| Chain sequence(s) |
A: MDQLASLAESVAMEEDSEKQSIKGESSLEPDSTPSSPKITARWNPSEACRPLVDDAPIFYPTNEDFDDPLGYIEKLRSKAESYGICRIVPPVAWRPPCPLKEKKIWENSKFPTRIQFIDLLQNREPIKKSTKTKKRKRRRISKIGYTRRKRDSGCDTASSGSSDSEGKFGFQTGPDFTLEEFQKYDEYFKECYFQSEDHPGSKASENKKFKPKVKDLEGEYWRIVEQATDEVEVYYGADLETKKFGSGFPKYKPGYPISEADQYSQCGWNLNNLSRLPGSVLAFESCDISGVIVPWLYVGMCFSTFCWHVEDHHLYSMNYLHTGDPKVWYGIPGNHAESFENVMKKRLPDLFEEQPDLLHQLVTQLSPRILKEEGVPVYRAVQRSGEFILTFPKAYHSGFNCGFNCAEAVNVAPVDWLVHGQNAVEGYSKQRRKSSLSHDKLLLGAAMEATYCLWELSLSKKKTPVIARWKRVCSEDGLLTKAVKKRVQMEEERLNHLQDGFSLRKMEGDFDNKRERECFLCFYDLHMSASSCKCSPNRFACLIHAKDLCSCESKDRYILIRHTLDELWALVRALEGDLDAIDLWASKCRDQYPSQHPRAREYAYLKSAPCIKSRGSSKVQQREQNNLQLVSERLQSDLTSNKEVQLKQDGDSDVNRHGHESERNHVHGITDKSAVTDVKLGVGGKFDEKKISVESQNPHSVSDVGCSELAKKVDGCLGGKDQNAATNRLSLSVELLSSGSLVVKKLWCSKQAIYPKGFKSRVKFLSVLDPTNLTNYISEVLDAGLLGPLFRVSVEDYPTENFSNVSAEKCWQMVTQRLKLEIIKKCDQPVSSLTSLQPLESINGLEMFGFLSPHVIKVVEALDPKHQLEEYWNQKAVKLFGAEPIKEGEKDDTEKGGASDPSLDRDTRLLRGLLKKATPEELVMMHGLLCGETRNTELKEELSTLVDKMEISP
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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average 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 (00:14:30)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/f0c9b8a886af64b/tmp/folded.pdb (00:14:30)
[INFO] Main: Simulation completed successfully. (00:19:14)
|
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 | 0.2084 | |
| 2 | D | A | -1.4560 | |
| 3 | Q | A | -0.8091 | |
| 4 | L | A | 1.1117 | |
| 5 | A | A | 0.3014 | |
| 6 | S | A | 0.0257 | |
| 7 | L | A | 1.4025 | |
| 8 | A | A | 0.4652 | |
| 9 | E | A | -0.8219 | |
| 10 | S | A | 0.2100 | |
| 11 | V | A | 1.2027 | |
| 12 | A | A | 0.1669 | |
| 13 | M | A | -0.3922 | |
| 14 | E | A | -2.3383 | |
| 15 | E | A | -3.3683 | |
| 16 | D | A | -3.6722 | |
| 17 | S | A | -3.1041 | |
| 18 | E | A | -3.6697 | |
| 19 | K | A | -3.5013 | |
| 20 | Q | A | -2.1507 | |
| 21 | S | A | -0.6700 | |
| 22 | I | A | 0.7279 | |
| 23 | K | A | -1.4040 | |
| 24 | G | A | -1.7486 | |
| 25 | E | A | -2.4072 | |
| 26 | S | A | -1.1074 | |
| 27 | S | A | -0.4151 | |
| 28 | L | A | -0.0260 | |
| 29 | E | A | -1.7994 | |
| 30 | P | A | -1.6775 | |
| 31 | D | A | -2.3469 | |
| 32 | S | A | -1.4810 | |
| 33 | T | A | -0.9314 | |
| 34 | P | A | -0.6985 | |
| 35 | S | A | -0.6693 | |
| 36 | S | A | -0.6958 | |
| 37 | P | A | -1.0721 | |
| 38 | K | A | -1.6681 | |
| 39 | I | A | -0.9823 | |
| 40 | T | A | -1.0707 | |
| 41 | A | A | 0.0000 | |
| 42 | R | A | -1.4737 | |
| 43 | W | A | -0.8388 | |
| 44 | N | A | -1.0164 | |
| 45 | P | A | -0.9234 | |
| 46 | S | A | -0.8296 | |
| 47 | E | A | -1.3183 | |
| 48 | A | A | -1.0891 | |
| 49 | C | A | -0.6706 | |
| 50 | R | A | -0.8587 | |
| 51 | P | A | 0.0000 | |
| 52 | L | A | 0.5178 | |
| 53 | V | A | -0.7807 | |
| 54 | D | A | -2.1450 | |
| 55 | D | A | -2.2024 | |
| 56 | A | A | 0.0000 | |
| 57 | P | A | -0.5181 | |
| 58 | I | A | 0.9535 | |
| 59 | F | A | 1.1271 | |
| 60 | Y | A | 1.6741 | |
| 61 | P | A | 0.0000 | |
| 62 | T | A | -1.0774 | |
| 63 | N | A | -2.4209 | |
| 64 | E | A | -3.3205 | |
| 65 | D | A | -2.3922 | |
| 66 | F | A | 0.0000 | |
| 67 | D | A | -3.1297 | |
| 68 | D | A | -2.2334 | |
| 69 | P | A | 0.0000 | |
| 70 | L | A | 0.0000 | |
| 71 | G | A | -1.6765 | |
| 72 | Y | A | 0.0000 | |
| 73 | I | A | 0.0000 | |
| 74 | E | A | -2.9083 | |
| 75 | K | A | -3.0183 | |
| 76 | L | A | 0.0000 | |
| 77 | R | A | -2.4201 | |
| 78 | S | A | -2.2201 | |
| 79 | K | A | -2.6123 | |
| 80 | A | A | 0.0000 | |
| 81 | E | A | -1.7590 | |
| 82 | S | A | -1.1767 | |
| 83 | Y | A | -0.6741 | |
| 84 | G | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | C | A | 0.0000 | |
| 87 | R | A | 0.0461 | |
| 88 | I | A | 0.0000 | |
| 89 | V | A | 0.8547 | |
| 90 | P | A | 0.0000 | |
| 91 | P | A | 0.4890 | |
| 92 | V | A | 1.6863 | |
| 93 | A | A | 0.7045 | |
| 94 | W | A | 0.1066 | |
| 95 | R | A | -0.7853 | |
| 96 | P | A | 0.0000 | |
| 97 | P | A | -0.7796 | |
| 98 | C | A | -0.7818 | |
| 99 | P | A | -1.6191 | |
| 100 | L | A | 0.0000 | |
| 101 | K | A | -3.0166 | |
| 102 | E | A | -4.0031 | |
| 103 | K | A | -4.4721 | |
| 104 | K | A | -3.9958 | |
| 105 | I | A | -3.0751 | |
| 106 | W | A | -3.4223 | |
| 107 | E | A | -4.2429 | |
| 108 | N | A | -3.5741 | |
| 109 | S | A | -2.5902 | |
| 110 | K | A | -2.5844 | |
| 111 | F | A | 0.0000 | |
| 112 | P | A | -1.5689 | |
| 113 | T | A | 0.0000 | |
| 114 | R | A | -1.2238 | |
| 115 | I | A | -0.4505 | |
| 116 | Q | A | 0.0000 | |
| 117 | F | A | -0.2484 | |
| 118 | I | A | 0.0000 | |
| 119 | D | A | -1.0923 | |
| 120 | L | A | -0.6061 | |
| 121 | L | A | 0.0000 | |
| 122 | Q | A | 0.0000 | |
| 123 | N | A | -1.6547 | |
| 124 | R | A | -1.5802 | |
| 125 | E | A | -2.4328 | |
| 126 | P | A | -2.3293 | |
| 127 | I | A | -1.6802 | |
| 128 | K | A | -2.5648 | |
| 129 | K | A | -2.6943 | |
| 130 | S | A | -1.8752 | |
| 131 | T | A | -1.7305 | |
| 132 | K | A | -2.6355 | |
| 133 | T | A | -2.3880 | |
| 134 | K | A | -3.4202 | |
| 135 | K | A | -4.1712 | |
| 136 | R | A | -4.2608 | |
| 137 | K | A | -4.2255 | |
| 138 | R | A | -4.3386 | |
| 139 | R | A | -3.5983 | |
| 140 | R | A | -2.3524 | |
| 141 | I | A | -0.0682 | |
| 142 | S | A | -0.2648 | |
| 143 | K | A | -0.6924 | |
| 144 | I | A | 1.1700 | |
| 145 | G | A | 0.9013 | |
| 146 | Y | A | 1.0960 | |
| 147 | T | A | -0.6776 | |
| 148 | R | A | -2.8366 | |
| 149 | R | A | -3.9917 | |
| 150 | K | A | -4.3923 | |
| 151 | R | A | -4.1111 | |
| 152 | D | A | -3.3018 | |
| 153 | S | A | -1.9169 | |
| 154 | G | A | -0.9832 | |
| 155 | C | A | -0.4085 | |
| 156 | D | A | -1.5581 | |
| 157 | T | A | -0.8064 | |
| 158 | A | A | -0.7186 | |
| 159 | S | A | -0.4572 | |
| 160 | S | A | -0.6206 | |
| 161 | G | A | -1.0100 | |
| 162 | S | A | -1.2999 | |
| 163 | S | A | -1.9259 | |
| 164 | D | A | -3.3059 | |
| 165 | S | A | -2.5761 | |
| 166 | E | A | -2.7090 | |
| 167 | G | A | -2.2859 | |
| 168 | K | A | -1.9140 | |
| 169 | F | A | -0.8754 | |
| 170 | G | A | -0.4822 | |
| 171 | F | A | -0.4669 | |
| 172 | Q | A | -1.1722 | |
| 173 | T | A | -1.1879 | |
| 174 | G | A | -1.0308 | |
| 175 | P | A | -1.4345 | |
| 176 | D | A | -2.4637 | |
| 177 | F | A | -1.9880 | |
| 178 | T | A | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | E | A | -2.6725 | |
| 181 | E | A | -2.5616 | |
| 182 | F | A | 0.0000 | |
| 183 | Q | A | -1.9871 | |
| 184 | K | A | -2.7340 | |
| 185 | Y | A | -1.6282 | |
| 186 | D | A | 0.0000 | |
| 187 | E | A | -2.5629 | |
| 188 | Y | A | -1.2295 | |
| 189 | F | A | 0.0000 | |
| 190 | K | A | -1.4907 | |
| 191 | E | A | -1.7709 | |
| 192 | C | A | -1.2131 | |
| 193 | Y | A | 0.0000 | |
| 194 | F | A | 0.0000 | |
| 195 | Q | A | -1.9862 | |
| 196 | S | A | -2.1314 | |
| 197 | E | A | -3.3186 | |
| 198 | D | A | -3.6505 | |
| 199 | H | A | -2.8720 | |
| 200 | P | A | -1.9795 | |
| 201 | G | A | -1.7275 | |
| 202 | S | A | -1.9904 | |
| 203 | K | A | -2.4653 | |
| 204 | A | A | -1.7165 | |
| 205 | S | A | -2.0726 | |
| 206 | E | A | -3.3524 | |
| 207 | N | A | -3.2388 | |
| 208 | K | A | -3.4054 | |
| 209 | K | A | -2.8674 | |
| 210 | F | A | -1.3242 | |
| 211 | K | A | -2.3462 | |
| 212 | P | A | -1.8187 | |
| 213 | K | A | -2.3589 | |
| 214 | V | A | -1.4393 | |
| 215 | K | A | -1.9499 | |
| 216 | D | A | -1.8870 | |
| 217 | L | A | 0.0000 | |
| 218 | E | A | 0.0000 | |
| 219 | G | A | 0.0000 | |
| 220 | E | A | 0.0000 | |
| 221 | Y | A | 0.0000 | |
| 222 | W | A | 0.0000 | |
| 223 | R | A | 0.0000 | |
| 224 | I | A | 0.0000 | |
| 225 | V | A | 0.0000 | |
| 226 | E | A | -0.8587 | |
| 227 | Q | A | -1.2464 | |
| 228 | A | A | -1.2493 | |
| 229 | T | A | -1.2887 | |
| 230 | D | A | -2.2155 | |
| 231 | E | A | -2.3055 | |
| 232 | V | A | 0.0000 | |
| 233 | E | A | -0.7742 | |
| 234 | V | A | 0.0000 | |
| 235 | Y | A | 0.0000 | |
| 236 | Y | A | 0.0000 | |
| 237 | G | A | 0.0000 | |
| 238 | A | A | -0.4888 | |
| 239 | D | A | -0.8968 | |
| 240 | L | A | 0.0000 | |
| 241 | E | A | -1.8721 | |
| 242 | T | A | 0.0000 | |
| 243 | K | A | -2.8463 | |
| 244 | K | A | -2.7504 | |
| 245 | F | A | 0.0000 | |
| 246 | G | A | -1.3132 | |
| 247 | S | A | 0.0000 | |
| 248 | G | A | 0.0000 | |
| 249 | F | A | 0.0000 | |
| 250 | P | A | 0.0000 | |
| 251 | K | A | -1.7244 | |
| 252 | Y | A | -0.0815 | |
| 253 | K | A | -0.4257 | |
| 254 | P | A | -0.1804 | |
| 255 | G | A | 0.1635 | |
| 256 | Y | A | 1.2980 | |
| 257 | P | A | 1.0685 | |
| 258 | I | A | 1.5884 | |
| 259 | S | A | -0.0269 | |
| 260 | E | A | -1.9679 | |
| 261 | A | A | -1.4207 | |
| 262 | D | A | 0.0000 | |
| 263 | Q | A | -1.9012 | |
| 264 | Y | A | 0.0000 | |
| 265 | S | A | 0.0000 | |
| 266 | Q | A | -1.6764 | |
| 267 | C | A | -1.2707 | |
| 268 | G | A | -0.9615 | |
| 269 | W | A | 0.0000 | |
| 270 | N | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | N | A | -0.8918 | |
| 273 | N | A | -0.8581 | |
| 274 | L | A | 0.0000 | |
| 275 | S | A | 0.0000 | |
| 276 | R | A | -0.8354 | |
| 277 | L | A | -0.3397 | |
| 278 | P | A | -0.2193 | |
| 279 | G | A | 0.0000 | |
| 280 | S | A | 0.0000 | |
| 281 | V | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | A | A | -0.3934 | |
| 284 | F | A | 0.0000 | |
| 285 | E | A | 0.0000 | |
| 286 | S | A | -0.3815 | |
| 287 | C | A | -0.0519 | |
| 288 | D | A | -0.8879 | |
| 289 | I | A | -0.1174 | |
| 290 | S | A | -0.5878 | |
| 291 | G | A | -0.4968 | |
| 292 | V | A | 0.0000 | |
| 293 | I | A | 0.0000 | |
| 294 | V | A | 0.0000 | |
| 295 | P | A | 0.0000 | |
| 296 | W | A | -0.4560 | |
| 297 | L | A | 0.0000 | |
| 298 | Y | A | 0.0068 | |
| 299 | V | A | 0.0000 | |
| 300 | G | A | 0.0000 | |
| 301 | M | A | 0.0000 | |
| 302 | C | A | 0.0000 | |
| 303 | F | A | 0.0000 | |
| 304 | S | A | 0.0000 | |
| 305 | T | A | 0.0000 | |
| 306 | F | A | 0.2974 | |
| 307 | C | A | 0.0000 | |
| 308 | W | A | 0.0000 | |
| 309 | H | A | -0.3501 | |
| 310 | V | A | -0.4866 | |
| 311 | E | A | -1.0914 | |
| 312 | D | A | -1.8290 | |
| 313 | H | A | 0.0000 | |
| 314 | H | A | 0.0000 | |
| 315 | L | A | 0.0000 | |
| 316 | Y | A | 0.0000 | |
| 317 | S | A | 0.0000 | |
| 318 | M | A | 0.0000 | |
| 319 | N | A | 0.0000 | |
| 320 | Y | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | H | A | 0.0000 | |
| 323 | T | A | -0.6966 | |
| 324 | G | A | -0.9606 | |
| 325 | D | A | -1.2126 | |
| 326 | P | A | -1.1187 | |
| 327 | K | A | 0.0000 | |
| 328 | V | A | 0.0000 | |
| 329 | W | A | 0.0000 | |
| 330 | Y | A | 0.0000 | |
| 331 | G | A | 0.0000 | |
| 332 | I | A | 0.0000 | |
| 333 | P | A | 0.0000 | |
| 334 | G | A | -1.4092 | |
| 335 | N | A | -2.0268 | |
| 336 | H | A | -1.7190 | |
| 337 | A | A | 0.0000 | |
| 338 | E | A | -2.5973 | |
| 339 | S | A | -1.7616 | |
| 340 | F | A | 0.0000 | |
| 341 | E | A | -1.9745 | |
| 342 | N | A | -2.4645 | |
| 343 | V | A | 0.0000 | |
| 344 | M | A | 0.0000 | |
| 345 | K | A | -3.0655 | |
| 346 | K | A | -3.1407 | |
| 347 | R | A | -2.2899 | |
| 348 | L | A | -2.0606 | |
| 349 | P | A | -2.6065 | |
| 350 | D | A | -3.2921 | |
| 351 | L | A | 0.0000 | |
| 352 | F | A | -2.1973 | |
| 353 | E | A | -2.9250 | |
| 354 | E | A | -2.3951 | |
| 355 | Q | A | 0.0000 | |
| 356 | P | A | -1.4515 | |
| 357 | D | A | -1.2608 | |
| 358 | L | A | 0.0000 | |
| 359 | L | A | -0.5489 | |
| 360 | H | A | -1.1425 | |
| 361 | Q | A | -0.4808 | |
| 362 | L | A | 0.2657 | |
| 363 | V | A | 0.0000 | |
| 364 | T | A | 0.0000 | |
| 365 | Q | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | S | A | 0.0000 | |
| 368 | P | A | 0.0000 | |
| 369 | R | A | -1.5786 | |
| 370 | I | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | K | A | -2.3954 | |
| 373 | E | A | -2.9685 | |
| 374 | E | A | -2.3832 | |
| 375 | G | A | -1.7049 | |
| 376 | V | A | 0.0000 | |
| 377 | P | A | -0.9338 | |
| 378 | V | A | 0.0000 | |
| 379 | Y | A | -0.8205 | |
| 380 | R | A | 0.0000 | |
| 381 | A | A | 0.0000 | |
| 382 | V | A | -0.2981 | |
| 383 | Q | A | 0.0000 | |
| 384 | R | A | -1.7581 | |
| 385 | S | A | -1.1594 | |
| 386 | G | A | 0.0000 | |
| 387 | E | A | 0.0000 | |
| 388 | F | A | 0.0000 | |
| 389 | I | A | 0.0000 | |
| 390 | L | A | 0.0000 | |
| 391 | T | A | 0.0000 | |
| 392 | F | A | 0.0000 | |
| 393 | P | A | 0.0000 | |
| 394 | K | A | -1.4655 | |
| 395 | A | A | 0.0000 | |
| 396 | Y | A | 0.0000 | |
| 397 | H | A | 0.0000 | |
| 398 | S | A | 0.0000 | |
| 399 | G | A | 0.0000 | |
| 400 | F | A | 0.0000 | |
| 401 | N | A | 0.0000 | |
| 402 | C | A | 0.0000 | |
| 403 | G | A | 0.0000 | |
| 404 | F | A | 0.0000 | |
| 405 | N | A | 0.0000 | |
| 406 | C | A | 0.0000 | |
| 407 | A | A | 0.0000 | |
| 408 | E | A | 0.0000 | |
| 409 | A | A | -0.0074 | |
| 410 | V | A | 0.0000 | |
| 411 | N | A | 0.0000 | |
| 412 | V | A | 0.0000 | |
| 413 | A | A | 0.0000 | |
| 414 | P | A | 0.0000 | |
| 415 | V | A | 0.0000 | |
| 416 | D | A | -0.1910 | |
| 417 | W | A | 0.0000 | |
| 418 | L | A | 0.0000 | |
| 419 | V | A | 0.0115 | |
| 420 | H | A | -0.5089 | |
| 421 | G | A | 0.0000 | |
| 422 | Q | A | 0.0000 | |
| 423 | N | A | -1.3236 | |
| 424 | A | A | 0.0000 | |
| 425 | V | A | 0.0000 | |
| 426 | E | A | -1.5388 | |
| 427 | G | A | -1.8290 | |
| 428 | Y | A | -2.1792 | |
| 429 | S | A | -2.0914 | |
| 430 | K | A | -2.9247 | |
| 431 | Q | A | -3.2533 | |
| 432 | R | A | -3.2263 | |
| 433 | R | A | -2.7015 | |
| 434 | K | A | -2.3758 | |
| 435 | S | A | -1.6514 | |
| 436 | S | A | -1.0998 | |
| 437 | L | A | 0.0000 | |
| 438 | S | A | -0.6342 | |
| 439 | H | A | 0.0000 | |
| 440 | D | A | 0.0000 | |
| 441 | K | A | -0.2559 | |
| 442 | L | A | 0.0000 | |
| 443 | L | A | 0.0000 | |
| 444 | L | A | 0.0000 | |
| 445 | G | A | -0.1282 | |
| 446 | A | A | 0.0000 | |
| 447 | A | A | 0.0000 | |
| 448 | M | A | 0.0000 | |
| 449 | E | A | 0.0000 | |
| 450 | A | A | 0.0000 | |
| 451 | T | A | 0.0000 | |
| 452 | Y | A | 0.0000 | |
| 453 | C | A | 0.0000 | |
| 454 | L | A | -0.2746 | |
| 455 | W | A | 0.3049 | |
| 456 | E | A | 0.0000 | |
| 457 | L | A | -0.4270 | |
| 458 | S | A | 0.5099 | |
| 459 | L | A | 0.7623 | |
| 460 | S | A | -0.5645 | |
| 461 | K | A | -1.6580 | |
| 462 | K | A | -2.7684 | |
| 463 | K | A | -2.8699 | |
| 464 | T | A | -1.4481 | |
| 465 | P | A | -0.9349 | |
| 466 | V | A | -0.6193 | |
| 467 | I | A | 0.0000 | |
| 468 | A | A | -1.4790 | |
| 469 | R | A | -1.5370 | |
| 470 | W | A | 0.0000 | |
| 471 | K | A | -2.4018 | |
| 472 | R | A | -2.5968 | |
| 473 | V | A | -1.6406 | |
| 474 | C | A | 0.0000 | |
| 475 | S | A | -2.6878 | |
| 476 | E | A | -3.4327 | |
| 477 | D | A | -3.0872 | |
| 478 | G | A | 0.0000 | |
| 479 | L | A | -0.7477 | |
| 480 | L | A | 0.0000 | |
| 481 | T | A | 0.0000 | |
| 482 | K | A | -2.4113 | |
| 483 | A | A | 0.0000 | |
| 484 | V | A | 0.0000 | |
| 485 | K | A | -2.3156 | |
| 486 | K | A | -2.2286 | |
| 487 | R | A | 0.0000 | |
| 488 | V | A | 0.0000 | |
| 489 | Q | A | -1.8445 | |
| 490 | M | A | -1.5727 | |
| 491 | E | A | 0.0000 | |
| 492 | E | A | -2.0114 | |
| 493 | E | A | -2.6391 | |
| 494 | R | A | -1.4323 | |
| 495 | L | A | -1.3242 | |
| 496 | N | A | -2.7459 | |
| 497 | H | A | -2.2096 | |
| 498 | L | A | -1.8911 | |
| 499 | Q | A | -2.6255 | |
| 500 | D | A | -2.8996 | |
| 501 | G | A | -1.9756 | |
| 502 | F | A | -1.1351 | |
| 503 | S | A | -0.2612 | |
| 504 | L | A | 0.6059 | |
| 505 | R | A | -1.4070 | |
| 506 | K | A | -2.4110 | |
| 507 | M | A | 0.0000 | |
| 508 | E | A | -3.1653 | |
| 509 | G | A | -2.7959 | |
| 510 | D | A | -3.5963 | |
| 511 | F | A | 0.0000 | |
| 512 | D | A | -3.5919 | |
| 513 | N | A | -3.5559 | |
| 514 | K | A | -3.9390 | |
| 515 | R | A | -4.3606 | |
| 516 | E | A | -3.7170 | |
| 517 | R | A | -2.6525 | |
| 518 | E | A | -1.7090 | |
| 519 | C | A | 0.0000 | |
| 520 | F | A | -0.1162 | |
| 521 | L | A | -0.1301 | |
| 522 | C | A | 0.0000 | |
| 523 | F | A | -1.1463 | |
| 524 | Y | A | 0.0000 | |
| 525 | D | A | -1.0915 | |
| 526 | L | A | 0.0000 | |
| 527 | H | A | 0.0000 | |
| 528 | M | A | 0.0000 | |
| 529 | S | A | 0.0000 | |
| 530 | A | A | 0.0000 | |
| 531 | S | A | 0.0000 | |
| 532 | S | A | 0.0000 | |
| 533 | C | A | 0.0000 | |
| 534 | K | A | -1.9452 | |
| 535 | C | A | -0.4521 | |
| 536 | S | A | -1.0475 | |
| 537 | P | A | -1.5472 | |
| 538 | N | A | -1.9803 | |
| 539 | R | A | -1.9141 | |
| 540 | F | A | 0.0000 | |
| 541 | A | A | 0.0000 | |
| 542 | C | A | 0.0000 | |
| 543 | L | A | 0.0000 | |
| 544 | I | A | 0.6113 | |
| 545 | H | A | -0.4501 | |
| 546 | A | A | 0.0000 | |
| 547 | K | A | -2.4246 | |
| 548 | D | A | -2.3463 | |
| 549 | L | A | 0.0000 | |
| 550 | C | A | -0.9073 | |
| 551 | S | A | -0.9589 | |
| 552 | C | A | -1.2843 | |
| 553 | E | A | -2.3399 | |
| 554 | S | A | -2.5464 | |
| 555 | K | A | -2.8321 | |
| 556 | D | A | -1.9437 | |
| 557 | R | A | 0.0000 | |
| 558 | Y | A | 0.0000 | |
| 559 | I | A | 0.0000 | |
| 560 | L | A | 0.0000 | |
| 561 | I | A | 0.0000 | |
| 562 | R | A | 0.0000 | |
| 563 | H | A | 0.0000 | |
| 564 | T | A | -0.7419 | |
| 565 | L | A | -0.7058 | |
| 566 | D | A | -1.6807 | |
| 567 | E | A | -1.0052 | |
| 568 | L | A | 0.0000 | |
| 569 | W | A | -0.9610 | |
| 570 | A | A | -1.2371 | |
| 571 | L | A | 0.0000 | |
| 572 | V | A | 0.0000 | |
| 573 | R | A | -2.2689 | |
| 574 | A | A | 0.0000 | |
| 575 | L | A | 0.0000 | |
| 576 | E | A | -2.4901 | |
| 577 | G | A | -1.4936 | |
| 578 | D | A | -1.5228 | |
| 579 | L | A | -0.4092 | |
| 580 | D | A | -1.9127 | |
| 581 | A | A | 0.0000 | |
| 582 | I | A | 0.0000 | |
| 583 | D | A | -1.8050 | |
| 584 | L | A | -0.7083 | |
| 585 | W | A | 0.0000 | |
| 586 | A | A | 0.0000 | |
| 587 | S | A | -1.2917 | |
| 588 | K | A | -1.5150 | |
| 589 | C | A | 0.0000 | |
| 590 | R | A | -1.8399 | |
| 591 | D | A | -2.6598 | |
| 592 | Q | A | -2.3357 | |
| 593 | Y | A | -1.2474 | |
| 594 | P | A | -1.7053 | |
| 595 | S | A | -0.8731 | |
| 596 | Q | A | -0.6118 | |
| 597 | H | A | -1.0001 | |
| 598 | P | A | -0.9158 | |
| 599 | R | A | -1.4563 | |
| 600 | A | A | -1.5041 | |
| 601 | R | A | -2.2830 | |
| 602 | E | A | -2.0303 | |
| 603 | Y | A | 0.0000 | |
| 604 | A | A | -0.8539 | |
| 605 | Y | A | 0.2307 | |
| 606 | L | A | -0.1225 | |
| 607 | K | A | -1.2953 | |
| 608 | S | A | -0.2785 | |
| 609 | A | A | 0.3177 | |
| 610 | P | A | 0.2880 | |
| 611 | C | A | 1.1065 | |
| 612 | I | A | 1.2066 | |
| 613 | K | A | -1.0420 | |
| 614 | S | A | -1.3948 | |
| 615 | R | A | -2.3270 | |
| 616 | G | A | -1.5779 | |
| 617 | S | A | -1.2549 | |
| 618 | S | A | -0.9073 | |
| 619 | K | A | -1.4217 | |
| 620 | V | A | -0.1801 | |
| 621 | Q | A | -2.1531 | |
| 622 | Q | A | -3.2249 | |
| 623 | R | A | -3.9592 | |
| 624 | E | A | -4.1534 | |
| 625 | Q | A | -3.6795 | |
| 626 | N | A | -3.0841 | |
| 627 | N | A | -1.5955 | |
| 628 | L | A | 0.1347 | |
| 629 | Q | A | -0.7589 | |
| 630 | L | A | 1.0101 | |
| 631 | V | A | 1.5497 | |
| 632 | S | A | -0.2065 | |
| 633 | E | A | -2.0893 | |
| 634 | R | A | -2.1519 | |
| 635 | L | A | -0.2907 | |
| 636 | Q | A | -1.8564 | |
| 637 | S | A | -1.7937 | |
| 638 | D | A | -1.8984 | |
| 639 | L | A | 0.2476 | |
| 640 | T | A | -0.8170 | |
| 641 | S | A | -1.4834 | |
| 642 | N | A | -2.3251 | |
| 643 | K | A | -2.9860 | |
| 644 | E | A | -2.3529 | |
| 645 | V | A | 0.0389 | |
| 646 | Q | A | -0.6553 | |
| 647 | L | A | 0.1258 | |
| 648 | K | A | -2.1140 | |
| 649 | Q | A | -2.6863 | |
| 650 | D | A | -3.3193 | |
| 651 | G | A | -2.6366 | |
| 652 | D | A | -2.9163 | |
| 653 | S | A | -1.7076 | |
| 654 | D | A | -1.6763 | |
| 655 | V | A | -0.1191 | |
| 656 | N | A | -1.8321 | |
| 657 | R | A | -2.6674 | |
| 658 | H | A | -2.7444 | |
| 659 | G | A | -2.2711 | |
| 660 | H | A | -2.5624 | |
| 661 | E | A | -3.0819 | |
| 662 | S | A | -2.5982 | |
| 663 | E | A | -3.4815 | |
| 664 | R | A | -3.6430 | |
| 665 | N | A | -2.7032 | |
| 666 | H | A | -1.4323 | |
| 667 | V | A | 0.4354 | |
| 668 | H | A | -0.1088 | |
| 669 | G | A | 0.4250 | |
| 670 | I | A | 1.1075 | |
| 671 | T | A | -0.5377 | |
| 672 | D | A | -2.2261 | |
| 673 | K | A | -2.4949 | |
| 674 | S | A | -0.9300 | |
| 675 | A | A | 0.1671 | |
| 676 | V | A | 1.3652 | |
| 677 | T | A | 0.1518 | |
| 678 | D | A | -0.8625 | |
| 679 | V | A | 0.6022 | |
| 680 | K | A | -0.4948 | |
| 681 | L | A | 1.1197 | |
| 682 | G | A | 0.7299 | |
| 683 | V | A | 1.3468 | |
| 684 | G | A | -0.0537 | |
| 685 | G | A | -0.8832 | |
| 686 | K | A | -1.7256 | |
| 687 | F | A | -0.5574 | |
| 688 | D | A | -2.8304 | |
| 689 | E | A | -3.4666 | |
| 690 | K | A | -3.1006 | |
| 691 | K | A | -2.0988 | |
| 692 | I | A | 0.6590 | |
| 693 | S | A | 0.4995 | |
| 694 | V | A | 0.8948 | |
| 695 | E | A | -1.3718 | |
| 696 | S | A | -1.5095 | |
| 697 | Q | A | -2.2783 | |
| 698 | N | A | -2.4806 | |
| 699 | P | A | -1.7068 | |
| 700 | H | A | -1.0729 | |
| 701 | S | A | -0.2759 | |
| 702 | V | A | 0.9502 | |
| 703 | S | A | -0.1580 | |
| 704 | D | A | -0.8145 | |
| 705 | V | A | 0.8048 | |
| 706 | G | A | 0.2748 | |
| 707 | C | A | 0.4192 | |
| 708 | S | A | -0.5190 | |
| 709 | E | A | -1.2227 | |
| 710 | L | A | 0.0462 | |
| 711 | A | A | -0.6678 | |
| 712 | K | A | -2.2706 | |
| 713 | K | A | -2.0764 | |
| 714 | V | A | -0.3264 | |
| 715 | D | A | -1.7666 | |
| 716 | G | A | -0.5741 | |
| 717 | C | A | 0.9795 | |
| 718 | L | A | 1.4903 | |
| 719 | G | A | -0.1888 | |
| 720 | G | A | -1.6388 | |
| 721 | K | A | -3.1848 | |
| 722 | D | A | -3.5893 | |
| 723 | Q | A | -3.0240 | |
| 724 | N | A | -2.1742 | |
| 725 | A | A | -1.1749 | |
| 726 | A | A | -0.8235 | |
| 727 | T | A | -1.2485 | |
| 728 | N | A | -2.1189 | |
| 729 | R | A | -2.4800 | |
| 730 | L | A | -1.0731 | |
| 731 | S | A | -0.7663 | |
| 732 | L | A | -0.5538 | |
| 733 | S | A | -0.6923 | |
| 734 | V | A | -0.9417 | |
| 735 | E | A | -1.4520 | |
| 736 | L | A | -0.3750 | |
| 737 | L | A | 0.0745 | |
| 738 | S | A | -0.3641 | |
| 739 | S | A | -0.1342 | |
| 740 | G | A | -0.5994 | |
| 741 | S | A | -0.2909 | |
| 742 | L | A | 0.2297 | |
| 743 | V | A | 0.1068 | |
| 744 | V | A | 0.2745 | |
| 745 | K | A | -1.3795 | |
| 746 | K | A | -1.9397 | |
| 747 | L | A | 0.1353 | |
| 748 | W | A | 0.0000 | |
| 749 | C | A | -1.0108 | |
| 750 | S | A | -1.8246 | |
| 751 | K | A | -3.1629 | |
| 752 | Q | A | -2.1661 | |
| 753 | A | A | 0.0000 | |
| 754 | I | A | 0.0000 | |
| 755 | Y | A | 0.0836 | |
| 756 | P | A | 0.0000 | |
| 757 | K | A | -1.3857 | |
| 758 | G | A | -1.1398 | |
| 759 | F | A | 0.0000 | |
| 760 | K | A | -0.8960 | |
| 761 | S | A | 0.0000 | |
| 762 | R | A | -1.1121 | |
| 763 | V | A | 0.0000 | |
| 764 | K | A | -1.1514 | |
| 765 | F | A | 0.0000 | |
| 766 | L | A | -0.0084 | |
| 767 | S | A | 0.0000 | |
| 768 | V | A | 0.0000 | |
| 769 | L | A | 0.3286 | |
| 770 | D | A | -0.5854 | |
| 771 | P | A | -0.3328 | |
| 772 | T | A | -0.6978 | |
| 773 | N | A | -0.8212 | |
| 774 | L | A | 0.0305 | |
| 775 | T | A | -0.5639 | |
| 776 | N | A | -0.9350 | |
| 777 | Y | A | 0.0000 | |
| 778 | I | A | -0.9539 | |
| 779 | S | A | 0.0000 | |
| 780 | E | A | -0.7284 | |
| 781 | V | A | 0.0000 | |
| 782 | L | A | -0.4509 | |
| 783 | D | A | -0.7999 | |
| 784 | A | A | 0.0287 | |
| 785 | G | A | -0.2071 | |
| 786 | L | A | 0.2426 | |
| 787 | L | A | 0.6479 | |
| 788 | G | A | 0.0000 | |
| 789 | P | A | 0.0000 | |
| 790 | L | A | 0.3685 | |
| 791 | F | A | 0.0000 | |
| 792 | R | A | -0.5993 | |
| 793 | V | A | 0.0000 | |
| 794 | S | A | 0.0000 | |
| 795 | V | A | 0.0000 | |
| 796 | E | A | -1.5335 | |
| 797 | D | A | -1.6927 | |
| 798 | Y | A | -0.2612 | |
| 799 | P | A | -0.6661 | |
| 800 | T | A | -0.5051 | |
| 801 | E | A | -0.6424 | |
| 802 | N | A | -0.9918 | |
| 803 | F | A | -0.7698 | |
| 804 | S | A | -0.1328 | |
| 805 | N | A | 0.1619 | |
| 806 | V | A | 1.3217 | |
| 807 | S | A | -0.0604 | |
| 808 | A | A | 0.0000 | |
| 809 | E | A | -1.4743 | |
| 810 | K | A | -1.4345 | |
| 811 | C | A | 0.0000 | |
| 812 | W | A | 0.0000 | |
| 813 | Q | A | -1.6622 | |
| 814 | M | A | -1.0032 | |
| 815 | V | A | 0.0000 | |
| 816 | T | A | -1.1128 | |
| 817 | Q | A | -1.2482 | |
| 818 | R | A | -0.7292 | |
| 819 | L | A | 0.0000 | |
| 820 | K | A | -0.5063 | |
| 821 | L | A | 0.0907 | |
| 822 | E | A | 0.0000 | |
| 823 | I | A | 0.0000 | |
| 824 | I | A | 0.6546 | |
| 825 | K | A | -1.8115 | |
| 826 | K | A | -2.3892 | |
| 827 | C | A | -1.3978 | |
| 828 | D | A | -2.3287 | |
| 829 | Q | A | -1.4602 | |
| 830 | P | A | 0.0475 | |
| 831 | V | A | 1.5802 | |
| 832 | S | A | 0.4134 | |
| 833 | S | A | 0.2098 | |
| 834 | L | A | 0.6268 | |
| 835 | T | A | 0.0267 | |
| 836 | S | A | -0.3394 | |
| 837 | L | A | -0.4242 | |
| 838 | Q | A | -1.7879 | |
| 839 | P | A | -1.2669 | |
| 840 | L | A | 0.0000 | |
| 841 | E | A | -2.2695 | |
| 842 | S | A | -1.4306 | |
| 843 | I | A | -1.2147 | |
| 844 | N | A | -1.5714 | |
| 845 | G | A | 0.0000 | |
| 846 | L | A | -0.9449 | |
| 847 | E | A | -1.1953 | |
| 848 | M | A | 0.0000 | |
| 849 | F | A | 0.0000 | |
| 850 | G | A | 0.0000 | |
| 851 | F | A | 0.0000 | |
| 852 | L | A | -0.3307 | |
| 853 | S | A | -0.7379 | |
| 854 | P | A | -0.8406 | |
| 855 | H | A | -1.4369 | |
| 856 | V | A | 0.0000 | |
| 857 | I | A | -0.5372 | |
| 858 | K | A | -1.6216 | |
| 859 | V | A | -0.3916 | |
| 860 | V | A | 0.0000 | |
| 861 | E | A | -0.6741 | |
| 862 | A | A | -0.4293 | |
| 863 | L | A | -0.1229 | |
| 864 | D | A | 0.0000 | |
| 865 | P | A | -1.3484 | |
| 866 | K | A | -2.5756 | |
| 867 | H | A | -2.5805 | |
| 868 | Q | A | -2.0464 | |
| 869 | L | A | 0.0000 | |
| 870 | E | A | -3.5655 | |
| 871 | E | A | -3.5656 | |
| 872 | Y | A | -2.7103 | |
| 873 | W | A | -2.5228 | |
| 874 | N | A | -2.5341 | |
| 875 | Q | A | -2.2799 | |
| 876 | K | A | -1.3218 | |
| 877 | A | A | 0.0285 | |
| 878 | V | A | -0.0114 | |
| 879 | K | A | -0.4826 | |
| 880 | L | A | 1.5665 | |
| 881 | F | A | 1.8744 | |
| 882 | G | A | 0.2363 | |
| 883 | A | A | -0.0416 | |
| 884 | E | A | -1.3264 | |
| 885 | P | A | -0.5873 | |
| 886 | I | A | 0.1318 | |
| 887 | K | A | -1.9904 | |
| 888 | E | A | -2.7372 | |
| 889 | G | A | -2.9879 | |
| 890 | E | A | -3.9219 | |
| 891 | K | A | -4.0785 | |
| 892 | D | A | -3.9655 | |
| 893 | D | A | -3.6592 | |
| 894 | T | A | -2.5581 | |
| 895 | E | A | -3.1861 | |
| 896 | K | A | -2.9132 | |
| 897 | G | A | -1.9189 | |
| 898 | G | A | -1.5277 | |
| 899 | A | A | -1.0690 | |
| 900 | S | A | -1.1632 | |
| 901 | D | A | -2.0631 | |
| 902 | P | A | -1.6062 | |
| 903 | S | A | -1.4711 | |
| 904 | L | A | -2.0991 | |
| 905 | D | A | -3.1324 | |
| 906 | R | A | -3.0871 | |
| 907 | D | A | -2.4299 | |
| 908 | T | A | -1.9298 | |
| 909 | R | A | -1.8943 | |
| 910 | L | A | -0.2566 | |
| 911 | L | A | -0.5609 | |
| 912 | R | A | -1.5121 | |
| 913 | G | A | -1.1702 | |
| 914 | L | A | 0.0716 | |
| 915 | L | A | -0.7475 | |
| 916 | K | A | -2.4519 | |
| 917 | K | A | -2.6421 | |
| 918 | A | A | -1.3234 | |
| 919 | T | A | -1.1475 | |
| 920 | P | A | -0.3882 | |
| 921 | E | A | -0.7431 | |
| 922 | E | A | -1.1842 | |
| 923 | L | A | 0.0049 | |
| 924 | V | A | 1.5335 | |
| 925 | M | A | 0.9753 | |
| 926 | M | A | 1.0007 | |
| 927 | H | A | 0.7765 | |
| 928 | G | A | 0.4386 | |
| 929 | L | A | 0.2909 | |
| 930 | L | A | 0.6624 | |
| 931 | C | A | 0.4066 | |
| 932 | G | A | -1.1303 | |
| 933 | E | A | -2.1243 | |
| 934 | T | A | -1.9485 | |
| 935 | R | A | -2.9594 | |
| 936 | N | A | -2.8289 | |
| 937 | T | A | -2.6695 | |
| 938 | E | A | -3.3990 | |
| 939 | L | A | -2.2650 | |
| 940 | K | A | -2.8007 | |
| 941 | E | A | -3.4298 | |
| 942 | E | A | -3.1749 | |
| 943 | L | A | -1.6651 | |
| 944 | S | A | -1.7968 | |
| 945 | T | A | -2.1403 | |
| 946 | L | A | -1.4763 | |
| 947 | V | A | -1.2231 | |
| 948 | D | A | -2.5391 | |
| 949 | K | A | -2.1081 | |
| 950 | M | A | -1.1732 | |
| 951 | E | A | -1.7902 | |
| 952 | I | A | 0.0913 | |
| 953 | S | A | -0.6240 | |
| 954 | P | A | -0.1568 |
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 | -0.9819 | 4.4968 | View | CSV | PDB |
| 4.5 | -1.0679 | 4.4505 | View | CSV | PDB |
| 5.0 | -1.1734 | 4.3924 | View | CSV | PDB |
| 5.5 | -1.2765 | 4.3407 | View | CSV | PDB |
| 6.0 | -1.3536 | 4.3209 | View | CSV | PDB |
| 6.5 | -1.3882 | 4.3587 | View | CSV | PDB |
| 7.0 | -1.3802 | 4.4557 | View | CSV | PDB |
| 7.5 | -1.3428 | 4.5893 | View | CSV | PDB |
| 8.0 | -1.2889 | 4.7385 | View | CSV | PDB |
| 8.5 | -1.2235 | 4.8929 | View | CSV | PDB |
| 9.0 | -1.1467 | 5.0481 | 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