| Chain sequence(s) |
A: MEPTEKPSTKPSSRTLPRDTRGSLEVFNPSTQLTRPDNPVFRPEPPAWQNLSDPRGTSPQPRPQQEPAPSNPVRSDQEIAVTTSWMALKDPSPETISKKTITAEKPQKSAVAAEQRAAEWGLVLKTDTKTGKPQGVGVRNSGGTENDPNGKKTTSQRNSQNSCRSSGEMSDGDVPGGRSGIPRVSEDLKDALSTFQQTFVVSDATKPDYPIMYASAGFFNMTGYTSKEVVGRNCRFLQGSGTDADELAKIRETLAAGNNYCGRILNYKKDGTSFWNLLTIAPIKDESGKVLKFIGMQVEVSKHTEGAKEKALRPNGLPESLIRYDARQKDMATNSVTELVEAVKRPRALSESTNLHPFMTKSESDELPKKPARRMSENVVPSGRRNSGGGRRNSMQRINEIPEKKSRKSSLSFMGIKKKSESLDESIDDGFIEYGEEDDEISDRDERPESVDDKVRQKEMRKGIDLATTLERIEKNFVITDPRLPDNPIIFASDSFLELTEYSREEILGRNCRFLQGPETDLTTVKKIRNAIDNQTEVTVQLINYTKSGKKFWNIFHLQPMRDQKGEVQYFIGVQLDGSKHVEPVRNVIEETAVKEGEDLVKKTAVNIDEAVRELPDANMTPEDLWANHSKVVHCKPHRKDSPPWIAIQKVLESGEPIGLKHFKPVKPLGSGDTGSVHLVELVGTDQLFAMKAMDKAVMLNRNKVHRARAEREILDLLDHPFLPALYASFQTKTHICLITDYYPGGELFMLLDRQPRKVLKEDAVRFYAAQVVVALEYLHCQGIIYRDLKPENVLIQGNGDISLSDFDLSCLTSCKPQLLIPSIDEKKKKKQQKSQQTPIFMAEPMRASNSFVGTEEYIAPEIISGAGHTSAVDWWALGILMYEMLYGYTPFRGKTRQKTFTNVLQKDLKFPASIPASLQVKQLIFRLLQRDPKKRLGCFEGANEVKQHSFFKGINWALIRCTNPPELETPIFSGEAENGEKVVDPELEDLQTNVF
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:08)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:16:36)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/1934bc9b7a369f6/tmp/folded.pdb (00:16:36)
[INFO] Main: Simulation completed successfully. (00:21:57)
|
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 | 0.1105 | |
| 2 | E | A | -1.6755 | |
| 3 | P | A | -1.6559 | |
| 4 | T | A | -1.9441 | |
| 5 | E | A | -3.0221 | |
| 6 | K | A | -2.8039 | |
| 7 | P | A | -1.8639 | |
| 8 | S | A | -1.4457 | |
| 9 | T | A | -1.3848 | |
| 10 | K | A | -2.0209 | |
| 11 | P | A | -1.5423 | |
| 12 | S | A | -1.3621 | |
| 13 | S | A | -1.3819 | |
| 14 | R | A | -1.8602 | |
| 15 | T | A | -0.8868 | |
| 16 | L | A | -0.1647 | |
| 17 | P | A | -1.3853 | |
| 18 | R | A | -3.0215 | |
| 19 | D | A | -3.4466 | |
| 20 | T | A | -2.3268 | |
| 21 | R | A | -2.7397 | |
| 22 | G | A | -2.2080 | |
| 23 | S | A | -1.1795 | |
| 24 | L | A | 0.4489 | |
| 25 | E | A | -0.4445 | |
| 26 | V | A | 1.9075 | |
| 27 | F | A | 1.7658 | |
| 28 | N | A | -0.4320 | |
| 29 | P | A | -0.3623 | |
| 30 | S | A | -0.5906 | |
| 31 | T | A | -0.5509 | |
| 32 | Q | A | -0.7815 | |
| 33 | L | A | 0.3887 | |
| 34 | T | A | -0.7683 | |
| 35 | R | A | -2.1007 | |
| 36 | P | A | -2.2196 | |
| 37 | D | A | -2.9623 | |
| 38 | N | A | -1.9302 | |
| 39 | P | A | -0.1609 | |
| 40 | V | A | 1.9055 | |
| 41 | F | A | 1.8236 | |
| 42 | R | A | -0.9415 | |
| 43 | P | A | -1.6666 | |
| 44 | E | A | -2.4645 | |
| 45 | P | A | -1.4204 | |
| 46 | P | A | -0.4820 | |
| 47 | A | A | 0.2087 | |
| 48 | W | A | 0.3185 | |
| 49 | Q | A | -0.9350 | |
| 50 | N | A | -1.0996 | |
| 51 | L | A | 0.1504 | |
| 52 | S | A | -0.8528 | |
| 53 | D | A | -2.2818 | |
| 54 | P | A | -2.0974 | |
| 55 | R | A | -2.6429 | |
| 56 | G | A | -1.4947 | |
| 57 | T | A | -0.8939 | |
| 58 | S | A | -0.7135 | |
| 59 | P | A | -1.0043 | |
| 60 | Q | A | -1.8906 | |
| 61 | P | A | -2.0273 | |
| 62 | R | A | -2.8070 | |
| 63 | P | A | -2.1574 | |
| 64 | Q | A | -2.8549 | |
| 65 | Q | A | -2.9943 | |
| 66 | E | A | -2.8289 | |
| 67 | P | A | -1.4931 | |
| 68 | A | A | -0.6697 | |
| 69 | P | A | -0.8577 | |
| 70 | S | A | -0.9924 | |
| 71 | N | A | -1.3880 | |
| 72 | P | A | -0.5775 | |
| 73 | V | A | 0.2732 | |
| 74 | R | A | -1.6744 | |
| 75 | S | A | -2.0165 | |
| 76 | D | A | -3.0913 | |
| 77 | Q | A | -2.4996 | |
| 78 | E | A | -1.6112 | |
| 79 | I | A | 1.2987 | |
| 80 | A | A | 1.3053 | |
| 81 | V | A | 2.0444 | |
| 82 | T | A | 1.0928 | |
| 83 | T | A | 0.7275 | |
| 84 | S | A | 0.8096 | |
| 85 | W | A | 1.8590 | |
| 86 | M | A | 1.8636 | |
| 87 | A | A | 0.8991 | |
| 88 | L | A | 0.7128 | |
| 89 | K | A | -1.7460 | |
| 90 | D | A | -2.4332 | |
| 91 | P | A | -1.7230 | |
| 92 | S | A | -1.5073 | |
| 93 | P | A | -1.2991 | |
| 94 | E | A | -1.6555 | |
| 95 | T | A | -0.2675 | |
| 96 | I | A | 0.8190 | |
| 97 | S | A | -0.6831 | |
| 98 | K | A | -1.8809 | |
| 99 | K | A | -1.8950 | |
| 100 | T | A | -0.3840 | |
| 101 | I | A | 1.0433 | |
| 102 | T | A | 0.0922 | |
| 103 | A | A | -0.8255 | |
| 104 | E | A | -2.5565 | |
| 105 | K | A | -3.1838 | |
| 106 | P | A | -2.6512 | |
| 107 | Q | A | -2.7431 | |
| 108 | K | A | -2.2283 | |
| 109 | S | A | -1.3353 | |
| 110 | A | A | -1.1412 | |
| 111 | V | A | -0.1966 | |
| 112 | A | A | -0.9274 | |
| 113 | A | A | -1.1450 | |
| 114 | E | A | -2.1745 | |
| 115 | Q | A | -2.2848 | |
| 116 | R | A | -2.4503 | |
| 117 | A | A | 0.0000 | |
| 118 | A | A | -1.7682 | |
| 119 | E | A | -2.3597 | |
| 120 | W | A | -0.9576 | |
| 121 | G | A | -1.1786 | |
| 122 | L | A | 0.0000 | |
| 123 | V | A | -0.7327 | |
| 124 | L | A | -1.3265 | |
| 125 | K | A | -2.4152 | |
| 126 | T | A | -2.2009 | |
| 127 | D | A | -2.3500 | |
| 128 | T | A | -1.6362 | |
| 129 | K | A | -2.1641 | |
| 130 | T | A | -1.8109 | |
| 131 | G | A | -1.8695 | |
| 132 | K | A | -2.5773 | |
| 133 | P | A | -2.2183 | |
| 134 | Q | A | -2.3180 | |
| 135 | G | A | -1.2905 | |
| 136 | V | A | -0.3137 | |
| 137 | G | A | 0.1382 | |
| 138 | V | A | 0.5745 | |
| 139 | R | A | -1.7279 | |
| 140 | N | A | -2.1236 | |
| 141 | S | A | -1.5737 | |
| 142 | G | A | -1.8480 | |
| 143 | G | A | -1.9459 | |
| 144 | T | A | -1.9057 | |
| 145 | E | A | -3.1228 | |
| 146 | N | A | -3.3363 | |
| 147 | D | A | -3.4321 | |
| 148 | P | A | -2.5955 | |
| 149 | N | A | -2.9186 | |
| 150 | G | A | -2.7251 | |
| 151 | K | A | -3.1341 | |
| 152 | K | A | -2.8670 | |
| 153 | T | A | -1.7096 | |
| 154 | T | A | -1.3239 | |
| 155 | S | A | -1.7073 | |
| 156 | Q | A | -2.6080 | |
| 157 | R | A | -3.3181 | |
| 158 | N | A | -3.1099 | |
| 159 | S | A | -2.3418 | |
| 160 | Q | A | -2.4266 | |
| 161 | N | A | -2.2560 | |
| 162 | S | A | -1.4811 | |
| 163 | C | A | -0.9555 | |
| 164 | R | A | -1.9566 | |
| 165 | S | A | -1.4063 | |
| 166 | S | A | -1.3968 | |
| 167 | G | A | -1.4507 | |
| 168 | E | A | -1.9427 | |
| 169 | M | A | -0.7757 | |
| 170 | S | A | -1.5801 | |
| 171 | D | A | -2.2122 | |
| 172 | G | A | -1.7185 | |
| 173 | D | A | -1.7676 | |
| 174 | V | A | 0.1198 | |
| 175 | P | A | -0.4382 | |
| 176 | G | A | -0.9381 | |
| 177 | G | A | -1.5250 | |
| 178 | R | A | -2.1624 | |
| 179 | S | A | -0.9677 | |
| 180 | G | A | -0.4027 | |
| 181 | I | A | 0.9446 | |
| 182 | P | A | -0.2578 | |
| 183 | R | A | -1.6120 | |
| 184 | V | A | -1.2398 | |
| 185 | S | A | -2.1675 | |
| 186 | E | A | -3.3736 | |
| 187 | D | A | -3.3406 | |
| 188 | L | A | -2.6231 | |
| 189 | K | A | -2.5107 | |
| 190 | D | A | -3.0565 | |
| 191 | A | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | S | A | -1.3679 | |
| 194 | T | A | -1.0407 | |
| 195 | F | A | -0.8601 | |
| 196 | Q | A | -1.6656 | |
| 197 | Q | A | -0.7967 | |
| 198 | T | A | -0.5519 | |
| 199 | F | A | 0.0000 | |
| 200 | V | A | 0.0000 | |
| 201 | V | A | 0.0000 | |
| 202 | S | A | -0.5424 | |
| 203 | D | A | 0.0000 | |
| 204 | A | A | -0.9092 | |
| 205 | T | A | -1.0042 | |
| 206 | K | A | -1.7534 | |
| 207 | P | A | -1.6608 | |
| 208 | D | A | -2.6429 | |
| 209 | Y | A | -1.4151 | |
| 210 | P | A | -1.4504 | |
| 211 | I | A | 0.0000 | |
| 212 | M | A | -0.0987 | |
| 213 | Y | A | 0.0034 | |
| 214 | A | A | 0.0000 | |
| 215 | S | A | 0.0000 | |
| 216 | A | A | -0.4126 | |
| 217 | G | A | -0.6934 | |
| 218 | F | A | 0.0000 | |
| 219 | F | A | -0.2990 | |
| 220 | N | A | -1.1293 | |
| 221 | M | A | -0.8051 | |
| 222 | T | A | 0.0000 | |
| 223 | G | A | -1.4534 | |
| 224 | Y | A | -1.2437 | |
| 225 | T | A | -1.0523 | |
| 226 | S | A | -0.9760 | |
| 227 | K | A | -2.2359 | |
| 228 | E | A | -1.8777 | |
| 229 | V | A | 0.0000 | |
| 230 | V | A | -0.7003 | |
| 231 | G | A | -1.2397 | |
| 232 | R | A | -2.5571 | |
| 233 | N | A | -1.9818 | |
| 234 | C | A | -1.3972 | |
| 235 | R | A | -2.3366 | |
| 236 | F | A | -1.2343 | |
| 237 | L | A | 0.0000 | |
| 238 | Q | A | -1.3253 | |
| 239 | G | A | -1.1155 | |
| 240 | S | A | -0.8033 | |
| 241 | G | A | -1.0205 | |
| 242 | T | A | -1.4643 | |
| 243 | D | A | -2.6861 | |
| 244 | A | A | -2.0666 | |
| 245 | D | A | -3.1070 | |
| 246 | E | A | -2.9714 | |
| 247 | L | A | -2.5821 | |
| 248 | A | A | -2.7407 | |
| 249 | K | A | -3.2201 | |
| 250 | I | A | 0.0000 | |
| 251 | R | A | -3.3168 | |
| 252 | E | A | -3.3211 | |
| 253 | T | A | 0.0000 | |
| 254 | L | A | -1.7595 | |
| 255 | A | A | -1.3186 | |
| 256 | A | A | -1.1274 | |
| 257 | G | A | 0.0000 | |
| 258 | N | A | -2.0289 | |
| 259 | N | A | -1.8251 | |
| 260 | Y | A | 0.0000 | |
| 261 | C | A | -0.4491 | |
| 262 | G | A | -0.5350 | |
| 263 | R | A | -0.6624 | |
| 264 | I | A | 0.0000 | |
| 265 | L | A | -0.3936 | |
| 266 | N | A | 0.0000 | |
| 267 | Y | A | -0.9128 | |
| 268 | K | A | -1.8607 | |
| 269 | K | A | -2.7801 | |
| 270 | D | A | -2.9282 | |
| 271 | G | A | -1.9831 | |
| 272 | T | A | -1.2207 | |
| 273 | S | A | -0.6663 | |
| 274 | F | A | 0.0000 | |
| 275 | W | A | 0.1025 | |
| 276 | N | A | 0.0000 | |
| 277 | L | A | 0.0000 | |
| 278 | L | A | 0.0185 | |
| 279 | T | A | 0.0000 | |
| 280 | I | A | 0.0000 | |
| 281 | A | A | 0.0000 | |
| 282 | P | A | -1.1666 | |
| 283 | I | A | 0.0000 | |
| 284 | K | A | -2.4460 | |
| 285 | D | A | -2.7090 | |
| 286 | E | A | -2.8489 | |
| 287 | S | A | -2.1489 | |
| 288 | G | A | -2.3320 | |
| 289 | K | A | -2.6719 | |
| 290 | V | A | -1.5322 | |
| 291 | L | A | -0.8094 | |
| 292 | K | A | -0.7929 | |
| 293 | F | A | 0.0000 | |
| 294 | I | A | 0.0000 | |
| 295 | G | A | 0.0000 | |
| 296 | M | A | 0.0000 | |
| 297 | Q | A | 0.0000 | |
| 298 | V | A | -0.1388 | |
| 299 | E | A | -0.9656 | |
| 300 | V | A | 0.0000 | |
| 301 | S | A | -0.7366 | |
| 302 | K | A | -1.5192 | |
| 303 | H | A | -1.3556 | |
| 304 | T | A | 0.0000 | |
| 305 | E | A | 0.0000 | |
| 306 | G | A | -1.4558 | |
| 307 | A | A | -1.4443 | |
| 308 | K | A | -2.1630 | |
| 309 | E | A | -2.9557 | |
| 310 | K | A | -2.4313 | |
| 311 | A | A | -1.0449 | |
| 312 | L | A | 0.4122 | |
| 313 | R | A | 0.0000 | |
| 314 | P | A | -0.2242 | |
| 315 | N | A | -0.4489 | |
| 316 | G | A | -0.1228 | |
| 317 | L | A | 0.0000 | |
| 318 | P | A | -0.6297 | |
| 319 | E | A | -0.6732 | |
| 320 | S | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | I | A | 0.0000 | |
| 323 | R | A | -1.2087 | |
| 324 | Y | A | 0.0000 | |
| 325 | D | A | -1.2768 | |
| 326 | A | A | -1.2568 | |
| 327 | R | A | -1.0091 | |
| 328 | Q | A | -0.7963 | |
| 329 | K | A | -1.1262 | |
| 330 | D | A | -0.8831 | |
| 331 | M | A | -0.2886 | |
| 332 | A | A | 0.0000 | |
| 333 | T | A | -0.7290 | |
| 334 | N | A | -0.6790 | |
| 335 | S | A | -0.4832 | |
| 336 | V | A | 0.0000 | |
| 337 | T | A | -0.8748 | |
| 338 | E | A | -1.2937 | |
| 339 | L | A | 0.0000 | |
| 340 | V | A | -1.6373 | |
| 341 | E | A | -2.7484 | |
| 342 | A | A | 0.0000 | |
| 343 | V | A | 0.0000 | |
| 344 | K | A | -3.0035 | |
| 345 | R | A | -3.3390 | |
| 346 | P | A | -3.3224 | |
| 347 | R | A | -3.2574 | |
| 348 | A | A | -2.6008 | |
| 349 | L | A | -2.3915 | |
| 350 | S | A | -2.8081 | |
| 351 | E | A | -2.8279 | |
| 352 | S | A | -1.8936 | |
| 353 | T | A | -1.0638 | |
| 354 | N | A | -1.2605 | |
| 355 | L | A | 0.3216 | |
| 356 | H | A | -0.0445 | |
| 357 | P | A | 0.8224 | |
| 358 | F | A | 2.0636 | |
| 359 | M | A | 1.2144 | |
| 360 | T | A | -0.1435 | |
| 361 | K | A | -1.7863 | |
| 362 | S | A | -1.8506 | |
| 363 | E | A | -3.1445 | |
| 364 | S | A | -2.6342 | |
| 365 | D | A | -2.9562 | |
| 366 | E | A | -2.4690 | |
| 367 | L | A | -0.2314 | |
| 368 | P | A | -1.2975 | |
| 369 | K | A | -2.6298 | |
| 370 | K | A | -2.7238 | |
| 371 | P | A | -2.0577 | |
| 372 | A | A | -1.7087 | |
| 373 | R | A | -2.5275 | |
| 374 | R | A | -2.4860 | |
| 375 | M | A | -1.0115 | |
| 376 | S | A | -1.3719 | |
| 377 | E | A | -1.8071 | |
| 378 | N | A | -0.8076 | |
| 379 | V | A | 1.4146 | |
| 380 | V | A | 1.8726 | |
| 381 | P | A | 0.4906 | |
| 382 | S | A | -0.3484 | |
| 383 | G | A | -1.8720 | |
| 384 | R | A | -3.3590 | |
| 385 | R | A | -3.6252 | |
| 386 | N | A | -2.9556 | |
| 387 | S | A | -1.9803 | |
| 388 | G | A | -1.7358 | |
| 389 | G | A | -1.8147 | |
| 390 | G | A | -2.4503 | |
| 391 | R | A | -3.5360 | |
| 392 | R | A | -3.4849 | |
| 393 | N | A | -2.8198 | |
| 394 | S | A | -1.5552 | |
| 395 | M | A | -0.4022 | |
| 396 | Q | A | -1.3946 | |
| 397 | R | A | -1.7004 | |
| 398 | I | A | 0.2451 | |
| 399 | N | A | -1.3480 | |
| 400 | E | A | -1.3531 | |
| 401 | I | A | 0.3043 | |
| 402 | P | A | -1.4816 | |
| 403 | E | A | -3.0645 | |
| 404 | K | A | -3.5378 | |
| 405 | K | A | -3.7758 | |
| 406 | S | A | -3.0755 | |
| 407 | R | A | -3.4850 | |
| 408 | K | A | -2.8247 | |
| 409 | S | A | -1.2688 | |
| 410 | S | A | -0.2187 | |
| 411 | L | A | 1.5809 | |
| 412 | S | A | 1.6756 | |
| 413 | F | A | 2.6090 | |
| 414 | M | A | 2.1474 | |
| 415 | G | A | 1.1996 | |
| 416 | I | A | 0.8483 | |
| 417 | K | A | -2.0418 | |
| 418 | K | A | -3.0123 | |
| 419 | K | A | -3.3733 | |
| 420 | S | A | -2.1973 | |
| 421 | E | A | -2.1986 | |
| 422 | S | A | -1.0285 | |
| 423 | L | A | -0.4104 | |
| 424 | D | A | -1.9593 | |
| 425 | E | A | -2.0772 | |
| 426 | S | A | -1.1578 | |
| 427 | I | A | -0.2462 | |
| 428 | D | A | -1.8776 | |
| 429 | D | A | -1.6236 | |
| 430 | G | A | -0.2782 | |
| 431 | F | A | 1.6247 | |
| 432 | I | A | 1.9990 | |
| 433 | E | A | -0.0988 | |
| 434 | Y | A | 0.2365 | |
| 435 | G | A | -1.7408 | |
| 436 | E | A | -3.6112 | |
| 437 | E | A | -4.2816 | |
| 438 | D | A | -4.3754 | |
| 439 | D | A | -3.9307 | |
| 440 | E | A | -2.8206 | |
| 441 | I | A | -0.4157 | |
| 442 | S | A | -1.7187 | |
| 443 | D | A | -3.7045 | |
| 444 | R | A | -4.0501 | |
| 445 | D | A | -4.4302 | |
| 446 | E | A | -4.4156 | |
| 447 | R | A | -3.4438 | |
| 448 | P | A | -2.4884 | |
| 449 | E | A | -2.7209 | |
| 450 | S | A | -1.7113 | |
| 451 | V | A | -0.7758 | |
| 452 | D | A | -2.3973 | |
| 453 | D | A | -3.0781 | |
| 454 | K | A | -2.8353 | |
| 455 | V | A | -1.1097 | |
| 456 | R | A | 0.0000 | |
| 457 | Q | A | -2.2439 | |
| 458 | K | A | -2.3504 | |
| 459 | E | A | -1.8674 | |
| 460 | M | A | -0.9577 | |
| 461 | R | A | -1.3631 | |
| 462 | K | A | -2.0802 | |
| 463 | G | A | -1.2748 | |
| 464 | I | A | 0.0000 | |
| 465 | D | A | -0.4979 | |
| 466 | L | A | -0.0107 | |
| 467 | A | A | -0.1663 | |
| 468 | T | A | -0.3641 | |
| 469 | T | A | 0.0000 | |
| 470 | L | A | 0.0000 | |
| 471 | E | A | -1.1965 | |
| 472 | R | A | -1.2087 | |
| 473 | I | A | -1.5480 | |
| 474 | E | A | -2.6083 | |
| 475 | K | A | -1.7808 | |
| 476 | N | A | -1.2484 | |
| 477 | F | A | 0.0000 | |
| 478 | V | A | 0.0000 | |
| 479 | I | A | 0.0000 | |
| 480 | T | A | 0.0000 | |
| 481 | D | A | 0.0000 | |
| 482 | P | A | -1.0259 | |
| 483 | R | A | -1.0936 | |
| 484 | L | A | -0.9473 | |
| 485 | P | A | -1.4344 | |
| 486 | D | A | -2.3537 | |
| 487 | N | A | -1.4935 | |
| 488 | P | A | 0.0000 | |
| 489 | I | A | 0.0000 | |
| 490 | I | A | 0.0000 | |
| 491 | F | A | 0.0000 | |
| 492 | A | A | 0.0000 | |
| 493 | S | A | 0.0000 | |
| 494 | D | A | -2.2960 | |
| 495 | S | A | -2.0069 | |
| 496 | F | A | 0.0000 | |
| 497 | L | A | 0.0000 | |
| 498 | E | A | -2.2741 | |
| 499 | L | A | -1.1917 | |
| 500 | T | A | 0.0000 | |
| 501 | E | A | -1.7658 | |
| 502 | Y | A | -1.2325 | |
| 503 | S | A | -1.3455 | |
| 504 | R | A | 0.0000 | |
| 505 | E | A | -1.6003 | |
| 506 | E | A | -1.1829 | |
| 507 | I | A | 0.0000 | |
| 508 | L | A | 0.0000 | |
| 509 | G | A | -1.3714 | |
| 510 | R | A | -1.9945 | |
| 511 | N | A | -1.7748 | |
| 512 | C | A | -1.3796 | |
| 513 | R | A | -2.1159 | |
| 514 | F | A | -1.2354 | |
| 515 | L | A | 0.0000 | |
| 516 | Q | A | -1.6960 | |
| 517 | G | A | -1.4867 | |
| 518 | P | A | -1.2990 | |
| 519 | E | A | -2.2840 | |
| 520 | T | A | 0.0000 | |
| 521 | D | A | -1.2949 | |
| 522 | L | A | -0.2684 | |
| 523 | T | A | -0.7911 | |
| 524 | T | A | -1.2137 | |
| 525 | V | A | -1.7043 | |
| 526 | K | A | -2.7717 | |
| 527 | K | A | -2.9100 | |
| 528 | I | A | -2.4511 | |
| 529 | R | A | -3.7969 | |
| 530 | N | A | -3.8449 | |
| 531 | A | A | 0.0000 | |
| 532 | I | A | -2.5353 | |
| 533 | D | A | -3.3422 | |
| 534 | N | A | -3.0435 | |
| 535 | Q | A | -2.5799 | |
| 536 | T | A | -1.9282 | |
| 537 | E | A | -2.1448 | |
| 538 | V | A | 0.0000 | |
| 539 | T | A | -0.7233 | |
| 540 | V | A | -0.1944 | |
| 541 | Q | A | -0.1879 | |
| 542 | L | A | 0.0000 | |
| 543 | I | A | -0.8622 | |
| 544 | N | A | 0.0000 | |
| 545 | Y | A | -1.7943 | |
| 546 | T | A | 0.0000 | |
| 547 | K | A | -2.2681 | |
| 548 | S | A | -1.9051 | |
| 549 | G | A | -2.2106 | |
| 550 | K | A | -2.8867 | |
| 551 | K | A | -2.5300 | |
| 552 | F | A | 0.0000 | |
| 553 | W | A | -0.3270 | |
| 554 | N | A | 0.0000 | |
| 555 | I | A | 0.0000 | |
| 556 | F | A | 0.0466 | |
| 557 | H | A | 0.0000 | |
| 558 | L | A | 0.0000 | |
| 559 | Q | A | -0.9503 | |
| 560 | P | A | 0.0000 | |
| 561 | M | A | 0.0000 | |
| 562 | R | A | -2.4703 | |
| 563 | D | A | -2.7108 | |
| 564 | Q | A | -2.9034 | |
| 565 | K | A | -3.1782 | |
| 566 | G | A | -2.6842 | |
| 567 | E | A | -3.0705 | |
| 568 | V | A | 0.0000 | |
| 569 | Q | A | -1.7363 | |
| 570 | Y | A | 0.0000 | |
| 571 | F | A | 0.0000 | |
| 572 | I | A | 0.0000 | |
| 573 | G | A | 0.0000 | |
| 574 | V | A | 0.0000 | |
| 575 | Q | A | 0.0000 | |
| 576 | L | A | 0.0305 | |
| 577 | D | A | -0.5419 | |
| 578 | G | A | 0.0000 | |
| 579 | S | A | -1.3291 | |
| 580 | K | A | -2.3294 | |
| 581 | H | A | -2.5129 | |
| 582 | V | A | -1.5910 | |
| 583 | E | A | -1.9571 | |
| 584 | P | A | -0.6112 | |
| 585 | V | A | 0.3576 | |
| 586 | R | A | -1.5891 | |
| 587 | N | A | -1.4671 | |
| 588 | V | A | -0.3754 | |
| 589 | I | A | 0.0000 | |
| 590 | E | A | -3.2331 | |
| 591 | E | A | -3.1750 | |
| 592 | T | A | -2.6316 | |
| 593 | A | A | -2.8463 | |
| 594 | V | A | -2.6035 | |
| 595 | K | A | -3.7618 | |
| 596 | E | A | -3.4677 | |
| 597 | G | A | 0.0000 | |
| 598 | E | A | -2.6828 | |
| 599 | D | A | -3.5326 | |
| 600 | L | A | -2.2181 | |
| 601 | V | A | 0.0000 | |
| 602 | K | A | -2.1041 | |
| 603 | K | A | -2.1350 | |
| 604 | T | A | 0.0000 | |
| 605 | A | A | 0.0000 | |
| 606 | V | A | 0.2379 | |
| 607 | N | A | -0.9098 | |
| 608 | I | A | 0.0000 | |
| 609 | D | A | -1.1316 | |
| 610 | E | A | -1.7287 | |
| 611 | A | A | 0.0000 | |
| 612 | V | A | 0.0000 | |
| 613 | R | A | -2.8843 | |
| 614 | E | A | -2.0686 | |
| 615 | L | A | -1.1709 | |
| 616 | P | A | -0.9042 | |
| 617 | D | A | -0.9464 | |
| 618 | A | A | 0.0000 | |
| 619 | N | A | -0.8535 | |
| 620 | M | A | -0.8461 | |
| 621 | T | A | -1.2855 | |
| 622 | P | A | -1.4247 | |
| 623 | E | A | -2.3892 | |
| 624 | D | A | -2.0449 | |
| 625 | L | A | 0.0000 | |
| 626 | W | A | 0.0000 | |
| 627 | A | A | -1.5254 | |
| 628 | N | A | -1.5293 | |
| 629 | H | A | 0.0000 | |
| 630 | S | A | -0.8000 | |
| 631 | K | A | -1.2265 | |
| 632 | V | A | 0.6219 | |
| 633 | V | A | 0.0000 | |
| 634 | H | A | -0.9659 | |
| 635 | C | A | -1.2154 | |
| 636 | K | A | -1.4374 | |
| 637 | P | A | -1.6586 | |
| 638 | H | A | -1.5862 | |
| 639 | R | A | -1.9517 | |
| 640 | K | A | -2.9602 | |
| 641 | D | A | -2.6989 | |
| 642 | S | A | -1.5015 | |
| 643 | P | A | -0.9952 | |
| 644 | P | A | -0.6465 | |
| 645 | W | A | 0.0000 | |
| 646 | I | A | -0.6448 | |
| 647 | A | A | 0.0000 | |
| 648 | I | A | 0.0000 | |
| 649 | Q | A | -1.7541 | |
| 650 | K | A | -2.3991 | |
| 651 | V | A | -1.3376 | |
| 652 | L | A | -1.2711 | |
| 653 | E | A | -2.7702 | |
| 654 | S | A | -1.9179 | |
| 655 | G | A | -1.6773 | |
| 656 | E | A | -1.6329 | |
| 657 | P | A | -0.5764 | |
| 658 | I | A | -0.2063 | |
| 659 | G | A | -0.6403 | |
| 660 | L | A | -0.7208 | |
| 661 | K | A | -1.5819 | |
| 662 | H | A | 0.0000 | |
| 663 | F | A | 0.0000 | |
| 664 | K | A | -2.0749 | |
| 665 | P | A | 0.0000 | |
| 666 | V | A | -0.8962 | |
| 667 | K | A | -1.9893 | |
| 668 | P | A | -1.1789 | |
| 669 | L | A | 0.0192 | |
| 670 | G | A | -0.3543 | |
| 671 | S | A | -0.7685 | |
| 672 | G | A | -1.2067 | |
| 673 | D | A | -1.2866 | |
| 674 | T | A | -0.5883 | |
| 675 | G | A | -0.5213 | |
| 676 | S | A | -0.4376 | |
| 677 | V | A | -0.0004 | |
| 678 | H | A | 0.0000 | |
| 679 | L | A | 0.0000 | |
| 680 | V | A | 0.0000 | |
| 681 | E | A | -1.5370 | |
| 682 | L | A | 0.0000 | |
| 683 | V | A | -0.3226 | |
| 684 | G | A | -0.6084 | |
| 685 | T | A | -0.9229 | |
| 686 | D | A | -1.9086 | |
| 687 | Q | A | -0.9135 | |
| 688 | L | A | -0.3158 | |
| 689 | F | A | 0.0000 | |
| 690 | A | A | 0.0000 | |
| 691 | M | A | 0.0000 | |
| 692 | K | A | -0.1463 | |
| 693 | A | A | 0.0000 | |
| 694 | M | A | 0.0000 | |
| 695 | D | A | -0.7261 | |
| 696 | K | A | -0.6381 | |
| 697 | A | A | -0.1619 | |
| 698 | V | A | -0.0976 | |
| 699 | M | A | 0.0000 | |
| 700 | L | A | -0.4645 | |
| 701 | N | A | -1.1572 | |
| 702 | R | A | -1.1972 | |
| 703 | N | A | -0.7032 | |
| 704 | K | A | 0.0000 | |
| 705 | V | A | 0.0000 | |
| 706 | H | A | -0.7216 | |
| 707 | R | A | 0.0000 | |
| 708 | A | A | 0.0000 | |
| 709 | R | A | -0.9368 | |
| 710 | A | A | -0.9481 | |
| 711 | E | A | 0.0000 | |
| 712 | R | A | 0.0000 | |
| 713 | E | A | -1.6595 | |
| 714 | I | A | 0.0000 | |
| 715 | L | A | 0.0000 | |
| 716 | D | A | -0.7258 | |
| 717 | L | A | 0.1332 | |
| 718 | L | A | 0.0000 | |
| 719 | D | A | -0.6573 | |
| 720 | H | A | 0.0000 | |
| 721 | P | A | -0.5394 | |
| 722 | F | A | 0.0000 | |
| 723 | L | A | 0.0000 | |
| 724 | P | A | 0.0000 | |
| 725 | A | A | 0.0000 | |
| 726 | L | A | 0.0000 | |
| 727 | Y | A | 0.0000 | |
| 728 | A | A | 0.0000 | |
| 729 | S | A | 0.0000 | |
| 730 | F | A | 0.0000 | |
| 731 | Q | A | -0.7781 | |
| 732 | T | A | -0.9077 | |
| 733 | K | A | -1.8366 | |
| 734 | T | A | -1.1560 | |
| 735 | H | A | 0.0000 | |
| 736 | I | A | 0.0000 | |
| 737 | C | A | 0.0000 | |
| 738 | L | A | 0.0000 | |
| 739 | I | A | 0.0000 | |
| 740 | T | A | 0.0986 | |
| 741 | D | A | 0.0000 | |
| 742 | Y | A | 0.3802 | |
| 743 | Y | A | 0.0000 | |
| 744 | P | A | -0.2304 | |
| 745 | G | A | -0.1652 | |
| 746 | G | A | 0.0012 | |
| 747 | E | A | -0.2706 | |
| 748 | L | A | 0.0000 | |
| 749 | F | A | 0.0000 | |
| 750 | M | A | -0.2974 | |
| 751 | L | A | 0.0000 | |
| 752 | L | A | 0.0000 | |
| 753 | D | A | 0.0000 | |
| 754 | R | A | -1.3105 | |
| 755 | Q | A | 0.0000 | |
| 756 | P | A | -1.4822 | |
| 757 | R | A | -1.9461 | |
| 758 | K | A | -1.1336 | |
| 759 | V | A | -0.9579 | |
| 760 | L | A | 0.0000 | |
| 761 | K | A | -2.5538 | |
| 762 | E | A | -1.9850 | |
| 763 | D | A | -2.7591 | |
| 764 | A | A | 0.0000 | |
| 765 | V | A | 0.0000 | |
| 766 | R | A | -1.4843 | |
| 767 | F | A | 0.0000 | |
| 768 | Y | A | 0.0000 | |
| 769 | A | A | 0.0000 | |
| 770 | A | A | 0.0000 | |
| 771 | Q | A | 0.0000 | |
| 772 | V | A | 0.0000 | |
| 773 | V | A | 0.0000 | |
| 774 | V | A | 0.1022 | |
| 775 | A | A | 0.0000 | |
| 776 | L | A | 0.0000 | |
| 777 | E | A | -0.2466 | |
| 778 | Y | A | -0.1294 | |
| 779 | L | A | 0.0000 | |
| 780 | H | A | 0.0000 | |
| 781 | C | A | -0.5606 | |
| 782 | Q | A | -0.4878 | |
| 783 | G | A | 0.0000 | |
| 784 | I | A | 0.0000 | |
| 785 | I | A | 0.0000 | |
| 786 | Y | A | 0.0000 | |
| 787 | R | A | -0.2317 | |
| 788 | D | A | 0.0000 | |
| 789 | L | A | 0.0000 | |
| 790 | K | A | 0.0000 | |
| 791 | P | A | 0.0000 | |
| 792 | E | A | 0.0000 | |
| 793 | N | A | 0.0000 | |
| 794 | V | A | 0.0000 | |
| 795 | L | A | -0.0271 | |
| 796 | I | A | 0.0000 | |
| 797 | Q | A | -0.8015 | |
| 798 | G | A | -0.9781 | |
| 799 | N | A | -1.9371 | |
| 800 | G | A | 0.0000 | |
| 801 | D | A | 0.0000 | |
| 802 | I | A | 0.0000 | |
| 803 | S | A | 0.0000 | |
| 804 | L | A | 0.0000 | |
| 805 | S | A | -0.3215 | |
| 806 | D | A | -0.7185 | |
| 807 | F | A | 0.0000 | |
| 808 | D | A | -0.7722 | |
| 809 | L | A | 0.0000 | |
| 810 | S | A | 0.0000 | |
| 811 | C | A | -0.2015 | |
| 812 | L | A | 0.0160 | |
| 813 | T | A | -0.0189 | |
| 814 | S | A | -0.6036 | |
| 815 | C | A | -1.0357 | |
| 816 | K | A | -2.0051 | |
| 817 | P | A | -1.1142 | |
| 818 | Q | A | -0.4105 | |
| 819 | L | A | 1.8872 | |
| 820 | L | A | 1.8871 | |
| 821 | I | A | 2.4788 | |
| 822 | P | A | 1.1671 | |
| 823 | S | A | 0.5595 | |
| 824 | I | A | -0.0689 | |
| 825 | D | A | -2.5957 | |
| 826 | E | A | -3.8440 | |
| 827 | K | A | -4.3445 | |
| 828 | K | A | -4.8433 | |
| 829 | K | A | -4.5855 | |
| 830 | K | A | -4.6825 | |
| 831 | K | A | -4.5642 | |
| 832 | Q | A | -4.5111 | |
| 833 | Q | A | -4.0356 | |
| 834 | K | A | -3.4347 | |
| 835 | S | A | -2.5739 | |
| 836 | Q | A | -2.7282 | |
| 837 | Q | A | -1.6959 | |
| 838 | T | A | -0.5239 | |
| 839 | P | A | 0.7767 | |
| 840 | I | A | 1.1176 | |
| 841 | F | A | 1.2171 | |
| 842 | M | A | 0.2262 | |
| 843 | A | A | 0.0000 | |
| 844 | E | A | -0.4690 | |
| 845 | P | A | 0.0000 | |
| 846 | M | A | 0.1252 | |
| 847 | R | A | -0.6649 | |
| 848 | A | A | -0.3290 | |
| 849 | S | A | 0.0000 | |
| 850 | N | A | -0.6921 | |
| 851 | S | A | 0.0000 | |
| 852 | F | A | 0.0000 | |
| 853 | V | A | 0.0000 | |
| 854 | G | A | 0.0000 | |
| 855 | T | A | 0.0000 | |
| 856 | E | A | -0.9365 | |
| 857 | E | A | 0.0000 | |
| 858 | Y | A | 0.0000 | |
| 859 | I | A | 0.0000 | |
| 860 | A | A | 0.0000 | |
| 861 | P | A | 0.0000 | |
| 862 | E | A | 0.0000 | |
| 863 | I | A | 0.0000 | |
| 864 | I | A | 0.0963 | |
| 865 | S | A | -0.1882 | |
| 866 | G | A | -0.4226 | |
| 867 | A | A | -0.1268 | |
| 868 | G | A | -0.3336 | |
| 869 | H | A | 0.0000 | |
| 870 | T | A | -0.1426 | |
| 871 | S | A | 0.0000 | |
| 872 | A | A | 0.0000 | |
| 873 | V | A | 0.0000 | |
| 874 | D | A | 0.0000 | |
| 875 | W | A | 0.0000 | |
| 876 | W | A | 0.0000 | |
| 877 | A | A | 0.0000 | |
| 878 | L | A | 0.0000 | |
| 879 | G | A | 0.0000 | |
| 880 | I | A | 0.0000 | |
| 881 | L | A | 0.0000 | |
| 882 | M | A | 0.0000 | |
| 883 | Y | A | 0.0000 | |
| 884 | E | A | 0.0000 | |
| 885 | M | A | 0.0000 | |
| 886 | L | A | 0.0000 | |
| 887 | Y | A | 0.0000 | |
| 888 | G | A | -0.0271 | |
| 889 | Y | A | 0.2780 | |
| 890 | T | A | 0.0000 | |
| 891 | P | A | 0.0000 | |
| 892 | F | A | 0.0000 | |
| 893 | R | A | -1.6364 | |
| 894 | G | A | -1.7964 | |
| 895 | K | A | -2.0700 | |
| 896 | T | A | -1.5475 | |
| 897 | R | A | -1.3642 | |
| 898 | Q | A | -0.9324 | |
| 899 | K | A | -1.6022 | |
| 900 | T | A | 0.0000 | |
| 901 | F | A | 0.0000 | |
| 902 | T | A | 0.0000 | |
| 903 | N | A | 0.0000 | |
| 904 | V | A | 0.0000 | |
| 905 | L | A | -0.3784 | |
| 906 | Q | A | -1.2254 | |
| 907 | K | A | -2.2645 | |
| 908 | D | A | -2.6310 | |
| 909 | L | A | -1.3564 | |
| 910 | K | A | -1.8343 | |
| 911 | F | A | -0.3393 | |
| 912 | P | A | -1.1914 | |
| 913 | A | A | -0.5947 | |
| 914 | S | A | -0.5766 | |
| 915 | I | A | 0.0000 | |
| 916 | P | A | -0.2942 | |
| 917 | A | A | -0.2096 | |
| 918 | S | A | 0.1154 | |
| 919 | L | A | 0.7467 | |
| 920 | Q | A | -0.4389 | |
| 921 | V | A | 0.0000 | |
| 922 | K | A | -0.2649 | |
| 923 | Q | A | -0.5100 | |
| 924 | L | A | 0.0000 | |
| 925 | I | A | 0.0000 | |
| 926 | F | A | 0.7977 | |
| 927 | R | A | -0.6040 | |
| 928 | L | A | 0.0000 | |
| 929 | L | A | 0.0000 | |
| 930 | Q | A | -1.1203 | |
| 931 | R | A | -1.2986 | |
| 932 | D | A | -1.8240 | |
| 933 | P | A | -1.7678 | |
| 934 | K | A | -2.4019 | |
| 935 | K | A | -2.6279 | |
| 936 | R | A | 0.0000 | |
| 937 | L | A | 0.0000 | |
| 938 | G | A | 0.0000 | |
| 939 | C | A | -0.0327 | |
| 940 | F | A | 1.1348 | |
| 941 | E | A | 0.4269 | |
| 942 | G | A | 0.0000 | |
| 943 | A | A | 0.0000 | |
| 944 | N | A | -0.5616 | |
| 945 | E | A | -0.6693 | |
| 946 | V | A | 0.0000 | |
| 947 | K | A | -1.2279 | |
| 948 | Q | A | -1.8250 | |
| 949 | H | A | -1.5526 | |
| 950 | S | A | -1.2337 | |
| 951 | F | A | 0.0000 | |
| 952 | F | A | 0.0000 | |
| 953 | K | A | -2.4052 | |
| 954 | G | A | -1.4105 | |
| 955 | I | A | -0.8920 | |
| 956 | N | A | -0.9405 | |
| 957 | W | A | -0.0164 | |
| 958 | A | A | 0.3760 | |
| 959 | L | A | 0.9317 | |
| 960 | I | A | 0.0000 | |
| 961 | R | A | -1.4764 | |
| 962 | C | A | -0.1260 | |
| 963 | T | A | -0.6970 | |
| 964 | N | A | -1.8612 | |
| 965 | P | A | -1.6002 | |
| 966 | P | A | -2.0962 | |
| 967 | E | A | -2.7685 | |
| 968 | L | A | -2.0115 | |
| 969 | E | A | -2.6022 | |
| 970 | T | A | -1.1242 | |
| 971 | P | A | -0.5288 | |
| 972 | I | A | 0.0873 | |
| 973 | F | A | 0.9435 | |
| 974 | S | A | -0.4565 | |
| 975 | G | A | -1.2133 | |
| 976 | E | A | -2.6017 | |
| 977 | A | A | -2.1615 | |
| 978 | E | A | -3.4567 | |
| 979 | N | A | -3.4191 | |
| 980 | G | A | -2.7195 | |
| 981 | E | A | -2.6867 | |
| 982 | K | A | -1.6786 | |
| 983 | V | A | 0.7802 | |
| 984 | V | A | 0.7175 | |
| 985 | D | A | -1.5381 | |
| 986 | P | A | -1.9578 | |
| 987 | E | A | -3.2846 | |
| 988 | L | A | -2.8570 | |
| 989 | E | A | -3.5435 | |
| 990 | D | A | -3.8858 | |
| 991 | L | A | 0.0000 | |
| 992 | Q | A | -2.7625 | |
| 993 | T | A | -2.1820 | |
| 994 | N | A | -2.0979 | |
| 995 | V | A | -1.0749 | |
| 996 | F | A | -0.6973 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.8269 | 5.551 | View | CSV | PDB |
| 4.5 | -0.9131 | 5.3241 | View | CSV | PDB |
| 5.0 | -1.019 | 5.0471 | View | CSV | PDB |
| 5.5 | -1.1237 | 4.8725 | View | CSV | PDB |
| 6.0 | -1.2048 | 4.9315 | View | CSV | PDB |
| 6.5 | -1.2457 | 5.0249 | View | CSV | PDB |
| 7.0 | -1.2457 | 5.1292 | View | CSV | PDB |
| 7.5 | -1.2173 | 5.2207 | View | CSV | PDB |
| 8.0 | -1.1731 | 5.2975 | View | CSV | PDB |
| 8.5 | -1.1181 | 5.3668 | View | CSV | PDB |
| 9.0 | -1.0526 | 5.4331 | 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