| Chain sequence(s) |
A: MSDEGPGTGPGNGLGEKGDTSGPEGSGGSGPQRRGGDNHGRGRGRGRGRGGGRPGAPGGSGSGPRHRDGVRRPQKRPSCIGCKGTHGGTGAGAGAGGAGAGGAGAGGGAGAGGGAGGAGGAGGAGAGGGAGAGGGAGGAGGAGAGGGAGAGGGAGGAGAGGGAGGAGGAGAGGGAGAGGGAGGAGAGGGAGGAGGAGAGGGAGAGGAGGAGGAGAGGAGAGGGAGGAGGAGAGGAGAGGAGAGGAGAGGAGGAGAGGAGGAGAGGAGGAGAGGGAGGAGAGGGAGGAGAGGAGGAGAGGAGGAGAGGAGGAGAGGGAGAGGAGAGGGGRGRGGSGGRGRGGSGGRGRGGSGGRRGRGRERARGGSRERARGRGRGRGEKRPRSPSSQSSSSGSPPRRPPPGRRPFFHPVGEADYFEYHQEGGPDGEPDVPPGAIEQGPADDPGEGPSTGPRGQGDGGRRKKGGWFGKHRGQGGSNPKFENIAEGLRALLARSHVERTTDEGTWVAGVFVYGGSKTSLYNLRRGTALAIPQCRLTPLSRLPFGMAPGPGPQPGPLRESIVCYFMVFLQTHIFAEVLKDAIKDLVMTKPAPTCNIRVTVCSFDDGVDLPPWFPPMVEGAAAEGDDGDDGDEGGDGDEGEEGQE
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] (00:00:02)
[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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:08)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:06:42)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/de0686cb4219df1/tmp/folded.pdb (00:06:42)
[INFO] Main: Simulation completed successfully. (00:12:48)
|
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 | 0.2428 | |
| 2 | S | A | -0.9125 | |
| 3 | D | A | -2.8124 | |
| 4 | E | A | -3.0693 | |
| 5 | G | A | -1.9454 | |
| 6 | P | A | -1.3409 | |
| 7 | G | A | -0.8565 | |
| 8 | T | A | -0.6644 | |
| 9 | G | A | -1.0054 | |
| 10 | P | A | -1.1473 | |
| 11 | G | A | -1.3571 | |
| 12 | N | A | -1.5540 | |
| 13 | G | A | -0.5811 | |
| 14 | L | A | 0.3809 | |
| 15 | G | A | -1.0307 | |
| 16 | E | A | -2.6911 | |
| 17 | K | A | -3.3531 | |
| 18 | G | A | -2.6065 | |
| 19 | D | A | -2.4985 | |
| 20 | T | A | -1.2807 | |
| 21 | S | A | -0.9502 | |
| 22 | G | A | -1.0613 | |
| 23 | P | A | -1.5031 | |
| 24 | E | A | -2.2975 | |
| 25 | G | A | -1.5891 | |
| 26 | S | A | -1.1354 | |
| 27 | G | A | -0.9782 | |
| 28 | G | A | -0.9312 | |
| 29 | S | A | -0.8041 | |
| 30 | G | A | -1.0649 | |
| 31 | P | A | -1.4681 | |
| 32 | Q | A | -2.7131 | |
| 33 | R | A | -3.5209 | |
| 34 | R | A | -3.3374 | |
| 35 | G | A | -2.4745 | |
| 36 | G | A | -2.3511 | |
| 37 | D | A | -3.1003 | |
| 38 | N | A | -3.1269 | |
| 39 | H | A | -2.9314 | |
| 40 | G | A | -2.7995 | |
| 41 | R | A | -3.2047 | |
| 42 | G | A | -3.0695 | |
| 43 | R | A | -3.3651 | |
| 44 | G | A | -3.2070 | |
| 45 | R | A | -3.2406 | |
| 46 | G | A | -2.8450 | |
| 47 | R | A | -3.2623 | |
| 48 | G | A | -2.7918 | |
| 49 | R | A | -2.9120 | |
| 50 | G | A | -2.0935 | |
| 51 | G | A | -1.7903 | |
| 52 | G | A | -1.7229 | |
| 53 | R | A | -2.3844 | |
| 54 | P | A | -1.5186 | |
| 55 | G | A | -0.9867 | |
| 56 | A | A | -0.4660 | |
| 57 | P | A | -0.6384 | |
| 58 | G | A | -0.8463 | |
| 59 | G | A | -0.9618 | |
| 60 | S | A | -0.8062 | |
| 61 | G | A | -0.8905 | |
| 62 | S | A | -0.7596 | |
| 63 | G | A | -1.1644 | |
| 64 | P | A | -1.6365 | |
| 65 | R | A | -2.9367 | |
| 66 | H | A | -3.3375 | |
| 67 | R | A | -3.5493 | |
| 68 | D | A | -2.8860 | |
| 69 | G | A | -1.5719 | |
| 70 | V | A | -0.4841 | |
| 71 | R | A | -2.3363 | |
| 72 | R | A | -3.0410 | |
| 73 | P | A | -2.5429 | |
| 74 | Q | A | -3.3608 | |
| 75 | K | A | -3.5833 | |
| 76 | R | A | -3.1819 | |
| 77 | P | A | -1.3758 | |
| 78 | S | A | -0.2047 | |
| 79 | C | A | 1.5910 | |
| 80 | I | A | 2.0697 | |
| 81 | G | A | 0.5400 | |
| 82 | C | A | 0.1304 | |
| 83 | K | A | -1.5936 | |
| 84 | G | A | -1.4988 | |
| 85 | T | A | -1.2117 | |
| 86 | H | A | -1.6981 | |
| 87 | G | A | -1.3446 | |
| 88 | G | A | -1.0397 | |
| 89 | T | A | -0.7506 | |
| 90 | G | A | -0.6651 | |
| 91 | A | A | -0.4886 | |
| 92 | G | A | -0.6097 | |
| 93 | A | A | -0.4563 | |
| 94 | G | A | -0.6576 | |
| 95 | A | A | -0.5251 | |
| 96 | G | A | -0.7899 | |
| 97 | G | A | -0.8262 | |
| 98 | A | A | -0.5726 | |
| 99 | G | A | -0.6241 | |
| 100 | A | A | -0.5424 | |
| 101 | G | A | -0.7587 | |
| 102 | G | A | -0.7403 | |
| 103 | A | A | -0.5076 | |
| 104 | G | A | -0.6071 | |
| 105 | A | A | -0.5643 | |
| 106 | G | A | -0.9262 | |
| 107 | G | A | -0.9731 | |
| 108 | G | A | -0.9278 | |
| 109 | A | A | -0.5170 | |
| 110 | G | A | -0.6061 | |
| 111 | A | A | -0.5265 | |
| 112 | G | A | -0.8949 | |
| 113 | G | A | -0.9251 | |
| 114 | G | A | -0.9017 | |
| 115 | A | A | -0.6373 | |
| 116 | G | A | -0.7912 | |
| 117 | G | A | -0.8295 | |
| 118 | A | A | -0.6212 | |
| 119 | G | A | -0.7921 | |
| 120 | G | A | -0.7851 | |
| 121 | A | A | -0.5906 | |
| 122 | G | A | -0.7753 | |
| 123 | G | A | -0.7895 | |
| 124 | A | A | -0.5045 | |
| 125 | G | A | -0.6103 | |
| 126 | A | A | -0.5070 | |
| 127 | G | A | -0.9091 | |
| 128 | G | A | -0.9343 | |
| 129 | G | A | -0.8620 | |
| 130 | A | A | -0.5845 | |
| 131 | G | A | -0.6767 | |
| 132 | A | A | -0.6342 | |
| 133 | G | A | -0.9039 | |
| 134 | G | A | -0.9999 | |
| 135 | G | A | -0.9406 | |
| 136 | A | A | -0.6939 | |
| 137 | G | A | -0.7948 | |
| 138 | G | A | -0.8419 | |
| 139 | A | A | -0.6247 | |
| 140 | G | A | -0.7401 | |
| 141 | G | A | -0.7536 | |
| 142 | A | A | -0.5050 | |
| 143 | G | A | -0.6119 | |
| 144 | A | A | -0.4693 | |
| 145 | G | A | -0.8557 | |
| 146 | G | A | -0.9876 | |
| 147 | G | A | -0.9159 | |
| 148 | A | A | -0.5793 | |
| 149 | G | A | -0.6668 | |
| 150 | A | A | -0.5721 | |
| 151 | G | A | -0.8563 | |
| 152 | G | A | -0.9798 | |
| 153 | G | A | -0.9186 | |
| 154 | A | A | -0.7209 | |
| 155 | G | A | -0.8202 | |
| 156 | G | A | -0.7399 | |
| 157 | A | A | -0.4706 | |
| 158 | G | A | -0.6599 | |
| 159 | A | A | -0.5102 | |
| 160 | G | A | -0.9204 | |
| 161 | G | A | -0.9849 | |
| 162 | G | A | -0.9320 | |
| 163 | A | A | -0.6713 | |
| 164 | G | A | -0.7627 | |
| 165 | G | A | -0.8085 | |
| 166 | A | A | -0.5940 | |
| 167 | G | A | -0.8355 | |
| 168 | G | A | -0.7843 | |
| 169 | A | A | -0.5770 | |
| 170 | G | A | -0.6607 | |
| 171 | A | A | -0.5184 | |
| 172 | G | A | -0.8519 | |
| 173 | G | A | -0.9293 | |
| 174 | G | A | -0.9027 | |
| 175 | A | A | -0.4781 | |
| 176 | G | A | -0.6021 | |
| 177 | A | A | -0.4740 | |
| 178 | G | A | -0.8555 | |
| 179 | G | A | -0.8936 | |
| 180 | G | A | -0.8521 | |
| 181 | A | A | -0.5898 | |
| 182 | G | A | -0.7769 | |
| 183 | G | A | -0.7746 | |
| 184 | A | A | -0.5834 | |
| 185 | G | A | -0.6779 | |
| 186 | A | A | -0.6462 | |
| 187 | G | A | -0.8783 | |
| 188 | G | A | -1.0241 | |
| 189 | G | A | -0.9532 | |
| 190 | A | A | -0.6442 | |
| 191 | G | A | -0.8380 | |
| 192 | G | A | -0.8313 | |
| 193 | A | A | -0.6141 | |
| 194 | G | A | -0.7771 | |
| 195 | G | A | -0.7724 | |
| 196 | A | A | -0.4679 | |
| 197 | G | A | -0.6016 | |
| 198 | A | A | -0.5030 | |
| 199 | G | A | -0.8640 | |
| 200 | G | A | -0.8913 | |
| 201 | G | A | -0.8585 | |
| 202 | A | A | -0.4740 | |
| 203 | G | A | -0.6111 | |
| 204 | A | A | -0.5069 | |
| 205 | G | A | -0.7583 | |
| 206 | G | A | -0.7953 | |
| 207 | A | A | -0.6324 | |
| 208 | G | A | -0.8525 | |
| 209 | G | A | -0.9097 | |
| 210 | A | A | -0.6748 | |
| 211 | G | A | -0.9116 | |
| 212 | G | A | -0.8400 | |
| 213 | A | A | -0.5982 | |
| 214 | G | A | -0.7504 | |
| 215 | A | A | -0.6076 | |
| 216 | G | A | -0.8024 | |
| 217 | G | A | -0.8472 | |
| 218 | A | A | -0.5657 | |
| 219 | G | A | -0.6096 | |
| 220 | A | A | -0.5220 | |
| 221 | G | A | -0.8558 | |
| 222 | G | A | -0.9359 | |
| 223 | G | A | -0.9113 | |
| 224 | A | A | -0.5913 | |
| 225 | G | A | -0.7500 | |
| 226 | G | A | -0.7450 | |
| 227 | A | A | -0.5963 | |
| 228 | G | A | -0.7524 | |
| 229 | G | A | -0.7644 | |
| 230 | A | A | -0.4755 | |
| 231 | G | A | -0.7304 | |
| 232 | A | A | -0.6183 | |
| 233 | G | A | -0.8482 | |
| 234 | G | A | -0.7797 | |
| 235 | A | A | -0.4757 | |
| 236 | G | A | -0.5945 | |
| 237 | A | A | -0.5193 | |
| 238 | G | A | -0.7860 | |
| 239 | G | A | -0.7790 | |
| 240 | A | A | -0.5761 | |
| 241 | G | A | -0.6742 | |
| 242 | A | A | -0.5534 | |
| 243 | G | A | -0.8412 | |
| 244 | G | A | -0.8306 | |
| 245 | A | A | -0.5269 | |
| 246 | G | A | -0.7038 | |
| 247 | A | A | -0.5672 | |
| 248 | G | A | -0.7855 | |
| 249 | G | A | -0.8767 | |
| 250 | A | A | -0.6455 | |
| 251 | G | A | -0.8458 | |
| 252 | G | A | -0.8515 | |
| 253 | A | A | -0.5245 | |
| 254 | G | A | -0.6533 | |
| 255 | A | A | -0.4810 | |
| 256 | G | A | -0.7947 | |
| 257 | G | A | -0.8538 | |
| 258 | A | A | -0.7399 | |
| 259 | G | A | -0.8899 | |
| 260 | G | A | -0.7922 | |
| 261 | A | A | -0.4759 | |
| 262 | G | A | -0.6545 | |
| 263 | A | A | -0.4842 | |
| 264 | G | A | -0.7560 | |
| 265 | G | A | -0.8027 | |
| 266 | A | A | -0.6130 | |
| 267 | G | A | -0.7579 | |
| 268 | G | A | -0.7607 | |
| 269 | A | A | -0.5008 | |
| 270 | G | A | -0.5986 | |
| 271 | A | A | -0.4996 | |
| 272 | G | A | -0.8570 | |
| 273 | G | A | -0.9745 | |
| 274 | G | A | -0.9102 | |
| 275 | A | A | -0.6668 | |
| 276 | G | A | -0.8117 | |
| 277 | G | A | -0.7440 | |
| 278 | A | A | -0.5209 | |
| 279 | G | A | -0.6054 | |
| 280 | A | A | -0.5126 | |
| 281 | G | A | -0.8638 | |
| 282 | G | A | -0.8936 | |
| 283 | G | A | -0.8582 | |
| 284 | A | A | -0.5853 | |
| 285 | G | A | -0.7477 | |
| 286 | G | A | -0.7651 | |
| 287 | A | A | -0.4808 | |
| 288 | G | A | -0.6194 | |
| 289 | A | A | -0.4888 | |
| 290 | G | A | -0.7987 | |
| 291 | G | A | -0.8079 | |
| 292 | A | A | -0.6747 | |
| 293 | G | A | -0.8874 | |
| 294 | G | A | -0.8342 | |
| 295 | A | A | -0.5523 | |
| 296 | G | A | -0.6629 | |
| 297 | A | A | -0.4687 | |
| 298 | G | A | -0.7415 | |
| 299 | G | A | -0.7543 | |
| 300 | A | A | -0.6082 | |
| 301 | G | A | -0.8008 | |
| 302 | G | A | -0.7603 | |
| 303 | A | A | -0.5734 | |
| 304 | G | A | -0.6843 | |
| 305 | A | A | -0.5892 | |
| 306 | G | A | -0.7433 | |
| 307 | G | A | -0.8049 | |
| 308 | A | A | -0.6707 | |
| 309 | G | A | -0.7908 | |
| 310 | G | A | -0.8371 | |
| 311 | A | A | -0.5118 | |
| 312 | G | A | -0.6576 | |
| 313 | A | A | -0.5351 | |
| 314 | G | A | -0.9064 | |
| 315 | G | A | -1.0671 | |
| 316 | G | A | -0.9149 | |
| 317 | A | A | -0.5717 | |
| 318 | G | A | -0.7271 | |
| 319 | A | A | -0.5744 | |
| 320 | G | A | -0.8615 | |
| 321 | G | A | -0.8540 | |
| 322 | A | A | -0.5353 | |
| 323 | G | A | -0.7103 | |
| 324 | A | A | -0.4899 | |
| 325 | G | A | -0.9659 | |
| 326 | G | A | -1.0970 | |
| 327 | G | A | -1.4330 | |
| 328 | G | A | -1.8509 | |
| 329 | R | A | -2.7777 | |
| 330 | G | A | -2.5079 | |
| 331 | R | A | -2.7870 | |
| 332 | G | A | -1.8302 | |
| 333 | G | A | -1.3419 | |
| 334 | S | A | -0.9108 | |
| 335 | G | A | -1.4009 | |
| 336 | G | A | -1.8332 | |
| 337 | R | A | -2.8471 | |
| 338 | G | A | -2.6298 | |
| 339 | R | A | -2.8116 | |
| 340 | G | A | -1.7807 | |
| 341 | G | A | -1.3487 | |
| 342 | S | A | -0.8765 | |
| 343 | G | A | -1.3693 | |
| 344 | G | A | -1.7630 | |
| 345 | R | A | -2.8726 | |
| 346 | G | A | -2.6473 | |
| 347 | R | A | -2.8420 | |
| 348 | G | A | -1.8185 | |
| 349 | G | A | -1.3441 | |
| 350 | S | A | -0.8771 | |
| 351 | G | A | -1.3963 | |
| 352 | G | A | -2.0462 | |
| 353 | R | A | -3.1683 | |
| 354 | R | A | -3.4777 | |
| 355 | G | A | -2.6975 | |
| 356 | R | A | -3.1162 | |
| 357 | G | A | -2.9508 | |
| 358 | R | A | -3.7900 | |
| 359 | E | A | -3.7464 | |
| 360 | R | A | -3.5351 | |
| 361 | A | A | -2.2407 | |
| 362 | R | A | -2.5703 | |
| 363 | G | A | -1.7680 | |
| 364 | G | A | -1.5889 | |
| 365 | S | A | -1.8358 | |
| 366 | R | A | -3.4979 | |
| 367 | E | A | -3.7963 | |
| 368 | R | A | -3.4623 | |
| 369 | A | A | -2.3009 | |
| 370 | R | A | -2.9059 | |
| 371 | G | A | -2.6865 | |
| 372 | R | A | -3.1745 | |
| 373 | G | A | -2.8867 | |
| 374 | R | A | -3.2182 | |
| 375 | G | A | -2.6073 | |
| 376 | R | A | -3.1199 | |
| 377 | G | A | -3.1669 | |
| 378 | E | A | -3.7818 | |
| 379 | K | A | -3.9686 | |
| 380 | R | A | -3.7506 | |
| 381 | P | A | -2.4771 | |
| 382 | R | A | -2.7678 | |
| 383 | S | A | -1.3809 | |
| 384 | P | A | -0.8856 | |
| 385 | S | A | -0.9580 | |
| 386 | S | A | -1.0514 | |
| 387 | Q | A | -1.5109 | |
| 388 | S | A | -1.0484 | |
| 389 | S | A | -0.8071 | |
| 390 | S | A | -0.6425 | |
| 391 | S | A | -0.7179 | |
| 392 | G | A | -0.8357 | |
| 393 | S | A | -0.6846 | |
| 394 | P | A | -1.0083 | |
| 395 | P | A | -1.7826 | |
| 396 | R | A | -3.0052 | |
| 397 | R | A | -3.0241 | |
| 398 | P | A | -2.0472 | |
| 399 | P | A | -1.6119 | |
| 400 | P | A | -1.5110 | |
| 401 | G | A | -2.0749 | |
| 402 | R | A | -2.8945 | |
| 403 | R | A | -2.2406 | |
| 404 | P | A | -0.5264 | |
| 405 | F | A | 1.2805 | |
| 406 | F | A | 1.7375 | |
| 407 | H | A | 0.4888 | |
| 408 | P | A | 0.4751 | |
| 409 | V | A | 0.6652 | |
| 410 | G | A | -0.8997 | |
| 411 | E | A | -1.9608 | |
| 412 | A | A | -1.2576 | |
| 413 | D | A | -0.9103 | |
| 414 | Y | A | 1.0266 | |
| 415 | F | A | 1.5229 | |
| 416 | E | A | -0.1665 | |
| 417 | Y | A | -0.0016 | |
| 418 | H | A | -1.5808 | |
| 419 | Q | A | -2.3279 | |
| 420 | E | A | -2.8997 | |
| 421 | G | A | -1.8418 | |
| 422 | G | A | -1.5935 | |
| 423 | P | A | -1.5576 | |
| 424 | D | A | -2.6086 | |
| 425 | G | A | -2.4869 | |
| 426 | E | A | -2.8943 | |
| 427 | P | A | -1.7563 | |
| 428 | D | A | -1.5525 | |
| 429 | V | A | 0.6080 | |
| 430 | P | A | -0.0466 | |
| 431 | P | A | -0.0978 | |
| 432 | G | A | -0.1520 | |
| 433 | A | A | 0.0842 | |
| 434 | I | A | 0.7305 | |
| 435 | E | A | -1.5651 | |
| 436 | Q | A | -1.8814 | |
| 437 | G | A | -1.5795 | |
| 438 | P | A | -1.6084 | |
| 439 | A | A | -1.9861 | |
| 440 | D | A | -3.0651 | |
| 441 | D | A | -3.3288 | |
| 442 | P | A | -2.5660 | |
| 443 | G | A | -2.3663 | |
| 444 | E | A | -2.9145 | |
| 445 | G | A | -1.5998 | |
| 446 | P | A | -1.2329 | |
| 447 | S | A | -1.0704 | |
| 448 | T | A | -0.7957 | |
| 449 | G | A | -1.2175 | |
| 450 | P | A | -1.6333 | |
| 451 | R | A | -2.5587 | |
| 452 | G | A | -2.1871 | |
| 453 | Q | A | -2.4100 | |
| 454 | G | A | -2.5737 | |
| 455 | D | A | -3.4407 | |
| 456 | G | A | -4.1513 | |
| 457 | G | A | -4.3021 | |
| 458 | R | A | -4.9640 | |
| 459 | R | A | -5.1051 | |
| 460 | K | A | -4.1834 | |
| 461 | K | A | -3.5482 | |
| 462 | G | A | -2.1774 | |
| 463 | G | A | -1.1514 | |
| 464 | W | A | 0.4373 | |
| 465 | F | A | 0.7748 | |
| 466 | G | A | -1.2130 | |
| 467 | K | A | -2.7195 | |
| 468 | H | A | -3.2533 | |
| 469 | R | A | -3.0570 | |
| 470 | G | A | -2.7655 | |
| 471 | Q | A | -2.8224 | |
| 472 | G | A | -2.4407 | |
| 473 | G | A | -1.5575 | |
| 474 | S | A | -1.6701 | |
| 475 | N | A | -2.2116 | |
| 476 | P | A | -2.2154 | |
| 477 | K | A | -2.6444 | |
| 478 | F | A | -2.2062 | |
| 479 | E | A | -3.1932 | |
| 480 | N | A | -3.3154 | |
| 481 | I | A | 0.0000 | |
| 482 | A | A | 0.0000 | |
| 483 | E | A | -3.0242 | |
| 484 | G | A | -2.0816 | |
| 485 | L | A | 0.0000 | |
| 486 | R | A | -2.2313 | |
| 487 | A | A | -1.4797 | |
| 488 | L | A | -1.4732 | |
| 489 | L | A | 0.0000 | |
| 490 | A | A | -1.3426 | |
| 491 | R | A | -2.1367 | |
| 492 | S | A | -1.4440 | |
| 493 | H | A | -1.8582 | |
| 494 | V | A | -1.1169 | |
| 495 | E | A | -2.1102 | |
| 496 | R | A | -1.9545 | |
| 497 | T | A | 0.0000 | |
| 498 | T | A | -2.1849 | |
| 499 | D | A | -3.0263 | |
| 500 | E | A | -2.9228 | |
| 501 | G | A | -1.8110 | |
| 502 | T | A | -1.0936 | |
| 503 | W | A | 0.0000 | |
| 504 | V | A | -0.3989 | |
| 505 | A | A | 0.0000 | |
| 506 | G | A | 0.0000 | |
| 507 | V | A | 0.0000 | |
| 508 | F | A | 0.2783 | |
| 509 | V | A | 0.0000 | |
| 510 | Y | A | -0.6019 | |
| 511 | G | A | 0.0000 | |
| 512 | G | A | -0.7073 | |
| 513 | S | A | -0.7763 | |
| 514 | K | A | -1.4107 | |
| 515 | T | A | -0.8515 | |
| 516 | S | A | 0.0000 | |
| 517 | L | A | 0.0000 | |
| 518 | Y | A | -0.1983 | |
| 519 | N | A | -0.8931 | |
| 520 | L | A | 0.0000 | |
| 521 | R | A | -0.2209 | |
| 522 | R | A | -0.9614 | |
| 523 | G | A | 0.0000 | |
| 524 | T | A | 0.0000 | |
| 525 | A | A | 0.1120 | |
| 526 | L | A | -0.0725 | |
| 527 | A | A | 0.0000 | |
| 528 | I | A | 0.0000 | |
| 529 | P | A | 0.0693 | |
| 530 | Q | A | -0.9416 | |
| 531 | C | A | 0.0000 | |
| 532 | R | A | 0.0199 | |
| 533 | L | A | 0.0000 | |
| 534 | T | A | 0.0592 | |
| 535 | P | A | -0.0135 | |
| 536 | L | A | -0.0924 | |
| 537 | S | A | -0.8937 | |
| 538 | R | A | -0.8938 | |
| 539 | L | A | 0.3000 | |
| 540 | P | A | 0.3102 | |
| 541 | F | A | 1.3569 | |
| 542 | G | A | 0.4618 | |
| 543 | M | A | 1.2095 | |
| 544 | A | A | 0.4882 | |
| 545 | P | A | 0.0393 | |
| 546 | G | A | -0.7154 | |
| 547 | P | A | -0.9372 | |
| 548 | G | A | -1.1950 | |
| 549 | P | A | -1.2834 | |
| 550 | Q | A | -1.7389 | |
| 551 | P | A | -0.9667 | |
| 552 | G | A | -0.9675 | |
| 553 | P | A | -0.6766 | |
| 554 | L | A | 0.1418 | |
| 555 | R | A | -1.4175 | |
| 556 | E | A | -1.5969 | |
| 557 | S | A | 0.0000 | |
| 558 | I | A | 1.1977 | |
| 559 | V | A | 0.4240 | |
| 560 | C | A | 0.0000 | |
| 561 | Y | A | 0.0665 | |
| 562 | F | A | 0.0000 | |
| 563 | M | A | 0.3326 | |
| 564 | V | A | 0.0000 | |
| 565 | F | A | 0.0000 | |
| 566 | L | A | 0.0000 | |
| 567 | Q | A | 0.0000 | |
| 568 | T | A | -0.1251 | |
| 569 | H | A | 0.2171 | |
| 570 | I | A | 1.1959 | |
| 571 | F | A | 0.0000 | |
| 572 | A | A | 0.0000 | |
| 573 | E | A | -0.1579 | |
| 574 | V | A | -0.2951 | |
| 575 | L | A | 0.0000 | |
| 576 | K | A | -1.1347 | |
| 577 | D | A | -1.8634 | |
| 578 | A | A | 0.0000 | |
| 579 | I | A | 0.0000 | |
| 580 | K | A | -1.9845 | |
| 581 | D | A | -2.1061 | |
| 582 | L | A | 0.0000 | |
| 583 | V | A | 0.0000 | |
| 584 | M | A | -0.0248 | |
| 585 | T | A | -0.3024 | |
| 586 | K | A | -0.2861 | |
| 587 | P | A | -0.2781 | |
| 588 | A | A | -0.3547 | |
| 589 | P | A | -0.8788 | |
| 590 | T | A | -0.6530 | |
| 591 | C | A | -0.8388 | |
| 592 | N | A | -1.5939 | |
| 593 | I | A | 0.0000 | |
| 594 | R | A | -2.0965 | |
| 595 | V | A | -1.0200 | |
| 596 | T | A | -0.3509 | |
| 597 | V | A | 0.2401 | |
| 598 | C | A | 0.0922 | |
| 599 | S | A | -0.5416 | |
| 600 | F | A | -0.8814 | |
| 601 | D | A | -2.3064 | |
| 602 | D | A | -2.5965 | |
| 603 | G | A | -1.3352 | |
| 604 | V | A | -0.8312 | |
| 605 | D | A | -1.7265 | |
| 606 | L | A | -0.4291 | |
| 607 | P | A | -0.0462 | |
| 608 | P | A | 0.2780 | |
| 609 | W | A | 1.3839 | |
| 610 | F | A | 0.7189 | |
| 611 | P | A | 0.8527 | |
| 612 | P | A | 0.5260 | |
| 613 | M | A | 1.3185 | |
| 614 | V | A | 0.9567 | |
| 615 | E | A | -1.1018 | |
| 616 | G | A | -1.1009 | |
| 617 | A | A | -0.3670 | |
| 618 | A | A | -0.4357 | |
| 619 | A | A | -1.1923 | |
| 620 | E | A | -2.3911 | |
| 621 | G | A | -2.8109 | |
| 622 | D | A | -3.4167 | |
| 623 | D | A | -3.5654 | |
| 624 | G | A | -3.7284 | |
| 625 | D | A | -4.8309 | |
| 626 | D | A | -5.1197 | |
| 627 | G | A | -4.4791 | |
| 628 | D | A | -4.3686 | |
| 629 | E | A | -3.3916 | |
| 630 | G | A | -2.4198 | |
| 631 | G | A | -2.0713 | |
| 632 | D | A | -3.0468 | |
| 633 | G | A | -3.0650 | |
| 634 | D | A | -3.6974 | |
| 635 | E | A | -3.8917 | |
| 636 | G | A | -3.4336 | |
| 637 | E | A | -3.9292 | |
| 638 | E | A | -3.8229 | |
| 639 | G | A | -2.9124 | |
| 640 | Q | A | -3.0081 | |
| 641 | E | A | -2.7074 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.3207 | 5.313 | View | CSV | PDB |
| 4.5 | -0.3696 | 5.313 | View | CSV | PDB |
| 5.0 | -0.4311 | 5.313 | View | CSV | PDB |
| 5.5 | -0.4952 | 5.313 | View | CSV | PDB |
| 6.0 | -0.5521 | 5.313 | View | CSV | PDB |
| 6.5 | -0.5955 | 5.313 | View | CSV | PDB |
| 7.0 | -0.6251 | 5.313 | View | CSV | PDB |
| 7.5 | -0.6456 | 5.313 | View | CSV | PDB |
| 8.0 | -0.6612 | 5.313 | View | CSV | PDB |
| 8.5 | -0.6721 | 5.313 | View | CSV | PDB |
| 9.0 | -0.6761 | 5.313 | 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