| Chain sequence(s) |
A: GVGYSTGGWTGGTIFSENIVVTKNTRQFICDIKNGHLYKSEVLNTGDTAHRQYAITTPWSYFNFNQYSSHFSPNDWQHLVNDYERFRPKAMIVRVYNLQIKQIMTDGAMGTVYNNDLTAGMHIFCDGDHRYPYVQHPWDDQCMPELPNSIWELPQYAYIPAPISVVDNNTTNTVEEHLLKGVPLYMLENSDHEVLRTGESTEFTFNFGDCEWIENNITFSMPQMMYNPLVRSRRIYSYSGPNNQTSNAFQNAALRTSNWMSGPGIARGTHNATLQTQSAGALVTMVTNGADVSGVGAVRVGYSTDPIYGGQQPDSDLLRLRYSASAAEGQQNPILENAARHTFTREARTKLITGSNGADGNYKEWWMLPNQMWDSAPISRYNPIWVKVPRVNRKTLLDTQDGSIPMSHPPGTIFIKLARIPVPGNGDSFLNIYVTGQVSCEVVWEVEKRGTKNWRPEYMHSATNMSVDAYTINNAGVYAGAVQNADVMQTRFNHHKVL
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:09:45)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c98c75ac4dd3f69/tmp/folded.pdb (00:09:45)
[INFO] Main: Simulation completed successfully. (00:13:27)
|
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 |
|---|---|---|---|---|
| 39 | G | A | -0.1066 | |
| 40 | V | A | 0.4784 | |
| 41 | G | A | 0.3691 | |
| 42 | Y | A | 0.9605 | |
| 43 | S | A | 0.0838 | |
| 44 | T | A | -0.1750 | |
| 45 | G | A | -0.5011 | |
| 46 | G | A | -0.3409 | |
| 47 | W | A | 0.2941 | |
| 48 | T | A | -0.3248 | |
| 49 | G | A | -0.6299 | |
| 50 | G | A | -0.5760 | |
| 51 | T | A | 0.4164 | |
| 52 | I | A | 1.8065 | |
| 53 | F | A | 0.8113 | |
| 54 | S | A | -0.5687 | |
| 55 | E | A | -2.6354 | |
| 56 | N | A | -2.2878 | |
| 57 | I | A | -0.5953 | |
| 58 | V | A | 0.0000 | |
| 59 | V | A | 0.6300 | |
| 60 | T | A | 0.0000 | |
| 61 | K | A | -0.5750 | |
| 62 | N | A | -0.6334 | |
| 63 | T | A | 0.0000 | |
| 64 | R | A | 0.0000 | |
| 65 | Q | A | -0.2968 | |
| 66 | F | A | 0.0000 | |
| 67 | I | A | -0.3572 | |
| 68 | C | A | 0.0000 | |
| 69 | D | A | -2.0201 | |
| 70 | I | A | -1.0037 | |
| 71 | K | A | -0.7715 | |
| 72 | N | A | -0.7735 | |
| 73 | G | A | -0.3911 | |
| 74 | H | A | 0.0000 | |
| 75 | L | A | 0.8018 | |
| 76 | Y | A | -0.0840 | |
| 77 | K | A | -1.4512 | |
| 78 | S | A | -0.5093 | |
| 79 | E | A | -0.0875 | |
| 80 | V | A | 1.0965 | |
| 81 | L | A | 0.5586 | |
| 82 | N | A | -1.2281 | |
| 83 | T | A | -1.0783 | |
| 84 | G | A | -1.6273 | |
| 85 | D | A | -2.2780 | |
| 86 | T | A | -1.3396 | |
| 87 | A | A | 0.0000 | |
| 88 | H | A | -0.9582 | |
| 89 | R | A | -1.1492 | |
| 90 | Q | A | 0.1703 | |
| 91 | Y | A | 0.6435 | |
| 92 | A | A | 0.0000 | |
| 93 | I | A | 0.0000 | |
| 94 | T | A | 0.0000 | |
| 95 | T | A | 0.0000 | |
| 96 | P | A | 0.0000 | |
| 97 | W | A | 0.0000 | |
| 98 | S | A | 0.0000 | |
| 99 | Y | A | 0.0000 | |
| 100 | F | A | 0.0000 | |
| 101 | N | A | 0.0000 | |
| 102 | F | A | 0.0000 | |
| 103 | N | A | 0.0000 | |
| 104 | Q | A | -0.3458 | |
| 105 | Y | A | 0.0000 | |
| 106 | S | A | 0.0000 | |
| 107 | S | A | 0.0000 | |
| 108 | H | A | 0.0000 | |
| 109 | F | A | 0.0000 | |
| 110 | S | A | -0.7388 | |
| 111 | P | A | -0.8843 | |
| 112 | N | A | -1.6381 | |
| 113 | D | A | -1.0145 | |
| 114 | W | A | 0.0000 | |
| 115 | Q | A | -1.3384 | |
| 116 | H | A | -1.4539 | |
| 117 | L | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | N | A | -1.1188 | |
| 120 | D | A | -2.7434 | |
| 121 | Y | A | 0.0000 | |
| 122 | E | A | 0.0000 | |
| 123 | R | A | -1.8762 | |
| 124 | F | A | 0.0000 | |
| 125 | R | A | -1.3820 | |
| 126 | P | A | 0.0000 | |
| 127 | K | A | -1.9078 | |
| 128 | A | A | -1.0793 | |
| 129 | M | A | 0.0000 | |
| 130 | I | A | -0.3464 | |
| 131 | V | A | 0.0000 | |
| 132 | R | A | -1.3872 | |
| 133 | V | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | N | A | -0.8900 | |
| 136 | L | A | 0.0000 | |
| 137 | Q | A | -1.0689 | |
| 138 | I | A | 0.0000 | |
| 139 | K | A | -0.6966 | |
| 140 | Q | A | -0.2455 | |
| 141 | I | A | 0.5838 | |
| 142 | M | A | 0.6016 | |
| 143 | T | A | -0.0775 | |
| 144 | D | A | -1.3412 | |
| 145 | G | A | -0.8276 | |
| 146 | A | A | -0.0655 | |
| 147 | M | A | 0.9357 | |
| 148 | G | A | 0.5144 | |
| 149 | T | A | 1.0803 | |
| 150 | V | A | 2.1469 | |
| 151 | Y | A | 1.4332 | |
| 152 | N | A | -0.6597 | |
| 153 | N | A | -1.4845 | |
| 154 | D | A | -0.7777 | |
| 155 | L | A | 0.2027 | |
| 156 | T | A | -0.1188 | |
| 157 | A | A | 0.0000 | |
| 158 | G | A | -0.4705 | |
| 159 | M | A | 0.0000 | |
| 160 | H | A | -0.3325 | |
| 161 | I | A | 0.0000 | |
| 162 | F | A | 0.0000 | |
| 163 | C | A | -0.5402 | |
| 164 | D | A | 0.0000 | |
| 165 | G | A | -1.5461 | |
| 166 | D | A | -2.5875 | |
| 167 | H | A | -1.9289 | |
| 168 | R | A | -1.8706 | |
| 169 | Y | A | 0.0000 | |
| 170 | P | A | 0.1302 | |
| 171 | Y | A | -0.1487 | |
| 172 | V | A | 0.1039 | |
| 173 | Q | A | 0.0000 | |
| 174 | H | A | -1.0455 | |
| 175 | P | A | 0.0000 | |
| 176 | W | A | -0.5268 | |
| 177 | D | A | -1.3404 | |
| 178 | D | A | -1.8323 | |
| 179 | Q | A | -1.7160 | |
| 180 | C | A | -1.0300 | |
| 181 | M | A | 0.0000 | |
| 182 | P | A | -0.5771 | |
| 183 | E | A | -0.2907 | |
| 184 | L | A | 0.0879 | |
| 185 | P | A | -0.5551 | |
| 186 | N | A | -1.0441 | |
| 187 | S | A | -0.1194 | |
| 188 | I | A | 0.3689 | |
| 189 | W | A | 0.0000 | |
| 190 | E | A | -1.8332 | |
| 191 | L | A | 0.0000 | |
| 192 | P | A | -1.2179 | |
| 193 | Q | A | -1.0287 | |
| 194 | Y | A | 0.0000 | |
| 195 | A | A | -0.0160 | |
| 196 | Y | A | 0.0000 | |
| 197 | I | A | 1.6095 | |
| 198 | P | A | 1.0821 | |
| 199 | A | A | 0.6137 | |
| 200 | P | A | 0.4767 | |
| 201 | I | A | 0.1362 | |
| 202 | S | A | 0.0000 | |
| 203 | V | A | 0.0000 | |
| 204 | V | A | -1.3027 | |
| 205 | D | A | -2.2649 | |
| 206 | N | A | -2.0863 | |
| 207 | N | A | -1.9749 | |
| 208 | T | A | -0.9764 | |
| 209 | T | A | -0.9202 | |
| 210 | N | A | -1.2703 | |
| 211 | T | A | -0.6357 | |
| 212 | V | A | -0.6714 | |
| 213 | E | A | 0.0000 | |
| 214 | E | A | -1.7474 | |
| 215 | H | A | -1.4963 | |
| 216 | L | A | -0.8270 | |
| 217 | L | A | -0.9792 | |
| 218 | K | A | -1.9621 | |
| 219 | G | A | -1.0066 | |
| 220 | V | A | 0.0520 | |
| 221 | P | A | 0.6054 | |
| 222 | L | A | 1.9557 | |
| 223 | Y | A | 0.9136 | |
| 224 | M | A | 0.2225 | |
| 225 | L | A | 0.0000 | |
| 226 | E | A | -2.2870 | |
| 227 | N | A | -2.2045 | |
| 228 | S | A | -2.1143 | |
| 229 | D | A | -2.4857 | |
| 230 | H | A | -1.5962 | |
| 231 | E | A | -0.6203 | |
| 232 | V | A | 0.4062 | |
| 233 | L | A | 0.0000 | |
| 234 | R | A | -1.5815 | |
| 235 | T | A | -1.0515 | |
| 236 | G | A | -0.6137 | |
| 237 | E | A | -0.8569 | |
| 238 | S | A | -1.1706 | |
| 239 | T | A | -1.1046 | |
| 240 | E | A | -1.8899 | |
| 241 | F | A | -0.6368 | |
| 242 | T | A | -0.4908 | |
| 243 | F | A | -0.5847 | |
| 244 | N | A | -1.8440 | |
| 245 | F | A | 0.0000 | |
| 246 | G | A | -2.3357 | |
| 247 | D | A | -2.7917 | |
| 248 | C | A | 0.0000 | |
| 249 | E | A | -2.3703 | |
| 250 | W | A | -1.4717 | |
| 251 | I | A | 0.0000 | |
| 252 | E | A | -1.2459 | |
| 253 | N | A | 0.0000 | |
| 254 | N | A | 0.0000 | |
| 255 | I | A | 0.0000 | |
| 256 | T | A | 0.0000 | |
| 257 | F | A | 2.1502 | |
| 258 | S | A | 1.8934 | |
| 259 | M | A | 1.5414 | |
| 260 | P | A | 0.0000 | |
| 261 | Q | A | -0.2531 | |
| 262 | M | A | 0.9016 | |
| 263 | M | A | 1.1439 | |
| 264 | Y | A | 0.5345 | |
| 265 | N | A | -0.0400 | |
| 266 | P | A | 0.4367 | |
| 267 | L | A | 1.6088 | |
| 268 | V | A | 1.1822 | |
| 269 | R | A | -1.4912 | |
| 270 | S | A | -1.8887 | |
| 271 | R | A | -2.7703 | |
| 272 | R | A | -2.3766 | |
| 273 | I | A | -0.2510 | |
| 274 | Y | A | 0.2464 | |
| 275 | S | A | -0.0884 | |
| 276 | Y | A | -0.1124 | |
| 277 | S | A | -1.2473 | |
| 278 | G | A | 0.0000 | |
| 279 | P | A | -1.5045 | |
| 280 | N | A | -2.3527 | |
| 281 | N | A | -2.6147 | |
| 282 | Q | A | -2.2285 | |
| 283 | T | A | -1.4143 | |
| 284 | S | A | -1.0585 | |
| 285 | N | A | -0.6531 | |
| 286 | A | A | -0.3371 | |
| 287 | F | A | -0.5716 | |
| 288 | Q | A | -1.0946 | |
| 289 | N | A | -1.1878 | |
| 290 | A | A | -0.4146 | |
| 291 | A | A | 0.2779 | |
| 292 | L | A | 0.5181 | |
| 293 | R | A | -1.7159 | |
| 294 | T | A | -1.0370 | |
| 295 | S | A | -0.8745 | |
| 296 | N | A | -1.4104 | |
| 297 | W | A | -0.4689 | |
| 298 | M | A | -0.0270 | |
| 299 | S | A | 0.0369 | |
| 300 | G | A | 0.0000 | |
| 301 | P | A | 0.7463 | |
| 302 | G | A | 0.0514 | |
| 303 | I | A | -0.6416 | |
| 304 | A | A | 0.0000 | |
| 305 | R | A | -2.4520 | |
| 306 | G | A | -1.1077 | |
| 307 | T | A | -0.8024 | |
| 308 | H | A | -0.0823 | |
| 309 | N | A | -0.3372 | |
| 310 | A | A | -0.2103 | |
| 311 | T | A | -0.2514 | |
| 312 | L | A | -0.2409 | |
| 313 | Q | A | -1.1332 | |
| 314 | T | A | -1.1719 | |
| 315 | Q | A | -0.6470 | |
| 316 | S | A | 0.0947 | |
| 317 | A | A | -0.1156 | |
| 318 | G | A | 0.0360 | |
| 319 | A | A | -0.3049 | |
| 320 | L | A | 0.6991 | |
| 321 | V | A | 1.1627 | |
| 322 | T | A | 1.1423 | |
| 323 | M | A | 1.6682 | |
| 324 | V | A | 1.7405 | |
| 325 | T | A | 0.0873 | |
| 326 | N | A | -1.0820 | |
| 327 | G | A | -0.9408 | |
| 328 | A | A | -1.3704 | |
| 329 | D | A | -1.9918 | |
| 330 | V | A | -0.9152 | |
| 331 | S | A | -0.5506 | |
| 332 | G | A | -0.4509 | |
| 333 | V | A | 0.2264 | |
| 334 | G | A | -0.1111 | |
| 335 | A | A | 0.4769 | |
| 336 | V | A | 0.5268 | |
| 337 | R | A | -0.1620 | |
| 338 | V | A | 0.0000 | |
| 339 | G | A | 0.0000 | |
| 340 | Y | A | 1.1564 | |
| 341 | S | A | 0.5006 | |
| 342 | T | A | -0.1175 | |
| 343 | D | A | -0.8178 | |
| 344 | P | A | 0.0000 | |
| 345 | I | A | -0.3357 | |
| 346 | Y | A | 0.0000 | |
| 347 | G | A | 0.0000 | |
| 348 | G | A | 0.0000 | |
| 349 | Q | A | 0.0000 | |
| 350 | Q | A | -1.9059 | |
| 351 | P | A | 0.0000 | |
| 352 | D | A | -2.7759 | |
| 353 | S | A | -1.7550 | |
| 354 | D | A | -1.4719 | |
| 355 | L | A | 0.2058 | |
| 356 | L | A | 0.0000 | |
| 357 | R | A | -0.4843 | |
| 358 | L | A | -0.5680 | |
| 359 | R | A | -0.7683 | |
| 360 | Y | A | -0.4467 | |
| 361 | S | A | -0.7251 | |
| 362 | A | A | -0.6336 | |
| 363 | S | A | -1.3774 | |
| 364 | A | A | -1.3483 | |
| 365 | A | A | -1.5988 | |
| 366 | E | A | -2.5204 | |
| 367 | G | A | -2.1822 | |
| 368 | Q | A | -2.5924 | |
| 369 | Q | A | -2.3846 | |
| 370 | N | A | -1.5749 | |
| 371 | P | A | -1.3045 | |
| 372 | I | A | 0.0000 | |
| 373 | L | A | -0.6911 | |
| 374 | E | A | 0.0000 | |
| 375 | N | A | -0.7844 | |
| 376 | A | A | -0.8121 | |
| 377 | A | A | -0.9995 | |
| 378 | R | A | -1.7705 | |
| 379 | H | A | -0.3801 | |
| 380 | T | A | 0.0000 | |
| 381 | F | A | 1.4979 | |
| 382 | T | A | 0.0000 | |
| 383 | R | A | -0.4928 | |
| 384 | E | A | -1.0575 | |
| 385 | A | A | -1.1029 | |
| 386 | R | A | -2.9358 | |
| 387 | T | A | -1.8672 | |
| 388 | K | A | -1.9734 | |
| 389 | L | A | 0.7043 | |
| 390 | I | A | 1.0069 | |
| 391 | T | A | 0.1572 | |
| 392 | G | A | -0.5464 | |
| 393 | S | A | -0.8977 | |
| 394 | N | A | -1.6519 | |
| 395 | G | A | -0.9894 | |
| 396 | A | A | -0.9426 | |
| 397 | D | A | -1.4718 | |
| 398 | G | A | -1.1651 | |
| 399 | N | A | -2.2788 | |
| 400 | Y | A | -1.5972 | |
| 401 | K | A | -2.5789 | |
| 402 | E | A | -0.9430 | |
| 403 | W | A | 0.0000 | |
| 404 | W | A | 1.5170 | |
| 405 | M | A | 1.5898 | |
| 406 | L | A | 1.0763 | |
| 407 | P | A | -0.1779 | |
| 408 | N | A | -0.7374 | |
| 409 | Q | A | -0.0566 | |
| 410 | M | A | 0.0380 | |
| 411 | W | A | 0.4326 | |
| 412 | D | A | -0.1536 | |
| 413 | S | A | -0.5530 | |
| 414 | A | A | 0.0000 | |
| 415 | P | A | 0.0000 | |
| 416 | I | A | 0.0000 | |
| 417 | S | A | 0.0000 | |
| 418 | R | A | 0.0000 | |
| 419 | Y | A | 0.0000 | |
| 420 | N | A | 0.0000 | |
| 421 | P | A | 0.0000 | |
| 422 | I | A | 0.0000 | |
| 423 | W | A | 0.0000 | |
| 424 | V | A | -0.2341 | |
| 425 | K | A | -0.8389 | |
| 426 | V | A | -0.5856 | |
| 427 | P | A | -1.2442 | |
| 428 | R | A | -1.8321 | |
| 429 | V | A | -0.6830 | |
| 430 | N | A | -2.1217 | |
| 431 | R | A | -2.9470 | |
| 432 | K | A | -2.1618 | |
| 433 | T | A | -0.4045 | |
| 434 | L | A | 1.3293 | |
| 435 | L | A | 0.5586 | |
| 436 | D | A | -0.2600 | |
| 437 | T | A | -0.3189 | |
| 438 | Q | A | -0.7473 | |
| 439 | D | A | -0.5932 | |
| 440 | G | A | -0.4894 | |
| 441 | S | A | 0.0000 | |
| 442 | I | A | 0.0000 | |
| 443 | P | A | -0.6027 | |
| 444 | M | A | 0.0000 | |
| 445 | S | A | -1.1666 | |
| 446 | H | A | -1.7485 | |
| 447 | P | A | 0.0000 | |
| 448 | P | A | 0.0000 | |
| 449 | G | A | -0.7729 | |
| 450 | T | A | 0.0000 | |
| 451 | I | A | 0.0000 | |
| 452 | F | A | 0.0000 | |
| 453 | I | A | 0.0000 | |
| 454 | K | A | -0.4748 | |
| 455 | L | A | 0.0000 | |
| 456 | A | A | -0.0986 | |
| 457 | R | A | -0.6279 | |
| 458 | I | A | -0.0422 | |
| 459 | P | A | -0.6623 | |
| 460 | V | A | -0.5178 | |
| 461 | P | A | -1.1006 | |
| 462 | G | A | -1.5674 | |
| 463 | N | A | -2.4028 | |
| 464 | G | A | -2.0917 | |
| 465 | D | A | -2.5756 | |
| 466 | S | A | -1.6038 | |
| 467 | F | A | -0.6243 | |
| 468 | L | A | 0.1646 | |
| 469 | N | A | -0.7156 | |
| 470 | I | A | 0.0000 | |
| 471 | Y | A | -0.5717 | |
| 472 | V | A | 0.0000 | |
| 473 | T | A | -0.4322 | |
| 474 | G | A | 0.0000 | |
| 475 | Q | A | -0.3289 | |
| 476 | V | A | 0.0000 | |
| 477 | S | A | 0.0000 | |
| 478 | C | A | 0.0000 | |
| 479 | E | A | -0.6688 | |
| 480 | V | A | 0.0000 | |
| 481 | V | A | -0.1818 | |
| 482 | W | A | 0.0000 | |
| 483 | E | A | -1.2748 | |
| 484 | V | A | 0.0000 | |
| 485 | E | A | -3.0404 | |
| 486 | K | A | -4.0012 | |
| 487 | R | A | -3.3852 | |
| 488 | G | A | -2.4118 | |
| 489 | T | A | -1.3485 | |
| 490 | K | A | -1.8432 | |
| 491 | N | A | -1.3631 | |
| 492 | W | A | -0.5371 | |
| 493 | R | A | -1.8609 | |
| 494 | P | A | -0.9923 | |
| 495 | E | A | -0.4836 | |
| 496 | Y | A | 0.6564 | |
| 497 | M | A | 0.1747 | |
| 498 | H | A | 0.0000 | |
| 499 | S | A | -0.3666 | |
| 500 | A | A | -0.3709 | |
| 501 | T | A | -0.4760 | |
| 502 | N | A | -1.0286 | |
| 503 | M | A | -0.5843 | |
| 504 | S | A | -0.0724 | |
| 505 | V | A | 1.0672 | |
| 506 | D | A | -0.2461 | |
| 507 | A | A | 0.2153 | |
| 508 | Y | A | 0.4855 | |
| 509 | T | A | 0.9758 | |
| 510 | I | A | 1.5496 | |
| 511 | N | A | -0.5766 | |
| 512 | N | A | -1.1780 | |
| 513 | A | A | -0.2090 | |
| 514 | G | A | 0.3537 | |
| 515 | V | A | 1.7476 | |
| 516 | Y | A | 1.4439 | |
| 517 | A | A | 0.6329 | |
| 518 | G | A | -0.0652 | |
| 519 | A | A | -0.6908 | |
| 520 | V | A | -0.6945 | |
| 521 | Q | A | -1.5139 | |
| 522 | N | A | -1.2152 | |
| 523 | A | A | -0.9222 | |
| 524 | D | A | 0.0000 | |
| 525 | V | A | 0.0000 | |
| 526 | M | A | 0.0000 | |
| 527 | Q | A | 0.0000 | |
| 528 | T | A | 0.0000 | |
| 529 | R | A | 0.0000 | |
| 530 | F | A | 0.0027 | |
| 531 | N | A | 0.0000 | |
| 532 | H | A | 0.0000 | |
| 533 | H | A | 0.1130 | |
| 534 | K | A | 0.5361 | |
| 535 | V | A | 2.3201 | |
| 536 | L | A | 2.4519 |
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 | -0.1941 | 4.0598 | View | CSV | PDB |
| 4.5 | -0.2438 | 4.0612 | View | CSV | PDB |
| 5.0 | -0.3018 | 4.0651 | View | CSV | PDB |
| 5.5 | -0.3598 | 4.0744 | View | CSV | PDB |
| 6.0 | -0.4099 | 4.0911 | View | CSV | PDB |
| 6.5 | -0.4463 | 4.1128 | View | CSV | PDB |
| 7.0 | -0.4695 | 4.134 | View | CSV | PDB |
| 7.5 | -0.4848 | 4.1513 | View | CSV | PDB |
| 8.0 | -0.4952 | 4.1656 | View | CSV | PDB |
| 8.5 | -0.4993 | 4.1784 | View | CSV | PDB |
| 9.0 | -0.4947 | 4.1906 | 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