| Chain sequence(s) |
A: ARPCIPKSFGYSSVVCVCNATYCDSFDPPTFPALGTFSRYESTRSGRRMELSMGPIQANHTGTGLLLTLQPEQKFQKVKGFGGAMTDAAALNILALSPPAQNLLLKSYFSEEGIGYNIIRVPMASCDFSIRTYTYADTPDDFQLHNFSLPEEDTKLKIPLIHRALQLAQRPVSLLASPWTSPTWLKTNGAVNGKGSLKGQPGDIYHQTWARYFVKFLDAYAEHKLQFWAVTAENEPSAGLLSGYPFQCLGFTPEHQRDFIARDLGPTLANSTHHNVRLLMLDDQRLLLPHWAKVVLTDPEAAKYVHGIAVHWYLDFLAPAKATLGETHRLFPNTMLFASEACVGSKFWEQSVRLGSWDRGMQYSHSIITNLLYHVVGWTDWNLALNPEGGPNWVRNFVDSPIIVDITKDTFYKQPMFYHLGHFSKFIPEGSQRVGLVASQKNDLDAVALMHPDGSAVVVVLNRSSKDVPLTIKDPAVGFLETISPGYSIHTYLWHRQ
B: ARPCIPKSFGYSSVVCVCNATYCDSFDFPALGTFSRYESTRSGRRMELSMGPIQANHTGTGLLLTLQPEQKFQKVKGFGGAMTDAAALNILALSPPAQNLLLKSYFSEEGIGYNIIRVPMASCDFSIRTYTYADTPDDFQLHNFSLPEEDTKLKIPLIHRALQLAQRPVSLLASPWTSPTWLKTNGAVNGKGSLKGQPGDIYHQTWARYFVKFLDAYAEHKLQFWAVTAENEPSAGLLSGYPFQCLGFTPEHQRDFIARDLGPTLANSTHHNVRLLMLDDQRLLLPHWAKVVLTDPEAAKYVHGIAVHWYLDFLAPAKATLGETHRLFPNTMLFASEACVGSKFWEQSVRLGSWDRGMQYSHSIITNLLYHVVGWTDWNLALNPEGGPNWVRNFVDSPIIVDITKDTFYKQPMFYHLGHFSKFIPEGSQRVGLVASQKNDLDAVALMHPDGSAVVVVLNRSSKDVPLTIKDPAVGFLETISPGYSIHTYLWHRQ input PDB |
| Selected Chain(s) | A,B |
| 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 all 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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:42)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e3f5a4b46351628/tmp/folded.pdb (00:10:42)
[INFO] Main: Simulation completed successfully. (00:20:09)
|
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 | A | A | -1.2894 | |
| 2 | R | A | -1.7827 | |
| 3 | P | A | -0.9935 | |
| 4 | C | A | 0.0496 | |
| 5 | I | A | 0.8786 | |
| 6 | P | A | -0.0322 | |
| 7 | K | A | -0.6081 | |
| 8 | S | A | -0.1321 | |
| 9 | F | A | 0.6891 | |
| 10 | G | A | 0.1203 | |
| 11 | Y | A | 0.4598 | |
| 12 | S | A | -0.3450 | |
| 13 | S | A | -0.3455 | |
| 14 | V | A | 0.3561 | |
| 15 | V | A | 0.0000 | |
| 16 | C | A | 0.0000 | |
| 17 | V | A | 0.2900 | |
| 18 | C | A | 0.0000 | |
| 19 | N | A | -1.0171 | |
| 20 | A | A | -0.8133 | |
| 21 | T | A | -0.1816 | |
| 22 | Y | A | 0.1201 | |
| 23 | C | A | 0.0431 | |
| 24 | D | A | 0.0000 | |
| 25 | S | A | -1.3120 | |
| 26 | F | A | 0.0000 | |
| 27 | D | A | -1.2075 | |
| 28 | P | A | -1.0754 | |
| 29 | P | A | -0.4488 | |
| 30 | T | A | 0.8711 | |
| 31 | F | A | 2.0309 | |
| 32 | P | A | 1.0779 | |
| 33 | A | A | 1.1792 | |
| 34 | L | A | 1.4673 | |
| 35 | G | A | 0.3232 | |
| 36 | T | A | 0.2188 | |
| 37 | F | A | 0.0000 | |
| 38 | S | A | 0.0000 | |
| 39 | R | A | -0.7269 | |
| 40 | Y | A | 0.0000 | |
| 41 | E | A | -1.1849 | |
| 42 | S | A | 0.0000 | |
| 43 | T | A | -1.1736 | |
| 44 | R | A | -1.5340 | |
| 45 | S | A | -1.0635 | |
| 46 | G | A | -1.2910 | |
| 47 | R | A | -2.2323 | |
| 48 | R | A | -1.6284 | |
| 49 | M | A | 0.0000 | |
| 50 | E | A | -1.6122 | |
| 51 | L | A | 0.2246 | |
| 52 | S | A | 0.0149 | |
| 53 | M | A | 0.1467 | |
| 54 | G | A | 0.0000 | |
| 55 | P | A | -0.1974 | |
| 56 | I | A | -0.1951 | |
| 57 | Q | A | -1.1253 | |
| 58 | A | A | -0.7808 | |
| 59 | N | A | -1.6111 | |
| 60 | H | A | -1.2357 | |
| 61 | T | A | -0.7248 | |
| 62 | G | A | -0.9539 | |
| 63 | T | A | -0.4904 | |
| 64 | G | A | -0.5031 | |
| 65 | L | A | -0.4753 | |
| 66 | L | A | -0.0975 | |
| 67 | L | A | 0.0000 | |
| 68 | T | A | 0.2318 | |
| 69 | L | A | 0.0000 | |
| 70 | Q | A | -1.4071 | |
| 71 | P | A | 0.0000 | |
| 72 | E | A | -2.9279 | |
| 73 | Q | A | -2.8343 | |
| 74 | K | A | -2.7335 | |
| 75 | F | A | -0.9329 | |
| 76 | Q | A | 0.0000 | |
| 77 | K | A | -2.3612 | |
| 78 | V | A | 0.0000 | |
| 79 | K | A | -1.6611 | |
| 80 | G | A | 0.0000 | |
| 81 | F | A | 0.0000 | |
| 82 | G | A | 0.0000 | |
| 83 | G | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | M | A | 0.0000 | |
| 86 | T | A | 0.0000 | |
| 87 | D | A | 0.0000 | |
| 88 | A | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | A | A | 0.0000 | |
| 91 | L | A | 1.0515 | |
| 92 | N | A | 0.0000 | |
| 93 | I | A | 0.0000 | |
| 94 | L | A | 0.8930 | |
| 95 | A | A | 0.4200 | |
| 96 | L | A | 0.0000 | |
| 97 | S | A | -0.7669 | |
| 98 | P | A | -0.5403 | |
| 99 | P | A | -0.5732 | |
| 100 | A | A | 0.0000 | |
| 101 | Q | A | -0.5362 | |
| 102 | N | A | -0.6385 | |
| 103 | L | A | -0.2587 | |
| 104 | L | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | K | A | -1.2164 | |
| 107 | S | A | 0.0000 | |
| 108 | Y | A | 0.0000 | |
| 109 | F | A | 0.0000 | |
| 110 | S | A | 0.0000 | |
| 111 | E | A | -2.8084 | |
| 112 | E | A | -2.2815 | |
| 113 | G | A | 0.0000 | |
| 114 | I | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | Y | A | 0.0000 | |
| 117 | N | A | 0.0000 | |
| 118 | I | A | 0.0000 | |
| 119 | I | A | 0.0000 | |
| 120 | R | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | P | A | 0.0000 | |
| 123 | M | A | 0.0000 | |
| 124 | A | A | 0.0000 | |
| 125 | S | A | -0.1859 | |
| 126 | C | A | 0.0000 | |
| 127 | D | A | -0.4723 | |
| 128 | F | A | 0.0000 | |
| 129 | S | A | 0.0000 | |
| 130 | I | A | 0.5860 | |
| 131 | R | A | -1.0947 | |
| 132 | T | A | -0.5694 | |
| 133 | Y | A | -0.1933 | |
| 134 | T | A | -0.2276 | |
| 135 | Y | A | 0.0000 | |
| 136 | A | A | -1.3412 | |
| 137 | D | A | -2.5605 | |
| 138 | T | A | -1.7945 | |
| 139 | P | A | -1.5308 | |
| 140 | D | A | -2.2540 | |
| 141 | D | A | -2.0731 | |
| 142 | F | A | -1.0491 | |
| 143 | Q | A | -1.7984 | |
| 144 | L | A | 0.0000 | |
| 145 | H | A | -2.0668 | |
| 146 | N | A | -2.0436 | |
| 147 | F | A | -1.3225 | |
| 148 | S | A | -0.7483 | |
| 149 | L | A | -0.4945 | |
| 150 | P | A | -1.1827 | |
| 151 | E | A | -2.4545 | |
| 152 | E | A | -1.3919 | |
| 153 | D | A | 0.0000 | |
| 154 | T | A | -1.5219 | |
| 155 | K | A | -2.3152 | |
| 156 | L | A | -0.8686 | |
| 157 | K | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | P | A | -0.7856 | |
| 160 | L | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | H | A | -1.1563 | |
| 163 | R | A | -1.1926 | |
| 164 | A | A | 0.0000 | |
| 165 | L | A | -0.3570 | |
| 166 | Q | A | -1.3256 | |
| 167 | L | A | -1.1085 | |
| 168 | A | A | -1.2369 | |
| 169 | Q | A | -1.8522 | |
| 170 | R | A | -1.8420 | |
| 171 | P | A | -0.8974 | |
| 172 | V | A | -0.3436 | |
| 173 | S | A | -0.1887 | |
| 174 | L | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | A | A | 0.0000 | |
| 177 | S | A | 0.0000 | |
| 178 | P | A | 0.0000 | |
| 179 | W | A | -0.1039 | |
| 180 | T | A | -0.0218 | |
| 181 | S | A | 0.0000 | |
| 182 | P | A | 0.2520 | |
| 183 | T | A | -0.0649 | |
| 184 | W | A | -0.1223 | |
| 185 | L | A | 0.0000 | |
| 186 | K | A | 0.0000 | |
| 187 | T | A | -1.2924 | |
| 188 | N | A | -1.8311 | |
| 189 | G | A | -0.8965 | |
| 190 | A | A | -0.5331 | |
| 191 | V | A | 0.3829 | |
| 192 | N | A | -0.5644 | |
| 193 | G | A | -1.1407 | |
| 194 | K | A | -2.0089 | |
| 195 | G | A | 0.0000 | |
| 196 | S | A | -0.9981 | |
| 197 | L | A | 0.0000 | |
| 198 | K | A | -1.2552 | |
| 199 | G | A | -1.5305 | |
| 200 | Q | A | -1.9854 | |
| 201 | P | A | -1.9887 | |
| 202 | G | A | -1.9711 | |
| 203 | D | A | -1.8440 | |
| 204 | I | A | -0.2041 | |
| 205 | Y | A | -0.3108 | |
| 206 | H | A | 0.0000 | |
| 207 | Q | A | -0.7972 | |
| 208 | T | A | 0.0000 | |
| 209 | W | A | 0.0000 | |
| 210 | A | A | 0.0000 | |
| 211 | R | A | -0.6717 | |
| 212 | Y | A | 0.0000 | |
| 213 | F | A | 0.0000 | |
| 214 | V | A | -0.7394 | |
| 215 | K | A | -1.1284 | |
| 216 | F | A | 0.0000 | |
| 217 | L | A | 0.0000 | |
| 218 | D | A | -2.0608 | |
| 219 | A | A | -1.5509 | |
| 220 | Y | A | 0.0000 | |
| 221 | A | A | -2.3242 | |
| 222 | E | A | -2.8824 | |
| 223 | H | A | -2.3067 | |
| 224 | K | A | -2.8151 | |
| 225 | L | A | 0.0000 | |
| 226 | Q | A | -1.7641 | |
| 227 | F | A | -0.5233 | |
| 228 | W | A | -0.3742 | |
| 229 | A | A | 0.0000 | |
| 230 | V | A | 0.0000 | |
| 231 | T | A | 0.0000 | |
| 232 | A | A | 0.0000 | |
| 233 | E | A | 0.0000 | |
| 234 | N | A | -0.4099 | |
| 235 | E | A | -0.5510 | |
| 236 | P | A | 0.0000 | |
| 237 | S | A | 0.0990 | |
| 238 | A | A | -0.0385 | |
| 239 | G | A | 0.0000 | |
| 240 | L | A | -0.0455 | |
| 241 | L | A | -0.2762 | |
| 242 | S | A | -1.2689 | |
| 243 | G | A | -0.9645 | |
| 244 | Y | A | -0.2579 | |
| 245 | P | A | 0.1727 | |
| 246 | F | A | 1.2868 | |
| 247 | Q | A | 0.0590 | |
| 248 | C | A | 0.0000 | |
| 249 | L | A | 0.0000 | |
| 250 | G | A | 0.0000 | |
| 251 | F | A | 0.0000 | |
| 252 | T | A | -0.4270 | |
| 253 | P | A | -0.8992 | |
| 254 | E | A | -1.5638 | |
| 255 | H | A | -1.2118 | |
| 256 | Q | A | 0.0000 | |
| 257 | R | A | -1.5396 | |
| 258 | D | A | -2.1010 | |
| 259 | F | A | 0.0000 | |
| 260 | I | A | 0.0000 | |
| 261 | A | A | 0.0000 | |
| 262 | R | A | -2.4832 | |
| 263 | D | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | P | A | -0.8866 | |
| 267 | T | A | -0.8975 | |
| 268 | L | A | 0.0000 | |
| 269 | A | A | -1.3605 | |
| 270 | N | A | -1.7190 | |
| 271 | S | A | -1.3911 | |
| 272 | T | A | -1.0984 | |
| 273 | H | A | -1.5415 | |
| 274 | H | A | -2.0964 | |
| 275 | N | A | -2.0317 | |
| 276 | V | A | -1.2837 | |
| 277 | R | A | -1.2717 | |
| 278 | L | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | M | A | 0.0000 | |
| 281 | L | A | 0.0000 | |
| 282 | D | A | 0.0000 | |
| 283 | D | A | 0.0000 | |
| 284 | Q | A | 0.0000 | |
| 285 | R | A | 0.0883 | |
| 286 | L | A | 0.2789 | |
| 287 | L | A | 0.0000 | |
| 288 | L | A | 0.0000 | |
| 289 | P | A | -0.7665 | |
| 290 | H | A | -0.8414 | |
| 291 | W | A | 0.0000 | |
| 292 | A | A | 0.0000 | |
| 293 | K | A | -0.9233 | |
| 294 | V | A | -0.8341 | |
| 295 | V | A | 0.0000 | |
| 296 | L | A | -0.9267 | |
| 297 | T | A | -1.0830 | |
| 298 | D | A | -2.0291 | |
| 299 | P | A | -1.4040 | |
| 300 | E | A | -1.6595 | |
| 301 | A | A | 0.0000 | |
| 302 | A | A | -1.3284 | |
| 303 | K | A | -1.8400 | |
| 304 | Y | A | -0.7827 | |
| 305 | V | A | 0.0000 | |
| 306 | H | A | -0.8648 | |
| 307 | G | A | 0.0000 | |
| 308 | I | A | 0.0000 | |
| 309 | A | A | 0.0000 | |
| 310 | V | A | 0.0000 | |
| 311 | H | A | 0.0000 | |
| 312 | W | A | 0.4959 | |
| 313 | Y | A | 0.7997 | |
| 314 | L | A | 0.7875 | |
| 315 | D | A | 0.5295 | |
| 316 | F | A | 1.8665 | |
| 317 | L | A | 0.0000 | |
| 318 | A | A | 0.1389 | |
| 319 | P | A | -0.2887 | |
| 320 | A | A | 0.0000 | |
| 321 | K | A | -1.9164 | |
| 322 | A | A | -1.2818 | |
| 323 | T | A | 0.0000 | |
| 324 | L | A | 0.0000 | |
| 325 | G | A | -1.6367 | |
| 326 | E | A | -1.9426 | |
| 327 | T | A | 0.0000 | |
| 328 | H | A | -1.6010 | |
| 329 | R | A | -2.1221 | |
| 330 | L | A | -0.7496 | |
| 331 | F | A | -0.7755 | |
| 332 | P | A | -1.2552 | |
| 333 | N | A | -1.4634 | |
| 334 | T | A | -0.7159 | |
| 335 | M | A | -0.4392 | |
| 336 | L | A | 0.0000 | |
| 337 | F | A | 0.0000 | |
| 338 | A | A | 0.0000 | |
| 339 | S | A | 0.0000 | |
| 340 | E | A | -0.0845 | |
| 341 | A | A | 0.0000 | |
| 342 | C | A | 0.1829 | |
| 343 | V | A | 0.1570 | |
| 344 | G | A | 0.0000 | |
| 345 | S | A | -0.3353 | |
| 346 | K | A | -0.0700 | |
| 347 | F | A | 1.5722 | |
| 348 | W | A | 0.4062 | |
| 349 | E | A | -0.5847 | |
| 350 | Q | A | -1.3261 | |
| 351 | S | A | -0.9111 | |
| 352 | V | A | 0.0000 | |
| 353 | R | A | -0.6838 | |
| 354 | L | A | 0.0848 | |
| 355 | G | A | 0.0000 | |
| 356 | S | A | 0.0000 | |
| 357 | W | A | 0.0000 | |
| 358 | D | A | -2.0849 | |
| 359 | R | A | 0.0000 | |
| 360 | G | A | 0.0000 | |
| 361 | M | A | 0.0000 | |
| 362 | Q | A | -1.1442 | |
| 363 | Y | A | 0.0000 | |
| 364 | S | A | 0.0000 | |
| 365 | H | A | -0.8734 | |
| 366 | S | A | 0.0000 | |
| 367 | I | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | T | A | -0.2845 | |
| 370 | N | A | -0.0126 | |
| 371 | L | A | 0.0000 | |
| 372 | L | A | 0.1865 | |
| 373 | Y | A | -0.0134 | |
| 374 | H | A | 0.0094 | |
| 375 | V | A | 0.0000 | |
| 376 | V | A | 0.0000 | |
| 377 | G | A | 0.0000 | |
| 378 | W | A | 0.0000 | |
| 379 | T | A | 0.0000 | |
| 380 | D | A | 0.0000 | |
| 381 | W | A | 0.0000 | |
| 382 | N | A | 0.0000 | |
| 383 | L | A | 0.0000 | |
| 384 | A | A | 0.0000 | |
| 385 | L | A | 0.0000 | |
| 386 | N | A | -0.7868 | |
| 387 | P | A | -1.0013 | |
| 388 | E | A | -2.0128 | |
| 389 | G | A | 0.0000 | |
| 390 | G | A | 0.0000 | |
| 391 | P | A | -0.2674 | |
| 392 | N | A | 0.0000 | |
| 393 | W | A | -0.0632 | |
| 394 | V | A | -0.3598 | |
| 395 | R | A | -1.8614 | |
| 396 | N | A | -1.5063 | |
| 397 | F | A | -0.9537 | |
| 398 | V | A | 0.0000 | |
| 399 | D | A | 0.0000 | |
| 400 | S | A | 0.0000 | |
| 401 | P | A | 0.0000 | |
| 402 | I | A | 0.0000 | |
| 403 | I | A | 0.0000 | |
| 404 | V | A | 0.0000 | |
| 405 | D | A | -1.0583 | |
| 406 | I | A | -0.5468 | |
| 407 | T | A | -1.0980 | |
| 408 | K | A | -2.3647 | |
| 409 | D | A | -2.2980 | |
| 410 | T | A | 0.0000 | |
| 411 | F | A | 0.0000 | |
| 412 | Y | A | 0.0000 | |
| 413 | K | A | 0.0000 | |
| 414 | Q | A | 0.0000 | |
| 415 | P | A | 0.0000 | |
| 416 | M | A | 0.0000 | |
| 417 | F | A | 0.0000 | |
| 418 | Y | A | 0.0000 | |
| 419 | H | A | 0.0000 | |
| 420 | L | A | 0.0000 | |
| 421 | G | A | 0.0000 | |
| 422 | H | A | 0.0000 | |
| 423 | F | A | 0.0000 | |
| 424 | S | A | 0.0000 | |
| 425 | K | A | -0.6356 | |
| 426 | F | A | 0.0000 | |
| 427 | I | A | 0.0000 | |
| 428 | P | A | -1.2820 | |
| 429 | E | A | -2.5999 | |
| 430 | G | A | -2.0619 | |
| 431 | S | A | 0.0000 | |
| 432 | Q | A | -1.5246 | |
| 433 | R | A | -1.0085 | |
| 434 | V | A | 0.0000 | |
| 435 | G | A | 0.0000 | |
| 436 | L | A | 0.6119 | |
| 437 | V | A | 1.4084 | |
| 438 | A | A | 0.0585 | |
| 439 | S | A | -0.6643 | |
| 440 | Q | A | -1.9496 | |
| 441 | K | A | -2.8215 | |
| 442 | N | A | -2.3923 | |
| 443 | D | A | -2.7476 | |
| 444 | L | A | -1.4969 | |
| 445 | D | A | -1.1228 | |
| 446 | A | A | -0.1100 | |
| 447 | V | A | 0.0000 | |
| 448 | A | A | 0.0000 | |
| 449 | L | A | 0.0000 | |
| 450 | M | A | -0.8602 | |
| 451 | H | A | -1.3712 | |
| 452 | P | A | -1.7255 | |
| 453 | D | A | -2.2095 | |
| 454 | G | A | -1.4919 | |
| 455 | S | A | -0.7438 | |
| 456 | A | A | 0.0000 | |
| 457 | V | A | 0.0000 | |
| 458 | V | A | 0.0000 | |
| 459 | V | A | 0.0000 | |
| 460 | V | A | 0.0000 | |
| 461 | L | A | 0.0000 | |
| 462 | N | A | 0.0000 | |
| 463 | R | A | -1.8469 | |
| 464 | S | A | -1.7194 | |
| 465 | S | A | -1.5815 | |
| 466 | K | A | -2.9952 | |
| 467 | D | A | -2.2753 | |
| 468 | V | A | -1.0689 | |
| 469 | P | A | -0.1100 | |
| 470 | L | A | 0.0000 | |
| 471 | T | A | 0.0000 | |
| 472 | I | A | 0.0000 | |
| 473 | K | A | -0.4814 | |
| 474 | D | A | 0.0000 | |
| 475 | P | A | -0.3007 | |
| 476 | A | A | -0.0613 | |
| 477 | V | A | 0.2831 | |
| 478 | G | A | -0.4042 | |
| 479 | F | A | -0.6297 | |
| 480 | L | A | 0.0000 | |
| 481 | E | A | -0.8493 | |
| 482 | T | A | 0.3688 | |
| 483 | I | A | 1.2726 | |
| 484 | S | A | 0.0000 | |
| 485 | P | A | -0.9539 | |
| 486 | G | A | -1.4937 | |
| 487 | Y | A | -1.0079 | |
| 488 | S | A | 0.0000 | |
| 489 | I | A | 0.0000 | |
| 490 | H | A | 0.0000 | |
| 491 | T | A | 0.0000 | |
| 492 | Y | A | 0.0000 | |
| 493 | L | A | 0.1539 | |
| 494 | W | A | 0.0000 | |
| 495 | H | A | -0.2826 | |
| 496 | R | A | -0.8530 | |
| 497 | Q | A | -1.3690 | |
| 1 | A | B | -1.0178 | |
| 2 | R | B | -1.7383 | |
| 3 | P | B | -1.4414 | |
| 4 | C | B | -0.2194 | |
| 5 | I | B | 0.4781 | |
| 6 | P | B | -0.1894 | |
| 7 | K | B | -0.5066 | |
| 8 | S | B | -0.0907 | |
| 9 | F | B | 0.6081 | |
| 10 | G | B | 0.0021 | |
| 11 | Y | B | 0.2602 | |
| 12 | S | B | -0.2423 | |
| 13 | S | B | -0.1720 | |
| 14 | V | B | 0.1081 | |
| 15 | V | B | 0.0000 | |
| 16 | C | B | 0.0000 | |
| 17 | V | B | 0.2839 | |
| 18 | C | B | 0.0000 | |
| 19 | N | B | -0.7657 | |
| 20 | A | B | -0.3721 | |
| 21 | T | B | 0.1962 | |
| 22 | Y | B | 0.6718 | |
| 23 | C | B | 0.2231 | |
| 24 | D | B | -0.3963 | |
| 25 | S | B | -0.9129 | |
| 26 | F | B | -1.2078 | |
| 27 | D | B | -1.4521 | |
| 31 | F | B | 0.9843 | |
| 32 | P | B | 0.8501 | |
| 33 | A | B | 0.9613 | |
| 34 | L | B | 1.4849 | |
| 35 | G | B | -0.1158 | |
| 36 | T | B | 0.4222 | |
| 37 | F | B | 0.0000 | |
| 38 | S | B | 0.0000 | |
| 39 | R | B | -0.4678 | |
| 40 | Y | B | 0.0000 | |
| 41 | E | B | -1.5426 | |
| 42 | S | B | 0.0000 | |
| 43 | T | B | -1.1904 | |
| 44 | R | B | -1.3356 | |
| 45 | S | B | -1.0061 | |
| 46 | G | B | -1.5398 | |
| 47 | R | B | -2.4687 | |
| 48 | R | B | 0.0000 | |
| 49 | M | B | 0.0000 | |
| 50 | E | B | -2.3310 | |
| 51 | L | B | -0.9156 | |
| 52 | S | B | -0.3079 | |
| 53 | M | B | 0.5836 | |
| 54 | G | B | 0.0000 | |
| 55 | P | B | 0.1538 | |
| 56 | I | B | 0.6001 | |
| 57 | Q | B | -0.7498 | |
| 58 | A | B | -0.5980 | |
| 59 | N | B | -1.4593 | |
| 60 | H | B | -1.2612 | |
| 61 | T | B | -0.7702 | |
| 62 | G | B | -0.8462 | |
| 63 | T | B | -0.5501 | |
| 64 | G | B | -0.7491 | |
| 65 | L | B | 0.0000 | |
| 66 | L | B | -0.0392 | |
| 67 | L | B | 0.0000 | |
| 68 | T | B | 0.3500 | |
| 69 | L | B | 0.0000 | |
| 70 | Q | B | -1.3310 | |
| 71 | P | B | -1.7889 | |
| 72 | E | B | -2.8060 | |
| 73 | Q | B | -2.5843 | |
| 74 | K | B | -2.7526 | |
| 75 | F | B | -1.2236 | |
| 76 | Q | B | -1.2246 | |
| 77 | K | B | -2.2991 | |
| 78 | V | B | 0.0000 | |
| 79 | K | B | -1.0944 | |
| 80 | G | B | 0.0000 | |
| 81 | F | B | 0.0000 | |
| 82 | G | B | 0.0000 | |
| 83 | G | B | 0.0000 | |
| 84 | A | B | 0.0000 | |
| 85 | M | B | 0.0000 | |
| 86 | T | B | 0.0000 | |
| 87 | D | B | 0.0000 | |
| 88 | A | B | 0.0000 | |
| 89 | A | B | 0.0000 | |
| 90 | A | B | 0.0000 | |
| 91 | L | B | 0.7923 | |
| 92 | N | B | 0.0000 | |
| 93 | I | B | 0.0000 | |
| 94 | L | B | 0.5061 | |
| 95 | A | B | 0.3867 | |
| 96 | L | B | 0.0000 | |
| 97 | S | B | -0.5230 | |
| 98 | P | B | -0.4604 | |
| 99 | P | B | -0.5199 | |
| 100 | A | B | 0.0000 | |
| 101 | Q | B | 0.0000 | |
| 102 | N | B | -0.6562 | |
| 103 | L | B | -0.0856 | |
| 104 | L | B | 0.0000 | |
| 105 | L | B | 0.0000 | |
| 106 | K | B | -1.2075 | |
| 107 | S | B | -0.6971 | |
| 108 | Y | B | 0.0000 | |
| 109 | F | B | 0.0000 | |
| 110 | S | B | 0.0000 | |
| 111 | E | B | -1.8244 | |
| 112 | E | B | -2.1656 | |
| 113 | G | B | 0.0000 | |
| 114 | I | B | 0.0000 | |
| 115 | G | B | -1.0617 | |
| 116 | Y | B | 0.0000 | |
| 117 | N | B | -0.3685 | |
| 118 | I | B | 0.0000 | |
| 119 | I | B | 0.0000 | |
| 120 | R | B | 0.0000 | |
| 121 | V | B | 0.0000 | |
| 122 | P | B | 0.0000 | |
| 123 | M | B | 0.0000 | |
| 124 | A | B | 0.0000 | |
| 125 | S | B | 0.0000 | |
| 126 | C | B | 0.0000 | |
| 127 | D | B | -0.2383 | |
| 128 | F | B | 0.0000 | |
| 129 | S | B | 0.0000 | |
| 130 | I | B | 0.6695 | |
| 131 | R | B | -0.1519 | |
| 132 | T | B | -0.0080 | |
| 133 | Y | B | -0.1844 | |
| 134 | T | B | -0.2582 | |
| 135 | Y | B | 0.0000 | |
| 136 | A | B | -1.3098 | |
| 137 | D | B | -2.3485 | |
| 138 | T | B | -1.6285 | |
| 139 | P | B | -1.5662 | |
| 140 | D | B | -2.1064 | |
| 141 | D | B | 0.0000 | |
| 142 | F | B | -0.8974 | |
| 143 | Q | B | -1.6826 | |
| 144 | L | B | 0.0000 | |
| 145 | H | B | -1.8060 | |
| 146 | N | B | -1.6256 | |
| 147 | F | B | -1.1065 | |
| 148 | S | B | -0.8302 | |
| 149 | L | B | -0.4964 | |
| 150 | P | B | -1.0788 | |
| 151 | E | B | -2.3387 | |
| 152 | E | B | 0.0000 | |
| 153 | D | B | 0.0000 | |
| 154 | T | B | -1.5712 | |
| 155 | K | B | -2.1391 | |
| 156 | L | B | -0.8194 | |
| 157 | K | B | 0.0000 | |
| 158 | I | B | 0.0000 | |
| 159 | P | B | -0.7025 | |
| 160 | L | B | 0.0000 | |
| 161 | I | B | 0.0000 | |
| 162 | H | B | -0.8710 | |
| 163 | R | B | -0.8563 | |
| 164 | A | B | 0.0000 | |
| 165 | L | B | -0.4223 | |
| 166 | Q | B | -1.3867 | |
| 167 | L | B | -1.1874 | |
| 168 | A | B | -1.4876 | |
| 169 | Q | B | -2.0321 | |
| 170 | R | B | -1.7210 | |
| 171 | P | B | -0.8457 | |
| 172 | V | B | -0.2088 | |
| 173 | S | B | -0.0703 | |
| 174 | L | B | 0.0000 | |
| 175 | L | B | 0.0000 | |
| 176 | A | B | 0.0000 | |
| 177 | S | B | 0.0000 | |
| 178 | P | B | 0.0000 | |
| 179 | W | B | 0.0000 | |
| 180 | T | B | 0.0000 | |
| 181 | S | B | 0.0000 | |
| 182 | P | B | 0.0000 | |
| 183 | T | B | -0.2643 | |
| 184 | W | B | -0.4790 | |
| 185 | L | B | 0.0000 | |
| 186 | K | B | 0.0000 | |
| 187 | T | B | -1.0795 | |
| 188 | N | B | -1.6124 | |
| 189 | G | B | -1.0316 | |
| 190 | A | B | -0.8383 | |
| 191 | V | B | -0.4904 | |
| 192 | N | B | -1.4937 | |
| 193 | G | B | -1.2583 | |
| 194 | K | B | -1.5776 | |
| 195 | G | B | -1.1571 | |
| 196 | S | B | -0.8520 | |
| 197 | L | B | 0.0000 | |
| 198 | K | B | -1.3763 | |
| 199 | G | B | -1.5298 | |
| 200 | Q | B | -2.0960 | |
| 201 | P | B | 0.0000 | |
| 202 | G | B | -1.8283 | |
| 203 | D | B | -1.6232 | |
| 204 | I | B | -0.1333 | |
| 205 | Y | B | -0.4664 | |
| 206 | H | B | 0.0000 | |
| 207 | Q | B | -0.9752 | |
| 208 | T | B | 0.0000 | |
| 209 | W | B | 0.0000 | |
| 210 | A | B | 0.0000 | |
| 211 | R | B | -0.7673 | |
| 212 | Y | B | 0.0000 | |
| 213 | F | B | 0.0000 | |
| 214 | V | B | -0.4898 | |
| 215 | K | B | -0.9790 | |
| 216 | F | B | 0.0000 | |
| 217 | L | B | 0.0000 | |
| 218 | D | B | -1.7909 | |
| 219 | A | B | 0.0000 | |
| 220 | Y | B | 0.0000 | |
| 221 | A | B | -2.4351 | |
| 222 | E | B | -3.0432 | |
| 223 | H | B | -2.6756 | |
| 224 | K | B | -3.0251 | |
| 225 | L | B | 0.0000 | |
| 226 | Q | B | -1.9462 | |
| 227 | F | B | 0.0000 | |
| 228 | W | B | -0.4398 | |
| 229 | A | B | 0.0000 | |
| 230 | V | B | 0.0000 | |
| 231 | T | B | 0.0000 | |
| 232 | A | B | 0.0000 | |
| 233 | E | B | 0.0000 | |
| 234 | N | B | -0.2455 | |
| 235 | E | B | -0.2431 | |
| 236 | P | B | 0.0000 | |
| 237 | S | B | 0.1992 | |
| 238 | A | B | -0.0968 | |
| 239 | G | B | 0.0000 | |
| 240 | L | B | 0.2779 | |
| 241 | L | B | 0.2220 | |
| 242 | S | B | -0.3846 | |
| 243 | G | B | -0.3757 | |
| 244 | Y | B | -0.1287 | |
| 245 | P | B | -0.1277 | |
| 246 | F | B | -0.2553 | |
| 247 | Q | B | -0.6905 | |
| 248 | C | B | 0.0000 | |
| 249 | L | B | 0.0000 | |
| 250 | G | B | 0.0000 | |
| 251 | F | B | 0.0000 | |
| 252 | T | B | -0.5022 | |
| 253 | P | B | -0.9797 | |
| 254 | E | B | -1.7666 | |
| 255 | H | B | -1.3030 | |
| 256 | Q | B | 0.0000 | |
| 257 | R | B | -1.7896 | |
| 258 | D | B | -2.2004 | |
| 259 | F | B | 0.0000 | |
| 260 | I | B | 0.0000 | |
| 261 | A | B | -2.0243 | |
| 262 | R | B | -2.6446 | |
| 263 | D | B | 0.0000 | |
| 264 | L | B | 0.0000 | |
| 265 | G | B | 0.0000 | |
| 266 | P | B | -0.9331 | |
| 267 | T | B | -0.9880 | |
| 268 | L | B | 0.0000 | |
| 269 | A | B | -1.2779 | |
| 270 | N | B | -1.5506 | |
| 271 | S | B | -1.2252 | |
| 272 | T | B | -0.9170 | |
| 273 | H | B | 0.0000 | |
| 274 | H | B | -2.0023 | |
| 275 | N | B | -1.8313 | |
| 276 | V | B | -1.1829 | |
| 277 | R | B | -1.0225 | |
| 278 | L | B | 0.0000 | |
| 279 | L | B | 0.0000 | |
| 280 | M | B | 0.0000 | |
| 281 | L | B | 0.0000 | |
| 282 | D | B | 0.0000 | |
| 283 | D | B | 0.0000 | |
| 284 | Q | B | -0.2342 | |
| 285 | R | B | 0.0000 | |
| 286 | L | B | 0.0000 | |
| 287 | L | B | 0.0000 | |
| 288 | L | B | 0.0000 | |
| 289 | P | B | 0.0000 | |
| 290 | H | B | -0.3116 | |
| 291 | W | B | 0.0000 | |
| 292 | A | B | 0.0000 | |
| 293 | K | B | -0.5410 | |
| 294 | V | B | -0.6477 | |
| 295 | V | B | 0.0000 | |
| 296 | L | B | -0.8714 | |
| 297 | T | B | -0.8820 | |
| 298 | D | B | -1.7816 | |
| 299 | P | B | -1.8064 | |
| 300 | E | B | -2.9065 | |
| 301 | A | B | 0.0000 | |
| 302 | A | B | -1.4567 | |
| 303 | K | B | -2.1692 | |
| 304 | Y | B | -0.8219 | |
| 305 | V | B | -0.6597 | |
| 306 | H | B | -0.8021 | |
| 307 | G | B | 0.0000 | |
| 308 | I | B | 0.0000 | |
| 309 | A | B | 0.0000 | |
| 310 | V | B | 0.0000 | |
| 311 | H | B | 0.0000 | |
| 312 | W | B | 0.0000 | |
| 313 | Y | B | 0.0000 | |
| 314 | L | B | -0.5173 | |
| 315 | D | B | -1.0531 | |
| 316 | F | B | 0.0055 | |
| 317 | L | B | 0.6290 | |
| 318 | A | B | 0.0904 | |
| 319 | P | B | -0.4311 | |
| 320 | A | B | -0.6503 | |
| 321 | K | B | -1.6752 | |
| 322 | A | B | -1.0570 | |
| 323 | T | B | 0.0000 | |
| 324 | L | B | 0.0000 | |
| 325 | G | B | -1.3673 | |
| 326 | E | B | -1.5810 | |
| 327 | T | B | 0.0000 | |
| 328 | H | B | -1.5332 | |
| 329 | R | B | -2.0778 | |
| 330 | L | B | -0.8734 | |
| 331 | F | B | -0.7932 | |
| 332 | P | B | -1.3298 | |
| 333 | N | B | -1.5292 | |
| 334 | T | B | -0.6280 | |
| 335 | M | B | -0.3413 | |
| 336 | L | B | 0.0000 | |
| 337 | F | B | 0.0000 | |
| 338 | A | B | 0.0000 | |
| 339 | S | B | 0.0000 | |
| 340 | E | B | 0.0000 | |
| 341 | A | B | 0.0000 | |
| 342 | C | B | 0.0000 | |
| 343 | V | B | 0.0000 | |
| 344 | G | B | 0.0000 | |
| 345 | S | B | -0.0443 | |
| 346 | K | B | 0.0653 | |
| 347 | F | B | 1.7021 | |
| 348 | W | B | 0.9702 | |
| 349 | E | B | -0.9594 | |
| 350 | Q | B | -0.6869 | |
| 351 | S | B | -0.9503 | |
| 352 | V | B | -0.9784 | |
| 353 | R | B | -1.0084 | |
| 354 | L | B | -0.1229 | |
| 355 | G | B | 0.0000 | |
| 356 | S | B | 0.0000 | |
| 357 | W | B | 0.0000 | |
| 358 | D | B | -2.1427 | |
| 359 | R | B | -1.3067 | |
| 360 | G | B | 0.0000 | |
| 361 | M | B | 0.0000 | |
| 362 | Q | B | -1.2196 | |
| 363 | Y | B | 0.0000 | |
| 364 | S | B | 0.0000 | |
| 365 | H | B | -0.7162 | |
| 366 | S | B | 0.0000 | |
| 367 | I | B | 0.0000 | |
| 368 | I | B | 0.0000 | |
| 369 | T | B | -0.2382 | |
| 370 | N | B | 0.0000 | |
| 371 | L | B | 0.0000 | |
| 372 | L | B | 0.2139 | |
| 373 | Y | B | -0.0383 | |
| 374 | H | B | -0.1052 | |
| 375 | V | B | 0.0000 | |
| 376 | V | B | -0.4209 | |
| 377 | G | B | 0.0000 | |
| 378 | W | B | 0.0000 | |
| 379 | T | B | 0.0000 | |
| 380 | D | B | 0.0000 | |
| 381 | W | B | 0.0000 | |
| 382 | N | B | 0.0000 | |
| 383 | L | B | 0.0000 | |
| 384 | A | B | 0.0000 | |
| 385 | L | B | 0.0000 | |
| 386 | N | B | -0.5219 | |
| 387 | P | B | -0.9741 | |
| 388 | E | B | -2.1605 | |
| 389 | G | B | 0.0000 | |
| 390 | G | B | 0.0000 | |
| 391 | P | B | -0.2646 | |
| 392 | N | B | -0.3587 | |
| 393 | W | B | 0.4121 | |
| 394 | V | B | 0.0119 | |
| 395 | R | B | -1.3661 | |
| 396 | N | B | -0.6932 | |
| 397 | F | B | -0.2711 | |
| 398 | V | B | 0.0000 | |
| 399 | D | B | 0.0000 | |
| 400 | S | B | 0.0000 | |
| 401 | P | B | 0.0000 | |
| 402 | I | B | 0.0000 | |
| 403 | I | B | 0.0000 | |
| 404 | V | B | 0.0000 | |
| 405 | D | B | -0.7464 | |
| 406 | I | B | 0.0342 | |
| 407 | T | B | -0.8306 | |
| 408 | K | B | -2.2418 | |
| 409 | D | B | -2.2455 | |
| 410 | T | B | 0.0000 | |
| 411 | F | B | 0.0000 | |
| 412 | Y | B | 0.0000 | |
| 413 | K | B | 0.0000 | |
| 414 | Q | B | 0.0000 | |
| 415 | P | B | 0.0000 | |
| 416 | M | B | 0.0000 | |
| 417 | F | B | 0.0000 | |
| 418 | Y | B | 0.0000 | |
| 419 | H | B | 0.0000 | |
| 420 | L | B | 0.0000 | |
| 421 | G | B | 0.0000 | |
| 422 | H | B | 0.0000 | |
| 423 | F | B | 0.0000 | |
| 424 | S | B | 0.0000 | |
| 425 | K | B | 0.0000 | |
| 426 | F | B | 0.0000 | |
| 427 | I | B | -0.2435 | |
| 428 | P | B | -1.0051 | |
| 429 | E | B | -1.7130 | |
| 430 | G | B | -1.4428 | |
| 431 | S | B | 0.0000 | |
| 432 | Q | B | -1.5065 | |
| 433 | R | B | 0.0000 | |
| 434 | V | B | 0.0000 | |
| 435 | G | B | -0.6222 | |
| 436 | L | B | 0.6123 | |
| 437 | V | B | 1.2938 | |
| 438 | A | B | 0.0051 | |
| 439 | S | B | -0.7425 | |
| 440 | Q | B | -1.8446 | |
| 441 | K | B | -2.8966 | |
| 442 | N | B | -2.8241 | |
| 443 | D | B | -2.8235 | |
| 444 | L | B | -1.7345 | |
| 445 | D | B | -1.5912 | |
| 446 | A | B | -0.3874 | |
| 447 | V | B | 0.0000 | |
| 448 | A | B | 0.0000 | |
| 449 | L | B | 0.0000 | |
| 450 | M | B | 0.0000 | |
| 451 | H | B | -1.3280 | |
| 452 | P | B | -1.4372 | |
| 453 | D | B | -2.3452 | |
| 454 | G | B | -1.6417 | |
| 455 | S | B | 0.0000 | |
| 456 | A | B | 0.0000 | |
| 457 | V | B | 0.0000 | |
| 458 | V | B | 0.0000 | |
| 459 | V | B | 0.0000 | |
| 460 | V | B | 0.0000 | |
| 461 | L | B | 0.0000 | |
| 462 | N | B | 0.0000 | |
| 463 | R | B | -1.8210 | |
| 464 | S | B | -1.4585 | |
| 465 | S | B | -1.3295 | |
| 466 | K | B | -2.3573 | |
| 467 | D | B | -1.6727 | |
| 468 | V | B | -0.6364 | |
| 469 | P | B | 0.0029 | |
| 470 | L | B | 0.0000 | |
| 471 | T | B | 0.0000 | |
| 472 | I | B | 0.0000 | |
| 473 | K | B | -0.3103 | |
| 474 | D | B | 0.0000 | |
| 475 | P | B | -0.2670 | |
| 476 | A | B | -0.1278 | |
| 477 | V | B | 0.1224 | |
| 478 | G | B | -0.0890 | |
| 479 | F | B | -0.2961 | |
| 480 | L | B | 0.0000 | |
| 481 | E | B | -0.8615 | |
| 482 | T | B | 0.0000 | |
| 483 | I | B | 0.9087 | |
| 484 | S | B | 0.0000 | |
| 485 | P | B | -0.6858 | |
| 486 | G | B | -1.1480 | |
| 487 | Y | B | -0.6933 | |
| 488 | S | B | 0.0000 | |
| 489 | I | B | 0.0000 | |
| 490 | H | B | 0.0000 | |
| 491 | T | B | 0.0000 | |
| 492 | Y | B | 0.0000 | |
| 493 | L | B | 0.1168 | |
| 494 | W | B | 0.0000 | |
| 495 | H | B | -0.9206 | |
| 496 | R | B | -1.4398 | |
| 497 | Q | B | -1.8893 |
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 | -0.2513 | 4.9147 | View | CSV | PDB |
| 4.5 | -0.291 | 4.9173 | View | CSV | PDB |
| 5.0 | -0.3378 | 4.9237 | View | CSV | PDB |
| 5.5 | -0.3829 | 4.9348 | View | CSV | PDB |
| 6.0 | -0.4181 | 4.9472 | View | CSV | PDB |
| 6.5 | -0.4374 | 4.9561 | View | CSV | PDB |
| 7.0 | -0.4414 | 4.9604 | View | CSV | PDB |
| 7.5 | -0.4356 | 4.962 | View | CSV | PDB |
| 8.0 | -0.4245 | 4.9625 | View | CSV | PDB |
| 8.5 | -0.4086 | 4.9627 | View | CSV | PDB |
| 9.0 | -0.3869 | 4.9627 | 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