| Chain sequence(s) |
A: HHHHHHGGSGVEMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHLKKLKESYCQRQGVPMNSLRFLFEGQRIADNHTPKELGMEEEDVIEVYQEQTGGHSTVDNSRLWQAGKEHIFHYTGRLLSGIPGLRPHFSGIGIETEVHLQVKSLEDIRLNLRQVNYTQVNGPLSPGLPHVTSSYEGSNWRYVLLPQFTQAPIDIKKLLKVPITFAIHDGEIKTITVSGTEQKWSLNFKKALVALFQTKMETSTLDLEMNTIVKDSDSTKNYWKVSEETIEGVCDVIYQVNELPEYIVKERAHYFPHLEACTSKKFYEITKTKEIDSCKKSAVYTFMKPAVKAKSCNRFKCLSRTFGSASSMTRYYACGPRSNWILQTIVNEGEIVQRPVGVKSETITTGTRQVLKLRTIQPISSEVPKPPQPRTTEKIMYEYINAGQVSRQQIGIIPKIPQSELKSGEIYKYLPRHFNPAPSSTESKQHLSATKIKAELKSYIISIIDDLSSVEELAQKEIPLRLTTFIRGMTLLKVEDIKSLYTDLKSTVYSPAHSNQEKISMFHNIFFDAVMVSGTTPAVLFLKDMIKSKEIPTYQATYLLMLLPHHIITPTKEVFTSLLEIIQSEIVISNTILYNTAILSMSNLVEKTCLDKSRQVSYPTAVFGQFCDAQSEIVTEKWIPYLTKAVQTAPTADRRNAIIMALGALKHKDIIPALLPLVEGHGPIEQGSGVAFPNISRTLSIYAIGNVRVHHPELVLPIILSVYSNPAENTQLRIAAFNMLVNMNPPMNIIQKIAAMTWSEKNTEVLKKTYTGFYTLSRSVDISNLEDTSPESTLAKKTQLVVPLMRKTSGVLQGGSGVE
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 globular. Max score is recommended for pH analysis. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:14:02)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/652150a7c623f9c/tmp/folded.pdb (00:14:02)
[INFO] Main: Simulation completed successfully. (00:21:55)
|
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 | H | A | -1.7101 | |
| 2 | H | A | -2.1760 | |
| 3 | H | A | -2.4515 | |
| 4 | H | A | -2.5351 | |
| 5 | H | A | -2.3505 | |
| 6 | H | A | -2.0842 | |
| 7 | G | A | -1.6813 | |
| 8 | G | A | -0.9600 | |
| 9 | S | A | -0.6383 | |
| 10 | G | A | -0.2831 | |
| 11 | V | A | 0.8115 | |
| 12 | E | A | -0.8957 | |
| 13 | M | A | -0.2036 | |
| 14 | S | A | -1.4069 | |
| 15 | D | A | -2.9278 | |
| 16 | Q | A | -3.0910 | |
| 17 | E | A | -3.4410 | |
| 18 | A | A | -2.3421 | |
| 19 | K | A | -2.5480 | |
| 20 | P | A | -1.6558 | |
| 21 | S | A | -1.5931 | |
| 22 | T | A | -1.6545 | |
| 23 | E | A | -2.4562 | |
| 24 | D | A | -2.4374 | |
| 25 | L | A | -0.7644 | |
| 26 | G | A | -2.2237 | |
| 27 | D | A | -3.5382 | |
| 28 | K | A | -4.0190 | |
| 29 | K | A | -4.4498 | |
| 30 | E | A | -3.7296 | |
| 31 | G | A | -2.5047 | |
| 32 | E | A | -2.6045 | |
| 33 | Y | A | -1.1920 | |
| 34 | I | A | 0.0000 | |
| 35 | K | A | -3.0905 | |
| 36 | L | A | 0.0000 | |
| 37 | K | A | -2.2336 | |
| 38 | V | A | 0.0000 | |
| 39 | I | A | -1.3172 | |
| 40 | G | A | 0.0000 | |
| 41 | Q | A | -2.6352 | |
| 42 | D | A | -2.6640 | |
| 43 | S | A | -1.9357 | |
| 44 | S | A | -1.7508 | |
| 45 | E | A | -2.3096 | |
| 46 | I | A | -1.1509 | |
| 47 | H | A | -2.0007 | |
| 48 | F | A | -1.7182 | |
| 49 | K | A | -2.5600 | |
| 50 | V | A | 0.0000 | |
| 51 | K | A | -1.5886 | |
| 52 | M | A | 0.0000 | |
| 53 | T | A | -1.5492 | |
| 54 | T | A | -1.3666 | |
| 55 | H | A | -2.5847 | |
| 56 | L | A | 0.0000 | |
| 57 | K | A | -3.0051 | |
| 58 | K | A | -3.1824 | |
| 59 | L | A | 0.0000 | |
| 60 | K | A | 0.0000 | |
| 61 | E | A | -3.4631 | |
| 62 | S | A | -2.5053 | |
| 63 | Y | A | 0.0000 | |
| 64 | C | A | 0.0000 | |
| 65 | Q | A | -2.8799 | |
| 66 | R | A | -3.0310 | |
| 67 | Q | A | -2.2144 | |
| 68 | G | A | -1.6349 | |
| 69 | V | A | -1.2351 | |
| 70 | P | A | -1.0318 | |
| 71 | M | A | -1.5745 | |
| 72 | N | A | -2.0608 | |
| 73 | S | A | -1.7203 | |
| 74 | L | A | 0.0000 | |
| 75 | R | A | -2.5866 | |
| 76 | F | A | 0.0000 | |
| 77 | L | A | -1.9959 | |
| 78 | F | A | 0.0000 | |
| 79 | E | A | -2.6593 | |
| 80 | G | A | -2.4687 | |
| 81 | Q | A | -2.9876 | |
| 82 | R | A | -3.1470 | |
| 83 | I | A | 0.0000 | |
| 84 | A | A | -1.7684 | |
| 85 | D | A | -2.6003 | |
| 86 | N | A | -2.5389 | |
| 87 | H | A | -2.2872 | |
| 88 | T | A | -2.2083 | |
| 89 | P | A | 0.0000 | |
| 90 | K | A | -3.1465 | |
| 91 | E | A | -2.9381 | |
| 92 | L | A | -2.0118 | |
| 93 | G | A | -2.0010 | |
| 94 | M | A | 0.0000 | |
| 95 | E | A | -3.4850 | |
| 96 | E | A | -3.8929 | |
| 97 | E | A | -3.8151 | |
| 98 | D | A | -2.6518 | |
| 99 | V | A | -1.2608 | |
| 100 | I | A | 0.0000 | |
| 101 | E | A | -1.8709 | |
| 102 | V | A | 0.0000 | |
| 103 | Y | A | -1.8876 | |
| 104 | Q | A | -2.6103 | |
| 105 | E | A | -2.7832 | |
| 106 | Q | A | -2.6229 | |
| 107 | T | A | -1.6947 | |
| 108 | G | A | -1.3227 | |
| 109 | G | A | -1.3345 | |
| 110 | H | A | -1.5951 | |
| 111 | S | A | -0.9109 | |
| 112 | T | A | -1.0620 | |
| 113 | V | A | -0.8400 | |
| 114 | D | A | -1.7458 | |
| 115 | N | A | -1.5781 | |
| 116 | S | A | -1.1298 | |
| 117 | R | A | -1.7393 | |
| 118 | L | A | -0.8060 | |
| 119 | W | A | 0.0000 | |
| 120 | Q | A | -1.1522 | |
| 121 | A | A | -0.9682 | |
| 122 | G | A | -1.2586 | |
| 123 | K | A | -0.9910 | |
| 124 | E | A | 0.0000 | |
| 125 | H | A | 0.0000 | |
| 126 | I | A | 0.0000 | |
| 127 | F | A | 0.0000 | |
| 128 | H | A | -1.3446 | |
| 129 | Y | A | 0.0000 | |
| 130 | T | A | -0.4130 | |
| 131 | G | A | 0.0000 | |
| 132 | R | A | 0.1182 | |
| 133 | L | A | 0.6043 | |
| 134 | L | A | 0.0000 | |
| 135 | S | A | 0.2001 | |
| 136 | G | A | -0.1173 | |
| 137 | I | A | 0.1124 | |
| 138 | P | A | -0.3747 | |
| 139 | G | A | -0.5068 | |
| 140 | L | A | -0.0415 | |
| 141 | R | A | -1.4961 | |
| 142 | P | A | -1.0095 | |
| 143 | H | A | -1.3839 | |
| 144 | F | A | 0.0000 | |
| 145 | S | A | -0.8072 | |
| 146 | G | A | -0.2764 | |
| 147 | I | A | 0.2246 | |
| 148 | G | A | 0.0000 | |
| 149 | I | A | 0.1024 | |
| 150 | E | A | -0.9292 | |
| 151 | T | A | 0.0000 | |
| 152 | E | A | -1.6813 | |
| 153 | V | A | 0.0000 | |
| 154 | H | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | Q | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | K | A | -1.9183 | |
| 159 | S | A | -1.4206 | |
| 160 | L | A | -1.4782 | |
| 161 | E | A | -2.2989 | |
| 162 | D | A | -1.5578 | |
| 163 | I | A | 0.0000 | |
| 164 | R | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | N | A | -0.9984 | |
| 167 | L | A | 0.0000 | |
| 168 | R | A | -3.2597 | |
| 169 | Q | A | -2.8197 | |
| 170 | V | A | 0.0000 | |
| 171 | N | A | -1.3804 | |
| 172 | Y | A | -0.3992 | |
| 173 | T | A | 0.0000 | |
| 174 | Q | A | -1.2106 | |
| 175 | V | A | 0.0000 | |
| 176 | N | A | -1.9001 | |
| 177 | G | A | -1.5583 | |
| 178 | P | A | -1.1044 | |
| 179 | L | A | 0.0000 | |
| 180 | S | A | 0.0986 | |
| 181 | P | A | 0.0185 | |
| 182 | G | A | 0.2910 | |
| 183 | L | A | -0.0161 | |
| 184 | P | A | -0.5720 | |
| 185 | H | A | -0.9875 | |
| 186 | V | A | -0.4661 | |
| 187 | T | A | -0.4140 | |
| 188 | S | A | -0.2876 | |
| 189 | S | A | -0.1343 | |
| 190 | Y | A | 0.4634 | |
| 191 | E | A | -0.6654 | |
| 192 | G | A | 0.0000 | |
| 193 | S | A | -0.4626 | |
| 194 | N | A | -0.3897 | |
| 195 | W | A | 0.0000 | |
| 196 | R | A | -0.2320 | |
| 197 | Y | A | 0.3644 | |
| 198 | V | A | 0.0000 | |
| 199 | L | A | 1.3887 | |
| 200 | L | A | 0.5358 | |
| 201 | P | A | -0.3875 | |
| 202 | Q | A | -0.9165 | |
| 203 | F | A | -0.5714 | |
| 204 | T | A | -0.9135 | |
| 205 | Q | A | -1.1609 | |
| 206 | A | A | 0.0000 | |
| 207 | P | A | -0.1524 | |
| 208 | I | A | 0.5547 | |
| 209 | D | A | -1.3706 | |
| 210 | I | A | -0.7017 | |
| 211 | K | A | -1.7866 | |
| 212 | K | A | -2.3210 | |
| 213 | L | A | -1.2174 | |
| 214 | L | A | 0.0000 | |
| 215 | K | A | -2.8095 | |
| 216 | V | A | -1.2647 | |
| 217 | P | A | 0.0000 | |
| 218 | I | A | 0.0000 | |
| 219 | T | A | 0.0000 | |
| 220 | F | A | 0.0000 | |
| 221 | A | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | H | A | -2.1405 | |
| 224 | D | A | -2.5306 | |
| 225 | G | A | 0.0000 | |
| 226 | E | A | -1.8553 | |
| 227 | I | A | 0.0000 | |
| 228 | K | A | -2.9852 | |
| 229 | T | A | -2.1852 | |
| 230 | I | A | 0.0000 | |
| 231 | T | A | -1.0430 | |
| 232 | V | A | 0.0000 | |
| 233 | S | A | 0.0000 | |
| 234 | G | A | -1.5598 | |
| 235 | T | A | -1.0757 | |
| 236 | E | A | -1.0319 | |
| 237 | Q | A | -0.8197 | |
| 238 | K | A | -0.1363 | |
| 239 | W | A | 0.5348 | |
| 240 | S | A | 0.0000 | |
| 241 | L | A | 0.0000 | |
| 242 | N | A | 0.1074 | |
| 243 | F | A | 0.3380 | |
| 244 | K | A | 0.0000 | |
| 245 | K | A | 0.0000 | |
| 246 | A | A | 0.0000 | |
| 247 | L | A | 0.0000 | |
| 248 | V | A | 0.0000 | |
| 249 | A | A | -0.0337 | |
| 250 | L | A | 0.0000 | |
| 251 | F | A | 0.0000 | |
| 252 | Q | A | 0.0000 | |
| 253 | T | A | 0.0000 | |
| 254 | K | A | -1.0691 | |
| 255 | M | A | -0.6702 | |
| 256 | E | A | -0.8672 | |
| 257 | T | A | -0.6889 | |
| 258 | S | A | -0.4860 | |
| 259 | T | A | 0.2067 | |
| 260 | L | A | 0.6426 | |
| 261 | D | A | -0.8995 | |
| 262 | L | A | 0.0102 | |
| 263 | E | A | -1.5105 | |
| 264 | M | A | -0.5756 | |
| 265 | N | A | -0.7928 | |
| 266 | T | A | 0.3190 | |
| 267 | I | A | 1.5270 | |
| 268 | V | A | 0.5664 | |
| 269 | K | A | -1.6539 | |
| 270 | D | A | -2.7057 | |
| 271 | S | A | -2.5204 | |
| 272 | D | A | -2.7855 | |
| 273 | S | A | -1.7463 | |
| 274 | T | A | -1.6192 | |
| 275 | K | A | -1.6576 | |
| 276 | N | A | -1.4039 | |
| 277 | Y | A | -0.3667 | |
| 278 | W | A | 0.0000 | |
| 279 | K | A | -1.2760 | |
| 280 | V | A | -0.6078 | |
| 281 | S | A | -1.0441 | |
| 282 | E | A | 0.0000 | |
| 283 | E | A | -1.4398 | |
| 284 | T | A | 0.0000 | |
| 285 | I | A | 0.0357 | |
| 286 | E | A | -0.2780 | |
| 287 | G | A | 0.0000 | |
| 288 | V | A | -1.2823 | |
| 289 | C | A | 0.0000 | |
| 290 | D | A | -1.7171 | |
| 291 | V | A | 0.0000 | |
| 292 | I | A | -0.5278 | |
| 293 | Y | A | 0.0000 | |
| 294 | Q | A | -0.8777 | |
| 295 | V | A | 0.0000 | |
| 296 | N | A | -1.5847 | |
| 297 | E | A | -2.5742 | |
| 298 | L | A | 0.0000 | |
| 299 | P | A | -1.5269 | |
| 300 | E | A | -2.5882 | |
| 301 | Y | A | -0.5979 | |
| 302 | I | A | -1.0680 | |
| 303 | V | A | 0.0000 | |
| 304 | K | A | -2.8521 | |
| 305 | E | A | -2.9996 | |
| 306 | R | A | -2.4935 | |
| 307 | A | A | -1.9610 | |
| 308 | H | A | -1.8003 | |
| 309 | Y | A | -1.1133 | |
| 310 | F | A | 0.0000 | |
| 311 | P | A | -0.8801 | |
| 312 | H | A | -0.9267 | |
| 313 | L | A | -1.1086 | |
| 314 | E | A | -1.9046 | |
| 315 | A | A | -0.9727 | |
| 316 | C | A | 0.0000 | |
| 317 | T | A | -1.1986 | |
| 318 | S | A | -1.3330 | |
| 319 | K | A | -2.7957 | |
| 320 | K | A | -2.7498 | |
| 321 | F | A | 0.0000 | |
| 322 | Y | A | 0.0000 | |
| 323 | E | A | -0.9767 | |
| 324 | I | A | 0.0000 | |
| 325 | T | A | -0.2650 | |
| 326 | K | A | 0.0000 | |
| 327 | T | A | -0.5872 | |
| 328 | K | A | -1.0637 | |
| 329 | E | A | -1.7144 | |
| 330 | I | A | 0.0000 | |
| 331 | D | A | -1.8710 | |
| 332 | S | A | -1.7296 | |
| 333 | C | A | 0.0000 | |
| 334 | K | A | -2.8514 | |
| 335 | K | A | -2.6293 | |
| 336 | S | A | -1.1880 | |
| 337 | A | A | 0.2278 | |
| 338 | V | A | 0.9394 | |
| 339 | Y | A | 1.9853 | |
| 340 | T | A | 1.2676 | |
| 341 | F | A | 1.1757 | |
| 342 | M | A | 0.3181 | |
| 343 | K | A | -0.0552 | |
| 344 | P | A | -0.2838 | |
| 345 | A | A | -0.2498 | |
| 346 | V | A | -0.3408 | |
| 347 | K | A | -1.9951 | |
| 348 | A | A | -1.5454 | |
| 349 | K | A | -2.2071 | |
| 350 | S | A | -1.5327 | |
| 351 | C | A | -1.6822 | |
| 352 | N | A | -2.3459 | |
| 353 | R | A | -1.9317 | |
| 354 | F | A | 0.0000 | |
| 355 | K | A | -1.8916 | |
| 356 | C | A | 0.0000 | |
| 357 | L | A | -0.8235 | |
| 358 | S | A | -1.3445 | |
| 359 | R | A | -2.1298 | |
| 360 | T | A | -0.8195 | |
| 361 | F | A | 0.0979 | |
| 362 | G | A | -0.3373 | |
| 363 | S | A | -0.5940 | |
| 364 | A | A | -0.2793 | |
| 365 | S | A | -0.4748 | |
| 366 | S | A | 0.0000 | |
| 367 | M | A | -0.1385 | |
| 368 | T | A | 0.0000 | |
| 369 | R | A | -0.3239 | |
| 370 | Y | A | 0.0000 | |
| 371 | Y | A | 0.0000 | |
| 372 | A | A | 0.0000 | |
| 373 | C | A | 0.0000 | |
| 374 | G | A | 0.0000 | |
| 375 | P | A | -1.5643 | |
| 376 | R | A | -1.7462 | |
| 377 | S | A | -1.4429 | |
| 378 | N | A | -1.5902 | |
| 379 | W | A | 0.0000 | |
| 380 | I | A | 0.0099 | |
| 381 | L | A | 0.0000 | |
| 382 | Q | A | 0.0000 | |
| 383 | T | A | 0.0000 | |
| 384 | I | A | 0.0000 | |
| 385 | V | A | 0.0000 | |
| 386 | N | A | 0.0000 | |
| 387 | E | A | -0.4093 | |
| 388 | G | A | -0.2282 | |
| 389 | E | A | -0.1120 | |
| 390 | I | A | 0.5893 | |
| 391 | V | A | 0.2100 | |
| 392 | Q | A | 0.0300 | |
| 393 | R | A | -0.4996 | |
| 394 | P | A | 0.3235 | |
| 395 | V | A | 1.1324 | |
| 396 | G | A | 0.4088 | |
| 397 | V | A | 0.6784 | |
| 398 | K | A | -1.1821 | |
| 399 | S | A | -1.0719 | |
| 400 | E | A | -1.4805 | |
| 401 | T | A | -0.3787 | |
| 402 | I | A | 0.3706 | |
| 403 | T | A | 0.0000 | |
| 404 | T | A | 0.4426 | |
| 405 | G | A | 0.0000 | |
| 406 | T | A | 0.0091 | |
| 407 | R | A | -0.3452 | |
| 408 | Q | A | 0.0000 | |
| 409 | V | A | 0.0000 | |
| 410 | L | A | 0.0000 | |
| 411 | K | A | -1.1295 | |
| 412 | L | A | 0.0000 | |
| 413 | R | A | -1.1779 | |
| 414 | T | A | -0.3780 | |
| 415 | I | A | 0.2790 | |
| 416 | Q | A | -0.4090 | |
| 417 | P | A | -0.5378 | |
| 418 | I | A | -0.6496 | |
| 419 | S | A | -0.6766 | |
| 420 | S | A | -0.9027 | |
| 421 | E | A | -1.7780 | |
| 422 | V | A | -1.0235 | |
| 423 | P | A | -1.0943 | |
| 424 | K | A | -1.5489 | |
| 425 | P | A | 0.0000 | |
| 426 | P | A | -1.3660 | |
| 427 | Q | A | -1.9592 | |
| 428 | P | A | -1.7244 | |
| 429 | R | A | -1.5533 | |
| 430 | T | A | -1.1921 | |
| 431 | T | A | -1.7648 | |
| 432 | E | A | -2.8989 | |
| 433 | K | A | -2.3258 | |
| 434 | I | A | 0.0000 | |
| 435 | M | A | -0.5282 | |
| 436 | Y | A | 0.4704 | |
| 437 | E | A | 0.5742 | |
| 438 | Y | A | 1.6625 | |
| 439 | I | A | 1.5307 | |
| 440 | N | A | -0.2127 | |
| 441 | A | A | -0.1064 | |
| 442 | G | A | -0.6004 | |
| 443 | Q | A | -1.1059 | |
| 444 | V | A | 0.1173 | |
| 445 | S | A | -1.2131 | |
| 446 | R | A | -2.1053 | |
| 447 | Q | A | -1.6069 | |
| 448 | Q | A | -0.5920 | |
| 449 | I | A | 0.4631 | |
| 450 | G | A | -0.1156 | |
| 451 | I | A | 1.5171 | |
| 452 | I | A | 1.4269 | |
| 453 | P | A | 0.1908 | |
| 454 | K | A | -1.1301 | |
| 455 | I | A | -0.8110 | |
| 456 | P | A | -1.2471 | |
| 457 | Q | A | -1.8115 | |
| 458 | S | A | -1.7483 | |
| 459 | E | A | -2.2275 | |
| 460 | L | A | 0.0000 | |
| 461 | K | A | -2.1263 | |
| 462 | S | A | -1.5548 | |
| 463 | G | A | 0.0000 | |
| 464 | E | A | -1.4678 | |
| 465 | I | A | -0.7004 | |
| 466 | Y | A | 0.0000 | |
| 467 | K | A | -1.2359 | |
| 468 | Y | A | 0.3692 | |
| 469 | L | A | 0.0000 | |
| 470 | P | A | -0.4837 | |
| 471 | R | A | -0.8725 | |
| 472 | H | A | -0.9918 | |
| 473 | F | A | -0.4341 | |
| 474 | N | A | -1.2654 | |
| 475 | P | A | -1.0708 | |
| 476 | A | A | -0.5578 | |
| 477 | P | A | -0.6712 | |
| 478 | S | A | -0.8631 | |
| 479 | S | A | -1.0752 | |
| 480 | T | A | -1.4852 | |
| 481 | E | A | -2.6836 | |
| 482 | S | A | -2.4609 | |
| 483 | K | A | -2.9416 | |
| 484 | Q | A | -2.6196 | |
| 485 | H | A | -1.8853 | |
| 486 | L | A | -0.6606 | |
| 487 | S | A | -0.6580 | |
| 488 | A | A | -0.9427 | |
| 489 | T | A | -1.0900 | |
| 490 | K | A | -2.1783 | |
| 491 | I | A | 0.0000 | |
| 492 | K | A | -1.5999 | |
| 493 | A | A | -1.8896 | |
| 494 | E | A | -2.3975 | |
| 495 | L | A | 0.0000 | |
| 496 | K | A | -1.4576 | |
| 497 | S | A | -0.7667 | |
| 498 | Y | A | -0.2485 | |
| 499 | I | A | 0.0000 | |
| 500 | I | A | -0.1226 | |
| 501 | S | A | -0.5615 | |
| 502 | I | A | 0.0000 | |
| 503 | I | A | 0.0000 | |
| 504 | D | A | -1.9269 | |
| 505 | D | A | -1.2957 | |
| 506 | L | A | -0.2149 | |
| 507 | S | A | -0.7674 | |
| 508 | S | A | -0.4085 | |
| 509 | V | A | 0.6724 | |
| 510 | E | A | -1.7806 | |
| 511 | E | A | -2.4213 | |
| 512 | L | A | -0.7167 | |
| 513 | A | A | -1.4650 | |
| 514 | Q | A | -2.4172 | |
| 515 | K | A | -1.7296 | |
| 516 | E | A | -1.5608 | |
| 517 | I | A | 0.0000 | |
| 518 | P | A | 0.0494 | |
| 519 | L | A | 0.9710 | |
| 520 | R | A | 0.2007 | |
| 521 | L | A | 0.4508 | |
| 522 | T | A | 0.6124 | |
| 523 | T | A | 0.1992 | |
| 524 | F | A | 0.0000 | |
| 525 | I | A | 0.3122 | |
| 526 | R | A | -0.4231 | |
| 527 | G | A | -0.5519 | |
| 528 | M | A | 0.0000 | |
| 529 | T | A | 0.0000 | |
| 530 | L | A | -0.5704 | |
| 531 | L | A | 0.0000 | |
| 532 | K | A | -1.9963 | |
| 533 | V | A | -1.6274 | |
| 534 | E | A | -2.3255 | |
| 535 | D | A | -1.5843 | |
| 536 | I | A | 0.0000 | |
| 537 | K | A | -1.6837 | |
| 538 | S | A | -1.5109 | |
| 539 | L | A | 0.0000 | |
| 540 | Y | A | 0.0000 | |
| 541 | T | A | -1.2281 | |
| 542 | D | A | -2.0387 | |
| 543 | L | A | 0.0000 | |
| 544 | K | A | -0.8205 | |
| 545 | S | A | -0.7703 | |
| 546 | T | A | -0.6498 | |
| 547 | V | A | 0.0000 | |
| 548 | Y | A | 0.0365 | |
| 549 | S | A | -0.2674 | |
| 550 | P | A | -0.4701 | |
| 551 | A | A | -0.4782 | |
| 552 | H | A | -1.2773 | |
| 553 | S | A | -1.2149 | |
| 554 | N | A | -1.9623 | |
| 555 | Q | A | -2.3634 | |
| 556 | E | A | -2.6727 | |
| 557 | K | A | -1.9327 | |
| 558 | I | A | -1.1612 | |
| 559 | S | A | -1.2358 | |
| 560 | M | A | -1.0133 | |
| 561 | F | A | 0.0000 | |
| 562 | H | A | -0.8027 | |
| 563 | N | A | -0.8989 | |
| 564 | I | A | -0.3037 | |
| 565 | F | A | 0.0000 | |
| 566 | F | A | 0.0000 | |
| 567 | D | A | -0.4561 | |
| 568 | A | A | 0.0000 | |
| 569 | V | A | 0.0000 | |
| 570 | M | A | 0.0000 | |
| 571 | V | A | 0.0091 | |
| 572 | S | A | 0.0000 | |
| 573 | G | A | 0.0000 | |
| 574 | T | A | 0.0000 | |
| 575 | T | A | 0.0000 | |
| 576 | P | A | 0.0000 | |
| 577 | A | A | 0.0000 | |
| 578 | V | A | 0.0000 | |
| 579 | L | A | -0.5151 | |
| 580 | F | A | 0.0000 | |
| 581 | L | A | 0.0000 | |
| 582 | K | A | -0.8966 | |
| 583 | D | A | -1.6380 | |
| 584 | M | A | -1.3409 | |
| 585 | I | A | 0.0000 | |
| 586 | K | A | -2.1172 | |
| 587 | S | A | -1.7338 | |
| 588 | K | A | -2.3510 | |
| 589 | E | A | -1.6661 | |
| 590 | I | A | 0.0000 | |
| 591 | P | A | -0.2399 | |
| 592 | T | A | 0.5232 | |
| 593 | Y | A | 1.7000 | |
| 594 | Q | A | 0.0000 | |
| 595 | A | A | 0.0000 | |
| 596 | T | A | 1.2753 | |
| 597 | Y | A | 1.2106 | |
| 598 | L | A | 0.0000 | |
| 599 | L | A | 0.0000 | |
| 600 | M | A | 0.8468 | |
| 601 | L | A | 0.4194 | |
| 602 | L | A | 0.0000 | |
| 603 | P | A | 0.0000 | |
| 604 | H | A | -0.9537 | |
| 605 | H | A | -0.5211 | |
| 606 | I | A | 0.0000 | |
| 607 | I | A | -0.0510 | |
| 608 | T | A | 0.0000 | |
| 609 | P | A | 0.0000 | |
| 610 | T | A | 0.0000 | |
| 611 | K | A | -2.0702 | |
| 612 | E | A | -1.2950 | |
| 613 | V | A | 0.0000 | |
| 614 | F | A | 0.0000 | |
| 615 | T | A | -0.8358 | |
| 616 | S | A | 0.0000 | |
| 617 | L | A | 0.0000 | |
| 618 | L | A | -0.7317 | |
| 619 | E | A | -1.7630 | |
| 620 | I | A | 0.0000 | |
| 621 | I | A | 0.0000 | |
| 622 | Q | A | -1.7241 | |
| 623 | S | A | 0.0000 | |
| 624 | E | A | -2.0516 | |
| 625 | I | A | -1.2374 | |
| 626 | V | A | 0.0000 | |
| 627 | I | A | -0.1429 | |
| 628 | S | A | -0.2736 | |
| 629 | N | A | 0.0404 | |
| 630 | T | A | 0.5257 | |
| 631 | I | A | 1.8288 | |
| 632 | L | A | 0.0000 | |
| 633 | Y | A | 0.0000 | |
| 634 | N | A | 0.4276 | |
| 635 | T | A | 0.8585 | |
| 636 | A | A | 0.0000 | |
| 637 | I | A | 0.0000 | |
| 638 | L | A | 0.3432 | |
| 639 | S | A | 0.0000 | |
| 640 | M | A | 0.0000 | |
| 641 | S | A | 0.0000 | |
| 642 | N | A | -0.4709 | |
| 643 | L | A | 0.0000 | |
| 644 | V | A | 0.0000 | |
| 645 | E | A | 0.0000 | |
| 646 | K | A | -1.3963 | |
| 647 | T | A | 0.0000 | |
| 648 | C | A | 0.0000 | |
| 649 | L | A | 0.0000 | |
| 650 | D | A | -1.8128 | |
| 651 | K | A | -2.4053 | |
| 652 | S | A | -1.9876 | |
| 653 | R | A | -2.0140 | |
| 654 | Q | A | -2.0217 | |
| 655 | V | A | -1.0570 | |
| 656 | S | A | -0.8046 | |
| 657 | Y | A | 0.0000 | |
| 658 | P | A | 0.0000 | |
| 659 | T | A | 0.0000 | |
| 660 | A | A | -0.2201 | |
| 661 | V | A | -0.1079 | |
| 662 | F | A | 0.0000 | |
| 663 | G | A | -0.9911 | |
| 664 | Q | A | -1.2503 | |
| 665 | F | A | -0.9629 | |
| 666 | C | A | 0.0000 | |
| 667 | D | A | -1.6714 | |
| 668 | A | A | -1.4281 | |
| 669 | Q | A | -2.0744 | |
| 670 | S | A | -2.1879 | |
| 671 | E | A | -3.1523 | |
| 672 | I | A | -2.0302 | |
| 673 | V | A | 0.0000 | |
| 674 | T | A | -2.2901 | |
| 675 | E | A | -2.9627 | |
| 676 | K | A | -1.9699 | |
| 677 | W | A | 0.0000 | |
| 678 | I | A | 0.0000 | |
| 679 | P | A | -1.3664 | |
| 680 | Y | A | -0.9127 | |
| 681 | L | A | 0.0000 | |
| 682 | T | A | -1.2852 | |
| 683 | K | A | -2.0828 | |
| 684 | A | A | 0.0000 | |
| 685 | V | A | 0.0000 | |
| 686 | Q | A | -1.6934 | |
| 687 | T | A | -1.1852 | |
| 688 | A | A | 0.0000 | |
| 689 | P | A | -0.9367 | |
| 690 | T | A | -1.0041 | |
| 691 | A | A | -0.6854 | |
| 692 | D | A | -1.7323 | |
| 693 | R | A | 0.0000 | |
| 694 | R | A | -1.0891 | |
| 695 | N | A | -0.5367 | |
| 696 | A | A | -0.2326 | |
| 697 | I | A | 0.0000 | |
| 698 | I | A | 0.0000 | |
| 699 | M | A | 0.4241 | |
| 700 | A | A | 0.0000 | |
| 701 | L | A | 0.0000 | |
| 702 | G | A | 0.0000 | |
| 703 | A | A | -0.0944 | |
| 704 | L | A | 0.0000 | |
| 705 | K | A | -0.8426 | |
| 706 | H | A | 0.0000 | |
| 707 | K | A | -1.5369 | |
| 708 | D | A | -1.7792 | |
| 709 | I | A | 0.0000 | |
| 710 | I | A | 0.0000 | |
| 711 | P | A | -0.5808 | |
| 712 | A | A | 0.0000 | |
| 713 | L | A | 0.0000 | |
| 714 | L | A | -0.3184 | |
| 715 | P | A | -1.0364 | |
| 716 | L | A | 0.0000 | |
| 717 | V | A | 0.0000 | |
| 718 | E | A | -2.1758 | |
| 719 | G | A | -1.5368 | |
| 720 | H | A | -1.3864 | |
| 721 | G | A | 0.0000 | |
| 722 | P | A | -0.7076 | |
| 723 | I | A | -0.0400 | |
| 724 | E | A | -1.7256 | |
| 725 | Q | A | -1.8406 | |
| 726 | G | A | -1.2625 | |
| 727 | S | A | -0.6512 | |
| 728 | G | A | -0.1201 | |
| 729 | V | A | 1.2534 | |
| 730 | A | A | 0.4909 | |
| 731 | F | A | 0.0000 | |
| 732 | P | A | 0.2664 | |
| 733 | N | A | -0.8154 | |
| 734 | I | A | 0.9237 | |
| 735 | S | A | 0.0000 | |
| 736 | R | A | -0.6706 | |
| 737 | T | A | 0.0000 | |
| 738 | L | A | 0.6286 | |
| 739 | S | A | 0.0000 | |
| 740 | I | A | 0.0000 | |
| 741 | Y | A | 0.3820 | |
| 742 | A | A | 0.0000 | |
| 743 | I | A | 0.0000 | |
| 744 | G | A | 0.0000 | |
| 745 | N | A | -0.4909 | |
| 746 | V | A | 0.0000 | |
| 747 | R | A | -0.7446 | |
| 748 | V | A | 0.1704 | |
| 749 | H | A | -0.6992 | |
| 750 | H | A | -0.8763 | |
| 751 | P | A | -1.0405 | |
| 752 | E | A | -1.7030 | |
| 753 | L | A | -0.4938 | |
| 754 | V | A | 0.0000 | |
| 755 | L | A | -0.2740 | |
| 756 | P | A | -0.2232 | |
| 757 | I | A | 0.1826 | |
| 758 | I | A | 0.0000 | |
| 759 | L | A | -0.0529 | |
| 760 | S | A | -0.3358 | |
| 761 | V | A | 0.0000 | |
| 762 | Y | A | 0.0000 | |
| 763 | S | A | -0.5700 | |
| 764 | N | A | -1.0127 | |
| 765 | P | A | -1.1364 | |
| 766 | A | A | -0.5864 | |
| 767 | E | A | -1.2170 | |
| 768 | N | A | -1.4220 | |
| 769 | T | A | -1.2518 | |
| 770 | Q | A | -1.2146 | |
| 771 | L | A | 0.0000 | |
| 772 | R | A | 0.0000 | |
| 773 | I | A | -0.8906 | |
| 774 | A | A | 0.0000 | |
| 775 | A | A | 0.0000 | |
| 776 | F | A | 0.0000 | |
| 777 | N | A | -1.0916 | |
| 778 | M | A | 0.0000 | |
| 779 | L | A | 0.0000 | |
| 780 | V | A | -0.8906 | |
| 781 | N | A | -1.7415 | |
| 782 | M | A | -0.7112 | |
| 783 | N | A | -0.9596 | |
| 784 | P | A | 0.0000 | |
| 785 | P | A | -0.5239 | |
| 786 | M | A | -0.6719 | |
| 787 | N | A | -1.6481 | |
| 788 | I | A | -0.9118 | |
| 789 | I | A | 0.0000 | |
| 790 | Q | A | -1.1871 | |
| 791 | K | A | -1.4505 | |
| 792 | I | A | 0.0000 | |
| 793 | A | A | 0.0000 | |
| 794 | A | A | 0.1402 | |
| 795 | M | A | -0.0975 | |
| 796 | T | A | 0.0000 | |
| 797 | W | A | 0.7104 | |
| 798 | S | A | -0.1291 | |
| 799 | E | A | 0.0000 | |
| 800 | K | A | -1.9258 | |
| 801 | N | A | -1.8076 | |
| 802 | T | A | -1.7159 | |
| 803 | E | A | -2.3390 | |
| 804 | V | A | 0.0000 | |
| 805 | L | A | 0.0000 | |
| 806 | K | A | -2.2145 | |
| 807 | K | A | -1.7694 | |
| 808 | T | A | 0.0000 | |
| 809 | Y | A | 0.0000 | |
| 810 | T | A | -0.6668 | |
| 811 | G | A | -0.4966 | |
| 812 | F | A | 0.0000 | |
| 813 | Y | A | -0.6926 | |
| 814 | T | A | -0.5338 | |
| 815 | L | A | -0.7233 | |
| 816 | S | A | -0.7084 | |
| 817 | R | A | -1.9205 | |
| 818 | S | A | -1.3296 | |
| 819 | V | A | -1.2930 | |
| 820 | D | A | -1.3825 | |
| 821 | I | A | 0.4512 | |
| 822 | S | A | -0.0259 | |
| 823 | N | A | -1.1388 | |
| 824 | L | A | 0.0395 | |
| 825 | E | A | -1.6174 | |
| 826 | D | A | -1.6721 | |
| 827 | T | A | -1.1709 | |
| 828 | S | A | -1.2507 | |
| 829 | P | A | -1.5131 | |
| 830 | E | A | -2.2630 | |
| 831 | S | A | 0.0000 | |
| 832 | T | A | -0.8871 | |
| 833 | L | A | 0.0000 | |
| 834 | A | A | 0.0000 | |
| 835 | K | A | -0.3057 | |
| 836 | K | A | -0.4686 | |
| 837 | T | A | 0.0000 | |
| 838 | Q | A | 0.3966 | |
| 839 | L | A | 1.3599 | |
| 840 | V | A | 0.0000 | |
| 841 | V | A | 0.0000 | |
| 842 | P | A | 0.4758 | |
| 843 | L | A | 1.3035 | |
| 844 | M | A | 0.0000 | |
| 845 | R | A | -0.7390 | |
| 846 | K | A | -1.7841 | |
| 847 | T | A | 0.0000 | |
| 848 | S | A | -0.8073 | |
| 849 | G | A | -0.4157 | |
| 850 | V | A | 0.0458 | |
| 851 | L | A | 0.7385 | |
| 852 | Q | A | -0.7747 | |
| 853 | G | A | -0.8131 | |
| 854 | G | A | -0.6671 | |
| 855 | S | A | -0.7548 | |
| 856 | G | A | -0.3539 | |
| 857 | V | A | 0.5186 | |
| 858 | E | A | -1.0997 |
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 | -0.6872 | 3.221 | View | CSV | PDB |
| 4.5 | -0.7537 | 3.2224 | View | CSV | PDB |
| 5.0 | -0.834 | 3.2266 | View | CSV | PDB |
| 5.5 | -0.9098 | 3.2392 | View | CSV | PDB |
| 6.0 | -0.9617 | 3.2718 | View | CSV | PDB |
| 6.5 | -0.9783 | 3.3382 | View | CSV | PDB |
| 7.0 | -0.9625 | 3.4385 | View | CSV | PDB |
| 7.5 | -0.9267 | 3.5587 | View | CSV | PDB |
| 8.0 | -0.8806 | 3.6871 | View | CSV | PDB |
| 8.5 | -0.8275 | 3.8183 | View | CSV | PDB |
| 9.0 | -0.7682 | 3.9496 | 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