| Chain sequence(s) |
A: MIKLLVLWLLILTIFLKSPTVEGDVSFRLSGATTTSYGVFIKNLREALPYERKVYNIPLLRSSISGSGRYTLLHLTNYADETISVAVDVTNVYIMGYLAGDVSYFFNEASATEAAKFVFKDAKKKVTLPYSGNYERLQTAAGKIRENIPLGLPALDSAITTLYYYTASSAASALLVLIQSTAESARYKFIEQQIGKRVDKTFLPSLATISLENNWSALSKQIQIASTNNGQFESPVVLIDGNNQRVSITNASARVVTSNIALLLNRNNIAAIGEDISMTLIGFEHGLYGIAAAGGGGSGGGGSGGGGSMAQVQLVESGGGVVQPGRSLRLSCSSSGFIFSDNYMYWVRQAPGKGLEWVATISDGGSYTYYPDSVKGRFTISRDNSKNTLFLQMDSLRPEDTGVYFCARGYYRYEGAMDYWGQGTPVTVSSGGGGSGGGGSGGGGSDIQLTQSPSSLSASVGDRVTITCKSSQSVLYSSNQKNYLAWYQQKPGKAPKLLIYWASTRESGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCHQYLSSWTFGQGTKLEIK
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 globular. Max score is recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:08:07)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/904717410af54e8/tmp/folded.pdb (00:08:07)
[INFO] Main: Simulation completed successfully. (00:11:08)
|
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 | 2.2937 | |
| 2 | I | A | 2.8777 | |
| 3 | K | A | 1.4183 | |
| 4 | L | A | 3.4095 | |
| 5 | L | A | 4.1741 | |
| 6 | V | A | 4.4093 | |
| 7 | L | A | 4.6869 | |
| 8 | W | A | 4.8794 | |
| 9 | L | A | 5.2039 | |
| 10 | L | A | 5.2347 | |
| 11 | I | A | 5.4479 | |
| 12 | L | A | 5.0050 | |
| 13 | T | A | 3.8562 | |
| 14 | I | A | 4.2588 | |
| 15 | F | A | 3.6555 | |
| 16 | L | A | 2.3070 | |
| 17 | K | A | -0.2400 | |
| 18 | S | A | -0.2363 | |
| 19 | P | A | -0.3807 | |
| 20 | T | A | -0.3128 | |
| 21 | V | A | 0.6242 | |
| 22 | E | A | -1.2560 | |
| 23 | G | A | -1.2844 | |
| 24 | D | A | -0.5982 | |
| 25 | V | A | 0.0000 | |
| 26 | S | A | -0.9155 | |
| 27 | F | A | 0.0000 | |
| 28 | R | A | -2.2042 | |
| 29 | L | A | 0.0000 | |
| 30 | S | A | -0.8796 | |
| 31 | G | A | -0.7118 | |
| 32 | A | A | -0.8098 | |
| 33 | T | A | -0.6172 | |
| 34 | T | A | -0.9351 | |
| 35 | T | A | -0.0036 | |
| 36 | S | A | -0.1742 | |
| 37 | Y | A | 0.0000 | |
| 38 | G | A | -0.6449 | |
| 39 | V | A | 0.2758 | |
| 40 | F | A | 0.0000 | |
| 41 | I | A | 0.0000 | |
| 42 | K | A | -2.3425 | |
| 43 | N | A | -2.3869 | |
| 44 | L | A | 0.0000 | |
| 45 | R | A | -1.8465 | |
| 46 | E | A | -2.7266 | |
| 47 | A | A | -1.7122 | |
| 48 | L | A | 0.0000 | |
| 49 | P | A | -1.0018 | |
| 50 | Y | A | -1.3987 | |
| 51 | E | A | -2.8777 | |
| 52 | R | A | -3.2227 | |
| 53 | K | A | -2.3764 | |
| 54 | V | A | 0.0000 | |
| 55 | Y | A | -0.3519 | |
| 56 | N | A | -1.5169 | |
| 57 | I | A | 0.0000 | |
| 58 | P | A | -1.4201 | |
| 59 | L | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | R | A | -2.0685 | |
| 62 | S | A | -1.3597 | |
| 63 | S | A | -0.7770 | |
| 64 | I | A | -0.4650 | |
| 65 | S | A | -0.4361 | |
| 66 | G | A | -0.6884 | |
| 67 | S | A | -0.6249 | |
| 68 | G | A | -0.6925 | |
| 69 | R | A | -0.6608 | |
| 70 | Y | A | 0.0000 | |
| 71 | T | A | 0.0000 | |
| 72 | L | A | 0.3090 | |
| 73 | L | A | 0.0000 | |
| 74 | H | A | -0.5307 | |
| 75 | L | A | 0.0000 | |
| 76 | T | A | -1.2777 | |
| 77 | N | A | 0.0000 | |
| 78 | Y | A | -0.0844 | |
| 79 | A | A | -0.4339 | |
| 80 | D | A | -1.8821 | |
| 81 | E | A | -0.9132 | |
| 82 | T | A | -0.7472 | |
| 83 | I | A | 0.0000 | |
| 84 | S | A | 0.0324 | |
| 85 | V | A | 0.0000 | |
| 86 | A | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | D | A | 0.0000 | |
| 89 | V | A | 0.0000 | |
| 90 | T | A | 0.0000 | |
| 91 | N | A | -0.3239 | |
| 92 | V | A | 0.0000 | |
| 93 | Y | A | 0.0928 | |
| 94 | I | A | 0.0000 | |
| 95 | M | A | 0.0000 | |
| 96 | G | A | 0.0000 | |
| 97 | Y | A | 0.0000 | |
| 98 | L | A | -0.3542 | |
| 99 | A | A | 0.0000 | |
| 100 | G | A | -1.3276 | |
| 101 | D | A | -3.2663 | |
| 102 | V | A | -2.2469 | |
| 103 | S | A | 0.0000 | |
| 104 | Y | A | 0.0000 | |
| 105 | F | A | 0.0000 | |
| 106 | F | A | 0.0000 | |
| 107 | N | A | -1.3464 | |
| 108 | E | A | 0.0000 | |
| 109 | A | A | -0.7384 | |
| 110 | S | A | -0.7053 | |
| 111 | A | A | 0.0000 | |
| 112 | T | A | -1.0519 | |
| 113 | E | A | -1.3966 | |
| 114 | A | A | 0.0000 | |
| 115 | A | A | -1.5039 | |
| 116 | K | A | -2.0975 | |
| 117 | F | A | -0.9266 | |
| 118 | V | A | 0.0000 | |
| 119 | F | A | -1.9974 | |
| 120 | K | A | -3.3338 | |
| 121 | D | A | -3.6485 | |
| 122 | A | A | -3.6243 | |
| 123 | K | A | -4.0809 | |
| 124 | K | A | -3.9057 | |
| 125 | K | A | -3.2096 | |
| 126 | V | A | -1.0452 | |
| 127 | T | A | -0.7719 | |
| 128 | L | A | 0.0000 | |
| 129 | P | A | -0.7958 | |
| 130 | Y | A | 0.0000 | |
| 131 | S | A | -1.3461 | |
| 132 | G | A | 0.0000 | |
| 133 | N | A | -0.9250 | |
| 134 | Y | A | -0.6541 | |
| 135 | E | A | -1.0950 | |
| 136 | R | A | -2.0743 | |
| 137 | L | A | 0.0000 | |
| 138 | Q | A | 0.0000 | |
| 139 | T | A | -1.0156 | |
| 140 | A | A | -0.8894 | |
| 141 | A | A | -0.8208 | |
| 142 | G | A | -0.9551 | |
| 143 | K | A | -1.0193 | |
| 144 | I | A | -0.4006 | |
| 145 | R | A | 0.0000 | |
| 146 | E | A | -0.2480 | |
| 147 | N | A | -0.2963 | |
| 148 | I | A | 0.0000 | |
| 149 | P | A | -0.1488 | |
| 150 | L | A | 0.0000 | |
| 151 | G | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | P | A | -1.0243 | |
| 154 | A | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | D | A | -0.5959 | |
| 157 | S | A | -0.1924 | |
| 158 | A | A | 0.0000 | |
| 159 | I | A | 0.0000 | |
| 160 | T | A | 0.2643 | |
| 161 | T | A | 0.4750 | |
| 162 | L | A | 0.0000 | |
| 163 | Y | A | 1.0869 | |
| 164 | Y | A | 1.5840 | |
| 165 | Y | A | 1.0367 | |
| 166 | T | A | 0.4213 | |
| 167 | A | A | 0.0891 | |
| 168 | S | A | -0.2467 | |
| 169 | S | A | -0.1795 | |
| 170 | A | A | 0.0000 | |
| 171 | A | A | 0.0000 | |
| 172 | S | A | -0.3171 | |
| 173 | A | A | 0.0000 | |
| 174 | L | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | V | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | I | A | 0.0000 | |
| 179 | Q | A | 0.0000 | |
| 180 | S | A | 0.0000 | |
| 181 | T | A | 0.0000 | |
| 182 | A | A | 0.0000 | |
| 183 | E | A | 0.0000 | |
| 184 | S | A | 0.0000 | |
| 185 | A | A | 0.0000 | |
| 186 | R | A | 0.0000 | |
| 187 | Y | A | 0.0000 | |
| 188 | K | A | -1.2696 | |
| 189 | F | A | -0.6951 | |
| 190 | I | A | 0.0000 | |
| 191 | E | A | -1.5547 | |
| 192 | Q | A | -2.1637 | |
| 193 | Q | A | -1.5375 | |
| 194 | I | A | 0.0000 | |
| 195 | G | A | 0.0000 | |
| 196 | K | A | -2.8633 | |
| 197 | R | A | -2.6362 | |
| 198 | V | A | -1.9966 | |
| 199 | D | A | -2.9639 | |
| 200 | K | A | -2.9160 | |
| 201 | T | A | -1.1770 | |
| 202 | F | A | -0.1597 | |
| 203 | L | A | 0.4934 | |
| 204 | P | A | 0.0000 | |
| 205 | S | A | -0.3266 | |
| 206 | L | A | -0.3487 | |
| 207 | A | A | 0.0000 | |
| 208 | T | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | S | A | 0.0000 | |
| 211 | L | A | 0.0000 | |
| 212 | E | A | 0.0000 | |
| 213 | N | A | 0.1085 | |
| 214 | N | A | 0.0000 | |
| 215 | W | A | 0.0000 | |
| 216 | S | A | -0.2111 | |
| 217 | A | A | -0.1874 | |
| 218 | L | A | 0.0000 | |
| 219 | S | A | 0.0000 | |
| 220 | K | A | -1.3386 | |
| 221 | Q | A | -1.3621 | |
| 222 | I | A | 0.0000 | |
| 223 | Q | A | 0.0000 | |
| 224 | I | A | -1.1032 | |
| 225 | A | A | 0.0000 | |
| 226 | S | A | -0.6773 | |
| 227 | T | A | -0.7823 | |
| 228 | N | A | -1.7780 | |
| 229 | N | A | -1.9634 | |
| 230 | G | A | -1.7302 | |
| 231 | Q | A | -2.5100 | |
| 232 | F | A | 0.0000 | |
| 233 | E | A | -2.4538 | |
| 234 | S | A | -1.4420 | |
| 235 | P | A | -1.0198 | |
| 236 | V | A | 0.0000 | |
| 237 | V | A | 0.1209 | |
| 238 | L | A | 0.0000 | |
| 239 | I | A | -1.3237 | |
| 240 | D | A | -1.7901 | |
| 241 | G | A | -1.8741 | |
| 242 | N | A | -2.5360 | |
| 243 | N | A | -2.3292 | |
| 244 | Q | A | -2.7864 | |
| 245 | R | A | -2.4482 | |
| 246 | V | A | -0.7542 | |
| 247 | S | A | -0.4424 | |
| 248 | I | A | 0.0000 | |
| 249 | T | A | -1.0097 | |
| 250 | N | A | -1.8703 | |
| 251 | A | A | 0.0000 | |
| 252 | S | A | -0.9012 | |
| 253 | A | A | -1.1568 | |
| 254 | R | A | -1.9556 | |
| 255 | V | A | -0.9292 | |
| 256 | V | A | 0.0000 | |
| 257 | T | A | -0.8559 | |
| 258 | S | A | -0.8929 | |
| 259 | N | A | -1.0024 | |
| 260 | I | A | 0.0000 | |
| 261 | A | A | -0.7008 | |
| 262 | L | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | N | A | 0.0000 | |
| 266 | R | A | -1.7868 | |
| 267 | N | A | -1.8567 | |
| 268 | N | A | -0.9789 | |
| 269 | I | A | -0.4413 | |
| 270 | A | A | -0.4140 | |
| 271 | A | A | -0.6235 | |
| 272 | I | A | -0.6439 | |
| 273 | G | A | -1.5098 | |
| 274 | E | A | -2.7111 | |
| 275 | D | A | -2.5452 | |
| 276 | I | A | -0.9175 | |
| 277 | S | A | -0.5805 | |
| 278 | M | A | 0.0767 | |
| 279 | T | A | 0.1310 | |
| 280 | L | A | 1.1054 | |
| 281 | I | A | 0.6581 | |
| 282 | G | A | -0.3288 | |
| 283 | F | A | -0.1192 | |
| 284 | E | A | -1.6901 | |
| 285 | H | A | -1.4697 | |
| 286 | G | A | -0.0097 | |
| 287 | L | A | 1.6542 | |
| 288 | Y | A | 2.0699 | |
| 289 | G | A | 1.4869 | |
| 290 | I | A | 2.2935 | |
| 291 | A | A | 1.0589 | |
| 292 | A | A | 0.4114 | |
| 293 | A | A | -0.0341 | |
| 294 | G | A | -0.7350 | |
| 295 | G | A | -0.9982 | |
| 296 | G | A | -1.0587 | |
| 297 | G | A | -0.9926 | |
| 298 | S | A | -0.8616 | |
| 299 | G | A | -1.0013 | |
| 300 | G | A | -1.0772 | |
| 301 | G | A | -1.0792 | |
| 302 | G | A | -1.0005 | |
| 303 | S | A | -0.9212 | |
| 304 | G | A | -1.0822 | |
| 305 | G | A | -1.1324 | |
| 306 | G | A | -0.9839 | |
| 307 | G | A | -0.6818 | |
| 308 | S | A | -0.2942 | |
| 309 | M | A | 0.5108 | |
| 310 | A | A | -0.1998 | |
| 311 | Q | A | -1.0105 | |
| 312 | V | A | -0.1882 | |
| 313 | Q | A | -0.7310 | |
| 314 | L | A | 0.0000 | |
| 315 | V | A | 0.7731 | |
| 316 | E | A | 0.0000 | |
| 317 | S | A | -0.3950 | |
| 318 | G | A | -1.0438 | |
| 319 | G | A | -0.4685 | |
| 320 | G | A | 0.2507 | |
| 321 | V | A | 1.3427 | |
| 322 | V | A | 0.0000 | |
| 323 | Q | A | -1.9413 | |
| 324 | P | A | -2.1999 | |
| 325 | G | A | -2.2993 | |
| 326 | R | A | -2.9270 | |
| 327 | S | A | -2.2602 | |
| 328 | L | A | -1.4627 | |
| 329 | R | A | -2.0773 | |
| 330 | L | A | 0.0000 | |
| 331 | S | A | -0.3692 | |
| 332 | C | A | 0.0000 | |
| 333 | S | A | -0.3817 | |
| 334 | S | A | 0.0000 | |
| 335 | S | A | -0.3840 | |
| 336 | G | A | 0.0982 | |
| 337 | F | A | 0.8021 | |
| 338 | I | A | 1.6324 | |
| 339 | F | A | 0.0000 | |
| 340 | S | A | -0.5299 | |
| 341 | D | A | -0.3279 | |
| 342 | N | A | 0.1152 | |
| 343 | Y | A | -0.0064 | |
| 344 | M | A | 0.0000 | |
| 345 | Y | A | 0.0000 | |
| 346 | W | A | 0.0000 | |
| 347 | V | A | 0.0000 | |
| 348 | R | A | 0.0000 | |
| 349 | Q | A | -0.8266 | |
| 350 | A | A | 0.0000 | |
| 351 | P | A | -1.1666 | |
| 352 | G | A | -1.4558 | |
| 353 | K | A | -2.4023 | |
| 354 | G | A | -1.6293 | |
| 355 | L | A | 0.0000 | |
| 356 | E | A | -1.0756 | |
| 357 | W | A | 0.0000 | |
| 358 | V | A | 0.0000 | |
| 359 | A | A | 0.0000 | |
| 360 | T | A | 0.0000 | |
| 361 | I | A | 0.0000 | |
| 362 | S | A | 0.0000 | |
| 363 | D | A | 0.0000 | |
| 364 | G | A | -0.8021 | |
| 365 | G | A | -0.5730 | |
| 366 | S | A | -0.5375 | |
| 367 | Y | A | -0.4394 | |
| 368 | T | A | -0.0606 | |
| 369 | Y | A | -0.4119 | |
| 370 | Y | A | -0.9046 | |
| 371 | P | A | -1.6170 | |
| 372 | D | A | -2.8506 | |
| 373 | S | A | -1.9337 | |
| 374 | V | A | 0.0000 | |
| 375 | K | A | -2.6135 | |
| 376 | G | A | -1.8047 | |
| 377 | R | A | -1.5757 | |
| 378 | F | A | 0.0000 | |
| 379 | T | A | -0.7915 | |
| 380 | I | A | 0.0000 | |
| 381 | S | A | -0.2500 | |
| 382 | R | A | -0.9569 | |
| 383 | D | A | -1.5318 | |
| 384 | N | A | -1.5645 | |
| 385 | S | A | -1.6083 | |
| 386 | K | A | -2.4718 | |
| 387 | N | A | -1.6032 | |
| 388 | T | A | -1.0766 | |
| 389 | L | A | 0.0000 | |
| 390 | F | A | -0.2558 | |
| 391 | L | A | 0.0000 | |
| 392 | Q | A | -1.1168 | |
| 393 | M | A | 0.0000 | |
| 394 | D | A | -2.1740 | |
| 395 | S | A | -1.9559 | |
| 396 | L | A | 0.0000 | |
| 397 | R | A | -2.6239 | |
| 398 | P | A | -1.9694 | |
| 399 | E | A | -2.5196 | |
| 400 | D | A | 0.0000 | |
| 401 | T | A | -0.7263 | |
| 402 | G | A | 0.0000 | |
| 403 | V | A | 0.1107 | |
| 404 | Y | A | 0.0000 | |
| 405 | F | A | 0.0000 | |
| 406 | C | A | 0.0000 | |
| 407 | A | A | 0.0000 | |
| 408 | R | A | 0.2062 | |
| 409 | G | A | 0.0000 | |
| 410 | Y | A | 0.6793 | |
| 411 | Y | A | 0.9825 | |
| 412 | R | A | 0.0725 | |
| 413 | Y | A | 0.8219 | |
| 414 | E | A | 0.4669 | |
| 415 | G | A | 0.2935 | |
| 416 | A | A | 0.0000 | |
| 417 | M | A | 0.0000 | |
| 418 | D | A | -0.0186 | |
| 419 | Y | A | 0.1519 | |
| 420 | W | A | -0.2756 | |
| 421 | G | A | 0.0000 | |
| 422 | Q | A | -1.3231 | |
| 423 | G | A | 0.0000 | |
| 424 | T | A | 0.0000 | |
| 425 | P | A | -0.0849 | |
| 426 | V | A | 0.0000 | |
| 427 | T | A | -0.0295 | |
| 428 | V | A | 0.0000 | |
| 429 | S | A | -0.9210 | |
| 430 | S | A | -1.3544 | |
| 431 | G | A | -1.2027 | |
| 432 | G | A | -1.0905 | |
| 433 | G | A | -1.1150 | |
| 434 | G | A | -1.0789 | |
| 435 | S | A | -0.9155 | |
| 436 | G | A | -1.0788 | |
| 437 | G | A | -1.2921 | |
| 438 | G | A | -1.3758 | |
| 439 | G | A | -1.3497 | |
| 440 | S | A | -1.0300 | |
| 441 | G | A | -1.1730 | |
| 442 | G | A | -1.5081 | |
| 443 | G | A | -1.4859 | |
| 444 | G | A | -1.8078 | |
| 445 | S | A | -1.3178 | |
| 446 | D | A | -2.1236 | |
| 447 | I | A | 0.0000 | |
| 448 | Q | A | -2.0513 | |
| 449 | L | A | 0.0000 | |
| 450 | T | A | -1.3653 | |
| 451 | Q | A | 0.0000 | |
| 452 | S | A | -0.7149 | |
| 453 | P | A | -0.5275 | |
| 454 | S | A | -0.7536 | |
| 455 | S | A | -0.7586 | |
| 456 | L | A | -0.5520 | |
| 457 | S | A | -0.9281 | |
| 458 | A | A | 0.0000 | |
| 459 | S | A | -0.8521 | |
| 460 | V | A | -0.2472 | |
| 461 | G | A | -0.9470 | |
| 462 | D | A | -1.7536 | |
| 463 | R | A | -2.3585 | |
| 464 | V | A | 0.0000 | |
| 465 | T | A | -0.5993 | |
| 466 | I | A | 0.0000 | |
| 467 | T | A | -0.8162 | |
| 468 | C | A | 0.0000 | |
| 469 | K | A | -2.5824 | |
| 470 | S | A | 0.0000 | |
| 471 | S | A | -1.9110 | |
| 472 | Q | A | -2.0327 | |
| 473 | S | A | -1.0404 | |
| 474 | V | A | 0.0000 | |
| 475 | L | A | -0.3621 | |
| 476 | Y | A | -0.3403 | |
| 477 | S | A | -0.6783 | |
| 478 | S | A | -1.0142 | |
| 479 | N | A | -1.4670 | |
| 480 | Q | A | -1.6315 | |
| 481 | K | A | -1.2338 | |
| 482 | N | A | -0.5623 | |
| 483 | Y | A | 0.0000 | |
| 484 | L | A | 0.0000 | |
| 485 | A | A | 0.0000 | |
| 486 | W | A | 0.0000 | |
| 487 | Y | A | 0.0000 | |
| 488 | Q | A | 0.0000 | |
| 489 | Q | A | 0.0000 | |
| 490 | K | A | -1.7872 | |
| 491 | P | A | -1.2151 | |
| 492 | G | A | -1.6791 | |
| 493 | K | A | -2.6813 | |
| 494 | A | A | -1.6453 | |
| 495 | P | A | 0.0000 | |
| 496 | K | A | -1.6193 | |
| 497 | L | A | 0.0000 | |
| 498 | L | A | 0.0000 | |
| 499 | I | A | 0.0000 | |
| 500 | Y | A | -0.1790 | |
| 501 | W | A | -0.2854 | |
| 502 | A | A | 0.0000 | |
| 503 | S | A | -0.6147 | |
| 504 | T | A | -0.5612 | |
| 505 | R | A | -1.0047 | |
| 506 | E | A | -0.9911 | |
| 507 | S | A | -0.6951 | |
| 508 | G | A | -0.7142 | |
| 509 | V | A | -0.6917 | |
| 510 | P | A | -0.5758 | |
| 511 | S | A | -0.6350 | |
| 512 | R | A | -0.7625 | |
| 513 | F | A | 0.0000 | |
| 514 | S | A | -0.5549 | |
| 515 | G | A | -0.4413 | |
| 516 | S | A | -0.6626 | |
| 517 | G | A | -1.0274 | |
| 518 | S | A | -0.9458 | |
| 519 | G | A | -1.1313 | |
| 520 | T | A | -1.6208 | |
| 521 | D | A | -2.2015 | |
| 522 | F | A | 0.0000 | |
| 523 | T | A | -0.7612 | |
| 524 | F | A | 0.0000 | |
| 525 | T | A | -0.5745 | |
| 526 | I | A | 0.0000 | |
| 527 | S | A | -1.2958 | |
| 528 | S | A | -1.2204 | |
| 529 | L | A | 0.0000 | |
| 530 | Q | A | -0.8071 | |
| 531 | P | A | -0.9279 | |
| 532 | E | A | -1.7850 | |
| 533 | D | A | 0.0000 | |
| 534 | I | A | -0.5383 | |
| 535 | A | A | 0.0000 | |
| 536 | T | A | -0.7052 | |
| 537 | Y | A | 0.0000 | |
| 538 | Y | A | 0.0000 | |
| 539 | C | A | 0.0000 | |
| 540 | H | A | 0.0000 | |
| 541 | Q | A | 0.0000 | |
| 542 | Y | A | 0.0000 | |
| 543 | L | A | 0.2075 | |
| 544 | S | A | -0.3509 | |
| 545 | S | A | -0.4778 | |
| 546 | W | A | -0.1891 | |
| 547 | T | A | -0.5809 | |
| 548 | F | A | -0.4563 | |
| 549 | G | A | 0.0000 | |
| 550 | Q | A | -1.6793 | |
| 551 | G | A | 0.0000 | |
| 552 | T | A | 0.0000 | |
| 553 | K | A | -1.1973 | |
| 554 | L | A | 0.0000 | |
| 555 | E | A | -1.2930 | |
| 556 | I | A | -0.6549 | |
| 557 | K | A | -1.5800 |
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 | -0.4802 | 8.0056 | View | CSV | PDB |
| 4.5 | -0.511 | 8.0056 | View | CSV | PDB |
| 5.0 | -0.5482 | 8.0056 | View | CSV | PDB |
| 5.5 | -0.5844 | 8.0056 | View | CSV | PDB |
| 6.0 | -0.61 | 8.0056 | View | CSV | PDB |
| 6.5 | -0.6172 | 8.0056 | View | CSV | PDB |
| 7.0 | -0.6063 | 8.0056 | View | CSV | PDB |
| 7.5 | -0.5829 | 8.0056 | View | CSV | PDB |
| 8.0 | -0.5526 | 8.0056 | View | CSV | PDB |
| 8.5 | -0.5172 | 8.0629 | View | CSV | PDB |
| 9.0 | -0.4769 | 8.119 | 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