | B | -1.2267 | |
| 316 | F | B | 0.0000 | |
| 317 | N | B | 0.0000 | |
| 318 | H | B | 0.0000 | |
| 319 | G | B | 0.0000 | |
| 320 | F | B | 0.0000 | |
| 321 | T | B | 0.0174 | |
| 322 | Y | B | 0.0000 | |
| 323 | S | B | 0.0000 | |
| 324 | G | B | 0.0000 | |
| 325 | H | B | 0.0000 | |
| 326 | P | B | 0.0000 | |
| 327 | V | B | 0.0000 | |
| 328 | C | B | 0.0000 | |
| 329 | A | B | 0.0000 | |
| 330 | A | B | -0.5723 | |
| 331 | V | B | 0.0000 | |
| 332 | A | B | 0.0000 | |
| 333 | H | B | -0.4884 | |
| 334 | A | B | -0.5183 | |
| 335 | N | B | 0.0000 | |
| 336 | V | B | 0.0000 | |
| 337 | A | B | -1.3504 | |
| 338 | A | B | 0.0000 | |
| 339 | L | B | 0.0000 | |
| 340 | R | B | -2.7833 | |
| 341 | D | B | -3.4050 | |
| 342 | E | B | -3.3320 | |
| 343 | G | B | -2.5125 | |
| 344 | I | B | 0.0000 | |
| 345 | V | B | 0.0000 | |
| 346 | Q | B | -3.5018 | |
| 347 | R | B | -2.9799 | |
| 348 | V | B | 0.0000 | |
| 349 | K | B | -3.6045 | |
| 350 | D | B | -3.6690 | |
| 351 | D | B | -3.3268 | |
| 352 | I | B | 0.0000 | |
| 353 | G | B | 0.0000 | |
| 354 | P | B | -1.8278 | |
| 355 | Y | B | -1.6530 | |
| 356 | M | B | 0.0000 | |
| 357 | Q | B | -1.4075 | |
| 358 | K | B | -2.5707 | |
| 359 | R | B | -2.2322 | |
| 360 | W | B | 0.0000 | |
| 361 | R | B | -2.3815 | |
| 362 | E | B | -2.7544 | |
| 363 | T | B | 0.0000 | |
| 364 | F | B | 0.0000 | |
| 365 | S | B | -2.1019 | |
| 366 | R | B | -2.7511 | |
| 367 | F | B | 0.0000 | |
| 368 | E | B | -2.6262 | |
| 369 | H | B | 0.0000 | |
| 370 | V | B | 0.0000 | |
| 371 | D | B | -1.3380 | |
| 372 | D | B | -0.6441 | |
| 373 | V | B | -0.4002 | |
| 374 | R | B | 0.0000 | |
| 375 | G | B | -0.1710 | |
| 376 | V | B | -0.1161 | |
| 377 | G | B | 0.0000 | |
| 378 | M | B | 0.0000 | |
| 379 | V | B | 0.0000 | |
| 380 | Q | B | 0.0000 | |
| 381 | A | B | 0.0000 | |
| 382 | F | B | 0.0000 | |
| 383 | T | B | 0.0000 | |
| 384 | L | B | 0.0000 | |
| 385 | V | B | 0.0000 | |
| 386 | K | B | -1.6855 | |
| 387 | N | B | -2.2293 | |
| 388 | K | B | -2.2970 | |
| 389 | A | B | -1.6326 | |
| 390 | K | B | -2.6446 | |
| 391 | R | B | -2.8140 | |
| 392 | E | B | -2.6513 | |
| 393 | L | B | -1.5072 | |
| 394 | F | B | 0.0000 | |
| 395 | P | B | -1.2637 | |
| 396 | D | B | -1.9202 | |
| 397 | F | B | -0.4813 | |
| 398 | G | B | -0.9543 | |
| 399 | E | B | -1.9540 | |
| 400 | I | B | -0.7893 | |
| 401 | G | B | 0.0000 | |
| 402 | T | B | -0.9750 | |
| 403 | L | B | -0.6468 | |
| 404 | C | B | 0.0000 | |
| 405 | R | B | -1.3545 | |
| 406 | D | B | -2.3454 | |
| 407 | I | B | 0.0000 | |
| 408 | F | B | 0.0000 | |
| 409 | F | B | -1.6043 | |
| 410 | R | B | -2.4542 | |
| 411 | N | B | -1.8241 | |
| 412 | N | B | -1.4153 | |
| 413 | L | B | 0.0000 | |
| 414 | I | B | 0.0000 | |
| 415 | M | B | 0.0000 | |
| 416 | R | B | -0.6428 | |
| 417 | A | B | -0.6447 | |
| 418 | C | B | -0.0280 | |
| 419 | G | B | -0.4641 | |
| 420 | D | B | 0.0000 | |
| 421 | H | B | 0.0000 | |
| 422 | I | B | 0.0000 | |
| 423 | V | B | 0.0000 | |
| 424 | S | B | 0.0000 | |
| 425 | A | B | 0.0000 | |
| 426 | P | B | 0.0000 | |
| 427 | P | B | 0.0000 | |
| 428 | L | B | 0.0000 | |
| 429 | V | B | 0.1929 | |
| 430 | M | B | 0.0000 | |
| 431 | T | B | -0.8395 | |
| 432 | R | B | -1.5277 | |
| 433 | A | B | -1.0248 | |
| 434 | E | B | -1.0612 | |
| 435 | V | B | 0.0000 | |
| 436 | D | B | -1.3229 | |
| 437 | E | B | -1.3500 | |
| 438 | M | B | 0.0000 | |
| 439 | L | B | 0.0000 | |
| 440 | A | B | -0.8798 | |
| 441 | V | B | -0.8261 | |
| 442 | A | B | 0.0000 | |
| 443 | E | B | -1.5808 | |
| 444 | R | B | -2.6155 | |
| 445 | C | B | 0.0000 | |
| 446 | L | B | 0.0000 | |
| 447 | E | B | -3.0054 | |
| 448 | E | B | -2.5388 | |
| 449 | F | B | 0.0000 | |
| 450 | E | B | -2.1272 | |
| 451 | Q | B | -2.6018 | |
| 452 | T | B | -1.9048 | |
| 453 | L | B | 0.0000 | |
| 454 | K | B | -2.4541 | |
| 455 | A | B | -1.9553 | |
| 456 | R | B | -2.4805 | |
| 457 | G | B | -1.3536 | |
| 458 | L | B | -0.5424 |
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 | -0.6385 | 2.6998 | View | CSV | PDB |
| 4.5 | -0.6995 | 2.445 | View | CSV | PDB |
| 5.0 | -0.7749 | 2.2117 | View | CSV | PDB |
| 5.5 | -0.8528 | 2.1737 | View | CSV | PDB |
| 6.0 | -0.9206 | 2.1258 | View | CSV | PDB |
| 6.5 | -0.9678 | 2.0745 | View | CSV | PDB |
| 7.0 | -0.9912 | 2.023 | View | CSV | PDB |
| 7.5 | -0.9963 | 1.972 | View | CSV | PDB |
| 8.0 | -0.9901 | 1.9214 | View | CSV | PDB |
| 8.5 | -0.9753 | 1.8713 | View | CSV | PDB |
| 9.0 | -0.9514 | 1.8224 | 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