| Chain sequence(s) | MSRRKQGKPQHLSKREFSPEPLEAILTDDEPDHGPLGAPEGDHDLLTCGQCQMNFPLGDILIFIEHKRKQCNGSLCLEKGVDKPPSPSPIEMKKASNPVEVGIQVTPEDDDCLSTSSRGICPKQEHIADKLLHWRGLSSPRSAHGALIPTPGMSAEYAPQGICKDEPSSYTCTTCKQPFTSAWFLLQHAQNTHGLRIYLESEHGSPLTPRVGIPSGLGAECPSQPSLHGIPIADNNPFNLLRIPGSVSREASGLAEGRFPPTPPLFSPPPRHHLDPHRIERLGAEEMALATHHPSAFDRVLRLNPMAMEPPAMDFSRRLRELAGNTSSPPLSPGRPSPMQRLLQPFQPGSKPPFLATPPLPPLQSAPPPSQPPVKSKSCEFCGKTFKFQSNLVVHRRSHTGEKPYKCNLCDHACTQASKLKRHMKTHMHKSSPMTVKSDDGLSTASSPEPGTSDLVGSASSALKSVVAKFKSENDPNLIPENGDEEEEEDDEEEEEEEEEEEEELTESERVDYGFGLSLEAARHHENSSRGAVVGVGDEGRALPDVMQGMVLSSMQHFSEAFHQVLGEKHKRSHLAEAEGHRDTCDEDSVAGESDRIDDGTVNGRGCSPGESASGGLSKKLLLGSPSSLSPFSKRIKLEKEFDLPPAAMPNTENVYSQWLAGYAASRQLKDPFLTFGDSRQSPFASSSEHSSENGSLRFSTPPGELDGGISGRSGTGSGGSTPHISGPGPGRPSSKEGRRSDTCPSHTPVRRSTPRAQDVWQFSDGSSRALKF input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| 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. (00:00:12)
[INFO] FoldX: Starting FoldX energy minimization (00:00:12)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:23:42)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b3020179d8de9c/tmp/folded.pdb (00:23:42)
[INFO] Main: Simulation completed successfully. (00:39:20)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 0.5192 | |
| 2 | S | A | -0.8729 | |
| 3 | R | A | -3.1453 | |
| 4 | R | A | -3.9546 | |
| 5 | K | A | -3.9525 | |
| 6 | Q | A | -3.3949 | |
| 7 | G | A | -2.5037 | |
| 8 | K | A | -2.7587 | |
| 9 | P | A | -1.9787 | |
| 10 | Q | A | -1.9187 | |
| 11 | H | A | -1.0358 | |
| 12 | L | A | 0.3590 | |
| 13 | S | A | -0.7713 | |
| 14 | K | A | -2.7880 | |
| 15 | R | A | -3.2420 | |
| 16 | E | A | -2.2339 | |
| 17 | F | A | 0.4891 | |
| 18 | S | A | -0.1990 | |
| 19 | P | A | -0.8970 | |
| 20 | E | A | -1.8051 | |
| 21 | P | A | -0.9956 | |
| 22 | L | A | 0.0519 | |
| 23 | E | A | -0.5810 | |
| 24 | A | A | 0.9706 | |
| 25 | I | A | 2.3897 | |
| 26 | L | A | 2.0300 | |
| 27 | T | A | -0.1612 | |
| 28 | D | A | -2.6418 | |
| 29 | D | A | -3.5737 | |
| 30 | E | A | -3.5878 | |
| 31 | P | A | -2.6723 | |
| 32 | D | A | -2.9892 | |
| 33 | H | A | -2.2407 | |
| 34 | G | A | -1.1939 | |
| 35 | P | A | -0.2865 | |
| 36 | L | A | 1.0774 | |
| 37 | G | A | -0.0551 | |
| 38 | A | A | -0.4127 | |
| 39 | P | A | -1.4364 | |
| 40 | E | A | -2.7516 | |
| 41 | G | A | -2.8732 | |
| 42 | D | A | -3.3473 | |
| 43 | H | A | -2.8056 | |
| 44 | D | A | -2.5029 | |
| 45 | L | A | -0.9784 | |
| 46 | L | A | -0.2289 | |
| 47 | T | A | -0.7383 | |
| 48 | C | A | 0.0000 | |
| 49 | G | A | -1.3754 | |
| 50 | Q | A | -1.8181 | |
| 51 | C | A | -0.9318 | |
| 52 | Q | A | -1.3324 | |
| 53 | M | A | -0.3675 | |
| 54 | N | A | -1.0664 | |
| 55 | F | A | 0.0000 | |
| 56 | P | A | -0.8264 | |
| 57 | L | A | 0.0761 | |
| 58 | G | A | -0.1933 | |
| 59 | D | A | 0.4404 | |
| 60 | I | A | 1.8616 | |
| 61 | L | A | 2.4987 | |
| 62 | I | A | 2.1420 | |
| 63 | F | A | 0.0000 | |
| 64 | I | A | 0.8148 | |
| 65 | E | A | -1.1792 | |
| 66 | H | A | 0.0000 | |
| 67 | K | A | -2.5992 | |
| 68 | R | A | -3.6911 | |
| 69 | K | A | -3.9801 | |
| 70 | Q | A | -3.3590 | |
| 71 | C | A | -2.6584 | |
| 72 | N | A | -3.2619 | |
| 73 | G | A | -1.7627 | |
| 74 | S | A | 0.2490 | |
| 75 | L | A | 1.7853 | |
| 76 | C | A | 1.7036 | |
| 77 | L | A | 0.9839 | |
| 78 | E | A | -1.4673 | |
| 79 | K | A | -2.2137 | |
| 80 | G | A | -1.0367 | |
| 81 | V | A | -0.3136 | |
| 82 | D | A | -2.2180 | |
| 83 | K | A | -2.4883 | |
| 84 | P | A | -1.6447 | |
| 85 | P | A | -0.9008 | |
| 86 | S | A | -0.5934 | |
| 87 | P | A | -0.6130 | |
| 88 | S | A | -0.2425 | |
| 89 | P | A | 0.1326 | |
| 90 | I | A | 1.0195 | |
| 91 | E | A | -1.0908 | |
| 92 | M | A | -0.5914 | |
| 93 | K | A | -2.2785 | |
| 94 | K | A | -2.6492 | |
| 95 | A | A | -1.6145 | |
| 96 | S | A | -1.2793 | |
| 97 | N | A | -1.4485 | |
| 98 | P | A | -0.3185 | |
| 99 | V | A | 0.8630 | |
| 100 | E | A | -0.2162 | |
| 101 | V | A | 1.5177 | |
| 102 | G | A | 1.0686 | |
| 103 | I | A | 1.9355 | |
| 104 | Q | A | 0.7157 | |
| 105 | V | A | 1.3263 | |
| 106 | T | A | -0.1464 | |
| 107 | P | A | -1.5729 | |
| 108 | E | A | -3.3664 | |
| 109 | D | A | -3.9909 | |
| 110 | D | A | -3.7778 | |
| 111 | D | A | -2.6734 | |
| 112 | C | A | -0.0916 | |
| 113 | L | A | 1.1596 | |
| 114 | S | A | 0.4054 | |
| 115 | T | A | 0.1219 | |
| 116 | S | A | -0.7804 | |
| 117 | S | A | -1.3552 | |
| 118 | R | A | -1.7534 | |
| 119 | G | A | -0.2757 | |
| 120 | I | A | 1.6612 | |
| 121 | C | A | 0.9498 | |
| 122 | P | A | -0.6627 | |
| 123 | K | A | -2.7845 | |
| 124 | Q | A | -3.0830 | |
| 125 | E | A | -2.9217 | |
| 126 | H | A | -1.5450 | |
| 127 | I | A | 0.5839 | |
| 128 | A | A | -0.7088 | |
| 129 | D | A | -1.9131 | |
| 130 | K | A | -1.4358 | |
| 131 | L | A | 0.9927 | |
| 132 | L | A | 1.8029 | |
| 133 | H | A | 0.2994 | |
| 134 | W | A | -0.0059 | |
| 135 | R | A | -1.3997 | |
| 136 | G | A | -0.2818 | |
| 137 | L | A | 0.7290 | |
| 138 | S | A | 0.2606 | |
| 139 | S | A | -0.5464 | |
| 140 | P | A | -1.3378 | |
| 141 | R | A | -2.1116 | |
| 142 | S | A | -1.4344 | |
| 143 | A | A | -1.0646 | |
| 144 | H | A | -1.2153 | |
| 145 | G | A | -0.5519 | |
| 146 | A | A | 0.7775 | |
| 147 | L | A | 2.3845 | |
| 148 | I | A | 2.6000 | |
| 149 | P | A | 0.9969 | |
| 150 | T | A | 0.0545 | |
| 151 | P | A | -0.1505 | |
| 152 | G | A | -0.1438 | |
| 153 | M | A | 0.6717 | |
| 154 | S | A | -0.0837 | |
| 155 | A | A | -0.3998 | |
| 156 | E | A | -1.1855 | |
| 157 | Y | A | 0.2868 | |
| 158 | A | A | -0.1552 | |
| 159 | P | A | -0.3814 | |
| 160 | Q | A | -0.7526 | |
| 161 | G | A | -0.1574 | |
| 162 | I | A | 1.0305 | |
| 163 | C | A | -0.2032 | |
| 164 | K | A | -2.2216 | |
| 165 | D | A | -3.0289 | |
| 166 | E | A | -3.1813 | |
| 167 | P | A | -1.5293 | |
| 168 | S | A | -1.1175 | |
| 169 | S | A | -0.3952 | |
| 170 | Y | A | 0.4115 | |
| 171 | T | A | -0.3765 | |
| 172 | C | A | 0.0000 | |
| 173 | T | A | -0.2143 | |
| 174 | T | A | -0.3391 | |
| 175 | C | A | -0.8638 | |
| 176 | K | A | -1.9974 | |
| 177 | Q | A | -1.6534 | |
| 178 | P | A | -0.7242 | |
| 179 | F | A | 0.4373 | |
| 180 | T | A | 0.4028 | |
| 181 | S | A | 0.8223 | |
| 182 | A | A | 1.1771 | |
| 183 | W | A | 2.3650 | |
| 184 | F | A | 2.6286 | |
| 185 | L | A | 1.3731 | |
| 186 | L | A | 1.4930 | |
| 187 | Q | A | 0.3482 | |
| 188 | H | A | -0.0684 | |
| 189 | A | A | 0.0000 | |
| 190 | Q | A | -1.1791 | |
| 191 | N | A | -1.9053 | |
| 192 | T | A | -1.0597 | |
| 193 | H | A | -1.0878 | |
| 194 | G | A | -1.1823 | |
| 195 | L | A | -0.3883 | |
| 196 | R | A | -0.9240 | |
| 197 | I | A | 0.8881 | |
| 198 | Y | A | 1.5247 | |
| 199 | L | A | 1.0549 | |
| 200 | E | A | -1.2661 | |
| 201 | S | A | -1.7533 | |
| 202 | E | A | -2.8186 | |
| 203 | H | A | -2.3766 | |
| 204 | G | A | -1.3727 | |
| 205 | S | A | -0.5878 | |
| 206 | P | A | 0.2390 | |
| 207 | L | A | 0.9463 | |
| 208 | T | A | 0.1621 | |
| 209 | P | A | -0.3780 | |
| 210 | R | A | -0.8186 | |
| 211 | V | A | 1.0442 | |
| 212 | G | A | 0.7468 | |
| 213 | I | A | 1.8074 | |
| 214 | P | A | 0.5829 | |
| 215 | S | A | 0.1579 | |
| 216 | G | A | 0.2332 | |
| 217 | L | A | 1.0563 | |
| 218 | G | A | -0.1984 | |
| 219 | A | A | -0.5178 | |
| 220 | E | A | -1.5959 | |
| 221 | C | A | -0.3192 | |
| 222 | P | A | -0.5782 | |
| 223 | S | A | -0.8027 | |
| 224 | Q | A | -1.5440 | |
| 225 | P | A | -0.7698 | |
| 226 | S | A | -0.0484 | |
| 227 | L | A | 0.8257 | |
| 228 | H | A | -0.1181 | |
| 229 | G | A | 0.2601 | |
| 230 | I | A | 1.8652 | |
| 231 | P | A | 1.7159 | |
| 232 | I | A | 1.9651 | |
| 233 | A | A | -0.1666 | |
| 234 | D | A | -2.2228 | |
| 235 | N | A | -2.6222 | |
| 236 | N | A | -2.0238 | |
| 237 | P | A | -0.5006 | |
| 238 | F | A | 1.0469 | |
| 239 | N | A | 0.4888 | |
| 240 | L | A | 1.5948 | |
| 241 | L | A | 1.5162 | |
| 242 | R | A | 0.0166 | |
| 243 | I | A | 1.1989 | |
| 244 | P | A | 0.0914 | |
| 245 | G | A | -0.0449 | |
| 246 | S | A | 0.3034 | |
| 247 | V | A | 1.0411 | |
| 248 | S | A | -0.6588 | |
| 249 | R | A | -2.4123 | |
| 250 | E | A | -2.7769 | |
| 251 | A | A | -1.2610 | |
| 252 | S | A | -0.4786 | |
| 253 | G | A | 0.0242 | |
| 254 | L | A | 0.9235 | |
| 255 | A | A | -0.2467 | |
| 256 | E | A | -2.0948 | |
| 257 | G | A | -1.8832 | |
| 258 | R | A | -1.5239 | |
| 259 | F | A | 0.7586 | |
| 260 | P | A | 0.1418 | |
| 261 | P | A | -0.0701 | |
| 262 | T | A | -0.0601 | |
| 263 | P | A | 0.0660 | |
| 264 | P | A | 0.7619 | |
| 265 | L | A | 2.2208 | |
| 266 | F | A | 2.4048 | |
| 267 | S | A | 0.8588 | |
| 268 | P | A | -0.1314 | |
| 269 | P | A | -0.8872 | |
| 270 | P | A | -1.7425 | |
| 271 | R | A | -2.6102 | |
| 272 | H | A | -2.2759 | |
| 273 | H | A | -1.6810 | |
| 274 | L | A | -0.6422 | |
| 275 | D | A | -2.1693 | |
| 276 | P | A | -1.4277 | |
| 277 | H | A | -2.1214 | |
| 278 | R | A | -2.4081 | |
| 279 | I | A | -0.2440 | |
| 280 | E | A | -2.1454 | |
| 281 | R | A | -1.8696 | |
| 282 | L | A | 0.0964 | |
| 283 | G | A | -1.1521 | |
| 284 | A | A | -1.2087 | |
| 285 | E | A | -2.3172 | |
| 286 | E | A | -2.0321 | |
| 287 | M | A | 0.1114 | |
| 288 | A | A | 0.6472 | |
| 289 | L | A | 1.5986 | |
| 290 | A | A | 0.5182 | |
| 291 | T | A | -0.5321 | |
| 292 | H | A | -1.6102 | |
| 293 | H | A | -1.7064 | |
| 294 | P | A | -1.0099 | |
| 295 | S | A | -0.5155 | |
| 296 | A | A | 0.1960 | |
| 297 | F | A | 1.1014 | |
| 298 | D | A | -1.0823 | |
| 299 | R | A | -1.0047 | |
| 300 | V | A | 1.3254 | |
| 301 | L | A | 1.0798 | |
| 302 | R | A | -0.8384 | |
| 303 | L | A | 0.5877 | |
| 304 | N | A | -0.6180 | |
| 305 | P | A | -0.0604 | |
| 306 | M | A | 0.8919 | |
| 307 | A | A | 0.4500 | |
| 308 | M | A | 0.3453 | |
| 309 | E | A | -1.3689 | |
| 310 | P | A | -0.8865 | |
| 311 | P | A | -0.5289 | |
| 312 | A | A | 0.2351 | |
| 313 | M | A | 0.7987 | |
| 314 | D | A | -0.0800 | |
| 315 | F | A | 0.6318 | |
| 316 | S | A | -0.9571 | |
| 317 | R | A | -2.6182 | |
| 318 | R | A | -1.8900 | |
| 319 | L | A | -0.8061 | |
| 320 | R | A | -2.6594 | |
| 321 | E | A | -2.6778 | |
| 322 | L | A | -0.4192 | |
| 323 | A | A | -0.7938 | |
| 324 | G | A | -1.4878 | |
| 325 | N | A | -1.6133 | |
| 326 | T | A | -1.0390 | |
| 327 | S | A | -0.8095 | |
| 328 | S | A | -0.4879 | |
| 329 | P | A | -0.1921 | |
| 330 | P | A | 0.2470 | |
| 331 | L | A | 1.1791 | |
| 332 | S | A | 0.2306 | |
| 333 | P | A | -0.6038 | |
| 334 | G | A | -1.5745 | |
| 335 | R | A | -2.3427 | |
| 336 | P | A | -1.8269 | |
| 337 | S | A | -0.9983 | |
| 338 | P | A | -0.7572 | |
| 339 | M | A | 0.0494 | |
| 340 | Q | A | -1.0628 | |
| 341 | R | A | -1.3193 | |
| 342 | L | A | 0.9383 | |
| 343 | L | A | 1.1465 | |
| 344 | Q | A | -0.1924 | |
| 345 | P | A | 0.4011 | |
| 346 | F | A | 0.9650 | |
| 347 | Q | A | -0.5689 | |
| 348 | P | A | -0.8956 | |
| 349 | G | A | -1.1195 | |
| 350 | S | A | -1.3610 | |
| 351 | K | A | -2.1316 | |
| 352 | P | A | -0.9825 | |
| 353 | P | A | 0.4573 | |
| 354 | F | A | 2.6616 | |
| 355 | L | A | 2.6103 | |
| 356 | A | A | 1.1605 | |
| 357 | T | A | 0.2780 | |
| 358 | P | A | -0.0696 | |
| 359 | P | A | 0.2653 | |
| 360 | L | A | 1.3791 | |
| 361 | P | A | 0.5045 | |
| 362 | P | A | 0.3661 | |
| 363 | L | A | 0.9330 | |
| 364 | Q | A | -0.6600 | |
| 365 | S | A | -0.4946 | |
| 366 | A | A | -0.3748 | |
| 367 | P | A | -0.6479 | |
| 368 | P | A | -0.7379 | |
| 369 | P | A | -0.8937 | |
| 370 | S | A | -1.1289 | |
| 371 | Q | A | -1.2916 | |
| 372 | P | A | -0.7789 | |
| 373 | P | A | -0.4008 | |
| 374 | V | A | 0.2569 | |
| 375 | K | A | -1.4878 | |
| 376 | S | A | -1.5032 | |
| 377 | K | A | -1.9150 | |
| 378 | S | A | -1.8119 | |
| 379 | C | A | 0.0000 | |
| 380 | E | A | -1.5987 | |
| 381 | F | A | 0.3453 | |
| 382 | C | A | -0.1442 | |
| 383 | G | A | -1.0682 | |
| 384 | K | A | -1.5933 | |
| 385 | T | A | -1.7102 | |
| 386 | F | A | -1.2502 | |
| 387 | K | A | -1.4369 | |
| 388 | F | A | 0.1405 | |
| 389 | Q | A | -0.8273 | |
| 390 | S | A | -0.1178 | |
| 391 | N | A | -0.2957 | |
| 392 | L | A | -0.4692 | |
| 393 | V | A | 1.1210 | |
| 394 | V | A | 0.0471 | |
| 395 | H | A | -0.6968 | |
| 396 | R | A | -1.3000 | |
| 397 | R | A | -1.6416 | |
| 398 | S | A | -1.4288 | |
| 399 | H | A | -1.2444 | |
| 400 | T | A | -1.4790 | |
| 401 | G | A | -2.0407 | |
| 402 | E | A | -2.7150 | |
| 403 | K | A | -2.5839 | |
| 404 | P | A | -1.5356 | |
| 405 | Y | A | -1.5035 | |
| 406 | K | A | -2.4885 | |
| 407 | C | A | 0.0000 | |
| 408 | N | A | -1.4305 | |
| 409 | L | A | -0.0035 | |
| 410 | C | A | -0.9002 | |
| 411 | D | A | -2.4494 | |
| 412 | H | A | -2.2062 | |
| 413 | A | A | -2.2335 | |
| 414 | C | A | 0.0000 | |
| 415 | T | A | 0.0000 | |
| 416 | Q | A | -1.0790 | |
| 417 | A | A | -1.1815 | |
| 418 | S | A | -1.3167 | |
| 419 | K | A | -1.5176 | |
| 420 | L | A | -2.0546 | |
| 421 | K | A | -2.9792 | |
| 422 | R | A | -3.2803 | |
| 423 | H | A | -2.1361 | |
| 424 | M | A | -1.7383 | |
| 425 | K | A | -2.7556 | |
| 426 | T | A | -1.8942 | |
| 427 | H | A | -1.0997 | |
| 428 | M | A | -0.6741 | |
| 429 | H | A | -1.8236 | |
| 430 | K | A | -2.3243 | |
| 431 | S | A | -1.0352 | |
| 432 | S | A | -0.7004 | |
| 433 | P | A | 0.0799 | |
| 434 | M | A | 1.0712 | |
| 435 | T | A | 0.7485 | |
| 436 | V | A | 0.9114 | |
| 437 | K | A | -1.4342 | |
| 438 | S | A | -1.9209 | |
| 439 | D | A | -2.8963 | |
| 440 | D | A | -2.8381 | |
| 441 | G | A | -1.2740 | |
| 442 | L | A | 0.6246 | |
| 443 | S | A | 0.4110 | |
| 444 | T | A | 0.1459 | |
| 445 | A | A | -0.1729 | |
| 446 | S | A | -0.3625 | |
| 447 | S | A | -0.9042 | |
| 448 | P | A | -1.3969 | |
| 449 | E | A | -2.2205 | |
| 450 | P | A | -1.4378 | |
| 451 | G | A | -1.1077 | |
| 452 | T | A | -0.8174 | |
| 453 | S | A | -0.9517 | |
| 454 | D | A | -0.7879 | |
| 455 | L | A | 1.4507 | |
| 456 | V | A | 1.9436 | |
| 457 | G | A | 0.6328 | |
| 458 | S | A | -0.1119 | |
| 459 | A | A | -0.3131 | |
| 460 | S | A | -0.3214 | |
| 461 | S | A | 0.0928 | |
| 462 | A | A | 0.3529 | |
| 463 | L | A | 0.6678 | |
| 464 | K | A | -0.4762 | |
| 465 | S | A | 0.4664 | |
| 466 | V | A | 2.1096 | |
| 467 | V | A | 2.1914 | |
| 468 | A | A | 0.6652 | |
| 469 | K | A | -0.4726 | |
| 470 | F | A | -0.0872 | |
| 471 | K | A | -1.6692 | |
| 472 | S | A | -1.8636 | |
| 473 | E | A | -3.1382 | |
| 474 | N | A | -3.3044 | |
| 475 | D | A | -3.1796 | |
| 476 | P | A | -1.6620 | |
| 477 | N | A | -0.4647 | |
| 478 | L | A | 1.8778 | |
| 479 | I | A | 2.0881 | |
| 480 | P | A | -0.2667 | |
| 481 | E | A | -2.3355 | |
| 482 | N | A | -3.2026 | |
| 483 | G | A | -3.3075 | |
| 484 | D | A | -3.9755 | |
| 485 | E | A | -5.0394 | |
| 486 | E | A | -5.7278 | |
| 487 | E | A | -5.9189 | |
| 488 | E | A | -6.1513 | |
| 489 | E | A | -6.5924 | |
| 490 | D | A | -6.4932 | |
| 491 | D | A | -6.5261 | |
| 492 | E | A | -6.5946 | |
| 493 | E | A | -6.4718 | |
| 494 | E | A | -5.6628 | |
| 495 | E | A | -6.1231 | |
| 496 | E | A | -6.3731 | |
| 497 | E | A | -6.1121 | |
| 498 | E | A | -5.6350 | |
| 499 | E | A | -6.1696 | |
| 500 | E | A | -6.1783 | |
| 501 | E | A | -5.3279 | |
| 502 | E | A | -4.4497 | |
| 503 | E | A | -5.0751 | |
| 504 | E | A | -4.5840 | |
| 505 | L | A | -2.6143 | |
| 506 | T | A | -2.8709 | |
| 507 | E | A | -3.7725 | |
| 508 | S | A | -2.6826 | |
| 509 | E | A | -3.1363 | |
| 510 | R | A | -2.6435 | |
| 511 | V | A | -0.6453 | |
| 512 | D | A | -1.2892 | |
| 513 | Y | A | 0.5097 | |
| 514 | G | A | 0.6648 | |
| 515 | F | A | 1.9014 | |
| 516 | G | A | 1.2476 | |
| 517 | L | A | 1.8074 | |
| 518 | S | A | 0.7693 | |
| 519 | L | A | 0.7508 | |
| 520 | E | A | -0.7623 | |
| 521 | A | A | -0.8427 | |
| 522 | A | A | -1.4137 | |
| 523 | R | A | -2.7218 | |
| 524 | H | A | -2.8742 | |
| 525 | H | A | -3.0764 | |
| 526 | E | A | -3.4901 | |
| 527 | N | A | -2.7795 | |
| 528 | S | A | -1.7125 | |
| 529 | S | A | -1.7602 | |
| 530 | R | A | -2.1977 | |
| 531 | G | A | -0.9127 | |
| 532 | A | A | 0.7422 | |
| 533 | V | A | 2.4198 | |
| 534 | V | A | 2.7305 | |
| 535 | G | A | 1.6685 | |
| 536 | V | A | 1.2554 | |
| 537 | G | A | -0.9711 | |
| 538 | D | A | -2.5742 | |
| 539 | E | A | -3.3637 | |
| 540 | G | A | -2.5558 | |
| 541 | R | A | -2.1301 | |
| 542 | A | A | -0.2401 | |
| 543 | L | A | 0.6726 | |
| 544 | P | A | 0.1067 | |
| 545 | D | A | -0.4751 | |
| 546 | V | A | 1.1052 | |
| 547 | M | A | 0.7898 | |
| 548 | Q | A | -0.2564 | |
| 549 | G | A | 0.2653 | |
| 550 | M | A | 1.8230 | |
| 551 | V | A | 3.0605 | |
| 552 | L | A | 2.7681 | |
| 553 | S | A | 1.2185 | |
| 554 | S | A | 0.5866 | |
| 555 | M | A | 0.7065 | |
| 556 | Q | A | -0.9556 | |
| 557 | H | A | -0.7514 | |
| 558 | F | A | 0.8084 | |
| 559 | S | A | -0.3650 | |
| 560 | E | A | -1.2093 | |
| 561 | A | A | -0.0823 | |
| 562 | F | A | 0.7817 | |
| 563 | H | A | -0.4829 | |
| 564 | Q | A | -0.1742 | |
| 565 | V | A | 1.6217 | |
| 566 | L | A | 1.4841 | |
| 567 | G | A | -0.3695 | |
| 568 | E | A | -2.7175 | |
| 569 | K | A | -3.5416 | |
| 570 | H | A | -3.5112 | |
| 571 | K | A | -3.5716 | |
| 572 | R | A | -3.1960 | |
| 573 | S | A | -1.6054 | |
| 574 | H | A | -0.6392 | |
| 575 | L | A | 0.5957 | |
| 576 | A | A | -0.4090 | |
| 577 | E | A | -1.7723 | |
| 578 | A | A | -1.7878 | |
| 579 | E | A | -2.6418 | |
| 580 | G | A | -2.3534 | |
| 581 | H | A | -2.8919 | |
| 582 | R | A | -3.3494 | |
| 583 | D | A | -2.8273 | |
| 584 | T | A | -1.3116 | |
| 585 | C | A | -0.9319 | |
| 586 | D | A | -2.8286 | |
| 587 | E | A | -3.6040 | |
| 588 | D | A | -2.8722 | |
| 589 | S | A | -0.3825 | |
| 590 | V | A | 1.1995 | |
| 591 | A | A | 0.1477 | |
| 592 | G | A | -1.0860 | |
| 593 | E | A | -2.5440 | |
| 594 | S | A | -2.6149 | |
| 595 | D | A | -2.8879 | |
| 596 | R | A | -2.2383 | |
| 597 | I | A | -0.4134 | |
| 598 | D | A | -2.1348 | |
| 599 | D | A | -2.5411 | |
| 600 | G | A | -1.3266 | |
| 601 | T | A | -0.0734 | |
| 602 | V | A | 0.9156 | |
| 603 | N | A | -1.0230 | |
| 604 | G | A | -1.7484 | |
| 605 | R | A | -2.4088 | |
| 606 | G | A | -1.3145 | |
| 607 | C | A | -0.0822 | |
| 608 | S | A | -0.3839 | |
| 609 | P | A | -0.8480 | |
| 610 | G | A | -1.7474 | |
| 611 | E | A | -2.2629 | |
| 612 | S | A | -1.2635 | |
| 613 | A | A | -0.8088 | |
| 614 | S | A | -0.4685 | |
| 615 | G | A | -0.5456 | |
| 616 | G | A | -0.0943 | |
| 617 | L | A | 0.6975 | |
| 618 | S | A | -0.6324 | |
| 619 | K | A | -2.0102 | |
| 620 | K | A | -1.5038 | |
| 621 | L | A | 1.2996 | |
| 622 | L | A | 2.6150 | |
| 623 | L | A | 2.3291 | |
| 624 | G | A | 0.4226 | |
| 625 | S | A | -0.2917 | |
| 626 | P | A | -0.6291 | |
| 627 | S | A | -0.1936 | |
| 628 | S | A | 0.3261 | |
| 629 | L | A | 1.2476 | |
| 630 | S | A | 0.7442 | |
| 631 | P | A | 0.8268 | |
| 632 | F | A | 1.2946 | |
| 633 | S | A | -0.5043 | |
| 634 | K | A | -1.8964 | |
| 635 | R | A | -2.1619 | |
| 636 | I | A | -0.0133 | |
| 637 | K | A | -0.8818 | |
| 638 | L | A | -0.3120 | |
| 639 | E | A | -2.6009 | |
| 640 | K | A | -2.9848 | |
| 641 | E | A | -2.3202 | |
| 642 | F | A | 0.1484 | |
| 643 | D | A | -0.6061 | |
| 644 | L | A | 0.8739 | |
| 645 | P | A | 0.0912 | |
| 646 | P | A | 0.0196 | |
| 647 | A | A | 0.2887 | |
| 648 | A | A | 0.3423 | |
| 649 | M | A | 0.6186 | |
| 650 | P | A | -0.5759 | |
| 651 | N | A | -1.8943 | |
| 652 | T | A | -1.4734 | |
| 653 | E | A | -2.2644 | |
| 654 | N | A | -1.3466 | |
| 655 | V | A | 1.2268 | |
| 656 | Y | A | 1.5711 | |
| 657 | S | A | 0.5056 | |
| 658 | Q | A | 0.2420 | |
| 659 | W | A | 1.6478 | |
| 660 | L | A | 1.8979 | |
| 661 | A | A | 0.7890 | |
| 662 | G | A | 0.4450 | |
| 663 | Y | A | 1.2327 | |
| 664 | A | A | 0.3270 | |
| 665 | A | A | -0.2362 | |
| 666 | S | A | -0.8134 | |
| 667 | R | A | -2.1871 | |
| 668 | Q | A | -1.7845 | |
| 669 | L | A | -0.8180 | |
| 670 | K | A | -2.2414 | |
| 671 | D | A | -1.9978 | |
| 672 | P | A | 0.0103 | |
| 673 | F | A | 2.3852 | |
| 674 | L | A | 2.9825 | |
| 675 | T | A | 1.9628 | |
| 676 | F | A | 1.5386 | |
| 677 | G | A | -0.2387 | |
| 678 | D | A | -2.0675 | |
| 679 | S | A | -2.3430 | |
| 680 | R | A | -2.9759 | |
| 681 | Q | A | -2.0846 | |
| 682 | S | A | -0.8802 | |
| 683 | P | A | 0.0744 | |
| 684 | F | A | 1.5910 | |
| 685 | A | A | 0.7803 | |
| 686 | S | A | -0.1074 | |
| 687 | S | A | -0.7772 | |
| 688 | S | A | -1.6600 | |
| 689 | E | A | -2.5878 | |
| 690 | H | A | -2.3290 | |
| 691 | S | A | -1.9527 | |
| 692 | S | A | -2.1276 | |
| 693 | E | A | -2.8989 | |
| 694 | N | A | -2.3679 | |
| 695 | G | A | -1.3367 | |
| 696 | S | A | -0.4083 | |
| 697 | L | A | 0.6857 | |
| 698 | R | A | -0.3303 | |
| 699 | F | A | 1.2482 | |
| 700 | S | A | 0.2414 | |
| 701 | T | A | -0.1297 | |
| 702 | P | A | -0.5143 | |
| 703 | P | A | -0.8956 | |
| 704 | G | A | -1.2384 | |
| 705 | E | A | -1.7839 | |
| 706 | L | A | -0.4866 | |
| 707 | D | A | -1.7561 | |
| 708 | G | A | -0.8311 | |
| 709 | G | A | -0.0683 | |
| 710 | I | A | 1.4843 | |
| 711 | S | A | 0.0780 | |
| 712 | G | A | -1.1617 | |
| 713 | R | A | -2.3213 | |
| 714 | S | A | -1.4571 | |
| 715 | G | A | -1.1555 | |
| 716 | T | A | -0.6323 | |
| 717 | G | A | -0.8776 | |
| 718 | S | A | -0.8058 | |
| 719 | G | A | -0.9898 | |
| 720 | G | A | -0.9589 | |
| 721 | S | A | -0.6809 | |
| 722 | T | A | -0.6568 | |
| 723 | P | A | -0.4236 | |
| 724 | H | A | -0.2102 | |
| 725 | I | A | 1.2589 | |
| 726 | S | A | 0.1301 | |
| 727 | G | A | -0.5554 | |
| 728 | P | A | -0.8914 | |
| 729 | G | A | -1.1925 | |
| 730 | P | A | -1.2521 | |
| 731 | G | A | -1.6734 | |
| 732 | R | A | -2.3599 | |
| 733 | P | A | -1.5250 | |
| 734 | S | A | -1.2738 | |
| 735 | S | A | -1.7444 | |
| 736 | K | A | -2.8298 | |
| 737 | E | A | -3.4074 | |
| 738 | G | A | -3.1891 | |
| 739 | R | A | -3.4869 | |
| 740 | R | A | -3.3533 | |
| 741 | S | A | -2.5450 | |
| 742 | D | A | -2.1649 | |
| 743 | T | A | -0.8177 | |
| 744 | C | A | 0.1326 | |
| 745 | P | A | -0.1550 | |
| 746 | S | A | -0.6720 | |
| 747 | H | A | -1.2371 | |
| 748 | T | A | -0.3794 | |
| 749 | P | A | -0.0440 | |
| 750 | V | A | 0.3940 | |
| 751 | R | A | -1.9943 | |
| 752 | R | A | -2.5821 | |
| 753 | S | A | -1.7819 | |
| 754 | T | A | -1.4018 | |
| 755 | P | A | -1.5768 | |
| 756 | R | A | -2.4456 | |
| 757 | A | A | -1.8440 | |
| 758 | Q | A | -2.0828 | |
| 759 | D | A | -1.6469 | |
| 760 | V | A | 0.8699 | |
| 761 | W | A | 1.2302 | |
| 762 | Q | A | 0.6077 | |
| 763 | F | A | 1.1688 | |
| 764 | S | A | -0.4642 | |
| 765 | D | A | -1.8302 | |
| 766 | G | A | -1.7027 | |
| 767 | S | A | -1.3209 | |
| 768 | S | A | -1.1453 | |
| 769 | R | A | -1.7618 | |
| 770 | A | A | -0.5445 | |
| 771 | L | A | 0.6164 | |
| 772 | K | A | -0.0936 | |
| 773 | F | A | 1.4927 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.1847 | 6.6249 | View | CSV | PDB |
| 4.5 | -0.2865 | 6.6249 | View | CSV | PDB |
| 5.0 | -0.4167 | 6.6249 | View | CSV | PDB |
| 5.5 | -0.5481 | 6.6249 | View | CSV | PDB |
| 6.0 | -0.6549 | 6.6249 | View | CSV | PDB |
| 6.5 | -0.7214 | 6.6249 | View | CSV | PDB |
| 7.0 | -0.7487 | 6.6249 | View | CSV | PDB |
| 7.5 | -0.7513 | 6.6249 | View | CSV | PDB |
| 8.0 | -0.7423 | 6.6249 | View | CSV | PDB |
| 8.5 | -0.7254 | 6.6249 | View | CSV | PDB |
| 9.0 | -0.6987 | 6.6249 | 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