| Chain sequence(s) |
A: KKTIVWFRRDLRIEDNPALAAAAHEGSVFPVFIWCPEEEGQFYPGRASRWWMKQSLAHLSQSLKALGSDLTLIQTHNTISAILDCIRVTGPTKVVFNHLYDPVSLVRDHTVKEKLVERGISVQSYNGDLLYEPWEIYCKPFTSFNSYWKKCLDMSIESVMLPPPWRLMPIIWACSIEELGLENEAEKPSNALLTRAWSPGWSNADKLLNEFIEKQLIDYAKNSKKVVGNSTSLLSPYLHFGEISVRHVFQCARMKQIIWARDKNSEGEESADLFLRGIGLREYSRYICFNFPPWDADVDKFKAWRQGRTGYPLVDAGMRELWATGWMHNRIRVIVSSFGVKFLLLPWKWGMKYFWDTLLDADLECDILGWQYISGSIPDGHELDRLDNPALQGAKYDPEGEYIRQWLPELARLPTEWIHHPWDAPLTVLKASGVELGTNYAKPIVDIDTARELLAKA
B: KKTIVWFRRDLRIEDNPALAAAAHEGSVFPVFIWCPEEEGQFYPGRASRWWMKQSLAHLSQSLKALGSDLTLIQTHNTISAILDCIRVTGPTKVVFNHLYDPVSLVRDHTVKEKLVERGISVQSYNGDLLYEPWEIYCKPFTSFNSYWKKCLDMSIESVMLPPPWRLMPIIWACSIEELGLENEAEKPSNALLTRAWSPGWSNADKLLNEFIEKQLIDYAKNSKKVVGNSTSLLSPYLHFGEISVRHVFQCARMKQIIWARDKNSEGEESADLFLRGIGLREYSRYICFNFPPWDADVDKFKAWRQGRTGYPLVDAGMRELWATGWMHNRIRVIVSSFGVKFLLLPWKWGMKYFWDTLLDADLECDILGWQYISGSIPDGHELDRLDNPALQGAKYDPEGEYIRQWLPELARLPTEWIHHPWDAPLTVLKASGVELGTNYAKPIVDIDTARELLAKAISRT 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. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:28:48)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6fba82d515e3161/tmp/folded.pdb (00:28:48)
[INFO] Main: Simulation completed successfully. (00:37:09)
|
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 | K | A | -2.4277 | |
| 6 | K | A | -1.3088 | |
| 7 | T | A | 0.0000 | |
| 8 | I | A | 0.0000 | |
| 9 | V | A | 0.0000 | |
| 10 | W | A | 0.0000 | |
| 11 | F | A | 0.0000 | |
| 12 | R | A | -0.3213 | |
| 13 | R | A | -0.3497 | |
| 14 | D | A | 0.0000 | |
| 15 | L | A | 0.0000 | |
| 16 | R | A | 0.0000 | |
| 17 | I | A | 0.0000 | |
| 18 | E | A | -0.3462 | |
| 19 | D | A | 0.0000 | |
| 20 | N | A | 0.0000 | |
| 21 | P | A | 0.0034 | |
| 22 | A | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | A | A | -0.3739 | |
| 25 | A | A | -0.5444 | |
| 26 | A | A | 0.0000 | |
| 27 | A | A | -1.0307 | |
| 28 | H | A | -1.7772 | |
| 29 | E | A | -1.8806 | |
| 30 | G | A | -1.5978 | |
| 31 | S | A | -0.6598 | |
| 32 | V | A | 0.0000 | |
| 33 | F | A | 0.3561 | |
| 34 | P | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | F | A | 0.0000 | |
| 37 | I | A | 0.0000 | |
| 38 | W | A | 0.0000 | |
| 39 | C | A | 0.0000 | |
| 40 | P | A | -1.6787 | |
| 41 | E | A | -2.7134 | |
| 42 | E | A | -2.0565 | |
| 43 | E | A | -1.3177 | |
| 44 | G | A | -1.6689 | |
| 45 | Q | A | -1.4224 | |
| 46 | F | A | -0.5434 | |
| 47 | Y | A | -0.4113 | |
| 48 | P | A | -0.1615 | |
| 49 | G | A | 0.0000 | |
| 50 | R | A | -0.9757 | |
| 51 | A | A | 0.0000 | |
| 52 | S | A | 0.0000 | |
| 53 | R | A | -0.6305 | |
| 54 | W | A | 0.0000 | |
| 55 | W | A | 0.0000 | |
| 56 | M | A | 0.0000 | |
| 57 | K | A | -0.8612 | |
| 58 | Q | A | -0.5151 | |
| 59 | S | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | A | A | -0.4744 | |
| 62 | H | A | -0.6158 | |
| 63 | L | A | 0.0000 | |
| 64 | S | A | -1.2480 | |
| 65 | Q | A | -2.1713 | |
| 66 | S | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | K | A | -2.6032 | |
| 69 | A | A | -1.8124 | |
| 70 | L | A | 0.0000 | |
| 71 | G | A | -1.3343 | |
| 72 | S | A | 0.0000 | |
| 73 | D | A | -1.7832 | |
| 74 | L | A | 0.0000 | |
| 75 | T | A | 0.0759 | |
| 76 | L | A | 0.0000 | |
| 77 | I | A | 0.0000 | |
| 78 | Q | A | -1.1648 | |
| 79 | T | A | -1.2736 | |
| 80 | H | A | -2.1204 | |
| 81 | N | A | -1.9495 | |
| 82 | T | A | 0.0000 | |
| 83 | I | A | 0.0000 | |
| 84 | S | A | -0.8850 | |
| 85 | A | A | -0.6830 | |
| 86 | I | A | 0.0000 | |
| 87 | L | A | -0.6067 | |
| 88 | D | A | -1.2990 | |
| 89 | C | A | 0.0000 | |
| 90 | I | A | -0.8235 | |
| 91 | R | A | -1.6379 | |
| 92 | V | A | 0.1658 | |
| 93 | T | A | 0.0000 | |
| 94 | G | A | -0.7793 | |
| 95 | P | A | 0.0000 | |
| 96 | T | A | -0.7602 | |
| 97 | K | A | -0.7033 | |
| 98 | V | A | 0.0000 | |
| 99 | V | A | 0.0000 | |
| 100 | F | A | 0.0000 | |
| 101 | N | A | 0.0000 | |
| 102 | H | A | -0.2508 | |
| 103 | L | A | 0.0000 | |
| 104 | Y | A | 0.0000 | |
| 105 | D | A | 0.2513 | |
| 106 | P | A | 0.4454 | |
| 107 | V | A | 0.3976 | |
| 108 | S | A | 0.0000 | |
| 109 | L | A | 0.9132 | |
| 110 | V | A | 1.4351 | |
| 111 | R | A | 0.0402 | |
| 112 | D | A | 0.0000 | |
| 113 | H | A | -1.2895 | |
| 114 | T | A | -1.1903 | |
| 115 | V | A | 0.0000 | |
| 116 | K | A | -2.1035 | |
| 117 | E | A | -3.1740 | |
| 118 | K | A | -2.8260 | |
| 119 | L | A | 0.0000 | |
| 120 | V | A | -0.9208 | |
| 121 | E | A | -2.9299 | |
| 122 | R | A | -2.7394 | |
| 123 | G | A | -1.3225 | |
| 124 | I | A | -0.6455 | |
| 125 | S | A | -0.4975 | |
| 126 | V | A | -0.4773 | |
| 127 | Q | A | -1.0161 | |
| 128 | S | A | 0.0000 | |
| 129 | Y | A | -0.1914 | |
| 130 | N | A | -0.2821 | |
| 131 | G | A | 0.0000 | |
| 132 | D | A | 0.0000 | |
| 133 | L | A | 0.0000 | |
| 134 | L | A | 0.0000 | |
| 135 | Y | A | 0.0367 | |
| 136 | E | A | 0.0000 | |
| 137 | P | A | 0.0000 | |
| 138 | W | A | 0.8238 | |
| 139 | E | A | -0.2888 | |
| 140 | I | A | 0.0000 | |
| 141 | Y | A | 1.4706 | |
| 142 | C | A | 0.7958 | |
| 146 | K | A | -1.6616 | |
| 147 | P | A | -0.7264 | |
| 148 | F | A | 0.0000 | |
| 149 | T | A | -0.7348 | |
| 150 | S | A | -0.7276 | |
| 151 | F | A | -0.8195 | |
| 152 | N | A | -1.5721 | |
| 153 | S | A | -1.2844 | |
| 154 | Y | A | 0.0000 | |
| 155 | W | A | 0.0000 | |
| 156 | K | A | -2.5132 | |
| 157 | K | A | -1.7002 | |
| 158 | C | A | 0.0000 | |
| 159 | L | A | -1.2110 | |
| 160 | D | A | -2.2769 | |
| 161 | M | A | -0.7543 | |
| 162 | S | A | -0.9028 | |
| 163 | I | A | 0.0000 | |
| 164 | E | A | -0.2776 | |
| 165 | S | A | -0.0620 | |
| 166 | V | A | 0.5403 | |
| 167 | M | A | 0.0000 | |
| 168 | L | A | 0.4992 | |
| 169 | P | A | 0.0128 | |
| 170 | P | A | 0.0000 | |
| 171 | P | A | 0.0000 | |
| 172 | W | A | -0.7981 | |
| 173 | R | A | -1.0853 | |
| 174 | L | A | 0.0000 | |
| 175 | M | A | 0.3858 | |
| 176 | P | A | 0.1346 | |
| 177 | I | A | 1.2475 | |
| 184 | I | A | 2.2944 | |
| 185 | W | A | 1.8983 | |
| 186 | A | A | 0.9624 | |
| 187 | C | A | -0.1979 | |
| 188 | S | A | -1.3327 | |
| 189 | I | A | -1.6039 | |
| 190 | E | A | -2.9859 | |
| 191 | E | A | -2.9338 | |
| 192 | L | A | 0.0000 | |
| 193 | G | A | -2.2446 | |
| 194 | L | A | 0.0000 | |
| 195 | E | A | -2.5389 | |
| 196 | N | A | -3.0255 | |
| 197 | E | A | -3.0112 | |
| 198 | A | A | -1.7933 | |
| 199 | E | A | -1.9991 | |
| 200 | K | A | -2.2768 | |
| 201 | P | A | -1.1642 | |
| 202 | S | A | -0.4972 | |
| 203 | N | A | 0.0000 | |
| 204 | A | A | -0.4188 | |
| 205 | L | A | -0.1180 | |
| 206 | L | A | 0.0000 | |
| 207 | T | A | -0.8248 | |
| 208 | R | A | -1.6964 | |
| 209 | A | A | -0.8061 | |
| 210 | W | A | 0.0000 | |
| 211 | S | A | -0.6337 | |
| 212 | P | A | 0.0000 | |
| 213 | G | A | 0.0000 | |
| 214 | W | A | 0.0000 | |
| 215 | S | A | 0.0000 | |
| 216 | N | A | -1.1798 | |
| 217 | A | A | 0.0000 | |
| 218 | D | A | -2.2355 | |
| 219 | K | A | -2.7820 | |
| 220 | L | A | -1.4028 | |
| 221 | L | A | 0.0000 | |
| 222 | N | A | -2.6099 | |
| 223 | E | A | -2.9620 | |
| 224 | F | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | E | A | -2.5555 | |
| 227 | K | A | -2.8911 | |
| 228 | Q | A | -2.1184 | |
| 229 | L | A | 0.0000 | |
| 230 | I | A | -1.8793 | |
| 231 | D | A | -2.7389 | |
| 232 | Y | A | -2.1337 | |
| 233 | A | A | -2.4845 | |
| 234 | K | A | -3.1030 | |
| 235 | N | A | -2.3990 | |
| 236 | S | A | 0.0000 | |
| 237 | K | A | -2.5813 | |
| 238 | K | A | -2.4291 | |
| 239 | V | A | 0.0000 | |
| 240 | V | A | -1.3641 | |
| 241 | G | A | -1.2740 | |
| 242 | N | A | -1.3090 | |
| 243 | S | A | 0.0000 | |
| 244 | T | A | -1.2032 | |
| 245 | S | A | 0.0000 | |
| 246 | L | A | 0.0085 | |
| 247 | L | A | 0.0000 | |
| 248 | S | A | -0.0157 | |
| 249 | P | A | 0.0000 | |
| 250 | Y | A | 0.0000 | |
| 251 | L | A | 0.0000 | |
| 252 | H | A | 0.0000 | |
| 253 | F | A | 0.0000 | |
| 254 | G | A | 0.0000 | |
| 255 | E | A | 0.0000 | |
| 256 | I | A | 0.0000 | |
| 257 | S | A | 0.0000 | |
| 258 | V | A | 0.0000 | |
| 259 | R | A | -0.2298 | |
| 260 | H | A | -0.2909 | |
| 261 | V | A | 0.0000 | |
| 262 | F | A | 0.0000 | |
| 263 | Q | A | 0.0000 | |
| 264 | C | A | -0.0453 | |
| 265 | A | A | 0.0000 | |
| 266 | R | A | 0.0000 | |
| 267 | M | A | 0.0048 | |
| 268 | K | A | -0.3061 | |
| 269 | Q | A | -1.1772 | |
| 270 | I | A | 0.0000 | |
| 271 | I | A | -0.7536 | |
| 272 | W | A | -1.8650 | |
| 273 | A | A | -1.8627 | |
| 274 | R | A | 0.0000 | |
| 275 | D | A | -2.9167 | |
| 276 | K | A | -3.1961 | |
| 277 | N | A | -2.9018 | |
| 278 | S | A | -2.8966 | |
| 279 | E | A | -3.6749 | |
| 280 | G | A | 0.0000 | |
| 281 | E | A | -3.3219 | |
| 282 | E | A | -3.6767 | |
| 283 | S | A | 0.0000 | |
| 284 | A | A | 0.0000 | |
| 285 | D | A | -2.6763 | |
| 286 | L | A | -1.4471 | |
| 287 | F | A | 0.0000 | |
| 288 | L | A | 0.0000 | |
| 289 | R | A | -1.1417 | |
| 290 | G | A | -0.5654 | |
| 291 | I | A | 0.0000 | |
| 292 | G | A | 0.0000 | |
| 293 | L | A | 0.4570 | |
| 294 | R | A | 0.0000 | |
| 295 | E | A | 0.0000 | |
| 296 | Y | A | 0.0000 | |
| 297 | S | A | 0.0000 | |
| 298 | R | A | 0.0000 | |
| 299 | Y | A | 0.0000 | |
| 300 | I | A | 0.0000 | |
| 301 | C | A | 0.8144 | |
| 302 | F | A | 0.9414 | |
| 303 | N | A | 0.6393 | |
| 304 | F | A | 1.6693 | |
| 305 | P | A | 0.6236 | |
| 320 | P | A | -0.2173 | |
| 321 | W | A | 0.2299 | |
| 322 | D | A | -0.6283 | |
| 323 | A | A | -0.3927 | |
| 324 | D | A | -0.9725 | |
| 325 | V | A | 0.0756 | |
| 326 | D | A | -1.6327 | |
| 327 | K | A | -1.4008 | |
| 328 | F | A | -1.0542 | |
| 329 | K | A | -2.1996 | |
| 330 | A | A | 0.0000 | |
| 331 | W | A | 0.0000 | |
| 332 | R | A | -2.1657 | |
| 333 | Q | A | -2.3254 | |
| 334 | G | A | 0.0000 | |
| 335 | R | A | -2.3243 | |
| 336 | T | A | 0.0000 | |
| 337 | G | A | 0.0000 | |
| 338 | Y | A | 0.0000 | |
| 339 | P | A | 0.0000 | |
| 340 | L | A | 0.0000 | |
| 341 | V | A | 0.0000 | |
| 342 | D | A | 0.0000 | |
| 343 | A | A | 0.0000 | |
| 344 | G | A | 0.0000 | |
| 345 | M | A | 0.0000 | |
| 346 | R | A | -0.5801 | |
| 347 | E | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | W | A | 0.6756 | |
| 350 | A | A | 0.5660 | |
| 351 | T | A | 0.1143 | |
| 352 | G | A | 0.0000 | |
| 353 | W | A | 0.0000 | |
| 354 | M | A | 0.0000 | |
| 355 | H | A | 0.0000 | |
| 356 | N | A | -1.7004 | |
| 357 | R | A | -1.3259 | |
| 358 | I | A | 0.0000 | |
| 359 | R | A | -0.7564 | |
| 360 | V | A | -0.2561 | |
| 361 | I | A | -0.2973 | |
| 362 | V | A | 0.0000 | |
| 363 | S | A | 0.0000 | |
| 364 | S | A | 0.0071 | |
| 365 | F | A | 0.0000 | |
| 366 | G | A | 0.0000 | |
| 367 | V | A | 0.0000 | |
| 368 | K | A | 0.0000 | |
| 369 | F | A | 0.0000 | |
| 370 | L | A | 0.0000 | |
| 371 | L | A | 0.2001 | |
| 372 | L | A | 0.0000 | |
| 373 | P | A | 0.0000 | |
| 374 | W | A | 0.0381 | |
| 375 | K | A | -1.5826 | |
| 376 | W | A | -0.5196 | |
| 377 | G | A | 0.0000 | |
| 378 | M | A | -0.9161 | |
| 379 | K | A | -1.9015 | |
| 380 | Y | A | 0.0000 | |
| 381 | F | A | 0.0000 | |
| 382 | W | A | -0.6318 | |
| 383 | D | A | -1.0149 | |
| 384 | T | A | -0.3196 | |
| 385 | L | A | 0.0000 | |
| 386 | L | A | 0.0000 | |
| 387 | D | A | 0.0000 | |
| 388 | A | A | 0.0000 | |
| 389 | D | A | 0.0000 | |
| 390 | L | A | 0.3732 | |
| 391 | E | A | 0.0000 | |
| 392 | C | A | 0.4844 | |
| 393 | D | A | 0.1988 | |
| 394 | I | A | 0.5169 | |
| 395 | L | A | 0.4372 | |
| 396 | G | A | -0.0818 | |
| 397 | W | A | 0.0000 | |
| 398 | Q | A | -0.4988 | |
| 399 | Y | A | -0.7399 | |
| 400 | I | A | 0.0000 | |
| 401 | S | A | -0.8056 | |
| 402 | G | A | -1.9803 | |
| 403 | S | A | -0.9604 | |
| 404 | I | A | -0.9855 | |
| 405 | P | A | -1.5098 | |
| 406 | D | A | -2.4463 | |
| 407 | G | A | -1.9066 | |
| 408 | H | A | -2.8006 | |
| 409 | E | A | -3.3240 | |
| 410 | L | A | -1.9677 | |
| 411 | D | A | -3.6236 | |
| 412 | R | A | -3.7950 | |
| 413 | L | A | 0.0000 | |
| 414 | D | A | -2.6400 | |
| 415 | N | A | -1.3147 | |
| 416 | P | A | 0.0000 | |
| 417 | A | A | -0.6626 | |
| 418 | L | A | 0.0918 | |
| 419 | Q | A | -0.6759 | |
| 420 | G | A | 0.0000 | |
| 421 | A | A | -1.0257 | |
| 422 | K | A | -1.9179 | |
| 423 | Y | A | -1.3744 | |
| 424 | D | A | 0.0000 | |
| 425 | P | A | -2.0539 | |
| 426 | E | A | -3.0152 | |
| 427 | G | A | 0.0000 | |
| 428 | E | A | -2.9857 | |
| 429 | Y | A | 0.0000 | |
| 430 | I | A | 0.0000 | |
| 431 | R | A | -2.3707 | |
| 432 | Q | A | -2.0038 | |
| 433 | W | A | -1.0269 | |
| 434 | L | A | 0.0000 | |
| 435 | P | A | -1.6539 | |
| 436 | E | A | -1.8991 | |
| 437 | L | A | 0.0000 | |
| 438 | A | A | -1.9433 | |
| 439 | R | A | -2.1948 | |
| 440 | L | A | 0.0000 | |
| 441 | P | A | -1.3098 | |
| 442 | T | A | -1.9921 | |
| 443 | E | A | -2.0551 | |
| 444 | W | A | -1.0927 | |
| 445 | I | A | 0.0000 | |
| 446 | H | A | 0.0000 | |
| 447 | H | A | -0.7389 | |
| 448 | P | A | 0.0000 | |
| 449 | W | A | -0.9832 | |
| 450 | D | A | -1.5188 | |
| 451 | A | A | 0.0000 | |
| 452 | P | A | 0.0601 | |
| 453 | L | A | 0.6955 | |
| 454 | T | A | 0.2042 | |
| 455 | V | A | 0.0019 | |
| 456 | L | A | 0.0000 | |
| 457 | K | A | -1.6230 | |
| 458 | A | A | -0.8626 | |
| 459 | S | A | 0.0000 | |
| 460 | G | A | -1.8511 | |
| 461 | V | A | 0.0000 | |
| 462 | E | A | -2.2154 | |
| 463 | L | A | -1.7060 | |
| 464 | G | A | -1.5708 | |
| 465 | T | A | -1.2905 | |
| 466 | N | A | -1.6975 | |
| 467 | Y | A | 0.0000 | |
| 468 | A | A | -1.5918 | |
| 469 | K | A | -2.1876 | |
| 470 | P | A | -0.9678 | |
| 471 | I | A | -0.2796 | |
| 472 | V | A | -0.4349 | |
| 473 | D | A | -1.7027 | |
| 474 | I | A | -1.8412 | |
| 475 | D | A | -2.6553 | |
| 476 | T | A | -1.8299 | |
| 477 | A | A | 0.0000 | |
| 478 | R | A | -3.2788 | |
| 479 | E | A | -2.8699 | |
| 480 | L | A | -1.1939 | |
| 481 | L | A | 0.0000 | |
| 482 | A | A | -1.9833 | |
| 483 | K | A | -2.1549 | |
| 484 | A | A | -0.6881 | |
| 5 | K | B | -2.7403 | |
| 6 | K | B | -1.4799 | |
| 7 | T | B | 0.0000 | |
| 8 | I | B | 0.0000 | |
| 9 | V | B | 0.0000 | |
| 10 | W | B | 0.0000 | |
| 11 | F | B | 0.0000 | |
| 12 | R | B | 0.0000 | |
| 13 | R | B | -0.2804 | |
| 14 | D | B | 0.0000 | |
| 15 | L | B | 0.0000 | |
| 16 | R | B | 0.0000 | |
| 17 | I | B | 0.0000 | |
| 18 | E | B | -0.2865 | |
| 19 | D | B | 0.0000 | |
| 20 | N | B | 0.0000 | |
| 21 | P | B | 0.0726 | |
| 22 | A | B | 0.0000 | |
| 23 | L | B | 0.0000 | |
| 24 | A | B | 0.0000 | |
| 25 | A | B | -0.6347 | |
| 26 | A | B | 0.0000 | |
| 27 | A | B | -1.3023 | |
| 28 | H | B | -1.9341 | |
| 29 | E | B | -2.6215 | |
| 30 | G | B | -1.7770 | |
| 31 | S | B | -0.5930 | |
| 32 | V | B | 0.0000 | |
| 33 | F | B | 0.5680 | |
| 34 | P | B | 0.0000 | |
| 35 | V | B | 0.0000 | |
| 36 | F | B | 0.0000 | |
| 37 | I | B | 0.0000 | |
| 38 | W | B | 0.0000 | |
| 39 | C | B | 0.0000 | |
| 40 | P | B | -1.5257 | |
| 41 | E | B | -2.6261 | |
| 42 | E | B | -1.8934 | |
| 43 | E | B | 0.0000 | |
| 44 | G | B | -1.4545 | |
| 45 | Q | B | -1.5307 | |
| 46 | F | B | -0.5932 | |
| 47 | Y | B | -0.2872 | |
| 48 | P | B | 0.0000 | |
| 49 | G | B | 0.0000 | |
| 50 | R | B | -0.7937 | |
| 51 | A | B | 0.0000 | |
| 52 | S | B | 0.0000 | |
| 53 | R | B | 0.0000 | |
| 54 | W | B | 0.0000 | |
| 55 | W | B | 0.0000 | |
| 56 | M | B | 0.0000 | |
| 57 | K | B | -0.9419 | |
| 58 | Q | B | -0.6885 | |
| 59 | S | B | 0.0000 | |
| 60 | L | B | 0.0000 | |
| 61 | A | B | -0.6745 | |
| 62 | H | B | -0.6245 | |
| 63 | L | B | 0.0000 | |
| 64 | S | B | -1.0301 | |
| 65 | Q | B | -1.6937 | |
| 66 | S | B | 0.0000 | |
| 67 | L | B | 0.0000 | |
| 68 | K | B | -1.8818 | |
| 69 | A | B | -1.5359 | |
| 70 | L | B | -1.0682 | |
| 71 | G | B | -0.8413 | |
| 72 | S | B | -0.7474 | |
| 73 | D | B | -1.1779 | |
| 74 | L | B | 0.0000 | |
| 75 | T | B | 0.0587 | |
| 76 | L | B | 0.0000 | |
| 77 | I | B | 0.0000 | |
| 78 | Q | B | -1.0543 | |
| 79 | T | B | -1.1740 | |
| 80 | H | B | -2.0171 | |
| 81 | N | B | -1.6956 | |
| 82 | T | B | 0.0000 | |
| 83 | I | B | -0.4117 | |
| 84 | S | B | -0.4254 | |
| 85 | A | B | 0.0000 | |
| 86 | I | B | 0.0000 | |
| 87 | L | B | -0.2630 | |
| 88 | D | B | -0.2333 | |
| 89 | C | B | 0.0000 | |
| 90 | I | B | -0.2525 | |
| 91 | R | B | -0.9996 | |
| 92 | V | B | 1.1319 | |
| 93 | T | B | 0.6593 | |
| 94 | G | B | -0.2948 | |
| 95 | P | B | 0.0000 | |
| 96 | T | B | -0.9362 | |
| 97 | K | B | -0.6633 | |
| 98 | V | B | 0.0000 | |
| 99 | V | B | 0.0000 | |
| 100 | F | B | 0.0000 | |
| 101 | N | B | 0.0000 | |
| 102 | H | B | -0.1414 | |
| 103 | L | B | 0.0338 | |
| 104 | Y | B | 0.0000 | |
| 105 | D | B | 0.2691 | |
| 106 | P | B | 0.5509 | |
| 107 | V | B | 0.5849 | |
| 108 | S | B | 0.0000 | |
| 109 | L | B | 0.9151 | |
| 110 | V | B | 1.4348 | |
| 111 | R | B | 0.1474 | |
| 112 | D | B | 0.0000 | |
| 113 | H | B | -1.2064 | |
| 114 | T | B | -1.0357 | |
| 115 | V | B | 0.0000 | |
| 116 | K | B | -1.7895 | |
| 117 | E | B | -2.8645 | |
| 118 | K | B | -2.3280 | |
| 119 | L | B | 0.0000 | |
| 120 | V | B | -0.8149 | |
| 121 | E | B | -2.7356 | |
| 122 | R | B | -2.6764 | |
| 123 | G | B | -1.3615 | |
| 124 | I | B | -0.5583 | |
| 125 | S | B | -0.4483 | |
| 126 | V | B | 0.0000 | |
| 127 | Q | B | -0.8003 | |
| 128 | S | B | -0.3119 | |
| 129 | Y | B | 0.1582 | |
| 130 | N | B | 0.0008 | |
| 131 | G | B | 0.0000 | |
| 132 | D | B | 0.0000 | |
| 133 | L | B | 0.0000 | |
| 134 | L | B | 0.0799 | |
| 135 | Y | B | -0.0433 | |
| 136 | E | B | 0.0000 | |
| 137 | P | B | 0.0000 | |
| 138 | W | B | 0.7969 | |
| 139 | E | B | -0.4353 | |
| 140 | I | B | 0.0000 | |
| 141 | Y | B | 0.9881 | |
| 142 | C | B | 0.7029 | |
| 146 | K | B | -1.0712 | |
| 147 | P | B | -0.0988 | |
| 148 | F | B | -0.1592 | |
| 149 | T | B | -0.5165 | |
| 150 | S | B | -0.8235 | |
| 151 | F | B | 0.0000 | |
| 152 | N | B | -1.9228 | |
| 153 | S | B | -1.3248 | |
| 154 | Y | B | 0.0000 | |
| 155 | W | B | 0.0000 | |
| 156 | K | B | -2.5666 | |
| 157 | K | B | -1.7783 | |
| 158 | C | B | 0.0000 | |
| 159 | L | B | 0.0000 | |
| 160 | D | B | -2.3609 | |
| 161 | M | B | -1.0969 | |
| 162 | S | B | -0.7288 | |
| 163 | I | B | 0.0000 | |
| 164 | E | B | -0.5181 | |
| 165 | S | B | 0.0617 | |
| 166 | V | B | 0.7673 | |
| 167 | M | B | 0.0000 | |
| 168 | L | B | 0.4396 | |
| 169 | P | B | 0.0000 | |
| 170 | P | B | 0.0000 | |
| 171 | P | B | 0.0000 | |
| 172 | W | B | 0.0000 | |
| 173 | R | B | -1.9341 | |
| 174 | L | B | 0.0000 | |
| 175 | M | B | 0.6871 | |
| 176 | P | B | 0.6517 | |
| 177 | I | B | 1.8707 | |
| 184 | I | B | 1.6631 | |
| 185 | W | B | 1.2412 | |
| 186 | A | B | 0.5815 | |
| 187 | C | B | -0.4139 | |
| 188 | S | B | -1.2689 | |
| 189 | I | B | -1.5710 | |
| 190 | E | B | -2.8489 | |
| 191 | E | B | -2.9157 | |
| 192 | L | B | 0.0000 | |
| 193 | G | B | -2.2436 | |
| 194 | L | B | 0.0000 | |
| 195 | E | B | -2.3197 | |
| 196 | N | B | -2.5688 | |
| 197 | E | B | -2.9098 | |
| 198 | A | B | -1.7502 | |
| 199 | E | B | -1.9478 | |
| 200 | K | B | -2.1647 | |
| 201 | P | B | -0.8952 | |
| 202 | S | B | -0.3295 | |
| 203 | N | B | 0.0000 | |
| 204 | A | B | -0.1196 | |
| 205 | L | B | 0.5424 | |
| 206 | L | B | 0.0000 | |
| 207 | T | B | -0.5725 | |
| 208 | R | B | -1.4039 | |
| 209 | A | B | -0.6874 | |
| 210 | W | B | 0.0000 | |
| 211 | S | B | -0.6249 | |
| 212 | P | B | 0.0000 | |
| 213 | G | B | 0.0000 | |
| 214 | W | B | 0.0000 | |
| 215 | S | B | -0.7991 | |
| 216 | N | B | -1.1449 | |
| 217 | A | B | 0.0000 | |
| 218 | D | B | -1.5260 | |
| 219 | K | B | -2.3176 | |
| 220 | L | B | -1.1396 | |
| 221 | L | B | 0.0000 | |
| 222 | N | B | -2.1748 | |
| 223 | E | B | -2.3408 | |
| 224 | F | B | 0.0000 | |
| 225 | I | B | 0.0000 | |
| 226 | E | B | -3.0633 | |
| 227 | K | B | -2.8990 | |
| 228 | Q | B | -1.8996 | |
| 229 | L | B | 0.0000 | |
| 230 | I | B | -1.8047 | |
| 231 | D | B | -2.1967 | |
| 232 | Y | B | -1.7701 | |
| 233 | A | B | -2.2063 | |
| 234 | K | B | -2.9036 | |
| 235 | N | B | -2.0590 | |
| 236 | S | B | -1.9366 | |
| 237 | K | B | -2.6606 | |
| 238 | K | B | -2.2522 | |
| 239 | V | B | 0.0000 | |
| 240 | V | B | -0.9226 | |
| 241 | G | B | -1.2682 | |
| 242 | N | B | -1.3822 | |
| 243 | S | B | 0.0000 | |
| 244 | T | B | -1.1403 | |
| 245 | S | B | -0.2528 | |
| 246 | L | B | -0.0208 | |
| 247 | L | B | 0.0000 | |
| 248 | S | B | -0.0091 | |
| 249 | P | B | 0.0000 | |
| 250 | Y | B | 0.0000 | |
| 251 | L | B | 0.0000 | |
| 252 | H | B | 0.0000 | |
| 253 | F | B | 0.0000 | |
| 254 | G | B | 0.0000 | |
| 255 | E | B | 0.0000 | |
| 256 | I | B | 0.0000 | |
| 257 | S | B | 0.0000 | |
| 258 | V | B | 0.0000 | |
| 259 | R | B | 0.0000 | |
| 260 | H | B | -0.1445 | |
| 261 | V | B | 0.0000 | |
| 262 | F | B | 0.0000 | |
| 263 | Q | B | -0.3654 | |
| 264 | C | B | -0.3372 | |
| 265 | A | B | 0.0000 | |
| 266 | R | B | -0.5924 | |
| 267 | M | B | 0.0000 | |
| 268 | K | B | -0.5565 | |
| 269 | Q | B | 0.0000 | |
| 270 | I | B | 0.0000 | |
| 271 | I | B | -0.8126 | |
| 272 | W | B | -1.9350 | |
| 273 | A | B | -1.9091 | |
| 274 | R | B | 0.0000 | |
| 275 | D | B | -2.8856 | |
| 276 | K | B | -3.1220 | |
| 277 | N | B | -2.6867 | |
| 278 | S | B | -2.7459 | |
| 279 | E | B | -3.2412 | |
| 280 | G | B | 0.0000 | |
| 281 | E | B | -3.2121 | |
| 282 | E | B | -3.2637 | |
| 283 | S | B | 0.0000 | |
| 284 | A | B | 0.0000 | |
| 285 | D | B | -1.5190 | |
| 286 | L | B | -0.5361 | |
| 287 | F | B | 0.0000 | |
| 288 | L | B | 0.0000 | |
| 289 | R | B | -0.7772 | |
| 290 | G | B | -0.1970 | |
| 291 | I | B | 0.0000 | |
| 292 | G | B | 0.0000 | |
| 293 | L | B | 0.4150 | |
| 294 | R | B | 0.0000 | |
| 295 | E | B | 0.0000 | |
| 296 | Y | B | 0.0000 | |
| 297 | S | B | 0.0000 | |
| 298 | R | B | 0.0000 | |
| 299 | Y | B | 0.0000 | |
| 300 | I | B | 0.0000 | |
| 301 | C | B | 0.4855 | |
| 302 | F | B | 0.7503 | |
| 303 | N | B | 0.2998 | |
| 304 | F | B | 0.4963 | |
| 305 | P | B | 0.0896 | |
| 320 | P | B | -0.5041 | |
| 321 | W | B | -0.2771 | |
| 322 | D | B | -1.7155 | |
| 323 | A | B | -0.9596 | |
| 324 | D | B | -1.3433 | |
| 325 | V | B | 0.1247 | |
| 326 | D | B | -1.8864 | |
| 327 | K | B | -1.7133 | |
| 328 | F | B | -1.1578 | |
| 329 | K | B | -2.3068 | |
| 330 | A | B | 0.0000 | |
| 331 | W | B | 0.0000 | |
| 332 | R | B | -2.2090 | |
| 333 | Q | B | -2.3011 | |
| 334 | G | B | 0.0000 | |
| 335 | R | B | -2.4517 | |
| 336 | T | B | 0.0000 | |
| 337 | G | B | 0.0000 | |
| 338 | Y | B | 0.0000 | |
| 339 | P | B | 0.0000 | |
| 340 | L | B | 0.0000 | |
| 341 | V | B | 0.0000 | |
| 342 | D | B | 0.0000 | |
| 343 | A | B | 0.0000 | |
| 344 | G | B | 0.0000 | |
| 345 | M | B | 0.0000 | |
| 346 | R | B | -0.4925 | |
| 347 | E | B | 0.0000 | |
| 348 | L | B | 0.0000 | |
| 349 | W | B | 0.7437 | |
| 350 | A | B | 0.4884 | |
| 351 | T | B | 0.2053 | |
| 352 | G | B | 0.0000 | |
| 353 | W | B | 0.0000 | |
| 354 | M | B | 0.0000 | |
| 355 | H | B | 0.0000 | |
| 356 | N | B | -1.9617 | |
| 357 | R | B | -1.7289 | |
| 358 | I | B | 0.0000 | |
| 359 | R | B | -0.9045 | |
| 360 | V | B | -0.3651 | |
| 361 | I | B | 0.0000 | |
| 362 | V | B | 0.0000 | |
| 363 | S | B | 0.0000 | |
| 364 | S | B | 0.0000 | |
| 365 | F | B | 0.0000 | |
| 366 | G | B | 0.0000 | |
| 367 | V | B | 0.0000 | |
| 368 | K | B | -0.2930 | |
| 369 | F | B | 0.0000 | |
| 370 | L | B | 0.0000 | |
| 371 | L | B | -0.3177 | |
| 372 | L | B | 0.0000 | |
| 373 | P | B | -0.4224 | |
| 374 | W | B | -0.4173 | |
| 375 | K | B | -1.4050 | |
| 376 | W | B | -0.5325 | |
| 377 | G | B | 0.0000 | |
| 378 | M | B | 0.0000 | |
| 379 | K | B | -2.1111 | |
| 380 | Y | B | 0.0000 | |
| 381 | F | B | 0.0000 | |
| 382 | W | B | 0.0000 | |
| 383 | D | B | -1.0424 | |
| 384 | T | B | -0.3099 | |
| 385 | L | B | 0.0000 | |
| 386 | L | B | 0.0000 | |
| 387 | D | B | 0.0000 | |
| 388 | A | B | 0.0000 | |
| 389 | D | B | 0.0000 | |
| 390 | L | B | 0.0000 | |
| 391 | E | B | 0.0000 | |
| 392 | C | B | 0.4722 | |
| 393 | D | B | 0.0000 | |
| 394 | I | B | 0.2838 | |
| 395 | L | B | 0.4921 | |
| 396 | G | B | -0.0184 | |
| 397 | W | B | 0.0000 | |
| 398 | Q | B | 0.0386 | |
| 399 | Y | B | 0.1702 | |
| 400 | I | B | 0.0000 | |
| 401 | S | B | -0.2144 | |
| 402 | G | B | -0.6796 | |
| 403 | S | B | -0.3944 | |
| 404 | I | B | -0.4799 | |
| 405 | P | B | -0.9615 | |
| 406 | D | B | -1.6829 | |
| 407 | G | B | 0.0000 | |
| 408 | H | B | -1.1908 | |
| 409 | E | B | -1.9206 | |
| 410 | L | B | -0.6650 | |
| 411 | D | B | -2.0895 | |
| 412 | R | B | -2.7702 | |
| 413 | L | B | -1.6548 | |
| 414 | D | B | -1.2450 | |
| 415 | N | B | -1.0712 | |
| 416 | P | B | 0.0000 | |
| 417 | A | B | -0.3389 | |
| 418 | L | B | 0.6496 | |
| 419 | Q | B | -0.1143 | |
| 420 | G | B | 0.0000 | |
| 421 | A | B | -0.4739 | |
| 422 | K | B | -1.0098 | |
| 423 | Y | B | -1.1525 | |
| 424 | D | B | 0.0000 | |
| 425 | P | B | -1.8722 | |
| 426 | E | B | -2.7558 | |
| 427 | G | B | 0.0000 | |
| 428 | E | B | -2.4226 | |
| 429 | Y | B | 0.0000 | |
| 430 | I | B | 0.0000 | |
| 431 | R | B | -2.1645 | |
| 432 | Q | B | -1.8354 | |
| 433 | W | B | -0.9084 | |
| 434 | L | B | 0.0000 | |
| 435 | P | B | -1.5791 | |
| 436 | E | B | -1.8415 | |
| 437 | L | B | 0.0000 | |
| 438 | A | B | -1.8726 | |
| 439 | R | B | -2.2290 | |
| 440 | L | B | 0.0000 | |
| 441 | P | B | -1.2956 | |
| 442 | T | B | -1.9369 | |
| 443 | E | B | -1.9145 | |
| 444 | W | B | -1.0700 | |
| 445 | I | B | 0.0000 | |
| 446 | H | B | 0.0000 | |
| 447 | H | B | -0.7603 | |
| 448 | P | B | 0.0000 | |
| 449 | W | B | -0.9569 | |
| 450 | D | B | -1.3869 | |
| 451 | A | B | 0.0000 | |
| 452 | P | B | 0.0791 | |
| 453 | L | B | 0.7372 | |
| 454 | T | B | 0.2132 | |
| 455 | V | B | -0.0594 | |
| 456 | L | B | 0.0000 | |
| 457 | K | B | -1.6450 | |
| 458 | A | B | -0.9157 | |
| 459 | S | B | 0.0000 | |
| 460 | G | B | -1.9417 | |
| 461 | V | B | 0.0000 | |
| 462 | E | B | -2.1539 | |
| 463 | L | B | -1.4836 | |
| 464 | G | B | -1.4901 | |
| 465 | T | B | -1.2710 | |
| 466 | N | B | -1.8027 | |
| 467 | Y | B | 0.0000 | |
| 468 | A | B | -1.6294 | |
| 469 | K | B | -2.3310 | |
| 470 | P | B | -1.2636 | |
| 471 | I | B | -0.7715 | |
| 472 | V | B | -0.9447 | |
| 473 | D | B | -2.3764 | |
| 474 | I | B | -2.0182 | |
| 475 | D | B | -2.9265 | |
| 476 | T | B | -2.2841 | |
| 477 | A | B | 0.0000 | |
| 478 | R | B | -3.6445 | |
| 479 | E | B | -3.0812 | |
| 480 | L | B | -1.5192 | |
| 481 | L | B | -1.6492 | |
| 482 | A | B | -2.1187 | |
| 483 | K | B | -2.4457 | |
| 484 | A | B | -1.4451 | |
| 485 | I | B | -0.9408 | |
| 486 | S | B | -1.4192 | |
| 487 | R | B | -2.1830 | |
| 488 | T | B | -1.0643 |
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 | -0.4752 | 5.259 | View | CSV | PDB |
| 4.5 | -0.5392 | 5.259 | View | CSV | PDB |
| 5.0 | -0.6173 | 5.259 | View | CSV | PDB |
| 5.5 | -0.6931 | 5.259 | View | CSV | PDB |
| 6.0 | -0.7512 | 5.259 | View | CSV | PDB |
| 6.5 | -0.7817 | 5.259 | View | CSV | PDB |
| 7.0 | -0.7851 | 5.259 | View | CSV | PDB |
| 7.5 | -0.7706 | 5.259 | View | CSV | PDB |
| 8.0 | -0.7469 | 5.259 | View | CSV | PDB |
| 8.5 | -0.7165 | 5.259 | View | CSV | PDB |
| 9.0 | -0.6783 | 5.259 | 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