| 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 (00:13:05)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c7c6b6103ba204/tmp/folded.pdb (00:13:05)
[INFO] Main: Simulation completed successfully. (00:20:19)
|
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 | -1.3751 | |
| 2 | R | A | -1.2093 | |
| 3 | P | A | -0.7936 | |
| 4 | C | A | 0.0893 | |
| 5 | I | A | 0.5769 | |
| 6 | P | A | -0.1094 | |
| 7 | K | A | -0.1932 | |
| 8 | S | A | 0.2677 | |
| 9 | F | A | 1.1376 | |
| 10 | G | A | 0.4019 | |
| 11 | Y | A | 0.6984 | |
| 12 | S | A | -0.2240 | |
| 13 | S | A | 0.0000 | |
| 14 | V | A | 0.2693 | |
| 15 | V | A | 0.0000 | |
| 16 | C | A | 0.0000 | |
| 17 | V | A | 0.3071 | |
| 18 | C | A | 0.0000 | |
| 19 | N | A | -0.7300 | |
| 20 | A | A | -0.4523 | |
| 21 | T | A | 0.1320 | |
| 22 | Y | A | 0.4840 | |
| 23 | C | A | 0.0000 | |
| 24 | D | A | 0.0000 | |
| 25 | S | A | -1.1760 | |
| 26 | F | A | 0.0000 | |
| 27 | D | A | -2.6586 | |
| 28 | P | A | -1.6358 | |
| 29 | P | A | -0.6747 | |
| 30 | T | A | 0.5495 | |
| 31 | F | A | 1.9400 | |
| 32 | P | A | 1.0732 | |
| 33 | A | A | 0.9024 | |
| 34 | L | A | 0.8545 | |
| 35 | G | A | 0.1982 | |
| 36 | T | A | 0.1872 | |
| 37 | F | A | 0.0000 | |
| 38 | S | A | 0.0000 | |
| 39 | R | A | -0.0889 | |
| 40 | Y | A | 0.0000 | |
| 41 | E | A | -0.6278 | |
| 42 | S | A | 0.0000 | |
| 43 | T | A | -0.8751 | |
| 44 | R | A | -1.3572 | |
| 45 | S | A | -0.9120 | |
| 46 | G | A | -0.9574 | |
| 47 | R | A | -1.3154 | |
| 48 | R | A | -0.9375 | |
| 49 | M | A | 0.0000 | |
| 50 | E | A | -1.6726 | |
| 51 | L | A | -0.1483 | |
| 52 | S | A | 0.2307 | |
| 53 | M | A | 0.7272 | |
| 54 | G | A | -0.0818 | |
| 55 | P | A | -0.1968 | |
| 56 | I | A | -0.1770 | |
| 57 | Q | A | -0.8909 | |
| 58 | A | A | -0.6428 | |
| 59 | N | A | -1.4209 | |
| 60 | H | A | -1.0898 | |
| 61 | T | A | -0.6398 | |
| 62 | G | A | -0.7769 | |
| 63 | T | A | -0.2705 | |
| 64 | G | A | 0.0419 | |
| 65 | L | A | -0.1401 | |
| 66 | L | A | 0.3401 | |
| 67 | L | A | 0.0000 | |
| 68 | T | A | 0.4839 | |
| 69 | L | A | 0.0000 | |
| 70 | Q | A | -1.2010 | |
| 71 | P | A | -1.7655 | |
| 72 | E | A | -2.8437 | |
| 73 | Q | A | -2.7050 | |
| 74 | K | A | -2.7173 | |
| 75 | F | A | -0.8844 | |
| 76 | Q | A | 0.0000 | |
| 77 | K | A | -2.1753 | |
| 78 | V | A | 0.0000 | |
| 79 | K | A | -1.1156 | |
| 80 | G | A | -0.7313 | |
| 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 | 0.9226 | |
| 92 | N | A | 0.0000 | |
| 93 | I | A | 0.0000 | |
| 94 | L | A | 0.7553 | |
| 95 | A | A | 0.2888 | |
| 96 | L | A | 0.0000 | |
| 97 | S | A | -0.6831 | |
| 98 | P | A | -0.5074 | |
| 99 | P | A | -0.5851 | |
| 100 | A | A | 0.0000 | |
| 101 | Q | A | 0.0000 | |
| 102 | N | A | -0.7500 | |
| 103 | L | A | -0.3493 | |
| 104 | L | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | K | A | -1.0805 | |
| 107 | S | A | 0.0000 | |
| 108 | Y | A | 0.0000 | |
| 109 | F | A | 0.0000 | |
| 110 | S | A | 0.0000 | |
| 111 | E | A | -2.1721 | |
| 112 | E | A | -2.0694 | |
| 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 | -0.2194 | |
| 126 | C | A | 0.0000 | |
| 127 | D | A | -0.3008 | |
| 128 | F | A | 0.0000 | |
| 129 | S | A | 0.0000 | |
| 130 | I | A | 0.0495 | |
| 131 | R | A | -1.3923 | |
| 132 | T | A | -0.6362 | |
| 133 | Y | A | -0.4891 | |
| 134 | T | A | -0.2475 | |
| 135 | Y | A | 0.0000 | |
| 136 | A | A | -1.1430 | |
| 137 | D | A | -2.3096 | |
| 138 | T | A | -1.6166 | |
| 139 | P | A | -1.4651 | |
| 140 | D | A | -2.0784 | |
| 141 | D | A | 0.0000 | |
| 142 | F | A | -0.7473 | |
| 143 | Q | A | -1.5999 | |
| 144 | L | A | 0.0000 | |
| 145 | H | A | -1.8337 | |
| 146 | N | A | -1.7364 | |
| 147 | F | A | -1.1783 | |
| 148 | S | A | -0.9351 | |
| 149 | L | A | -0.5390 | |
| 150 | P | A | -1.2340 | |
| 151 | E | A | -2.5875 | |
| 152 | E | A | -1.8081 | |
| 153 | D | A | 0.0000 | |
| 154 | T | A | -1.5604 | |
| 155 | K | A | -2.3153 | |
| 156 | L | A | -0.8471 | |
| 157 | K | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | P | A | -0.6067 | |
| 160 | L | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | H | A | -0.9540 | |
| 163 | R | A | -0.9619 | |
| 164 | A | A | 0.0000 | |
| 165 | L | A | -0.2485 | |
| 166 | Q | A | -1.1311 | |
| 167 | L | A | -0.6540 | |
| 168 | A | A | -0.7794 | |
| 169 | Q | A | -1.1958 | |
| 170 | R | A | -0.8766 | |
| 171 | P | A | -0.5159 | |
| 172 | V | A | -0.0542 | |
| 173 | S | A | -0.0559 | |
| 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 | 0.0000 | |
| 180 | T | A | 0.0209 | |
| 181 | S | A | 0.0000 | |
| 182 | P | A | 0.0432 | |
| 183 | T | A | 0.1312 | |
| 184 | W | A | -0.5462 | |
| 185 | L | A | 0.0000 | |
| 186 | K | A | 0.0000 | |
| 187 | T | A | -1.2183 | |
| 188 | N | A | -1.0997 | |
| 189 | G | A | -0.5571 | |
| 190 | A | A | -0.0309 | |
| 191 | V | A | 1.0847 | |
| 192 | N | A | -0.2574 | |
| 193 | G | A | -0.9007 | |
| 194 | K | A | -1.7754 | |
| 195 | G | A | 0.0000 | |
| 196 | S | A | -1.0576 | |
| 197 | L | A | 0.0000 | |
| 198 | K | A | -1.9139 | |
| 199 | G | A | -1.7138 | |
| 200 | Q | A | -2.1301 | |
| 201 | P | A | 0.0000 | |
| 202 | G | A | -1.6341 | |
| 203 | D | A | -1.3281 | |
| 204 | I | A | 0.2245 | |
| 205 | Y | A | -0.3758 | |
| 206 | H | A | 0.0000 | |
| 207 | Q | A | -0.7790 | |
| 208 | T | A | 0.0000 | |
| 209 | W | A | 0.0000 | |
| 210 | A | A | 0.0000 | |
| 211 | R | A | -0.8597 | |
| 212 | Y | A | 0.0000 | |
| 213 | F | A | 0.0000 | |
| 214 | V | A | -0.6490 | |
| 215 | K | A | -1.1940 | |
| 216 | F | A | 0.0000 | |
| 217 | L | A | 0.0000 | |
| 218 | D | A | -2.4458 | |
| 219 | A | A | -1.7421 | |
| 220 | Y | A | 0.0000 | |
| 221 | A | A | -2.5002 | |
| 222 | E | A | -3.0426 | |
| 223 | H | A | -2.4841 | |
| 224 | K | A | -2.9292 | |
| 225 | L | A | 0.0000 | |
| 226 | Q | A | -1.9439 | |
| 227 | F | A | 0.0000 | |
| 228 | W | A | -0.5154 | |
| 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 | -0.3195 | |
| 235 | E | A | -0.4256 | |
| 236 | P | A | 0.0000 | |
| 237 | S | A | -0.0303 | |
| 238 | A | A | -0.1649 | |
| 239 | G | A | 0.0000 | |
| 240 | L | A | -0.1686 | |
| 241 | L | A | -0.2131 | |
| 242 | S | A | -1.0948 | |
| 243 | G | A | -1.0478 | |
| 244 | Y | A | -0.2481 | |
| 245 | P | A | 0.1201 | |
| 246 | F | A | 1.0493 | |
| 247 | Q | A | 0.3161 | |
| 248 | C | A | 0.0000 | |
| 249 | L | A | 0.0000 | |
| 250 | G | A | 0.0000 | |
| 251 | F | A | 0.0000 | |
| 252 | T | A | -0.4661 | |
| 253 | P | A | 0.0000 | |
| 254 | E | A | -1.5910 | |
| 255 | H | A | -1.1019 | |
| 256 | Q | A | 0.0000 | |
| 257 | R | A | -1.4980 | |
| 258 | D | A | -1.9934 | |
| 259 | F | A | 0.0000 | |
| 260 | I | A | 0.0000 | |
| 261 | A | A | 0.0000 | |
| 262 | R | A | -2.7252 | |
| 263 | D | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | P | A | -1.0966 | |
| 267 | T | A | -0.9795 | |
| 268 | L | A | 0.0000 | |
| 269 | A | A | -1.1721 | |
| 270 | N | A | -1.5338 | |
| 271 | S | A | -1.1082 | |
| 272 | T | A | -1.0810 | |
| 273 | H | A | 0.0000 | |
| 274 | H | A | -2.0720 | |
| 275 | N | A | -2.0955 | |
| 276 | V | A | 0.0000 | |
| 277 | R | A | -1.3134 | |
| 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 | 0.0000 | |
| 286 | L | A | 0.3413 | |
| 287 | L | A | 0.2336 | |
| 288 | L | A | 0.0000 | |
| 289 | P | A | -0.6660 | |
| 290 | H | A | -0.8092 | |
| 291 | W | A | 0.0000 | |
| 292 | A | A | 0.0000 | |
| 293 | K | A | -1.0683 | |
| 294 | V | A | -0.8108 | |
| 295 | V | A | 0.0000 | |
| 296 | L | A | -0.7821 | |
| 297 | T | A | -0.8910 | |
| 298 | D | A | -1.9544 | |
| 299 | P | A | -1.8934 | |
| 300 | E | A | -2.8336 | |
| 301 | A | A | 0.0000 | |
| 302 | A | A | -1.4678 | |
| 303 | K | A | -2.1725 | |
| 304 | Y | A | -0.9990 | |
| 305 | V | A | -0.6805 | |
| 306 | H | A | -0.7263 | |
| 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 | 0.3972 | |
| 313 | Y | A | 0.4583 | |
| 314 | L | A | 0.5439 | |
| 315 | D | A | 0.3685 | |
| 316 | F | A | 0.9312 | |
| 317 | L | A | 0.0000 | |
| 318 | A | A | 0.0000 | |
| 319 | P | A | -0.6806 | |
| 320 | A | A | 0.0000 | |
| 321 | K | A | -2.0923 | |
| 322 | A | A | -1.3938 | |
| 323 | T | A | 0.0000 | |
| 324 | L | A | 0.0000 | |
| 325 | G | A | -1.8936 | |
| 326 | E | A | -2.4563 | |
| 327 | T | A | 0.0000 | |
| 328 | H | A | -1.8471 | |
| 329 | R | A | -2.2964 | |
| 330 | L | A | -0.9518 | |
| 331 | F | A | -0.8781 | |
| 332 | P | A | -1.1990 | |
| 333 | N | A | -1.4717 | |
| 334 | T | A | -0.6956 | |
| 335 | M | A | -0.4364 | |
| 336 | L | A | 0.0000 | |
| 337 | F | A | 0.0000 | |
| 338 | A | A | 0.0308 | |
| 339 | S | A | 0.0000 | |
| 340 | E | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | C | A | 0.0000 | |
| 343 | V | A | -0.0849 | |
| 344 | G | A | 0.0000 | |
| 345 | S | A | 0.0903 | |
| 346 | K | A | 0.4374 | |
| 347 | F | A | 1.3655 | |
| 348 | W | A | 0.6508 | |
| 349 | E | A | -0.5083 | |
| 350 | Q | A | -1.1705 | |
| 351 | S | A | -0.7624 | |
| 352 | V | A | -0.6146 | |
| 353 | R | A | -0.6755 | |
| 354 | L | A | 0.0000 | |
| 355 | G | A | 0.0000 | |
| 356 | S | A | 0.0000 | |
| 357 | W | A | 0.0000 | |
| 358 | D | A | -2.0912 | |
| 359 | R | A | 0.0000 | |
| 360 | G | A | 0.0000 | |
| 361 | M | A | -0.9774 | |
| 362 | Q | A | -1.2291 | |
| 363 | Y | A | 0.0000 | |
| 364 | S | A | 0.0000 | |
| 365 | H | A | -0.5931 | |
| 366 | S | A | 0.0000 | |
| 367 | I | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | T | A | -0.0943 | |
| 370 | N | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | L | A | 0.4858 | |
| 373 | Y | A | -0.1614 | |
| 374 | H | A | -0.3246 | |
| 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 | -0.4895 | |
| 387 | P | A | -0.8097 | |
| 388 | E | A | -2.0197 | |
| 389 | G | A | 0.0000 | |
| 390 | G | A | 0.0000 | |
| 391 | P | A | -0.2535 | |
| 392 | N | A | -0.3647 | |
| 393 | W | A | 0.3459 | |
| 394 | V | A | 0.2168 | |
| 395 | R | A | -1.6478 | |
| 396 | N | A | -1.0679 | |
| 397 | F | A | -0.7764 | |
| 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 | 0.0000 | |
| 406 | I | A | -0.0524 | |
| 407 | T | A | -0.9473 | |
| 408 | K | A | -2.3547 | |
| 409 | D | A | -2.3975 | |
| 410 | T | A | -1.2961 | |
| 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 | -0.7197 | |
| 426 | F | A | 0.0000 | |
| 427 | I | A | 0.0000 | |
| 428 | P | A | -0.8107 | |
| 429 | E | A | -1.6257 | |
| 430 | G | A | -1.4458 | |
| 431 | S | A | 0.0000 | |
| 432 | Q | A | -1.5277 | |
| 433 | R | A | 0.0000 | |
| 434 | V | A | 0.0000 | |
| 435 | G | A | 0.0000 | |
| 436 | L | A | 0.8274 | |
| 437 | V | A | 1.5584 | |
| 438 | A | A | 0.2442 | |
| 439 | S | A | -0.7509 | |
| 440 | Q | A | -1.9665 | |
| 441 | K | A | -2.9510 | |
| 442 | N | A | -2.6109 | |
| 443 | D | A | -2.8851 | |
| 444 | L | A | 0.0000 | |
| 445 | D | A | -0.8429 | |
| 446 | A | A | 0.0033 | |
| 447 | V | A | 0.0000 | |
| 448 | A | A | 0.0000 | |
| 449 | L | A | 0.0000 | |
| 450 | M | A | -0.8759 | |
| 451 | H | A | -1.2293 | |
| 452 | P | A | -1.4056 | |
| 453 | D | A | -2.1705 | |
| 454 | G | A | -1.4103 | |
| 455 | S | A | 0.0000 | |
| 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 | -1.6277 | |
| 464 | S | A | -1.6978 | |
| 465 | S | A | -1.7642 | |
| 466 | K | A | -3.0440 | |
| 467 | D | A | -2.3542 | |
| 468 | V | A | 0.0000 | |
| 469 | P | A | -0.0990 | |
| 470 | L | A | 0.0000 | |
| 471 | T | A | 0.0000 | |
| 472 | I | A | 0.0000 | |
| 473 | K | A | -0.3170 | |
| 474 | D | A | 0.0000 | |
| 475 | P | A | -0.2161 | |
| 476 | A | A | -0.1007 | |
| 477 | V | A | 0.0696 | |
| 478 | G | A | 0.0000 | |
| 479 | F | A | -0.4892 | |
| 480 | L | A | 0.0000 | |
| 481 | E | A | -0.5610 | |
| 482 | T | A | 0.4176 | |
| 483 | I | A | 1.2039 | |
| 484 | S | A | 0.0000 | |
| 485 | P | A | -0.9491 | |
| 486 | G | A | -1.4916 | |
| 487 | Y | A | -1.0436 | |
| 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 | 0.0000 | |
| 494 | W | A | 0.0000 | |
| 495 | H | A | -0.2432 | |
| 496 | R | A | -0.8335 | |
| 497 | Q | A | -1.3040 | |
| 1 | A | B | -1.1717 | |
| 2 | R | B | -2.0309 | |
| 3 | P | B | -1.2042 | |
| 4 | C | B | -0.3671 | |
| 5 | I | B | 0.3026 | |
| 6 | P | B | -0.1883 | |
| 7 | K | B | -0.3270 | |
| 8 | S | B | 0.2793 | |
| 9 | F | B | 1.1939 | |
| 10 | G | B | 0.3193 | |
| 11 | Y | B | 0.4477 | |
| 12 | S | B | -0.5277 | |
| 13 | S | B | 0.0000 | |
| 14 | V | B | -0.0204 | |
| 15 | V | B | 0.0000 | |
| 16 | C | B | 0.0000 | |
| 17 | V | B | 0.2173 | |
| 18 | C | B | 0.0000 | |
| 19 | N | B | -0.8865 | |
| 20 | A | B | -0.4255 | |
| 21 | T | B | 0.1233 | |
| 22 | Y | B | 0.3843 | |
| 23 | C | B | 0.0089 | |
| 24 | D | B | -0.6311 | |
| 25 | S | B | -1.1614 | |
| 26 | F | B | -1.1709 | |
| 27 | D | B | -1.2139 | |
| 31 | F | B | 0.6641 | |
| 32 | P | B | 0.8983 | |
| 33 | A | B | 0.8621 | |
| 34 | L | B | 1.4210 | |
| 35 | G | B | -0.0561 | |
| 36 | T | B | 0.0969 | |
| 37 | F | B | 0.0000 | |
| 38 | S | B | 0.0000 | |
| 39 | R | B | -0.1719 | |
| 40 | Y | B | 0.0000 | |
| 41 | E | B | -0.8197 | |
| 42 | S | B | 0.0000 | |
| 43 | T | B | 0.0000 | |
| 44 | R | B | -1.7634 | |
| 45 | S | B | -1.1800 | |
| 46 | G | B | -1.1468 | |
| 47 | R | B | -1.6982 | |
| 48 | R | B | 0.0000 | |
| 49 | M | B | -0.5637 | |
| 50 | E | B | -1.0245 | |
| 51 | L | B | 0.0697 | |
| 52 | S | B | 0.0774 | |
| 53 | M | B | 0.4204 | |
| 54 | G | B | -0.2972 | |
| 55 | P | B | -0.3639 | |
| 56 | I | B | -0.2788 | |
| 57 | Q | B | -1.1974 | |
| 58 | A | B | -0.7753 | |
| 59 | N | B | -1.7153 | |
| 60 | H | B | -1.3248 | |
| 61 | T | B | -0.9769 | |
| 62 | G | B | -0.7873 | |
| 63 | T | B | -0.3249 | |
| 64 | G | B | -0.1658 | |
| 65 | L | B | -0.2106 | |
| 66 | L | B | 0.3402 | |
| 67 | L | B | 0.0000 | |
| 68 | T | B | 0.3736 | |
| 69 | L | B | 0.0000 | |
| 70 | Q | B | -1.2702 | |
| 71 | P | B | -1.8693 | |
| 72 | E | B | -2.9104 | |
| 73 | Q | B | -2.7778 | |
| 74 | K | B | -2.6998 | |
| 75 | F | B | -0.7505 | |
| 76 | Q | B | -0.8457 | |
| 77 | K | B | -1.9469 | |
| 78 | V | B | 0.0000 | |
| 79 | K | B | -0.9829 | |
| 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 | 0.6670 | |
| 92 | N | B | 0.0000 | |
| 93 | I | B | 0.0000 | |
| 94 | L | B | 0.3690 | |
| 95 | A | B | 0.3432 | |
| 96 | L | B | 0.0000 | |
| 97 | S | B | -0.5302 | |
| 98 | P | B | -0.5394 | |
| 99 | P | B | -0.5535 | |
| 100 | A | B | 0.0000 | |
| 101 | Q | B | -0.5822 | |
| 102 | N | B | -0.8963 | |
| 103 | L | B | -0.5229 | |
| 104 | L | B | 0.0000 | |
| 105 | L | B | 0.0000 | |
| 106 | K | B | -1.2516 | |
| 107 | S | B | 0.0000 | |
| 108 | Y | B | 0.0000 | |
| 109 | F | B | 0.0000 | |
| 110 | S | B | 0.0000 | |
| 111 | E | B | -2.5200 | |
| 112 | E | B | -2.4839 | |
| 113 | G | B | 0.0000 | |
| 114 | I | B | 0.0000 | |
| 115 | G | B | 0.0000 | |
| 116 | Y | B | 0.0000 | |
| 117 | N | B | 0.0000 | |
| 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 | -0.4163 | |
| 128 | F | B | 0.0000 | |
| 129 | S | B | 0.0000 | |
| 130 | I | B | 0.4112 | |
| 131 | R | B | -0.5249 | |
| 132 | T | B | -0.1514 | |
| 133 | Y | B | -0.3748 | |
| 134 | T | B | -0.4514 | |
| 135 | Y | B | 0.0000 | |
| 136 | A | B | 0.0000 | |
| 137 | D | B | -2.2472 | |
| 138 | T | B | -1.7298 | |
| 139 | P | B | -1.6258 | |
| 140 | D | B | -2.0833 | |
| 141 | D | B | -1.7612 | |
| 142 | F | B | -0.5474 | |
| 143 | Q | B | -1.6576 | |
| 144 | L | B | 0.0000 | |
| 145 | H | B | -1.8289 | |
| 146 | N | B | -2.2000 | |
| 147 | F | B | -1.3508 | |
| 148 | S | B | -0.8842 | |
| 149 | L | B | -0.1107 | |
| 150 | P | B | -0.7561 | |
| 151 | E | B | -1.6306 | |
| 152 | E | B | 0.0000 | |
| 153 | D | B | 0.0000 | |
| 154 | T | B | -1.3142 | |
| 155 | K | B | -1.9706 | |
| 156 | L | B | -0.7509 | |
| 157 | K | B | 0.0000 | |
| 158 | I | B | 0.0000 | |
| 159 | P | B | -0.6604 | |
| 160 | L | B | 0.0000 | |
| 161 | I | B | 0.0000 | |
| 162 | H | B | -0.7954 | |
| 163 | R | B | -0.8843 | |
| 164 | A | B | 0.0000 | |
| 165 | L | B | -0.3000 | |
| 166 | Q | B | -1.2394 | |
| 167 | L | B | -1.2719 | |
| 168 | A | B | -1.4702 | |
| 169 | Q | B | -1.8256 | |
| 170 | R | B | -1.4430 | |
| 171 | P | B | -0.7787 | |
| 172 | V | B | -0.1687 | |
| 173 | S | B | -0.1522 | |
| 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 | -0.5624 | |
| 184 | W | B | -0.8759 | |
| 185 | L | B | 0.0000 | |
| 186 | K | B | 0.0000 | |
| 187 | T | B | -1.2164 | |
| 188 | N | B | -1.7243 | |
| 189 | G | B | -0.9579 | |
| 190 | A | B | -0.7711 | |
| 191 | V | B | -0.3230 | |
| 192 | N | B | -0.9931 | |
| 193 | G | B | -1.1315 | |
| 194 | K | B | -1.7416 | |
| 195 | G | B | -1.2740 | |
| 196 | S | B | -0.9319 | |
| 197 | L | B | 0.0000 | |
| 198 | K | B | -1.3071 | |
| 199 | G | B | -1.4690 | |
| 200 | Q | B | -1.9493 | |
| 201 | P | B | -1.9222 | |
| 202 | G | B | -1.7486 | |
| 203 | D | B | -1.2773 | |
| 204 | I | B | 0.2083 | |
| 205 | Y | B | -0.3815 | |
| 206 | H | B | 0.0000 | |
| 207 | Q | B | -0.6986 | |
| 208 | T | B | 0.0000 | |
| 209 | W | B | 0.0000 | |
| 210 | A | B | 0.0000 | |
| 211 | R | B | -1.4044 | |
| 212 | Y | B | 0.0000 | |
| 213 | F | B | 0.0000 | |
| 214 | V | B | -1.0797 | |
| 215 | K | B | -1.3900 | |
| 216 | F | B | 0.0000 | |
| 217 | L | B | 0.0000 | |
| 218 | D | B | -2.3363 | |
| 219 | A | B | -1.6901 | |
| 220 | Y | B | 0.0000 | |
| 221 | A | B | -2.5785 | |
| 222 | E | B | -3.0264 | |
| 223 | H | B | -2.4900 | |
| 224 | K | B | -2.9647 | |
| 225 | L | B | 0.0000 | |
| 226 | Q | B | -2.0015 | |
| 227 | F | B | 0.0000 | |
| 228 | W | B | -0.6072 | |
| 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 | -0.2887 | |
| 235 | E | B | -0.3908 | |
| 236 | P | B | 0.0000 | |
| 237 | S | B | 0.0499 | |
| 238 | A | B | -0.0863 | |
| 239 | G | B | 0.0000 | |
| 240 | L | B | 0.3200 | |
| 241 | L | B | 0.1826 | |
| 242 | S | B | -0.6607 | |
| 243 | G | B | -0.4005 | |
| 244 | Y | B | -0.0270 | |
| 245 | P | B | -0.3632 | |
| 246 | F | B | -0.1048 | |
| 247 | Q | B | -0.3687 | |
| 248 | C | B | 0.0000 | |
| 249 | L | B | 0.0000 | |
| 250 | G | B | 0.0000 | |
| 251 | F | B | 0.0000 | |
| 252 | T | B | -0.5144 | |
| 253 | P | B | -1.1969 | |
| 254 | E | B | -2.2442 | |
| 255 | H | B | -1.6654 | |
| 256 | Q | B | 0.0000 | |
| 257 | R | B | -1.9377 | |
| 258 | D | B | -2.6921 | |
| 259 | F | B | 0.0000 | |
| 260 | I | B | 0.0000 | |
| 261 | A | B | -2.2294 | |
| 262 | R | B | -2.6753 | |
| 263 | D | B | 0.0000 | |
| 264 | L | B | 0.0000 | |
| 265 | G | B | 0.0000 | |
| 266 | P | B | -0.9157 | |
| 267 | T | B | -1.1554 | |
| 268 | L | B | 0.0000 | |
| 269 | A | B | -1.2498 | |
| 270 | N | B | -1.5382 | |
| 271 | S | B | -1.5015 | |
| 272 | T | B | -1.1545 | |
| 273 | H | B | 0.0000 | |
| 274 | H | B | -2.1105 | |
| 275 | N | B | -2.0230 | |
| 276 | V | B | 0.0000 | |
| 277 | R | B | -1.6749 | |
| 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 | -0.2020 | |
| 285 | R | B | 0.0000 | |
| 286 | L | B | 0.0000 | |
| 287 | L | B | 0.0000 | |
| 288 | L | B | 0.0000 | |
| 289 | P | B | -0.5060 | |
| 290 | H | B | -0.6156 | |
| 291 | W | B | 0.0000 | |
| 292 | A | B | 0.0000 | |
| 293 | K | B | -0.9117 | |
| 294 | V | B | -0.5428 | |
| 295 | V | B | 0.0000 | |
| 296 | L | B | -0.8086 | |
| 297 | T | B | -0.7313 | |
| 298 | D | B | -1.5827 | |
| 299 | P | B | -1.5401 | |
| 300 | E | B | -2.4544 | |
| 301 | A | B | 0.0000 | |
| 302 | A | B | -1.5267 | |
| 303 | K | B | -2.2684 | |
| 304 | Y | B | -1.1635 | |
| 305 | V | B | 0.0000 | |
| 306 | H | B | -1.2182 | |
| 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 | 0.0000 | |
| 315 | D | B | -0.0314 | |
| 316 | F | B | 0.5091 | |
| 317 | L | B | 0.8694 | |
| 318 | A | B | 0.1746 | |
| 319 | P | B | -0.4350 | |
| 320 | A | B | 0.0000 | |
| 321 | K | B | -1.8988 | |
| 322 | A | B | -1.1764 | |
| 323 | T | B | 0.0000 | |
| 324 | L | B | 0.0000 | |
| 325 | G | B | -1.5489 | |
| 326 | E | B | -1.7627 | |
| 327 | T | B | 0.0000 | |
| 328 | H | B | -1.7714 | |
| 329 | R | B | -2.0816 | |
| 330 | L | B | -0.9090 | |
| 331 | F | B | -0.7505 | |
| 332 | P | B | -1.0123 | |
| 333 | N | B | -1.5200 | |
| 334 | T | B | -0.8152 | |
| 335 | M | B | -0.2515 | |
| 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 | 0.0000 | |
| 346 | K | B | -1.1706 | |
| 347 | F | B | -0.0331 | |
| 348 | W | B | -0.1710 | |
| 349 | E | B | -1.9307 | |
| 350 | Q | B | -1.5412 | |
| 351 | S | B | -1.3986 | |
| 352 | V | B | -1.0555 | |
| 353 | R | B | -1.2065 | |
| 354 | L | B | 0.0000 | |
| 355 | G | B | 0.0000 | |
| 356 | S | B | 0.0000 | |
| 357 | W | B | 0.0000 | |
| 358 | D | B | -2.2535 | |
| 359 | R | B | -1.4398 | |
| 360 | G | B | 0.0000 | |
| 361 | M | B | 0.0000 | |
| 362 | Q | B | -1.0902 | |
| 363 | Y | B | 0.0000 | |
| 364 | S | B | 0.0000 | |
| 365 | H | B | -0.6223 | |
| 366 | S | B | 0.0000 | |
| 367 | I | B | 0.0000 | |
| 368 | I | B | 0.0000 | |
| 369 | T | B | -0.0624 | |
| 370 | N | B | 0.0000 | |
| 371 | L | B | 0.0000 | |
| 372 | L | B | 0.5731 | |
| 373 | Y | B | 0.0565 | |
| 374 | H | B | 0.0238 | |
| 375 | V | B | 0.0000 | |
| 376 | V | B | -0.4182 | |
| 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 | -0.8741 | |
| 387 | P | B | -1.3821 | |
| 388 | E | B | -2.1609 | |
| 389 | G | B | 0.0000 | |
| 390 | G | B | 0.0000 | |
| 391 | P | B | -0.5645 | |
| 392 | N | B | -0.6947 | |
| 393 | W | B | 0.0711 | |
| 394 | V | B | -0.4309 | |
| 395 | R | B | -1.9775 | |
| 396 | N | B | -1.7439 | |
| 397 | F | B | -1.3757 | |
| 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 | -0.8772 | |
| 406 | I | B | -0.0510 | |
| 407 | T | B | -0.7847 | |
| 408 | K | B | -2.2525 | |
| 409 | D | B | -2.2440 | |
| 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 | 0.0000 | |
| 428 | P | B | -1.0333 | |
| 429 | E | B | -1.3875 | |
| 430 | G | B | -1.1945 | |
| 431 | S | B | 0.0000 | |
| 432 | Q | B | -1.4575 | |
| 433 | R | B | 0.0000 | |
| 434 | V | B | 0.0000 | |
| 435 | G | B | -0.4800 | |
| 436 | L | B | 0.7044 | |
| 437 | V | B | 1.1951 | |
| 438 | A | B | 0.0235 | |
| 439 | S | B | -0.7933 | |
| 440 | Q | B | -1.9745 | |
| 441 | K | B | -2.8974 | |
| 442 | N | B | -2.4674 | |
| 443 | D | B | -2.7091 | |
| 444 | L | B | -1.3279 | |
| 445 | D | B | -0.7917 | |
| 446 | A | B | -0.1569 | |
| 447 | V | B | 0.0000 | |
| 448 | A | B | 0.0000 | |
| 449 | L | B | 0.0000 | |
| 450 | M | B | 0.0000 | |
| 451 | H | B | -1.2229 | |
| 452 | P | B | -1.3726 | |
| 453 | D | B | -2.2572 | |
| 454 | G | B | -1.4752 | |
| 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 | -1.5204 | |
| 464 | S | B | -1.7565 | |
| 465 | S | B | -1.4655 | |
| 466 | K | B | -2.8850 | |
| 467 | D | B | -2.3158 | |
| 468 | V | B | -1.0591 | |
| 469 | P | B | -0.2818 | |
| 470 | L | B | 0.0000 | |
| 471 | T | B | 0.0000 | |
| 472 | I | B | 0.0000 | |
| 473 | K | B | -0.5282 | |
| 474 | D | B | 0.0000 | |
| 475 | P | B | -0.1041 | |
| 476 | A | B | 0.2266 | |
| 477 | V | B | 0.3772 | |
| 478 | G | B | -0.3445 | |
| 479 | F | B | -0.7595 | |
| 480 | L | B | 0.0000 | |
| 481 | E | B | -1.6299 | |
| 482 | T | B | -0.0323 | |
| 483 | I | B | 0.8977 | |
| 484 | S | B | 0.0000 | |
| 485 | P | B | -0.8996 | |
| 486 | G | B | 0.0000 | |
| 487 | Y | B | -0.5204 | |
| 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 | 0.0000 | |
| 494 | W | B | 0.0000 | |
| 495 | H | B | -0.6829 | |
| 496 | R | B | -1.1876 | |
| 497 | Q | B | -1.6055 |
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 | -0.2494 | 4.9142 | View | CSV | PDB |
| 4.5 | -0.2886 | 4.9147 | View | CSV | PDB |
| 5.0 | -0.3351 | 4.9162 | View | CSV | PDB |
| 5.5 | -0.3805 | 4.9192 | View | CSV | PDB |
| 6.0 | -0.4163 | 4.9234 | View | CSV | PDB |
| 6.5 | -0.4358 | 4.9272 | View | CSV | PDB |
| 7.0 | -0.4393 | 4.9293 | View | CSV | PDB |
| 7.5 | -0.4325 | 4.9302 | View | CSV | PDB |
| 8.0 | -0.42 | 4.9306 | View | CSV | PDB |
| 8.5 | -0.4029 | 4.9307 | View | CSV | PDB |
| 9.0 | -0.3802 | 4.9307 | 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