| Chain sequence(s) |
A: HHHHHHGGSGVEMSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHLKKLKESYCQRQGVPMNSLRFLFEGQRIADNHTPKELGMEEEDVIEVYQEQTGGHSTVDNSRLWQAGKEHIFHYTGRLLSGIPGLRPHFSGIGIETEVHLQVKSLEDIRLNLRQVNYTQVNGPLSPGLPHVTSSYEGSNWRYVLLPQFTQAPIDIKKLLKVPITFAIHDGEIKTITVSGTEQEWSLNFKKALVALFQTKMETSTLDLEMNTIVKDSDSTKNYWKVSEETIEGVCDVIYQVNELPEYIVKERAHYFPHLEACTSKKFYEITKTKEIDSCKKSAVYTFMKPAVKAESCNSFKCLSNTFGSASSMTRYYACGPRSNWILQTIVNEGEIVQRPVGVKSETITTGTRQVLKLRTIQPISSEVPKPPQPRTTESIMYEYINAGQVSRQQIGIIPKIPQSELKSGEIYKYLPRHFNPAPSSTESKQHLSATKIKAELKSYIISIIDDLSSVEELAQKEIPLRLTTFIRGMTLLKVEDIKSLYTDLKSTVYSPAHSNQEKISMFHNIFFDAVMVSGTTPAVLFLKDMIKSKEIPTYQATYLLMLLPHHIITPTKEVFTSLLEIIQSEIVISNTILYNTAILSMSNLVEKTCLDKSRQVSYPTAVFGQFCDAQSEIVTEKWIPYLTKAVQTAPTADRRNAIIMALGALKHKDIIPALLPLVEGHGPIEQGSGVAFPNISRTLSIYAIGNVRVHHPELVLPIILSVYSNPAENTQLRIAAFNMLVNMNPPMNIIQKIAAMTWSEKNTEVLKKTYTGFYTLSRSVDISNLEDTSPESTLAKKTQLVVPLMRKTSGVLQGGSGVE
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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:09)
[INFO] FoldX: Starting FoldX energy minimization (00:00:10)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:28:36)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b420a8dfbe0eeeb/tmp/folded.pdb (00:28:36)
[INFO] Main: Simulation completed successfully. (00:46:56)
|
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 | -1.7389 | |
| 2 | H | A | -2.2131 | |
| 3 | H | A | -2.3980 | |
| 4 | H | A | -2.4443 | |
| 5 | H | A | -2.3438 | |
| 6 | H | A | -2.0267 | |
| 7 | G | A | -1.4803 | |
| 8 | G | A | -0.9501 | |
| 9 | S | A | -0.5230 | |
| 10 | G | A | -0.2051 | |
| 11 | V | A | 0.8381 | |
| 12 | E | A | -0.8738 | |
| 13 | M | A | -0.0486 | |
| 14 | S | A | -1.4246 | |
| 15 | D | A | -2.9632 | |
| 16 | Q | A | -3.0828 | |
| 17 | E | A | -3.4265 | |
| 18 | A | A | -2.3621 | |
| 19 | K | A | -2.5514 | |
| 20 | P | A | -1.6966 | |
| 21 | S | A | -1.6353 | |
| 22 | T | A | -1.5878 | |
| 23 | E | A | -2.5035 | |
| 24 | D | A | -2.3798 | |
| 25 | L | A | -0.6957 | |
| 26 | G | A | -2.1250 | |
| 27 | D | A | -3.3700 | |
| 28 | K | A | -3.8227 | |
| 29 | K | A | -4.2498 | |
| 30 | E | A | -3.8479 | |
| 31 | G | A | -2.3751 | |
| 32 | E | A | -2.6640 | |
| 33 | Y | A | -1.7570 | |
| 34 | I | A | 0.0000 | |
| 35 | K | A | -2.8150 | |
| 36 | L | A | 0.0000 | |
| 37 | K | A | -1.8091 | |
| 38 | V | A | 0.0000 | |
| 39 | I | A | -1.2124 | |
| 40 | G | A | -1.9305 | |
| 41 | Q | A | -2.5584 | |
| 42 | D | A | -2.6398 | |
| 43 | S | A | -1.9280 | |
| 44 | S | A | -1.6700 | |
| 45 | E | A | -2.1745 | |
| 46 | I | A | -0.9803 | |
| 47 | H | A | -1.8011 | |
| 48 | F | A | -1.6084 | |
| 49 | K | A | -2.5257 | |
| 50 | V | A | 0.0000 | |
| 51 | K | A | -1.7019 | |
| 52 | M | A | -2.3842 | |
| 53 | T | A | -1.5644 | |
| 54 | T | A | -1.4258 | |
| 55 | H | A | -2.6821 | |
| 56 | L | A | 0.0000 | |
| 57 | K | A | -2.9017 | |
| 58 | K | A | -3.1321 | |
| 59 | L | A | 0.0000 | |
| 60 | K | A | 0.0000 | |
| 61 | E | A | -3.3679 | |
| 62 | S | A | -2.4689 | |
| 63 | Y | A | 0.0000 | |
| 64 | C | A | 0.0000 | |
| 65 | Q | A | -2.8990 | |
| 66 | R | A | -3.0755 | |
| 67 | Q | A | -2.3544 | |
| 68 | G | A | -1.6683 | |
| 69 | V | A | -1.2068 | |
| 70 | P | A | -1.0465 | |
| 71 | M | A | -1.5249 | |
| 72 | N | A | -1.9140 | |
| 73 | S | A | -1.4120 | |
| 74 | L | A | 0.0000 | |
| 75 | R | A | -2.0784 | |
| 76 | F | A | 0.0000 | |
| 77 | L | A | -1.9502 | |
| 78 | F | A | 0.0000 | |
| 79 | E | A | -2.7256 | |
| 80 | G | A | -2.4606 | |
| 81 | Q | A | -2.9046 | |
| 82 | R | A | -3.1124 | |
| 83 | I | A | 0.0000 | |
| 84 | A | A | -1.7534 | |
| 85 | D | A | -2.5878 | |
| 86 | N | A | -2.5737 | |
| 87 | H | A | -2.3002 | |
| 88 | T | A | 0.0000 | |
| 89 | P | A | 0.0000 | |
| 90 | K | A | -3.1854 | |
| 91 | E | A | -2.8705 | |
| 92 | L | A | -1.9429 | |
| 93 | G | A | -1.9169 | |
| 94 | M | A | 0.0000 | |
| 95 | E | A | -3.3434 | |
| 96 | E | A | -3.5850 | |
| 97 | E | A | -3.2777 | |
| 98 | D | A | -2.4105 | |
| 99 | V | A | -1.2591 | |
| 100 | I | A | 0.0000 | |
| 101 | E | A | -1.8997 | |
| 102 | V | A | 0.0000 | |
| 103 | Y | A | -1.5196 | |
| 104 | Q | A | -2.1612 | |
| 105 | E | A | -2.0931 | |
| 106 | Q | A | -2.2696 | |
| 107 | T | A | -1.5996 | |
| 108 | G | A | -1.4025 | |
| 109 | G | A | -1.4112 | |
| 110 | H | A | -1.8472 | |
| 111 | S | A | -1.4705 | |
| 112 | T | A | -1.6307 | |
| 113 | V | A | -1.7260 | |
| 114 | D | A | -2.2106 | |
| 115 | N | A | 0.0000 | |
| 116 | S | A | -1.4400 | |
| 117 | R | A | -1.4312 | |
| 118 | L | A | -0.7049 | |
| 119 | W | A | 0.0000 | |
| 120 | Q | A | -1.2123 | |
| 121 | A | A | -1.0195 | |
| 122 | G | A | -1.1107 | |
| 123 | K | A | -1.0278 | |
| 124 | E | A | 0.0000 | |
| 125 | H | A | 0.0000 | |
| 126 | I | A | 0.0000 | |
| 127 | F | A | 0.0000 | |
| 128 | H | A | -0.9008 | |
| 129 | Y | A | 0.0000 | |
| 130 | T | A | -0.2470 | |
| 131 | G | A | 0.0000 | |
| 132 | R | A | 0.1390 | |
| 133 | L | A | 0.6182 | |
| 134 | L | A | 0.0000 | |
| 135 | S | A | 0.2510 | |
| 136 | G | A | -0.1899 | |
| 137 | I | A | 0.2097 | |
| 138 | P | A | -0.2920 | |
| 139 | G | A | -0.3253 | |
| 140 | L | A | 0.0545 | |
| 141 | R | A | -1.5330 | |
| 142 | P | A | -1.0727 | |
| 143 | H | A | -1.5590 | |
| 144 | F | A | 0.0000 | |
| 145 | S | A | -0.8646 | |
| 146 | G | A | -0.2842 | |
| 147 | I | A | 0.2808 | |
| 148 | G | A | 0.0000 | |
| 149 | I | A | 0.2039 | |
| 150 | E | A | -0.6534 | |
| 151 | T | A | 0.0000 | |
| 152 | E | A | -1.2599 | |
| 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 | -1.7662 | |
| 159 | S | A | -1.3204 | |
| 160 | L | A | -1.3086 | |
| 161 | E | A | -2.2363 | |
| 162 | D | A | -1.5532 | |
| 163 | I | A | 0.0000 | |
| 164 | R | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | N | A | -0.7538 | |
| 167 | L | A | 0.0000 | |
| 168 | R | A | -1.9885 | |
| 169 | Q | A | -2.2441 | |
| 170 | V | A | 0.0000 | |
| 171 | N | A | -1.1009 | |
| 172 | Y | A | -0.3975 | |
| 173 | T | A | 0.0000 | |
| 174 | Q | A | -1.2337 | |
| 175 | V | A | 0.0000 | |
| 176 | N | A | -1.8147 | |
| 177 | G | A | -1.5405 | |
| 178 | P | A | -1.2137 | |
| 179 | L | A | 0.0000 | |
| 180 | S | A | 0.0606 | |
| 181 | P | A | 0.0690 | |
| 182 | G | A | 0.3016 | |
| 183 | L | A | 0.1236 | |
| 184 | P | A | -0.5327 | |
| 185 | H | A | -0.8622 | |
| 186 | V | A | -0.2472 | |
| 187 | T | A | -0.3507 | |
| 188 | S | A | -0.2500 | |
| 189 | S | A | -0.0304 | |
| 190 | Y | A | 0.4235 | |
| 191 | E | A | -0.7956 | |
| 192 | G | A | 0.0000 | |
| 193 | S | A | -0.3346 | |
| 194 | N | A | -0.4547 | |
| 195 | W | A | 0.0000 | |
| 196 | R | A | -0.2132 | |
| 197 | Y | A | 0.4422 | |
| 198 | V | A | 0.0000 | |
| 199 | L | A | 1.4040 | |
| 200 | L | A | 0.5060 | |
| 201 | P | A | -0.4593 | |
| 202 | Q | A | -0.9947 | |
| 203 | F | A | -0.6811 | |
| 204 | T | A | -0.9249 | |
| 205 | Q | A | -1.1264 | |
| 206 | A | A | 0.0000 | |
| 207 | P | A | -0.0799 | |
| 208 | I | A | 0.6259 | |
| 209 | D | A | -1.1823 | |
| 210 | I | A | -0.6124 | |
| 211 | K | A | -1.6592 | |
| 212 | K | A | -2.1125 | |
| 213 | L | A | -1.1271 | |
| 214 | L | A | 0.0000 | |
| 215 | K | A | -2.5947 | |
| 216 | V | A | -1.1940 | |
| 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 | -2.2600 | |
| 224 | D | A | -2.8490 | |
| 225 | G | A | 0.0000 | |
| 226 | E | A | -1.6842 | |
| 227 | I | A | 0.0000 | |
| 228 | K | A | -2.0421 | |
| 229 | T | A | -1.2926 | |
| 230 | I | A | 0.0000 | |
| 231 | T | A | -0.6468 | |
| 232 | V | A | 0.0000 | |
| 233 | S | A | 0.0000 | |
| 234 | G | A | -1.0682 | |
| 235 | T | A | -0.7750 | |
| 236 | E | A | 0.0000 | |
| 237 | Q | A | -0.8648 | |
| 238 | E | A | -0.3914 | |
| 239 | W | A | 0.4147 | |
| 240 | S | A | 0.0000 | |
| 241 | L | A | 0.0000 | |
| 242 | N | A | 0.0000 | |
| 243 | F | A | 0.4594 | |
| 244 | K | A | 0.0000 | |
| 245 | K | A | 0.0000 | |
| 246 | A | A | 0.2292 | |
| 247 | L | A | 0.0000 | |
| 248 | V | A | 0.0000 | |
| 249 | A | A | -0.0051 | |
| 250 | L | A | 0.0000 | |
| 251 | F | A | 0.0000 | |
| 252 | Q | A | 0.0000 | |
| 253 | T | A | 0.0000 | |
| 254 | K | A | -1.2071 | |
| 255 | M | A | -0.8041 | |
| 256 | E | A | -1.3237 | |
| 257 | T | A | -1.0080 | |
| 258 | S | A | -1.0748 | |
| 259 | T | A | -0.6467 | |
| 260 | L | A | -0.7734 | |
| 261 | D | A | -1.6549 | |
| 262 | L | A | -0.5213 | |
| 263 | E | A | -1.3712 | |
| 264 | M | A | -0.1202 | |
| 265 | N | A | -0.5339 | |
| 266 | T | A | 0.2964 | |
| 267 | I | A | 1.3713 | |
| 268 | V | A | 0.0758 | |
| 269 | K | A | -1.9659 | |
| 270 | D | A | -2.6322 | |
| 271 | S | A | -1.9467 | |
| 272 | D | A | -1.7692 | |
| 273 | S | A | -1.6942 | |
| 274 | T | A | -1.2126 | |
| 275 | K | A | -1.4902 | |
| 276 | N | A | -1.8598 | |
| 277 | Y | A | -0.4628 | |
| 278 | W | A | 0.0000 | |
| 279 | K | A | -1.6496 | |
| 280 | V | A | -0.8907 | |
| 281 | S | A | -1.0615 | |
| 282 | E | A | 0.0000 | |
| 283 | E | A | -0.7318 | |
| 284 | T | A | 0.0000 | |
| 285 | I | A | 0.2361 | |
| 286 | E | A | -0.7314 | |
| 287 | G | A | 0.0000 | |
| 288 | V | A | -1.1954 | |
| 289 | C | A | 0.0000 | |
| 290 | D | A | -1.8960 | |
| 291 | V | A | 0.0000 | |
| 292 | I | A | -0.6937 | |
| 293 | Y | A | 0.0000 | |
| 294 | Q | A | -1.2207 | |
| 295 | V | A | 0.0000 | |
| 296 | N | A | -2.3477 | |
| 297 | E | A | -2.9157 | |
| 298 | L | A | 0.0000 | |
| 299 | P | A | -1.4047 | |
| 300 | E | A | -2.2388 | |
| 301 | Y | A | -0.5769 | |
| 302 | I | A | -1.0061 | |
| 303 | V | A | 0.0000 | |
| 304 | K | A | -2.7672 | |
| 305 | E | A | -2.8704 | |
| 306 | R | A | -2.2138 | |
| 307 | A | A | -1.8364 | |
| 308 | H | A | -1.7040 | |
| 309 | Y | A | -0.9597 | |
| 310 | F | A | 0.0000 | |
| 311 | P | A | -0.9180 | |
| 312 | H | A | -0.9958 | |
| 313 | L | A | -0.9221 | |
| 314 | E | A | -1.7526 | |
| 315 | A | A | -0.8891 | |
| 316 | C | A | 0.0000 | |
| 317 | T | A | -1.0577 | |
| 318 | S | A | -1.0564 | |
| 319 | K | A | -1.3191 | |
| 320 | K | A | -2.4251 | |
| 321 | F | A | -1.4582 | |
| 322 | Y | A | -1.2048 | |
| 323 | E | A | 0.0000 | |
| 324 | I | A | 0.0000 | |
| 325 | T | A | -0.4174 | |
| 326 | K | A | 0.0000 | |
| 327 | T | A | -0.7370 | |
| 328 | K | A | -1.2505 | |
| 329 | E | A | -2.0528 | |
| 330 | I | A | 0.0000 | |
| 331 | D | A | -2.7805 | |
| 332 | S | A | -2.1197 | |
| 333 | C | A | -2.3234 | |
| 334 | K | A | -2.7675 | |
| 335 | K | A | -2.2909 | |
| 336 | S | A | 0.0000 | |
| 337 | A | A | 0.0000 | |
| 338 | V | A | 0.0000 | |
| 339 | Y | A | 0.2977 | |
| 340 | T | A | 0.0000 | |
| 341 | F | A | 0.0270 | |
| 342 | M | A | 0.0000 | |
| 343 | K | A | -0.6098 | |
| 344 | P | A | -0.6672 | |
| 345 | A | A | -0.5160 | |
| 346 | V | A | -0.2548 | |
| 347 | K | A | -2.1377 | |
| 348 | A | A | -1.9481 | |
| 349 | E | A | -2.9499 | |
| 350 | S | A | -2.1586 | |
| 351 | C | A | 0.0000 | |
| 352 | N | A | -1.2164 | |
| 353 | S | A | -1.5042 | |
| 354 | F | A | -1.5056 | |
| 355 | K | A | -2.5751 | |
| 356 | C | A | -1.5374 | |
| 357 | L | A | -0.5671 | |
| 358 | S | A | -1.0129 | |
| 359 | N | A | -1.6383 | |
| 360 | T | A | -0.7406 | |
| 361 | F | A | 0.2802 | |
| 362 | G | A | -0.2184 | |
| 363 | S | A | -0.5181 | |
| 364 | A | A | -0.3217 | |
| 365 | S | A | -0.4275 | |
| 366 | S | A | -0.3352 | |
| 367 | M | A | -0.3031 | |
| 368 | T | A | 0.0000 | |
| 369 | R | A | -0.4945 | |
| 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 | -0.8836 | |
| 376 | R | A | 0.0000 | |
| 377 | S | A | -1.0519 | |
| 378 | N | A | -0.9534 | |
| 379 | W | A | 0.0000 | |
| 380 | I | A | 0.1210 | |
| 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 | -0.3584 | |
| 387 | E | A | -0.5801 | |
| 388 | G | A | -0.1231 | |
| 389 | E | A | 0.1527 | |
| 390 | I | A | 1.1778 | |
| 391 | V | A | 0.6290 | |
| 392 | Q | A | 0.0669 | |
| 393 | R | A | -0.7369 | |
| 394 | P | A | 0.2640 | |
| 395 | V | A | 1.0627 | |
| 396 | G | A | 0.3635 | |
| 397 | V | A | 0.6647 | |
| 398 | K | A | -1.1357 | |
| 399 | S | A | -0.9257 | |
| 400 | E | A | -1.2183 | |
| 401 | T | A | -0.2736 | |
| 402 | I | A | 0.5215 | |
| 403 | T | A | 0.0000 | |
| 404 | T | A | 0.6714 | |
| 405 | G | A | 0.0000 | |
| 406 | T | A | 0.0632 | |
| 407 | R | A | -0.3085 | |
| 408 | Q | A | 0.0000 | |
| 409 | V | A | -0.1928 | |
| 410 | L | A | 0.0000 | |
| 411 | K | A | -0.9725 | |
| 412 | L | A | 0.0000 | |
| 413 | R | A | -1.2548 | |
| 414 | T | A | -0.4234 | |
| 415 | I | A | 0.0986 | |
| 416 | Q | A | -0.4903 | |
| 417 | P | A | -0.5721 | |
| 418 | I | A | -0.7435 | |
| 419 | S | A | -0.7957 | |
| 420 | S | A | -1.1560 | |
| 421 | E | A | -2.2032 | |
| 422 | V | A | 0.0000 | |
| 423 | P | A | -1.3259 | |
| 424 | K | A | -1.7306 | |
| 425 | P | A | 0.0000 | |
| 426 | P | A | -1.2237 | |
| 427 | Q | A | -1.6542 | |
| 428 | P | A | -1.3237 | |
| 429 | R | A | 0.0000 | |
| 430 | T | A | -0.5563 | |
| 431 | T | A | 0.0000 | |
| 432 | E | A | -1.6585 | |
| 433 | S | A | 0.0000 | |
| 434 | I | A | 0.0000 | |
| 435 | M | A | 0.0000 | |
| 436 | Y | A | 1.0006 | |
| 437 | E | A | 0.0000 | |
| 438 | Y | A | 0.6203 | |
| 439 | I | A | 0.1350 | |
| 440 | N | A | -0.5593 | |
| 441 | A | A | -0.3494 | |
| 442 | G | A | -0.8306 | |
| 443 | Q | A | -1.6505 | |
| 444 | V | A | -1.1949 | |
| 445 | S | A | -1.9724 | |
| 446 | R | A | -3.0077 | |
| 447 | Q | A | -2.2233 | |
| 448 | Q | A | -1.6163 | |
| 449 | I | A | -1.0240 | |
| 450 | G | A | -0.4689 | |
| 451 | I | A | 1.1708 | |
| 452 | I | A | 0.6979 | |
| 453 | P | A | -0.2352 | |
| 454 | K | A | -1.4171 | |
| 455 | I | A | 0.0000 | |
| 456 | P | A | -1.1122 | |
| 457 | Q | A | -1.5891 | |
| 458 | S | A | -1.5646 | |
| 459 | E | A | -1.8170 | |
| 460 | L | A | 0.0000 | |
| 461 | K | A | -2.2899 | |
| 462 | S | A | -1.5847 | |
| 463 | G | A | 0.0000 | |
| 464 | E | A | -1.8688 | |
| 465 | I | A | 0.0000 | |
| 466 | Y | A | -1.5487 | |
| 467 | K | A | -2.3425 | |
| 468 | Y | A | -0.7717 | |
| 469 | L | A | 0.0000 | |
| 470 | P | A | -1.1834 | |
| 471 | R | A | -1.9148 | |
| 472 | H | A | -2.3499 | |
| 473 | F | A | 0.0000 | |
| 474 | N | A | -1.6507 | |
| 475 | P | A | 0.0000 | |
| 476 | A | A | -0.4399 | |
| 477 | P | A | -0.5533 | |
| 478 | S | A | -0.6141 | |
| 479 | S | A | -1.1452 | |
| 480 | T | A | -1.3011 | |
| 481 | E | A | -2.5585 | |
| 482 | S | A | -2.2792 | |
| 483 | K | A | -2.6900 | |
| 484 | Q | A | -2.6823 | |
| 485 | H | A | -2.3282 | |
| 486 | L | A | -1.4664 | |
| 487 | S | A | -0.9303 | |
| 488 | A | A | -0.7352 | |
| 489 | T | A | -0.6873 | |
| 490 | K | A | -1.1698 | |
| 491 | I | A | 0.0000 | |
| 492 | K | A | -1.0740 | |
| 493 | A | A | -0.9303 | |
| 494 | E | A | -0.7307 | |
| 495 | L | A | 0.0000 | |
| 496 | K | A | -1.0329 | |
| 497 | S | A | -0.3737 | |
| 498 | Y | A | -0.0596 | |
| 499 | I | A | 0.0000 | |
| 500 | I | A | -0.3139 | |
| 501 | S | A | -0.6789 | |
| 502 | I | A | 0.0000 | |
| 503 | I | A | 0.0000 | |
| 504 | D | A | -1.8901 | |
| 505 | D | A | -1.2581 | |
| 506 | L | A | 0.0426 | |
| 507 | S | A | -0.8058 | |
| 508 | S | A | -0.3245 | |
| 509 | V | A | 0.7152 | |
| 510 | E | A | -1.7450 | |
| 511 | E | A | -2.4564 | |
| 512 | L | A | -0.6880 | |
| 513 | A | A | -1.2032 | |
| 514 | Q | A | -2.2464 | |
| 515 | K | A | -1.7087 | |
| 516 | E | A | -1.6474 | |
| 517 | I | A | 0.0000 | |
| 518 | P | A | 0.0480 | |
| 519 | L | A | 0.9357 | |
| 520 | R | A | 0.1690 | |
| 521 | L | A | 0.4592 | |
| 522 | T | A | 0.4997 | |
| 523 | T | A | -0.0531 | |
| 524 | F | A | 0.0000 | |
| 525 | I | A | 0.2528 | |
| 526 | R | A | -1.0042 | |
| 527 | G | A | 0.0000 | |
| 528 | M | A | 0.0000 | |
| 529 | T | A | 0.0000 | |
| 530 | L | A | 0.0000 | |
| 531 | L | A | 0.0000 | |
| 532 | K | A | -1.8949 | |
| 533 | V | A | -1.5648 | |
| 534 | E | A | -2.2668 | |
| 535 | D | A | -1.5651 | |
| 536 | I | A | 0.0000 | |
| 537 | K | A | -1.6821 | |
| 538 | S | A | -1.5306 | |
| 539 | L | A | 0.0000 | |
| 540 | Y | A | 0.0000 | |
| 541 | T | A | -1.3151 | |
| 542 | D | A | -2.1857 | |
| 543 | L | A | 0.0000 | |
| 544 | K | A | -0.9295 | |
| 545 | S | A | -0.8805 | |
| 546 | T | A | -0.6487 | |
| 547 | V | A | 0.0000 | |
| 548 | Y | A | 0.0624 | |
| 549 | S | A | -0.1773 | |
| 550 | P | A | -0.3767 | |
| 551 | A | A | -0.3050 | |
| 552 | H | A | -1.1382 | |
| 553 | S | A | -1.1217 | |
| 554 | N | A | -1.9716 | |
| 555 | Q | A | -2.3936 | |
| 556 | E | A | -2.7711 | |
| 557 | K | A | -1.9184 | |
| 558 | I | A | -1.2024 | |
| 559 | S | A | -1.2394 | |
| 560 | M | A | -1.0114 | |
| 561 | F | A | 0.0000 | |
| 562 | H | A | -0.7608 | |
| 563 | N | A | -0.8052 | |
| 564 | I | A | -0.2162 | |
| 565 | F | A | 0.0000 | |
| 566 | F | A | 0.0000 | |
| 567 | D | A | -0.3465 | |
| 568 | A | A | 0.0000 | |
| 569 | V | A | 0.0000 | |
| 570 | M | A | 0.0000 | |
| 571 | V | A | 0.2150 | |
| 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 | -0.6356 | |
| 580 | F | A | 0.0000 | |
| 581 | L | A | 0.0000 | |
| 582 | K | A | -0.9793 | |
| 583 | D | A | -1.7501 | |
| 584 | M | A | -1.4200 | |
| 585 | I | A | 0.0000 | |
| 586 | K | A | -2.4376 | |
| 587 | S | A | -1.8683 | |
| 588 | K | A | -2.4261 | |
| 589 | E | A | -1.6716 | |
| 590 | I | A | 0.0000 | |
| 591 | P | A | -0.2280 | |
| 592 | T | A | 0.5253 | |
| 593 | Y | A | 1.6704 | |
| 594 | Q | A | 0.0000 | |
| 595 | A | A | 0.0000 | |
| 596 | T | A | 1.2435 | |
| 597 | Y | A | 1.1361 | |
| 598 | L | A | 0.0000 | |
| 599 | L | A | 0.0000 | |
| 600 | M | A | 0.9064 | |
| 601 | L | A | 0.5545 | |
| 602 | L | A | 0.0000 | |
| 603 | P | A | 0.0000 | |
| 604 | H | A | -0.7163 | |
| 605 | H | A | -0.4068 | |
| 606 | I | A | 0.0000 | |
| 607 | I | A | 0.0000 | |
| 608 | T | A | 0.0000 | |
| 609 | P | A | 0.0000 | |
| 610 | T | A | 0.0000 | |
| 611 | K | A | -2.4016 | |
| 612 | E | A | -1.9544 | |
| 613 | V | A | 0.0000 | |
| 614 | F | A | 0.0000 | |
| 615 | T | A | -1.1092 | |
| 616 | S | A | 0.0000 | |
| 617 | L | A | 0.0000 | |
| 618 | L | A | -0.7702 | |
| 619 | E | A | -1.8212 | |
| 620 | I | A | 0.0000 | |
| 621 | I | A | 0.0000 | |
| 622 | Q | A | -1.6109 | |
| 623 | S | A | 0.0000 | |
| 624 | E | A | -2.0232 | |
| 625 | I | A | -1.2281 | |
| 626 | V | A | 0.0000 | |
| 627 | I | A | 0.0088 | |
| 628 | S | A | -0.1788 | |
| 629 | N | A | 0.1707 | |
| 630 | T | A | 0.6417 | |
| 631 | I | A | 1.9014 | |
| 632 | L | A | 0.0000 | |
| 633 | Y | A | 0.0000 | |
| 634 | N | A | 0.5867 | |
| 635 | T | A | 0.9023 | |
| 636 | A | A | 0.0000 | |
| 637 | I | A | 0.0000 | |
| 638 | L | A | 0.5067 | |
| 639 | S | A | 0.0000 | |
| 640 | M | A | 0.0000 | |
| 641 | S | A | 0.0000 | |
| 642 | N | A | -0.4647 | |
| 643 | L | A | 0.0000 | |
| 644 | V | A | 0.0000 | |
| 645 | E | A | 0.0000 | |
| 646 | K | A | -1.2202 | |
| 647 | T | A | 0.0000 | |
| 648 | C | A | 0.0000 | |
| 649 | L | A | 0.0000 | |
| 650 | D | A | -1.9009 | |
| 651 | K | A | -2.8846 | |
| 652 | S | A | 0.0000 | |
| 653 | R | A | -2.3485 | |
| 654 | Q | A | -2.0224 | |
| 655 | V | A | 0.0000 | |
| 656 | S | A | -0.8908 | |
| 657 | Y | A | 0.0000 | |
| 658 | P | A | 0.0000 | |
| 659 | T | A | 0.0000 | |
| 660 | A | A | 0.0000 | |
| 661 | V | A | 0.0000 | |
| 662 | F | A | 0.0000 | |
| 663 | G | A | -1.2570 | |
| 664 | Q | A | -1.7650 | |
| 665 | F | A | 0.0000 | |
| 666 | C | A | 0.0000 | |
| 667 | D | A | -1.5237 | |
| 668 | A | A | -1.3451 | |
| 669 | Q | A | -2.0360 | |
| 670 | S | A | -2.2067 | |
| 671 | E | A | -3.1909 | |
| 672 | I | A | -2.0953 | |
| 673 | V | A | 0.0000 | |
| 674 | T | A | -2.3272 | |
| 675 | E | A | -3.0572 | |
| 676 | K | A | -2.1739 | |
| 677 | W | A | 0.0000 | |
| 678 | I | A | 0.0000 | |
| 679 | P | A | -1.4190 | |
| 680 | Y | A | -0.9556 | |
| 681 | L | A | 0.0000 | |
| 682 | T | A | -1.2669 | |
| 683 | K | A | -2.0732 | |
| 684 | A | A | 0.0000 | |
| 685 | V | A | 0.0000 | |
| 686 | Q | A | -1.6765 | |
| 687 | T | A | -1.2039 | |
| 688 | A | A | -1.0533 | |
| 689 | P | A | -0.8626 | |
| 690 | T | A | -0.7533 | |
| 691 | A | A | -0.7281 | |
| 692 | D | A | -1.4072 | |
| 693 | R | A | 0.0000 | |
| 694 | R | A | 0.0000 | |
| 695 | N | A | -0.2822 | |
| 696 | A | A | 0.0000 | |
| 697 | I | A | 0.0000 | |
| 698 | I | A | 0.0000 | |
| 699 | M | A | 0.7182 | |
| 700 | A | A | 0.0000 | |
| 701 | L | A | 0.0000 | |
| 702 | G | A | 0.0000 | |
| 703 | A | A | 0.0079 | |
| 704 | L | A | 0.0000 | |
| 705 | K | A | -0.6536 | |
| 706 | H | A | 0.0000 | |
| 707 | K | A | -1.5568 | |
| 708 | D | A | -1.7874 | |
| 709 | I | A | 0.0000 | |
| 710 | I | A | 0.0000 | |
| 711 | P | A | -0.5677 | |
| 712 | A | A | -0.6534 | |
| 713 | L | A | 0.0000 | |
| 714 | L | A | -0.2807 | |
| 715 | P | A | -1.0241 | |
| 716 | L | A | 0.0000 | |
| 717 | V | A | 0.0000 | |
| 718 | E | A | -2.1805 | |
| 719 | G | A | -1.5820 | |
| 720 | H | A | -1.4360 | |
| 721 | G | A | -0.8855 | |
| 722 | P | A | -0.4242 | |
| 723 | I | A | 0.4392 | |
| 724 | E | A | -0.5607 | |
| 725 | Q | A | -1.3242 | |
| 726 | G | A | -0.9723 | |
| 727 | S | A | -0.3576 | |
| 728 | G | A | -0.0277 | |
| 729 | V | A | 1.1531 | |
| 730 | A | A | 0.4813 | |
| 731 | F | A | 0.0000 | |
| 732 | P | A | 0.1406 | |
| 733 | N | A | -0.8991 | |
| 734 | I | A | 0.7815 | |
| 735 | S | A | 0.0000 | |
| 736 | R | A | -0.6904 | |
| 737 | T | A | 0.0000 | |
| 738 | L | A | 0.7237 | |
| 739 | S | A | 0.0000 | |
| 740 | I | A | 0.0000 | |
| 741 | Y | A | 0.6906 | |
| 742 | A | A | 0.0000 | |
| 743 | I | A | 0.0000 | |
| 744 | G | A | 0.0000 | |
| 745 | N | A | -0.1228 | |
| 746 | V | A | 0.0000 | |
| 747 | R | A | -0.4736 | |
| 748 | V | A | 0.7828 | |
| 749 | H | A | -0.3997 | |
| 750 | H | A | -0.7417 | |
| 751 | P | A | -0.8740 | |
| 752 | E | A | -1.6994 | |
| 753 | L | A | -0.4635 | |
| 754 | V | A | 0.0000 | |
| 755 | L | A | -0.2203 | |
| 756 | P | A | -0.1675 | |
| 757 | I | A | 0.1971 | |
| 758 | I | A | 0.0000 | |
| 759 | L | A | -0.0549 | |
| 760 | S | A | -0.3366 | |
| 761 | V | A | 0.0000 | |
| 762 | Y | A | 0.0000 | |
| 763 | S | A | -0.6478 | |
| 764 | N | A | -1.0112 | |
| 765 | P | A | -1.1989 | |
| 766 | A | A | -0.5866 | |
| 767 | E | A | -1.2463 | |
| 768 | N | A | -1.4930 | |
| 769 | T | A | -1.4985 | |
| 770 | Q | A | -1.4866 | |
| 771 | L | A | 0.0000 | |
| 772 | R | A | 0.0000 | |
| 773 | I | A | -0.8304 | |
| 774 | A | A | 0.0000 | |
| 775 | A | A | 0.0000 | |
| 776 | F | A | 0.0000 | |
| 777 | N | A | -0.9270 | |
| 778 | M | A | -0.5231 | |
| 779 | L | A | 0.0000 | |
| 780 | V | A | -0.6457 | |
| 781 | N | A | -1.6348 | |
| 782 | M | A | -0.5868 | |
| 783 | N | A | -0.9169 | |
| 784 | P | A | 0.0000 | |
| 785 | P | A | -0.5534 | |
| 786 | M | A | -0.7084 | |
| 787 | N | A | -1.6923 | |
| 788 | I | A | -0.9980 | |
| 789 | I | A | 0.0000 | |
| 790 | Q | A | -1.2842 | |
| 791 | K | A | -1.5665 | |
| 792 | I | A | 0.0000 | |
| 793 | A | A | 0.0000 | |
| 794 | A | A | -0.0964 | |
| 795 | M | A | -0.3188 | |
| 796 | T | A | 0.0000 | |
| 797 | W | A | 0.3158 | |
| 798 | S | A | -0.3789 | |
| 799 | E | A | -1.3776 | |
| 800 | K | A | -2.0988 | |
| 801 | N | A | -2.0416 | |
| 802 | T | A | -1.9959 | |
| 803 | E | A | -2.8620 | |
| 804 | V | A | 0.0000 | |
| 805 | L | A | -1.9907 | |
| 806 | K | A | -2.7001 | |
| 807 | K | A | -1.8315 | |
| 808 | T | A | 0.0000 | |
| 809 | Y | A | 0.0000 | |
| 810 | T | A | -0.7224 | |
| 811 | G | A | -0.4519 | |
| 812 | F | A | 0.0000 | |
| 813 | Y | A | -0.5114 | |
| 814 | T | A | -0.5129 | |
| 815 | L | A | -0.7029 | |
| 816 | S | A | 0.0000 | |
| 817 | R | A | -1.9049 | |
| 818 | S | A | -1.2805 | |
| 819 | V | A | -1.1292 | |
| 820 | D | A | -1.2281 | |
| 821 | I | A | 0.5956 | |
| 822 | S | A | -0.0545 | |
| 823 | N | A | -0.7382 | |
| 824 | L | A | 0.2339 | |
| 825 | E | A | -1.4973 | |
| 826 | D | A | -1.5309 | |
| 827 | T | A | -1.1228 | |
| 828 | S | A | -1.2516 | |
| 829 | P | A | -1.4555 | |
| 830 | E | A | -2.2577 | |
| 831 | S | A | 0.0000 | |
| 832 | T | A | -0.6675 | |
| 833 | L | A | 0.0000 | |
| 834 | A | A | 0.0000 | |
| 835 | K | A | -0.2936 | |
| 836 | K | A | -0.4840 | |
| 837 | T | A | 0.0000 | |
| 838 | Q | A | 0.3523 | |
| 839 | L | A | 1.3491 | |
| 840 | V | A | 0.0000 | |
| 841 | V | A | 0.0000 | |
| 842 | P | A | 0.3709 | |
| 843 | L | A | 1.1602 | |
| 844 | M | A | 0.0000 | |
| 845 | R | A | -1.5640 | |
| 846 | K | A | -2.1765 | |
| 847 | T | A | 0.0000 | |
| 848 | S | A | -0.7925 | |
| 849 | G | A | -0.4426 | |
| 850 | V | A | 0.0742 | |
| 851 | L | A | 0.7772 | |
| 852 | Q | A | -0.8007 | |
| 853 | G | A | -0.8828 | |
| 854 | G | A | -0.8547 | |
| 855 | S | A | -0.6471 | |
| 856 | G | A | -0.4618 | |
| 857 | V | A | 0.4964 | |
| 858 | E | A | -1.1003 |
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 | -0.6854 | 3.0169 | View | CSV | PDB |
| 4.5 | -0.7528 | 2.9807 | View | CSV | PDB |
| 5.0 | -0.833 | 2.9403 | View | CSV | PDB |
| 5.5 | -0.9081 | 2.8982 | View | CSV | PDB |
| 6.0 | -0.9594 | 2.8557 | View | CSV | PDB |
| 6.5 | -0.9757 | 2.813 | View | CSV | PDB |
| 7.0 | -0.9602 | 2.7706 | View | CSV | PDB |
| 7.5 | -0.9257 | 2.7288 | View | CSV | PDB |
| 8.0 | -0.8819 | 2.6891 | View | CSV | PDB |
| 8.5 | -0.8317 | 2.681 | View | CSV | PDB |
| 9.0 | -0.7752 | 2.8397 | 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