| Chain sequence(s) |
A: MAKKGFSSFHRKAVSSQDTLESIELVSSANCLESVTYQDISAFPETIAVEINFRLSILRFLARKCETIVAKSIEPHRVELQQNYSRKIPSAITIYRWWLAFRKSDYNPISLAPNIKDRGNRETKVSTVVDSIMEQAVERVISGRKVNVSSAYKRVRRKVRQYNLTHGTKYTYPKYESVRKRVKKKTPFELLAAGKGERVAKREFRRMGKKILTSSVLERVEIDHTVVDLFAVHEEYRIPLGRPWLTQLVDCYSKAVIGFYLGFEPPSYVSVSLALKNAIQRKDDLISSYESIENEWLCYGIPDLLVTDNGKEFLSKAFDQACESLLINVHQNKVETPDNKPHVERNYGTINTSLLDDLPGKSFSQYLQREGYDSVGEATLTLNEIREIYLIWLVDIYHKKPNQRGTNCPNVAWKKGCQEWEPEEFSGSKDELDFKFAIVDYKQLTKVGITVYKELSYSNDRLAEYRGKKGNHKVQFKYNPECMAVIWVLDEDMNEYFTVNAIDYEYASRVSLWQHKYNMKYQAELNSAEYDEDKEIDAEIKIEEIADRSIVKTNKIRARRRGARHQENSARAKSISNANPASIQKHEDEIVSADNDDWDIDYV
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] (00:00:14)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:14)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:14)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:14)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:16)
[INFO] FoldX: Starting FoldX energy minimization (00:00:16)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:13:00)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b50a79b34dc5e0c/tmp/folded.pdb (00:13:00)
[INFO] Main: Simulation completed successfully. (00:16:37)
|
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 | 0.4895 | |
| 2 | A | A | -0.7565 | |
| 3 | K | A | -2.0997 | |
| 4 | K | A | -2.1881 | |
| 5 | G | A | -1.0552 | |
| 6 | F | A | 0.8817 | |
| 7 | S | A | 0.4673 | |
| 8 | S | A | -0.0580 | |
| 9 | F | A | 0.8789 | |
| 10 | H | A | -1.4804 | |
| 11 | R | A | -2.4056 | |
| 12 | K | A | -2.1887 | |
| 13 | A | A | -0.5822 | |
| 14 | V | A | 0.7889 | |
| 15 | S | A | -0.1569 | |
| 16 | S | A | -0.9252 | |
| 17 | Q | A | -1.8845 | |
| 18 | D | A | -2.3896 | |
| 19 | T | A | -1.0722 | |
| 20 | L | A | 0.3407 | |
| 21 | E | A | -1.1768 | |
| 22 | S | A | -0.0748 | |
| 23 | I | A | 1.5822 | |
| 24 | E | A | 0.1309 | |
| 25 | L | A | 2.0330 | |
| 26 | V | A | 1.9911 | |
| 27 | S | A | 0.5638 | |
| 28 | S | A | 0.2072 | |
| 29 | A | A | -0.0209 | |
| 30 | N | A | -0.5560 | |
| 31 | C | A | 0.2456 | |
| 32 | L | A | 0.8381 | |
| 33 | E | A | -0.6712 | |
| 34 | S | A | 0.4538 | |
| 35 | V | A | 1.7153 | |
| 36 | T | A | 0.8687 | |
| 37 | Y | A | 0.7030 | |
| 38 | Q | A | -1.4031 | |
| 39 | D | A | -1.9566 | |
| 40 | I | A | -1.0329 | |
| 41 | S | A | -1.0277 | |
| 42 | A | A | -0.7055 | |
| 43 | F | A | -0.3809 | |
| 44 | P | A | -0.6134 | |
| 45 | E | A | -1.3923 | |
| 46 | T | A | -0.4363 | |
| 47 | I | A | 0.0000 | |
| 48 | A | A | -0.2747 | |
| 49 | V | A | 0.7885 | |
| 50 | E | A | -0.0585 | |
| 51 | I | A | 0.0000 | |
| 52 | N | A | -0.6236 | |
| 53 | F | A | -0.3963 | |
| 54 | R | A | -0.5235 | |
| 55 | L | A | -0.6324 | |
| 56 | S | A | -0.9166 | |
| 57 | I | A | 0.0000 | |
| 58 | L | A | 0.0000 | |
| 59 | R | A | -2.0775 | |
| 60 | F | A | -1.6134 | |
| 61 | L | A | 0.0000 | |
| 62 | A | A | -1.9307 | |
| 63 | R | A | -2.9560 | |
| 64 | K | A | -2.9246 | |
| 65 | C | A | -1.9311 | |
| 66 | E | A | -2.2025 | |
| 67 | T | A | -1.1071 | |
| 68 | I | A | 0.0000 | |
| 69 | V | A | -0.1569 | |
| 70 | A | A | -0.5442 | |
| 71 | K | A | -1.8499 | |
| 72 | S | A | -1.7307 | |
| 73 | I | A | 0.0000 | |
| 74 | E | A | -2.3321 | |
| 75 | P | A | -1.5664 | |
| 76 | H | A | -1.5792 | |
| 77 | R | A | -1.5950 | |
| 78 | V | A | -0.2467 | |
| 79 | E | A | -1.7118 | |
| 80 | L | A | 0.0000 | |
| 81 | Q | A | -2.0177 | |
| 82 | Q | A | -2.3941 | |
| 83 | N | A | -2.1828 | |
| 84 | Y | A | -1.7148 | |
| 85 | S | A | -1.5366 | |
| 86 | R | A | -2.2254 | |
| 87 | K | A | -2.4390 | |
| 88 | I | A | 0.0000 | |
| 89 | P | A | -0.4935 | |
| 90 | S | A | -0.2376 | |
| 91 | A | A | 0.0000 | |
| 92 | I | A | 1.1482 | |
| 93 | T | A | 0.3725 | |
| 94 | I | A | 0.0000 | |
| 95 | Y | A | 0.2141 | |
| 96 | R | A | -1.0726 | |
| 97 | W | A | -0.6294 | |
| 98 | W | A | -0.4017 | |
| 99 | L | A | -0.9866 | |
| 100 | A | A | -1.3998 | |
| 101 | F | A | -1.4807 | |
| 102 | R | A | -2.8389 | |
| 103 | K | A | -2.8431 | |
| 104 | S | A | -2.1224 | |
| 105 | D | A | -2.7139 | |
| 106 | Y | A | -0.9761 | |
| 107 | N | A | -1.5642 | |
| 108 | P | A | -0.8702 | |
| 109 | I | A | -0.5845 | |
| 110 | S | A | -0.6735 | |
| 111 | L | A | 0.0000 | |
| 112 | A | A | -0.0656 | |
| 113 | P | A | -1.0456 | |
| 114 | N | A | -2.3250 | |
| 115 | I | A | -1.7006 | |
| 116 | K | A | -3.1339 | |
| 117 | D | A | -4.1065 | |
| 118 | R | A | -3.9113 | |
| 119 | G | A | -3.2863 | |
| 120 | N | A | -3.7618 | |
| 121 | R | A | -4.2208 | |
| 122 | E | A | -3.6444 | |
| 123 | T | A | -2.4602 | |
| 124 | K | A | -2.5935 | |
| 125 | V | A | -0.9186 | |
| 126 | S | A | -0.3558 | |
| 127 | T | A | -0.2893 | |
| 128 | V | A | 0.2211 | |
| 129 | V | A | 0.0000 | |
| 130 | D | A | -0.9707 | |
| 131 | S | A | -0.8157 | |
| 132 | I | A | -1.1527 | |
| 133 | M | A | 0.0000 | |
| 134 | E | A | -2.0768 | |
| 135 | Q | A | -2.2766 | |
| 136 | A | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | E | A | -2.9416 | |
| 139 | R | A | -2.5559 | |
| 140 | V | A | -1.8312 | |
| 141 | I | A | -1.3736 | |
| 142 | S | A | -2.1227 | |
| 143 | G | A | -2.4612 | |
| 144 | R | A | -3.1791 | |
| 145 | K | A | -3.0554 | |
| 146 | V | A | -1.8590 | |
| 147 | N | A | -1.6561 | |
| 148 | V | A | -1.1947 | |
| 149 | S | A | -0.9868 | |
| 150 | S | A | -1.2753 | |
| 151 | A | A | 0.0000 | |
| 152 | Y | A | -2.1480 | |
| 153 | K | A | -3.0902 | |
| 154 | R | A | -3.7176 | |
| 155 | V | A | 0.0000 | |
| 156 | R | A | -3.9158 | |
| 157 | R | A | -4.6006 | |
| 158 | K | A | -3.5636 | |
| 159 | V | A | 0.0000 | |
| 160 | R | A | -3.4497 | |
| 161 | Q | A | -2.4840 | |
| 162 | Y | A | -1.5361 | |
| 163 | N | A | -1.4678 | |
| 164 | L | A | -0.0739 | |
| 165 | T | A | -0.3891 | |
| 166 | H | A | -1.1318 | |
| 167 | G | A | -0.9086 | |
| 168 | T | A | -1.2913 | |
| 169 | K | A | -1.7617 | |
| 170 | Y | A | -0.6598 | |
| 171 | T | A | -0.6557 | |
| 172 | Y | A | -0.9963 | |
| 173 | P | A | 0.0000 | |
| 174 | K | A | -2.0575 | |
| 175 | Y | A | -1.6464 | |
| 176 | E | A | -2.2201 | |
| 177 | S | A | -1.7190 | |
| 178 | V | A | 0.0000 | |
| 179 | R | A | -2.7615 | |
| 180 | K | A | -3.0253 | |
| 181 | R | A | -2.5752 | |
| 182 | V | A | -2.3973 | |
| 183 | K | A | -3.2261 | |
| 184 | K | A | -3.3057 | |
| 185 | K | A | -2.0170 | |
| 186 | T | A | -0.7937 | |
| 187 | P | A | -0.1485 | |
| 188 | F | A | -0.0290 | |
| 189 | E | A | -0.8846 | |
| 190 | L | A | -0.2848 | |
| 191 | L | A | -0.8885 | |
| 192 | A | A | -1.7171 | |
| 193 | A | A | -1.5148 | |
| 194 | G | A | -2.0076 | |
| 195 | K | A | -2.3254 | |
| 196 | G | A | -2.5232 | |
| 197 | E | A | -3.5113 | |
| 198 | R | A | -3.9471 | |
| 199 | V | A | -2.7554 | |
| 200 | A | A | 0.0000 | |
| 201 | K | A | -4.2404 | |
| 202 | R | A | -4.2503 | |
| 203 | E | A | -3.2862 | |
| 204 | F | A | -1.9224 | |
| 205 | R | A | -3.6027 | |
| 206 | R | A | -2.9656 | |
| 207 | M | A | -1.3856 | |
| 208 | G | A | -1.6848 | |
| 209 | K | A | -2.0154 | |
| 210 | K | A | -1.3743 | |
| 211 | I | A | 1.2073 | |
| 212 | L | A | 1.6639 | |
| 213 | T | A | 0.7857 | |
| 214 | S | A | -0.1215 | |
| 215 | S | A | -0.9567 | |
| 216 | V | A | 0.0000 | |
| 217 | L | A | 0.0000 | |
| 218 | E | A | -1.3255 | |
| 219 | R | A | 0.0000 | |
| 220 | V | A | 0.0000 | |
| 221 | E | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | D | A | -0.8590 | |
| 224 | H | A | -0.4019 | |
| 225 | T | A | -0.2258 | |
| 226 | V | A | 0.1897 | |
| 227 | V | A | 0.0000 | |
| 228 | D | A | -0.6324 | |
| 229 | L | A | 0.0000 | |
| 230 | F | A | -0.1309 | |
| 231 | A | A | 0.0000 | |
| 232 | V | A | 0.0000 | |
| 233 | H | A | 0.0000 | |
| 234 | E | A | -3.2269 | |
| 235 | E | A | -2.9770 | |
| 236 | Y | A | -1.4686 | |
| 237 | R | A | -2.4382 | |
| 238 | I | A | -0.8808 | |
| 239 | P | A | -0.7383 | |
| 240 | L | A | 0.0000 | |
| 241 | G | A | 0.0000 | |
| 242 | R | A | -0.5006 | |
| 243 | P | A | 0.0000 | |
| 244 | W | A | 0.1262 | |
| 245 | L | A | 0.0000 | |
| 246 | T | A | 0.0000 | |
| 247 | Q | A | 0.0000 | |
| 248 | L | A | 0.0000 | |
| 249 | V | A | 0.0000 | |
| 250 | D | A | 0.0000 | |
| 251 | C | A | 0.0000 | |
| 252 | Y | A | 0.3656 | |
| 253 | S | A | 0.0000 | |
| 254 | K | A | -0.5809 | |
| 255 | A | A | 0.0000 | |
| 256 | V | A | 0.0000 | |
| 257 | I | A | 0.0000 | |
| 258 | G | A | 0.0000 | |
| 259 | F | A | 0.0000 | |
| 260 | Y | A | 0.0000 | |
| 261 | L | A | 0.0000 | |
| 262 | G | A | 0.0000 | |
| 263 | F | A | 0.0000 | |
| 264 | E | A | 0.0000 | |
| 265 | P | A | -0.0614 | |
| 266 | P | A | -0.3664 | |
| 267 | S | A | -0.3865 | |
| 268 | Y | A | 0.0000 | |
| 269 | V | A | 0.3373 | |
| 270 | S | A | 0.0000 | |
| 271 | V | A | 0.0000 | |
| 272 | S | A | 0.0000 | |
| 273 | L | A | 0.3326 | |
| 274 | A | A | 0.0000 | |
| 275 | L | A | 0.0000 | |
| 276 | K | A | 0.0000 | |
| 277 | N | A | -0.3590 | |
| 278 | A | A | 0.0000 | |
| 279 | I | A | 0.0000 | |
| 280 | Q | A | -1.6965 | |
| 281 | R | A | -2.3071 | |
| 282 | K | A | 0.0000 | |
| 283 | D | A | -3.1615 | |
| 284 | D | A | -2.7390 | |
| 285 | L | A | -1.3164 | |
| 286 | I | A | -1.9446 | |
| 287 | S | A | -1.7537 | |
| 288 | S | A | -1.2124 | |
| 289 | Y | A | -1.2872 | |
| 290 | E | A | -2.2454 | |
| 291 | S | A | -1.4515 | |
| 292 | I | A | 0.0000 | |
| 293 | E | A | -2.6336 | |
| 294 | N | A | -2.0562 | |
| 295 | E | A | -2.5857 | |
| 296 | W | A | 0.0000 | |
| 297 | L | A | -0.9911 | |
| 298 | C | A | 0.0000 | |
| 299 | Y | A | -0.7540 | |
| 300 | G | A | 0.0000 | |
| 301 | I | A | -0.8884 | |
| 302 | P | A | 0.0000 | |
| 303 | D | A | -1.8648 | |
| 304 | L | A | -0.9917 | |
| 305 | L | A | 0.0000 | |
| 306 | V | A | 0.0000 | |
| 307 | T | A | 0.0000 | |
| 308 | D | A | -1.8484 | |
| 309 | N | A | -1.6788 | |
| 310 | G | A | -1.2429 | |
| 311 | K | A | -1.8047 | |
| 312 | E | A | -1.1879 | |
| 313 | F | A | 0.0000 | |
| 314 | L | A | -0.8020 | |
| 315 | S | A | -1.4067 | |
| 316 | K | A | -2.2645 | |
| 317 | A | A | 0.0000 | |
| 318 | F | A | 0.0000 | |
| 319 | D | A | -3.0528 | |
| 320 | Q | A | -2.6210 | |
| 321 | A | A | 0.0000 | |
| 322 | C | A | 0.0000 | |
| 323 | E | A | -2.2739 | |
| 324 | S | A | -1.0362 | |
| 325 | L | A | 0.0000 | |
| 326 | L | A | 0.0393 | |
| 327 | I | A | 0.0000 | |
| 328 | N | A | -1.9030 | |
| 329 | V | A | -1.1994 | |
| 330 | H | A | -1.3871 | |
| 331 | Q | A | -1.5116 | |
| 332 | N | A | -1.9399 | |
| 333 | K | A | -1.9620 | |
| 334 | V | A | -0.4043 | |
| 335 | E | A | -1.8967 | |
| 336 | T | A | -1.8113 | |
| 337 | P | A | -1.9052 | |
| 338 | D | A | -2.3987 | |
| 339 | N | A | -1.7446 | |
| 340 | K | A | -1.6398 | |
| 341 | P | A | -1.8242 | |
| 342 | H | A | -1.4117 | |
| 343 | V | A | 0.0000 | |
| 344 | E | A | -2.5953 | |
| 345 | R | A | -1.9093 | |
| 346 | N | A | 0.0000 | |
| 347 | Y | A | -1.0996 | |
| 348 | G | A | -1.2106 | |
| 349 | T | A | -0.9864 | |
| 350 | I | A | 0.0000 | |
| 351 | N | A | -1.6392 | |
| 352 | T | A | -1.3397 | |
| 353 | S | A | -1.0518 | |
| 354 | L | A | -0.8124 | |
| 355 | L | A | 0.0000 | |
| 356 | D | A | -2.8958 | |
| 357 | D | A | -2.7070 | |
| 358 | L | A | -1.3784 | |
| 359 | P | A | -1.1293 | |
| 360 | G | A | 0.0000 | |
| 361 | K | A | -1.4033 | |
| 362 | S | A | -1.0971 | |
| 363 | F | A | -1.0452 | |
| 364 | S | A | -0.7999 | |
| 365 | Q | A | -1.0595 | |
| 366 | Y | A | 0.1987 | |
| 367 | L | A | 0.0932 | |
| 368 | Q | A | -1.5955 | |
| 369 | R | A | -2.3650 | |
| 370 | E | A | -2.4322 | |
| 371 | G | A | -1.5489 | |
| 372 | Y | A | -1.1562 | |
| 373 | D | A | -2.1664 | |
| 374 | S | A | -1.2076 | |
| 375 | V | A | -0.4069 | |
| 376 | G | A | -1.2448 | |
| 377 | E | A | -1.8282 | |
| 378 | A | A | -1.0965 | |
| 379 | T | A | -0.8924 | |
| 380 | L | A | -0.7587 | |
| 381 | T | A | 0.0000 | |
| 382 | L | A | 0.0000 | |
| 383 | N | A | -1.4198 | |
| 384 | E | A | -1.3207 | |
| 385 | I | A | 0.0000 | |
| 386 | R | A | -0.8655 | |
| 387 | E | A | -0.9586 | |
| 388 | I | A | 0.0278 | |
| 389 | Y | A | 0.0000 | |
| 390 | L | A | 0.0000 | |
| 391 | I | A | 0.1886 | |
| 392 | W | A | 0.0000 | |
| 393 | L | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | D | A | -1.1211 | |
| 396 | I | A | -0.2120 | |
| 397 | Y | A | -0.6492 | |
| 398 | H | A | 0.0000 | |
| 399 | K | A | -1.9776 | |
| 400 | K | A | -2.5438 | |
| 401 | P | A | -2.3415 | |
| 402 | N | A | -2.7522 | |
| 403 | Q | A | -2.8730 | |
| 404 | R | A | -3.0009 | |
| 405 | G | A | -2.4615 | |
| 406 | T | A | -1.5786 | |
| 407 | N | A | -1.6319 | |
| 408 | C | A | -1.0035 | |
| 409 | P | A | 0.0000 | |
| 410 | N | A | -1.0520 | |
| 411 | V | A | -0.2234 | |
| 412 | A | A | 0.0000 | |
| 413 | W | A | 0.0000 | |
| 414 | K | A | -2.7509 | |
| 415 | K | A | -3.1445 | |
| 416 | G | A | 0.0000 | |
| 417 | C | A | -2.6330 | |
| 418 | Q | A | -3.4090 | |
| 419 | E | A | -3.2745 | |
| 420 | W | A | -2.4258 | |
| 421 | E | A | -3.3816 | |
| 422 | P | A | -2.6475 | |
| 423 | E | A | -3.1657 | |
| 424 | E | A | -2.9838 | |
| 425 | F | A | -1.6031 | |
| 426 | S | A | -1.2225 | |
| 427 | G | A | -1.3810 | |
| 428 | S | A | -1.7241 | |
| 429 | K | A | -2.3756 | |
| 430 | D | A | -2.4405 | |
| 431 | E | A | -2.6188 | |
| 432 | L | A | 0.0000 | |
| 433 | D | A | 0.0000 | |
| 434 | F | A | -0.8011 | |
| 435 | K | A | -1.2386 | |
| 436 | F | A | 0.0000 | |
| 437 | A | A | 0.0000 | |
| 438 | I | A | -0.0403 | |
| 439 | V | A | 0.0308 | |
| 440 | D | A | 0.1187 | |
| 441 | Y | A | 0.0492 | |
| 442 | K | A | -1.1870 | |
| 443 | Q | A | -2.2828 | |
| 444 | L | A | 0.0000 | |
| 445 | T | A | -1.7282 | |
| 446 | K | A | -1.6885 | |
| 447 | V | A | 0.2098 | |
| 448 | G | A | 0.0000 | |
| 449 | I | A | 0.0000 | |
| 450 | T | A | -0.8599 | |
| 451 | V | A | 0.0000 | |
| 452 | Y | A | -0.9975 | |
| 453 | K | A | -2.4394 | |
| 454 | E | A | -2.5028 | |
| 455 | L | A | 0.0000 | |
| 456 | S | A | -0.3585 | |
| 457 | Y | A | 0.0000 | |
| 458 | S | A | -0.4604 | |
| 459 | N | A | -1.3431 | |
| 460 | D | A | -2.6822 | |
| 461 | R | A | -2.1797 | |
| 462 | L | A | 0.0000 | |
| 463 | A | A | -2.4660 | |
| 464 | E | A | -3.4347 | |
| 465 | Y | A | 0.0000 | |
| 466 | R | A | -3.3687 | |
| 467 | G | A | -3.1273 | |
| 468 | K | A | -3.4692 | |
| 469 | K | A | -3.2784 | |
| 470 | G | A | -3.0026 | |
| 471 | N | A | -3.1126 | |
| 472 | H | A | -2.5497 | |
| 473 | K | A | -2.4897 | |
| 474 | V | A | 0.0000 | |
| 475 | Q | A | -0.5520 | |
| 476 | F | A | 0.0000 | |
| 477 | K | A | 0.0000 | |
| 478 | Y | A | 0.0000 | |
| 479 | N | A | 0.0000 | |
| 480 | P | A | 0.1788 | |
| 481 | E | A | 0.0000 | |
| 482 | C | A | 0.0000 | |
| 483 | M | A | 0.0000 | |
| 484 | A | A | 0.0000 | |
| 485 | V | A | 0.3768 | |
| 486 | I | A | 0.0000 | |
| 487 | W | A | 0.2672 | |
| 488 | V | A | 0.0000 | |
| 489 | L | A | -0.8110 | |
| 490 | D | A | 0.0000 | |
| 491 | E | A | -2.5538 | |
| 492 | D | A | -2.4907 | |
| 493 | M | A | -1.1205 | |
| 494 | N | A | -2.2001 | |
| 495 | E | A | -1.6432 | |
| 496 | Y | A | -0.3869 | |
| 497 | F | A | 0.0000 | |
| 498 | T | A | -0.0393 | |
| 499 | V | A | 0.0000 | |
| 500 | N | A | -0.1176 | |
| 501 | A | A | 0.0000 | |
| 502 | I | A | 0.7286 | |
| 503 | D | A | -1.4835 | |
| 504 | Y | A | -0.8041 | |
| 505 | E | A | -1.9622 | |
| 506 | Y | A | -0.9515 | |
| 507 | A | A | 0.0000 | |
| 508 | S | A | -1.6125 | |
| 509 | R | A | -1.3740 | |
| 510 | V | A | 0.0000 | |
| 511 | S | A | 0.0000 | |
| 512 | L | A | 0.1913 | |
| 513 | W | A | 0.1177 | |
| 514 | Q | A | 0.0000 | |
| 515 | H | A | 0.0000 | |
| 516 | K | A | -0.8621 | |
| 517 | Y | A | -0.1046 | |
| 518 | N | A | 0.0000 | |
| 519 | M | A | -1.3488 | |
| 520 | K | A | -1.7632 | |
| 521 | Y | A | -0.8001 | |
| 522 | Q | A | -1.3430 | |
| 523 | A | A | -1.1667 | |
| 524 | E | A | -1.8789 | |
| 525 | L | A | -0.9504 | |
| 526 | N | A | -1.4513 | |
| 527 | S | A | -0.8904 | |
| 528 | A | A | -0.9323 | |
| 529 | E | A | -1.4579 | |
| 530 | Y | A | -1.1987 | |
| 531 | D | A | -3.2357 | |
| 532 | E | A | -4.0185 | |
| 533 | D | A | -4.1596 | |
| 534 | K | A | -4.2330 | |
| 535 | E | A | -3.5732 | |
| 536 | I | A | -1.1539 | |
| 537 | D | A | -2.2876 | |
| 538 | A | A | 0.0000 | |
| 539 | E | A | 0.0000 | |
| 540 | I | A | 0.2881 | |
| 541 | K | A | -1.9137 | |
| 542 | I | A | 0.0000 | |
| 543 | E | A | -1.1711 | |
| 544 | E | A | -2.1861 | |
| 545 | I | A | -1.2427 | |
| 546 | A | A | 0.0000 | |
| 547 | D | A | -2.1527 | |
| 548 | R | A | -2.6060 | |
| 549 | S | A | 0.0000 | |
| 550 | I | A | 0.0000 | |
| 551 | V | A | -0.8729 | |
| 552 | K | A | -2.1818 | |
| 553 | T | A | -2.1249 | |
| 554 | N | A | -2.4249 | |
| 555 | K | A | -2.8398 | |
| 556 | I | A | -1.7048 | |
| 557 | R | A | -2.7224 | |
| 558 | A | A | -2.0643 | |
| 559 | R | A | -1.9774 | |
| 560 | R | A | -1.8381 | |
| 561 | R | A | -1.6593 | |
| 562 | G | A | 0.0000 | |
| 563 | A | A | 0.0000 | |
| 564 | R | A | -0.9585 | |
| 565 | H | A | 0.0000 | |
| 566 | Q | A | -0.9511 | |
| 567 | E | A | -0.8186 | |
| 568 | N | A | -0.8751 | |
| 569 | S | A | 0.0000 | |
| 570 | A | A | -1.0958 | |
| 571 | R | A | -1.4183 | |
| 572 | A | A | 0.0000 | |
| 573 | K | A | -2.5089 | |
| 574 | S | A | -1.5529 | |
| 575 | I | A | -1.3482 | |
| 576 | S | A | -1.6397 | |
| 577 | N | A | -1.9910 | |
| 578 | A | A | -1.3590 | |
| 579 | N | A | -1.1093 | |
| 580 | P | A | -0.5145 | |
| 581 | A | A | -0.1768 | |
| 582 | S | A | -0.0493 | |
| 583 | I | A | 0.3767 | |
| 584 | Q | A | -1.7216 | |
| 585 | K | A | -2.9996 | |
| 586 | H | A | -3.6661 | |
| 587 | E | A | -4.1718 | |
| 588 | D | A | -3.2089 | |
| 589 | E | A | -1.9320 | |
| 590 | I | A | 1.0852 | |
| 591 | V | A | 1.5806 | |
| 592 | S | A | 0.4083 | |
| 593 | A | A | -0.6357 | |
| 594 | D | A | -2.6132 | |
| 595 | N | A | -3.4842 | |
| 596 | D | A | -3.6342 | |
| 597 | D | A | -2.6444 | |
| 598 | W | A | -0.6134 | |
| 599 | D | A | -1.2938 | |
| 600 | I | A | 0.9654 | |
| 601 | D | A | -0.0669 | |
| 602 | Y | A | 1.6252 | |
| 603 | V | A | 2.1737 |
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 | -1.1317 | 4.5185 | View | CSV | PDB |
| 4.5 | -1.2308 | 4.1449 | View | CSV | PDB |
| 5.0 | -1.3546 | 3.7081 | View | CSV | PDB |
| 5.5 | -1.4783 | 3.2462 | View | CSV | PDB |
| 6.0 | -1.5741 | 2.7759 | View | CSV | PDB |
| 6.5 | -1.6231 | 2.3916 | View | CSV | PDB |
| 7.0 | -1.6251 | 2.5336 | View | CSV | PDB |
| 7.5 | -1.5948 | 2.7054 | View | CSV | PDB |
| 8.0 | -1.5465 | 2.891 | View | CSV | PDB |
| 8.5 | -1.486 | 3.0811 | View | CSV | PDB |
| 9.0 | -1.4135 | 3.2705 | 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