| Chain sequence(s) |
A: MDPSIFKLLEEDEDESMHSGADVDAFQAALNRDIEGSMTTSIPHVTNPGNNHSSRQQFSTWKNGIGDSNINVQTQHSLESTQMKEQEGSTLENQHQHDLKRANEPHLQHNQPQDLHRAGQLWENPSQVPQSTGLPISEKNPTGNESDRSHNQESESQYMKLQKMSSQQARGVEPPVNPMNVNPINRNPKQVPFAALLPTLMNQLDKDRALQLRTLYARLKKNEIPKEGFTRHMKDIVGDQMLRMAVSKLQQVNYNQGKIGIQAPSTEINNQKSQSDPRAVHLNQLPSSASGTLGSSVPVQGLTKHPQHQMQHPPSSFPMYTTSGSFHSFPGPNTNASGSTLRPHLHDSHMRHVAHNQPMGSTGLGGPPQSTTNMMTMPKFERPSSVNDPSRVQGGATSHFQNSSSLPLNSAPGQGSSVSHVKQESVDQSFEKNNAASMTSNEDLEKESSRMVLSTPNNMAPASSVSPSMTTQLDASTTMNSRGPLGTSQGGANARMPPKKPSVGQKKPLETLGSSPPPPSKKQKVAGNSMDQSIEQLNDVTAVSGVNLREEEEQLFSGAKEDGRVSEASRRVVHEEEERLILQKNPLQRKLAEIMAKAGLKQISNDVERCLSLCVEERMRGLLSHIIRLSKQRVDAEKSRHRTFITSDIRLQINEMNQKVKEEWEKKQAEAEKLKKPSESEEGDGGVDSEKDKEDNRSKGVKGNKEDDDKMRTTAANVAARAAVGGDDAFLKWQLMAEARQKSVSEAGKDGNQKTTSGGGKNSKDRQDGGRRFSGTESSCGVGIVYRVSSSRFWFAMMSFGFLFAGGRRVGKNQGSSLQPKVVRTISVKDVVAVLEREPQMSKSTLMYRLIQ
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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:14)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/13f70c180943911/tmp/folded.pdb (00:10:14)
[INFO] Main: Simulation completed successfully. (00:13:31)
|
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 | 0.3919 | |
| 2 | D | A | -0.6408 | |
| 3 | P | A | -0.1634 | |
| 4 | S | A | 0.3901 | |
| 5 | I | A | 2.2007 | |
| 6 | F | A | 2.0358 | |
| 7 | K | A | -0.0120 | |
| 8 | L | A | 1.2000 | |
| 9 | L | A | 0.5378 | |
| 10 | E | A | -2.4719 | |
| 11 | E | A | -3.8222 | |
| 12 | D | A | -4.0804 | |
| 13 | E | A | -4.6039 | |
| 14 | D | A | -4.1886 | |
| 15 | E | A | -3.1801 | |
| 16 | S | A | -1.5174 | |
| 17 | M | A | -0.6331 | |
| 18 | H | A | -1.0330 | |
| 19 | S | A | -0.9645 | |
| 20 | G | A | -0.8093 | |
| 21 | A | A | -1.1079 | |
| 22 | D | A | -1.3952 | |
| 23 | V | A | 0.0920 | |
| 24 | D | A | -1.2429 | |
| 25 | A | A | -0.3158 | |
| 26 | F | A | 0.8862 | |
| 27 | Q | A | -0.8752 | |
| 28 | A | A | -0.9071 | |
| 29 | A | A | -0.6801 | |
| 30 | L | A | -0.7316 | |
| 31 | N | A | -1.8849 | |
| 32 | R | A | -3.0280 | |
| 33 | D | A | -2.5091 | |
| 34 | I | A | -0.5115 | |
| 35 | E | A | -2.2137 | |
| 36 | G | A | -1.8303 | |
| 37 | S | A | -0.6778 | |
| 38 | M | A | 0.3652 | |
| 39 | T | A | 0.1259 | |
| 40 | T | A | 0.4040 | |
| 41 | S | A | 0.6468 | |
| 42 | I | A | 1.6955 | |
| 43 | P | A | 0.6289 | |
| 44 | H | A | 0.1299 | |
| 45 | V | A | 1.1569 | |
| 46 | T | A | -0.1697 | |
| 47 | N | A | -1.3659 | |
| 48 | P | A | -1.3860 | |
| 49 | G | A | -1.9898 | |
| 50 | N | A | -2.5598 | |
| 51 | N | A | -2.5910 | |
| 52 | H | A | -2.1710 | |
| 53 | S | A | -1.5312 | |
| 54 | S | A | -1.6662 | |
| 55 | R | A | -2.6380 | |
| 56 | Q | A | -2.3488 | |
| 57 | Q | A | -1.2470 | |
| 58 | F | A | 0.8988 | |
| 59 | S | A | 0.3195 | |
| 60 | T | A | 0.1101 | |
| 61 | W | A | 0.1432 | |
| 62 | K | A | -1.6892 | |
| 63 | N | A | -1.6056 | |
| 64 | G | A | -0.7051 | |
| 65 | I | A | 0.6002 | |
| 66 | G | A | -0.9013 | |
| 67 | D | A | -1.8085 | |
| 68 | S | A | -1.2462 | |
| 69 | N | A | -1.1318 | |
| 70 | I | A | 0.7706 | |
| 71 | N | A | -0.1447 | |
| 72 | V | A | 0.7632 | |
| 73 | Q | A | -0.9705 | |
| 74 | T | A | -1.1484 | |
| 75 | Q | A | -1.7344 | |
| 76 | H | A | -1.4693 | |
| 77 | S | A | -0.6852 | |
| 78 | L | A | 0.1073 | |
| 79 | E | A | -1.2008 | |
| 80 | S | A | -1.1101 | |
| 81 | T | A | -0.9710 | |
| 82 | Q | A | -1.1680 | |
| 83 | M | A | -0.8771 | |
| 84 | K | A | -2.4658 | |
| 85 | E | A | -3.4202 | |
| 86 | Q | A | -3.4855 | |
| 87 | E | A | -3.0663 | |
| 88 | G | A | -1.8420 | |
| 89 | S | A | -0.6041 | |
| 90 | T | A | -0.1366 | |
| 91 | L | A | 0.1383 | |
| 92 | E | A | -1.7960 | |
| 93 | N | A | -2.7007 | |
| 94 | Q | A | -2.9632 | |
| 95 | H | A | -2.9215 | |
| 96 | Q | A | -3.0365 | |
| 97 | H | A | -2.4295 | |
| 98 | D | A | -2.3067 | |
| 99 | L | A | -0.7498 | |
| 100 | K | A | -2.3945 | |
| 101 | R | A | -2.6866 | |
| 102 | A | A | -2.3707 | |
| 103 | N | A | -2.8713 | |
| 104 | E | A | -2.6612 | |
| 105 | P | A | -1.7496 | |
| 106 | H | A | -1.2083 | |
| 107 | L | A | -0.0318 | |
| 108 | Q | A | -1.3748 | |
| 109 | H | A | -2.0990 | |
| 110 | N | A | -2.8073 | |
| 111 | Q | A | -2.6680 | |
| 112 | P | A | -1.9270 | |
| 113 | Q | A | -2.3034 | |
| 114 | D | A | -2.0308 | |
| 115 | L | A | -0.4285 | |
| 116 | H | A | -1.4982 | |
| 117 | R | A | -1.7716 | |
| 118 | A | A | -1.0997 | |
| 119 | G | A | -1.1141 | |
| 120 | Q | A | -0.6241 | |
| 121 | L | A | 1.0771 | |
| 122 | W | A | 0.5430 | |
| 123 | E | A | -1.6856 | |
| 124 | N | A | -2.2087 | |
| 125 | P | A | -1.6287 | |
| 126 | S | A | -0.8616 | |
| 127 | Q | A | -0.6962 | |
| 128 | V | A | 0.7473 | |
| 129 | P | A | -0.3004 | |
| 130 | Q | A | -1.0222 | |
| 131 | S | A | -0.9819 | |
| 132 | T | A | -0.3367 | |
| 133 | G | A | 0.2910 | |
| 134 | L | A | 1.5375 | |
| 135 | P | A | 1.2934 | |
| 136 | I | A | 1.7495 | |
| 137 | S | A | -0.5430 | |
| 138 | E | A | -2.7939 | |
| 139 | K | A | -3.4405 | |
| 140 | N | A | -2.6342 | |
| 141 | P | A | -1.4106 | |
| 142 | T | A | -1.0101 | |
| 143 | G | A | -1.5345 | |
| 144 | N | A | -2.5451 | |
| 145 | E | A | -3.0874 | |
| 146 | S | A | -2.7779 | |
| 147 | D | A | -3.3237 | |
| 148 | R | A | -3.1590 | |
| 149 | S | A | -2.3977 | |
| 150 | H | A | -2.5963 | |
| 151 | N | A | -2.9074 | |
| 152 | Q | A | -3.2763 | |
| 153 | E | A | -3.6729 | |
| 154 | S | A | -2.5436 | |
| 155 | E | A | -2.6107 | |
| 156 | S | A | -1.7603 | |
| 157 | Q | A | -1.5329 | |
| 158 | Y | A | 0.4147 | |
| 159 | M | A | -0.0543 | |
| 160 | K | A | -1.3469 | |
| 161 | L | A | 0.2164 | |
| 162 | Q | A | -1.1881 | |
| 163 | K | A | -1.6906 | |
| 164 | M | A | -0.3254 | |
| 165 | S | A | -0.5693 | |
| 166 | S | A | -1.3020 | |
| 167 | Q | A | -1.9684 | |
| 168 | Q | A | -2.2446 | |
| 169 | A | A | -1.9809 | |
| 170 | R | A | -2.1230 | |
| 171 | G | A | -0.8588 | |
| 172 | V | A | 0.1934 | |
| 173 | E | A | -1.1861 | |
| 174 | P | A | -0.5680 | |
| 175 | P | A | -0.1924 | |
| 176 | V | A | 0.9296 | |
| 177 | N | A | -0.3824 | |
| 178 | P | A | -0.1291 | |
| 179 | M | A | 0.4192 | |
| 180 | N | A | -0.2312 | |
| 181 | V | A | 0.6629 | |
| 182 | N | A | -0.3666 | |
| 183 | P | A | -0.1369 | |
| 184 | I | A | 0.4510 | |
| 185 | N | A | -1.5506 | |
| 186 | R | A | -3.2196 | |
| 187 | N | A | -3.1845 | |
| 188 | P | A | -2.6322 | |
| 189 | K | A | -3.0116 | |
| 190 | Q | A | -2.5978 | |
| 191 | V | A | -0.9192 | |
| 192 | P | A | -0.3252 | |
| 193 | F | A | 0.2341 | |
| 194 | A | A | 0.3129 | |
| 195 | A | A | 0.2977 | |
| 196 | L | A | 0.0000 | |
| 197 | L | A | -0.2558 | |
| 198 | P | A | -0.6338 | |
| 199 | T | A | -0.5396 | |
| 200 | L | A | 0.0000 | |
| 201 | M | A | -1.3163 | |
| 202 | N | A | -1.8368 | |
| 203 | Q | A | -1.6433 | |
| 204 | L | A | -1.7258 | |
| 205 | D | A | -2.7745 | |
| 206 | K | A | -3.1914 | |
| 207 | D | A | -3.0888 | |
| 208 | R | A | -2.7691 | |
| 209 | A | A | -2.1397 | |
| 210 | L | A | -0.9977 | |
| 211 | Q | A | -1.7843 | |
| 212 | L | A | 0.0000 | |
| 213 | R | A | -2.0090 | |
| 214 | T | A | -1.4044 | |
| 215 | L | A | 0.0000 | |
| 216 | Y | A | -1.9560 | |
| 217 | A | A | -2.5834 | |
| 218 | R | A | -3.6878 | |
| 219 | L | A | 0.0000 | |
| 220 | K | A | -3.8206 | |
| 221 | K | A | -4.1631 | |
| 222 | N | A | -4.0536 | |
| 223 | E | A | -3.8606 | |
| 224 | I | A | -2.8417 | |
| 225 | P | A | -2.8075 | |
| 226 | K | A | -3.3895 | |
| 227 | E | A | -3.2955 | |
| 228 | G | A | -2.5099 | |
| 229 | F | A | 0.0000 | |
| 230 | T | A | -2.6675 | |
| 231 | R | A | -3.8766 | |
| 232 | H | A | -2.8708 | |
| 233 | M | A | 0.0000 | |
| 234 | K | A | -3.5581 | |
| 235 | D | A | -3.2445 | |
| 236 | I | A | -2.2092 | |
| 237 | V | A | 0.0000 | |
| 238 | G | A | -2.4775 | |
| 239 | D | A | -3.5927 | |
| 240 | Q | A | -2.5842 | |
| 241 | M | A | -1.4997 | |
| 242 | L | A | -1.9303 | |
| 243 | R | A | -2.4921 | |
| 244 | M | A | -1.0504 | |
| 245 | A | A | 0.0000 | |
| 246 | V | A | -0.9090 | |
| 247 | S | A | -1.0132 | |
| 248 | K | A | -1.5425 | |
| 249 | L | A | -0.3218 | |
| 250 | Q | A | -1.1613 | |
| 251 | Q | A | -1.1760 | |
| 252 | V | A | 0.0178 | |
| 253 | N | A | -1.0633 | |
| 254 | Y | A | -0.1785 | |
| 255 | N | A | -0.8810 | |
| 256 | Q | A | -1.4466 | |
| 257 | G | A | -1.2595 | |
| 258 | K | A | -1.1588 | |
| 259 | I | A | 0.7436 | |
| 260 | G | A | 0.5993 | |
| 261 | I | A | 1.3749 | |
| 262 | Q | A | 0.0763 | |
| 263 | A | A | -0.2644 | |
| 264 | P | A | -0.6055 | |
| 265 | S | A | -0.7142 | |
| 266 | T | A | -0.7363 | |
| 267 | E | A | -1.1731 | |
| 268 | I | A | 0.1828 | |
| 269 | N | A | -1.4563 | |
| 270 | N | A | -2.4534 | |
| 271 | Q | A | -3.0617 | |
| 272 | K | A | -2.9890 | |
| 273 | S | A | -2.1496 | |
| 274 | Q | A | -2.1812 | |
| 275 | S | A | -1.9223 | |
| 276 | D | A | -2.6586 | |
| 277 | P | A | -2.0024 | |
| 278 | R | A | -1.8972 | |
| 279 | A | A | -0.3799 | |
| 280 | V | A | 1.2689 | |
| 281 | H | A | 0.3010 | |
| 282 | L | A | 0.5967 | |
| 283 | N | A | -0.9267 | |
| 284 | Q | A | -0.8223 | |
| 285 | L | A | 0.6524 | |
| 286 | P | A | 0.0985 | |
| 287 | S | A | -0.1190 | |
| 288 | S | A | -0.3838 | |
| 289 | A | A | -0.2902 | |
| 290 | S | A | -0.3028 | |
| 291 | G | A | -0.2838 | |
| 292 | T | A | 0.3283 | |
| 293 | L | A | 1.0745 | |
| 294 | G | A | 0.1742 | |
| 295 | S | A | 0.1656 | |
| 296 | S | A | 0.4643 | |
| 297 | V | A | 1.8579 | |
| 298 | P | A | 1.1214 | |
| 299 | V | A | 1.3497 | |
| 300 | Q | A | -0.2930 | |
| 301 | G | A | 0.1367 | |
| 302 | L | A | 0.6701 | |
| 303 | T | A | -0.4754 | |
| 304 | K | A | -1.9687 | |
| 305 | H | A | -2.1902 | |
| 306 | P | A | -1.8734 | |
| 307 | Q | A | -2.2503 | |
| 308 | H | A | -1.9899 | |
| 309 | Q | A | -1.7031 | |
| 310 | M | A | -0.6076 | |
| 311 | Q | A | -1.5008 | |
| 312 | H | A | -1.5298 | |
| 313 | P | A | -1.0841 | |
| 314 | P | A | -0.8971 | |
| 315 | S | A | -0.1808 | |
| 316 | S | A | 0.5922 | |
| 317 | F | A | 2.0889 | |
| 318 | P | A | 1.4341 | |
| 319 | M | A | 2.0162 | |
| 320 | Y | A | 1.9073 | |
| 321 | T | A | 0.6497 | |
| 322 | T | A | 0.0845 | |
| 323 | S | A | -0.1566 | |
| 324 | G | A | -0.2804 | |
| 325 | S | A | 0.1510 | |
| 326 | F | A | 1.3660 | |
| 327 | H | A | 0.1939 | |
| 328 | S | A | 0.5485 | |
| 329 | F | A | 1.5379 | |
| 330 | P | A | 0.0556 | |
| 331 | G | A | -0.5514 | |
| 332 | P | A | -1.1035 | |
| 333 | N | A | -1.9083 | |
| 334 | T | A | -1.4008 | |
| 335 | N | A | -1.7527 | |
| 336 | A | A | -0.9290 | |
| 337 | S | A | -0.7871 | |
| 338 | G | A | -0.8164 | |
| 339 | S | A | -0.2128 | |
| 340 | T | A | 0.0416 | |
| 341 | L | A | 0.5165 | |
| 342 | R | A | -1.4720 | |
| 343 | P | A | -0.9551 | |
| 344 | H | A | -1.0107 | |
| 345 | L | A | 0.1244 | |
| 346 | H | A | -1.4751 | |
| 347 | D | A | -2.2746 | |
| 348 | S | A | -1.5549 | |
| 349 | H | A | -1.2748 | |
| 350 | M | A | -0.5695 | |
| 351 | R | A | -1.6908 | |
| 352 | H | A | -0.8262 | |
| 353 | V | A | 0.7671 | |
| 354 | A | A | 0.1136 | |
| 355 | H | A | -1.4394 | |
| 356 | N | A | -2.4382 | |
| 357 | Q | A | -2.0505 | |
| 358 | P | A | -0.8608 | |
| 359 | M | A | 0.3580 | |
| 360 | G | A | -0.1641 | |
| 361 | S | A | -0.3568 | |
| 362 | T | A | -0.2241 | |
| 363 | G | A | 0.0688 | |
| 364 | L | A | 0.9624 | |
| 365 | G | A | 0.0302 | |
| 366 | G | A | -0.5686 | |
| 367 | P | A | -0.9680 | |
| 368 | P | A | -1.0850 | |
| 369 | Q | A | -1.4848 | |
| 370 | S | A | -0.8852 | |
| 371 | T | A | -0.6913 | |
| 372 | T | A | -0.5253 | |
| 373 | N | A | -0.4991 | |
| 374 | M | A | 0.7978 | |
| 375 | M | A | 1.4752 | |
| 376 | T | A | 1.1558 | |
| 377 | M | A | 0.7526 | |
| 378 | P | A | -0.1782 | |
| 379 | K | A | -1.0780 | |
| 380 | F | A | -0.2812 | |
| 381 | E | A | -2.1048 | |
| 382 | R | A | -2.5015 | |
| 383 | P | A | -1.7761 | |
| 384 | S | A | -0.4542 | |
| 385 | S | A | 0.2262 | |
| 386 | V | A | 0.6602 | |
| 387 | N | A | -1.3551 | |
| 388 | D | A | -2.2537 | |
| 389 | P | A | -1.9839 | |
| 390 | S | A | -1.3218 | |
| 391 | R | A | -1.3959 | |
| 392 | V | A | 0.1473 | |
| 393 | Q | A | -0.9944 | |
| 394 | G | A | -0.9057 | |
| 395 | G | A | -0.9139 | |
| 396 | A | A | -0.3430 | |
| 397 | T | A | -0.2489 | |
| 398 | S | A | -0.4281 | |
| 399 | H | A | -0.6045 | |
| 400 | F | A | 0.4419 | |
| 401 | Q | A | -1.1657 | |
| 402 | N | A | -1.6092 | |
| 403 | S | A | -1.0403 | |
| 404 | S | A | -0.3826 | |
| 405 | S | A | 0.2200 | |
| 406 | L | A | 1.4266 | |
| 407 | P | A | 0.1433 | |
| 408 | L | A | -0.2614 | |
| 409 | N | A | -1.3725 | |
| 410 | S | A | -0.6961 | |
| 411 | A | A | -0.5735 | |
| 412 | P | A | -0.8540 | |
| 413 | G | A | -1.2383 | |
| 414 | Q | A | -1.7360 | |
| 415 | G | A | -1.2708 | |
| 416 | S | A | -0.3925 | |
| 417 | S | A | 0.4981 | |
| 418 | V | A | 1.3063 | |
| 419 | S | A | 0.4397 | |
| 420 | H | A | -0.2442 | |
| 421 | V | A | 0.0412 | |
| 422 | K | A | -1.8811 | |
| 423 | Q | A | -2.5150 | |
| 424 | E | A | -2.5132 | |
| 425 | S | A | -0.9019 | |
| 426 | V | A | 0.0892 | |
| 427 | D | A | -1.5417 | |
| 428 | Q | A | -1.4595 | |
| 429 | S | A | -0.6187 | |
| 430 | F | A | 0.2493 | |
| 431 | E | A | -2.0119 | |
| 432 | K | A | -3.1052 | |
| 433 | N | A | -3.1212 | |
| 434 | N | A | -2.2391 | |
| 435 | A | A | -0.8613 | |
| 436 | A | A | -0.0592 | |
| 437 | S | A | 0.3189 | |
| 438 | M | A | 0.8787 | |
| 439 | T | A | 0.0943 | |
| 440 | S | A | -1.0386 | |
| 441 | N | A | -2.7611 | |
| 442 | E | A | -3.1031 | |
| 443 | D | A | -2.5071 | |
| 444 | L | A | -0.9487 | |
| 445 | E | A | -2.6799 | |
| 446 | K | A | -3.3449 | |
| 447 | E | A | -3.3229 | |
| 448 | S | A | -1.9810 | |
| 449 | S | A | -1.3133 | |
| 450 | R | A | -0.9115 | |
| 451 | M | A | 1.2679 | |
| 452 | V | A | 2.4937 | |
| 453 | L | A | 2.3096 | |
| 454 | S | A | 1.0411 | |
| 455 | T | A | 0.0890 | |
| 456 | P | A | -1.0443 | |
| 457 | N | A | -1.7960 | |
| 458 | N | A | -1.4076 | |
| 459 | M | A | 0.1025 | |
| 460 | A | A | 0.1498 | |
| 461 | P | A | 0.0044 | |
| 462 | A | A | -0.1964 | |
| 463 | S | A | 0.0436 | |
| 464 | S | A | 0.6168 | |
| 465 | V | A | 1.4517 | |
| 466 | S | A | 0.4940 | |
| 467 | P | A | 0.0924 | |
| 468 | S | A | 0.1177 | |
| 469 | M | A | 0.8263 | |
| 470 | T | A | 0.0910 | |
| 471 | T | A | -0.1449 | |
| 472 | Q | A | -0.8528 | |
| 473 | L | A | 0.0486 | |
| 474 | D | A | -1.3335 | |
| 475 | A | A | -0.6415 | |
| 476 | S | A | -0.6006 | |
| 477 | T | A | -0.0014 | |
| 478 | T | A | 0.0971 | |
| 479 | M | A | 0.3005 | |
| 480 | N | A | -1.2156 | |
| 481 | S | A | -1.6383 | |
| 482 | R | A | -2.4882 | |
| 483 | G | A | -1.2173 | |
| 484 | P | A | -0.2164 | |
| 485 | L | A | 1.0560 | |
| 486 | G | A | 0.2568 | |
| 487 | T | A | -0.3391 | |
| 488 | S | A | -1.0223 | |
| 489 | Q | A | -1.6811 | |
| 490 | G | A | -1.4230 | |
| 491 | G | A | -1.1910 | |
| 492 | A | A | -1.0361 | |
| 493 | N | A | -1.7475 | |
| 494 | A | A | -1.3937 | |
| 495 | R | A | -1.6494 | |
| 496 | M | A | -0.0168 | |
| 497 | P | A | -0.6306 | |
| 498 | P | A | -1.3056 | |
| 499 | K | A | -2.7253 | |
| 500 | K | A | -2.7161 | |
| 501 | P | A | -1.1335 | |
| 502 | S | A | 0.1693 | |
| 503 | V | A | 1.1435 | |
| 504 | G | A | -0.7047 | |
| 505 | Q | A | -2.3948 | |
| 506 | K | A | -3.3399 | |
| 507 | K | A | -2.5689 | |
| 508 | P | A | -1.1688 | |
| 509 | L | A | 0.1623 | |
| 510 | E | A | -0.7795 | |
| 511 | T | A | -0.1069 | |
| 512 | L | A | 0.7903 | |
| 513 | G | A | 0.0802 | |
| 514 | S | A | -0.2640 | |
| 515 | S | A | -0.5841 | |
| 516 | P | A | -0.6598 | |
| 517 | P | A | -0.5924 | |
| 518 | P | A | -0.5938 | |
| 519 | P | A | -1.0609 | |
| 520 | S | A | -1.5782 | |
| 521 | K | A | -3.0380 | |
| 522 | K | A | -3.6449 | |
| 523 | Q | A | -2.9630 | |
| 524 | K | A | -1.8627 | |
| 525 | V | A | 0.6617 | |
| 526 | A | A | 0.0466 | |
| 527 | G | A | -0.5851 | |
| 528 | N | A | -1.5559 | |
| 529 | S | A | -1.0780 | |
| 530 | M | A | -0.5625 | |
| 531 | D | A | -1.9374 | |
| 532 | Q | A | -1.4623 | |
| 533 | S | A | -1.0287 | |
| 534 | I | A | 0.2181 | |
| 535 | E | A | -1.7094 | |
| 536 | Q | A | -1.3253 | |
| 537 | L | A | 0.3483 | |
| 538 | N | A | -0.9297 | |
| 539 | D | A | -0.6931 | |
| 540 | V | A | 1.3700 | |
| 541 | T | A | 0.9685 | |
| 542 | A | A | 0.3794 | |
| 543 | V | A | 1.6114 | |
| 544 | S | A | 0.9630 | |
| 545 | G | A | 0.3971 | |
| 546 | V | A | 0.0360 | |
| 547 | N | A | -1.9714 | |
| 548 | L | A | -1.6324 | |
| 549 | R | A | -3.6725 | |
| 550 | E | A | -4.2629 | |
| 551 | E | A | -3.6498 | |
| 552 | E | A | -3.0840 | |
| 553 | E | A | -3.4587 | |
| 554 | Q | A | -2.4132 | |
| 555 | L | A | -0.1123 | |
| 556 | F | A | 0.4306 | |
| 557 | S | A | -1.3933 | |
| 558 | G | A | -1.0669 | |
| 559 | A | A | -2.1922 | |
| 560 | K | A | -3.2053 | |
| 561 | E | A | -3.7553 | |
| 562 | D | A | -3.4633 | |
| 563 | G | A | -2.6757 | |
| 564 | R | A | -2.8799 | |
| 565 | V | A | -1.0218 | |
| 566 | S | A | -1.5245 | |
| 567 | E | A | -1.7532 | |
| 568 | A | A | -1.2356 | |
| 569 | S | A | -0.8586 | |
| 570 | R | A | -2.2371 | |
| 571 | R | A | -2.7305 | |
| 572 | V | A | -1.1249 | |
| 573 | V | A | -1.6565 | |
| 574 | H | A | -3.7057 | |
| 575 | E | A | -4.6101 | |
| 576 | E | A | -4.4507 | |
| 577 | E | A | -4.4582 | |
| 578 | E | A | -4.5715 | |
| 579 | R | A | -4.2564 | |
| 580 | L | A | -1.8308 | |
| 581 | I | A | 0.0774 | |
| 582 | L | A | -0.4464 | |
| 583 | Q | A | -2.1994 | |
| 584 | K | A | -3.5910 | |
| 585 | N | A | -3.4178 | |
| 586 | P | A | -2.9067 | |
| 587 | L | A | 0.0000 | |
| 588 | Q | A | -3.4359 | |
| 589 | R | A | -3.8845 | |
| 590 | K | A | -3.4686 | |
| 591 | L | A | 0.0000 | |
| 592 | A | A | -2.0382 | |
| 593 | E | A | -2.7224 | |
| 594 | I | A | -0.7648 | |
| 595 | M | A | -0.9010 | |
| 596 | A | A | -1.3775 | |
| 597 | K | A | -1.5809 | |
| 598 | A | A | -0.7238 | |
| 599 | G | A | -0.8076 | |
| 600 | L | A | -0.2464 | |
| 601 | K | A | -1.6692 | |
| 602 | Q | A | -1.4349 | |
| 603 | I | A | -0.2490 | |
| 604 | S | A | -1.1327 | |
| 605 | N | A | -2.2048 | |
| 606 | D | A | -2.2516 | |
| 607 | V | A | -0.6701 | |
| 608 | E | A | -1.2892 | |
| 609 | R | A | -1.7025 | |
| 610 | C | A | 0.1946 | |
| 611 | L | A | 0.9154 | |
| 612 | S | A | 0.0000 | |
| 613 | L | A | 0.0285 | |
| 614 | C | A | 0.3607 | |
| 615 | V | A | 0.0398 | |
| 616 | E | A | -1.6389 | |
| 617 | E | A | -2.5932 | |
| 618 | R | A | -1.7918 | |
| 619 | M | A | -1.4289 | |
| 620 | R | A | -2.6203 | |
| 621 | G | A | -1.6143 | |
| 622 | L | A | 0.0000 | |
| 623 | L | A | -0.4388 | |
| 624 | S | A | -0.9051 | |
| 625 | H | A | -1.2185 | |
| 626 | I | A | 0.0000 | |
| 627 | I | A | -1.3832 | |
| 628 | R | A | -2.6351 | |
| 629 | L | A | -1.9242 | |
| 630 | S | A | 0.0000 | |
| 631 | K | A | -3.2577 | |
| 632 | Q | A | -3.2938 | |
| 633 | R | A | -2.7384 | |
| 634 | V | A | -1.5093 | |
| 635 | D | A | -3.1108 | |
| 636 | A | A | -2.6463 | |
| 637 | E | A | -4.3208 | |
| 638 | K | A | -4.2729 | |
| 639 | S | A | -3.4246 | |
| 640 | R | A | -3.9640 | |
| 641 | H | A | -3.5462 | |
| 642 | R | A | -2.6369 | |
| 643 | T | A | -0.6604 | |
| 644 | F | A | 2.2380 | |
| 645 | I | A | 2.5307 | |
| 646 | T | A | 1.4503 | |
| 647 | S | A | 0.7942 | |
| 648 | D | A | 0.5437 | |
| 649 | I | A | 0.8635 | |
| 650 | R | A | -0.8182 | |
| 651 | L | A | -0.0713 | |
| 652 | Q | A | -1.0655 | |
| 653 | I | A | -0.7884 | |
| 654 | N | A | -2.3223 | |
| 655 | E | A | -2.9863 | |
| 656 | M | A | -2.1768 | |
| 657 | N | A | -2.9783 | |
| 658 | Q | A | -3.9123 | |
| 659 | K | A | -3.6856 | |
| 660 | V | A | -1.9161 | |
| 661 | K | A | -3.7298 | |
| 662 | E | A | -4.6453 | |
| 663 | E | A | -3.9583 | |
| 664 | W | A | -2.8830 | |
| 665 | E | A | -4.3403 | |
| 666 | K | A | -4.5268 | |
| 667 | K | A | -4.6916 | |
| 668 | Q | A | -4.0434 | |
| 669 | A | A | -3.6201 | |
| 670 | E | A | -3.7305 | |
| 671 | A | A | -3.3233 | |
| 672 | E | A | -4.2192 | |
| 673 | K | A | -3.7663 | |
| 674 | L | A | -1.7168 | |
| 675 | K | A | -3.2476 | |
| 676 | K | A | -3.6011 | |
| 677 | P | A | -2.5110 | |
| 678 | S | A | -2.1741 | |
| 679 | E | A | -3.1246 | |
| 680 | S | A | -2.7035 | |
| 681 | E | A | -3.6045 | |
| 682 | E | A | -3.6813 | |
| 683 | G | A | -2.8169 | |
| 684 | D | A | -2.9891 | |
| 685 | G | A | -1.4730 | |
| 686 | G | A | -0.7448 | |
| 687 | V | A | 0.5347 | |
| 688 | D | A | -1.5377 | |
| 689 | S | A | -1.9486 | |
| 690 | E | A | -3.5327 | |
| 691 | K | A | -3.9402 | |
| 692 | D | A | -4.2871 | |
| 693 | K | A | -4.4873 | |
| 694 | E | A | -4.4674 | |
| 695 | D | A | -4.2275 | |
| 696 | N | A | -4.0117 | |
| 697 | R | A | -3.8601 | |
| 698 | S | A | -2.5809 | |
| 699 | K | A | -2.7768 | |
| 700 | G | A | -1.4820 | |
| 701 | V | A | -0.4622 | |
| 702 | K | A | -2.8845 | |
| 703 | G | A | -3.0319 | |
| 704 | N | A | -3.8677 | |
| 705 | K | A | -4.6352 | |
| 706 | E | A | -5.4805 | |
| 707 | D | A | -5.2240 | |
| 708 | D | A | -4.6249 | |
| 709 | D | A | -5.0890 | |
| 710 | K | A | -4.4367 | |
| 711 | M | A | -2.6211 | |
| 712 | R | A | -3.2120 | |
| 713 | T | A | -2.1114 | |
| 714 | T | A | -1.0673 | |
| 715 | A | A | -0.7517 | |
| 716 | A | A | -0.7779 | |
| 717 | N | A | -0.9951 | |
| 718 | V | A | 0.4219 | |
| 719 | A | A | 0.2284 | |
| 720 | A | A | -0.2055 | |
| 721 | R | A | -1.0972 | |
| 722 | A | A | -0.4185 | |
| 723 | A | A | 0.2934 | |
| 724 | V | A | 0.8743 | |
| 725 | G | A | -0.3263 | |
| 726 | G | A | -0.2656 | |
| 727 | D | A | -0.8212 | |
| 728 | D | A | -1.5435 | |
| 729 | A | A | -0.1643 | |
| 730 | F | A | 1.7271 | |
| 731 | L | A | 1.2530 | |
| 732 | K | A | -0.0497 | |
| 733 | W | A | 1.4970 | |
| 734 | Q | A | 0.8321 | |
| 735 | L | A | 1.3044 | |
| 736 | M | A | 0.7599 | |
| 737 | A | A | -0.8156 | |
| 738 | E | A | -2.0438 | |
| 739 | A | A | -1.4358 | |
| 740 | R | A | -2.6355 | |
| 741 | Q | A | -2.8469 | |
| 742 | K | A | -3.1430 | |
| 743 | S | A | -1.6877 | |
| 744 | V | A | -0.0931 | |
| 745 | S | A | -1.3084 | |
| 746 | E | A | -2.4302 | |
| 747 | A | A | -1.1969 | |
| 748 | G | A | -2.4402 | |
| 749 | K | A | -3.2233 | |
| 750 | D | A | -3.2361 | |
| 751 | G | A | -2.6968 | |
| 752 | N | A | -2.8746 | |
| 753 | Q | A | -2.8633 | |
| 754 | K | A | -2.6820 | |
| 755 | T | A | -1.1944 | |
| 756 | T | A | -0.6553 | |
| 757 | S | A | -0.6331 | |
| 758 | G | A | -0.9258 | |
| 759 | G | A | -1.3959 | |
| 760 | G | A | -1.9974 | |
| 761 | K | A | -2.7182 | |
| 762 | N | A | -2.9266 | |
| 763 | S | A | -2.5737 | |
| 764 | K | A | -3.5420 | |
| 765 | D | A | -4.0794 | |
| 766 | R | A | -4.1652 | |
| 767 | Q | A | -3.5121 | |
| 768 | D | A | -3.2160 | |
| 769 | G | A | -2.5283 | |
| 770 | G | A | -2.3513 | |
| 771 | R | A | -2.6873 | |
| 772 | R | A | -1.9805 | |
| 773 | F | A | 0.4510 | |
| 774 | S | A | -0.0327 | |
| 775 | G | A | -0.7521 | |
| 776 | T | A | -1.0813 | |
| 777 | E | A | -2.0848 | |
| 778 | S | A | -1.1156 | |
| 779 | S | A | -0.3804 | |
| 780 | C | A | 0.5569 | |
| 781 | G | A | 0.7693 | |
| 782 | V | A | 2.2984 | |
| 783 | G | A | 2.1997 | |
| 784 | I | A | 3.2082 | |
| 785 | V | A | 3.1691 | |
| 786 | Y | A | 2.2745 | |
| 787 | R | A | 0.3353 | |
| 788 | V | A | 1.2904 | |
| 789 | S | A | 0.0281 | |
| 790 | S | A | 0.1032 | |
| 791 | S | A | 0.1244 | |
| 792 | R | A | -0.1216 | |
| 793 | F | A | 2.3351 | |
| 794 | W | A | 2.7209 | |
| 795 | F | A | 3.2531 | |
| 796 | A | A | 2.5330 | |
| 797 | M | A | 2.8782 | |
| 798 | M | A | 2.9560 | |
| 799 | S | A | 2.2313 | |
| 800 | F | A | 3.0829 | |
| 801 | G | A | 2.2658 | |
| 802 | F | A | 3.4055 | |
| 803 | L | A | 3.6253 | |
| 804 | F | A | 3.0012 | |
| 805 | A | A | 1.3298 | |
| 806 | G | A | -0.7458 | |
| 807 | G | A | -1.8040 | |
| 808 | R | A | -2.7752 | |
| 809 | R | A | -2.4197 | |
| 810 | V | A | -0.1185 | |
| 811 | G | A | -1.1051 | |
| 812 | K | A | -2.6152 | |
| 813 | N | A | -2.9061 | |
| 814 | Q | A | -2.4738 | |
| 815 | G | A | -1.2560 | |
| 816 | S | A | -0.4900 | |
| 817 | S | A | -0.1792 | |
| 818 | L | A | 0.3570 | |
| 819 | Q | A | -0.8656 | |
| 820 | P | A | -0.5077 | |
| 821 | K | A | -0.7870 | |
| 822 | V | A | 0.9983 | |
| 823 | V | A | 1.2700 | |
| 824 | R | A | -0.5688 | |
| 825 | T | A | 0.1993 | |
| 826 | I | A | 0.4190 | |
| 827 | S | A | -0.1266 | |
| 828 | V | A | 0.9566 | |
| 829 | K | A | -0.6107 | |
| 830 | D | A | 0.0000 | |
| 831 | V | A | 0.1881 | |
| 832 | V | A | 0.0000 | |
| 833 | A | A | 0.0000 | |
| 834 | V | A | 0.0000 | |
| 835 | L | A | 0.0000 | |
| 836 | E | A | -3.2428 | |
| 837 | R | A | -3.0760 | |
| 838 | E | A | -2.4209 | |
| 839 | P | A | -2.1144 | |
| 840 | Q | A | -2.2378 | |
| 841 | M | A | -1.7838 | |
| 842 | S | A | -2.2599 | |
| 843 | K | A | -2.0307 | |
| 844 | S | A | -1.0156 | |
| 845 | T | A | -0.0320 | |
| 846 | L | A | 0.5452 | |
| 847 | M | A | 0.0000 | |
| 848 | Y | A | 0.8290 | |
| 849 | R | A | -0.5756 | |
| 850 | L | A | 0.7426 | |
| 851 | I | A | 1.5324 | |
| 852 | Q | A | -0.3249 |
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 | -0.9187 | 7.0995 | View | CSV | PDB |
| 4.5 | -1.0088 | 7.0995 | View | CSV | PDB |
| 5.0 | -1.122 | 7.0995 | View | CSV | PDB |
| 5.5 | -1.2328 | 7.0995 | View | CSV | PDB |
| 6.0 | -1.3142 | 7.0995 | View | CSV | PDB |
| 6.5 | -1.3505 | 7.0995 | View | CSV | PDB |
| 7.0 | -1.3448 | 7.0995 | View | CSV | PDB |
| 7.5 | -1.3114 | 7.0995 | View | CSV | PDB |
| 8.0 | -1.2632 | 7.0995 | View | CSV | PDB |
| 8.5 | -1.2046 | 7.0995 | View | CSV | PDB |
| 9.0 | -1.1349 | 7.0995 | 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