| Chain sequence(s) |
A: HHHHHHSLFLIESEPSTGASVSKNLTEIILIFSNDINKVSQLALTDLITDSDIQGIDYNIEGNKVIINNFSLEPTCNYRLSYEVIDIYDNHLQGYIEFLVGGGGSGGGGSGGGGSANLNGTLMQYFEWYMPNDGQHWKRLQNDSAYLAEHGITAVWIPPAYKTSQADVGYGAYDLYDLGEFHQKGTVRTKYGTKGELQSAIKSLHSRDINVYGDVVINHKGGADATEDVTAVEVDPADRNRVISGEHRIKAWTHFHFPGRGSTYSDFKWHWYHFDGTDWDESRKLNRIYKFQGKAWDWEVSNENGNYDYLMYADIDYDHPDVAAEIKRWGTWYANELQLDGFRLDAVKHIKFSFLRDWVNHVREKTGKEMFTVAEYWQNDLGALENYLNKTNFHSVFDVPLHYQFHAASTQGGGYDMRKLLNSTVVSKHPLKAVTFVDNHDTQPGQSLESTVQTWFKPLAYAFILTRESGYPQVFYGDMYGTKGDSQREIPALKHKIEPILKARKQYAYGAQHDYFDHHDIVGWTREGDSSVANSGLAALITDGPGGAKRMYVGRQNAGETWHDITGNRSEPVVINSEGWGEFHVNGGSVSIYVQR
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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:06:37)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/f8248a3c3edc69c/tmp/folded.pdb (00:06:37)
[INFO] Main: Simulation completed successfully. (00:10:53)
|
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 | -1.7203 | |
| 2 | H | A | -2.0229 | |
| 3 | H | A | -1.9490 | |
| 4 | H | A | -2.4443 | |
| 5 | H | A | -1.9674 | |
| 6 | H | A | 0.0000 | |
| 7 | S | A | -1.2011 | |
| 8 | L | A | 0.0000 | |
| 9 | F | A | 0.4614 | |
| 10 | L | A | 0.0000 | |
| 11 | I | A | -0.0907 | |
| 12 | E | A | -1.9167 | |
| 13 | S | A | 0.0000 | |
| 14 | E | A | -2.2795 | |
| 15 | P | A | -1.6569 | |
| 16 | S | A | -1.6122 | |
| 17 | T | A | -1.2177 | |
| 18 | G | A | 0.0000 | |
| 19 | A | A | 0.0000 | |
| 20 | S | A | -1.1401 | |
| 21 | V | A | 0.0000 | |
| 22 | S | A | -1.8179 | |
| 23 | K | A | -2.9135 | |
| 24 | N | A | -2.3275 | |
| 25 | L | A | -1.5250 | |
| 26 | T | A | -1.4554 | |
| 27 | E | A | -1.5676 | |
| 28 | I | A | 0.0000 | |
| 29 | I | A | -0.6654 | |
| 30 | L | A | 0.0000 | |
| 31 | I | A | -0.6431 | |
| 32 | F | A | 0.0000 | |
| 33 | S | A | -0.6602 | |
| 34 | N | A | -1.1425 | |
| 35 | D | A | -1.9281 | |
| 36 | I | A | 0.0000 | |
| 37 | N | A | -2.1401 | |
| 38 | K | A | -1.4231 | |
| 39 | V | A | 0.0000 | |
| 40 | S | A | -1.1317 | |
| 41 | Q | A | -1.4068 | |
| 42 | L | A | -0.8411 | |
| 43 | A | A | -1.0322 | |
| 44 | L | A | 0.0000 | |
| 45 | T | A | 0.0000 | |
| 46 | D | A | 0.0000 | |
| 47 | L | A | 0.0135 | |
| 48 | I | A | 1.3794 | |
| 49 | T | A | -0.3099 | |
| 50 | D | A | -1.3885 | |
| 51 | S | A | -1.5434 | |
| 52 | D | A | -2.3414 | |
| 53 | I | A | -1.1324 | |
| 54 | Q | A | -1.7075 | |
| 55 | G | A | -1.5678 | |
| 56 | I | A | -1.3284 | |
| 57 | D | A | -2.1766 | |
| 58 | Y | A | -0.7417 | |
| 59 | N | A | -1.4768 | |
| 60 | I | A | -1.5005 | |
| 61 | E | A | -2.5839 | |
| 62 | G | A | -2.1219 | |
| 63 | N | A | -1.8115 | |
| 64 | K | A | -1.6546 | |
| 65 | V | A | 0.0000 | |
| 66 | I | A | -0.6850 | |
| 67 | I | A | 0.0000 | |
| 68 | N | A | -1.6646 | |
| 69 | N | A | -1.9682 | |
| 70 | F | A | 0.0000 | |
| 71 | S | A | -1.7310 | |
| 72 | L | A | 0.0000 | |
| 73 | E | A | -2.7648 | |
| 74 | P | A | -2.0191 | |
| 75 | T | A | -0.8599 | |
| 76 | C | A | 0.0000 | |
| 77 | N | A | -0.5470 | |
| 78 | Y | A | 0.0000 | |
| 79 | R | A | -1.0596 | |
| 80 | L | A | 0.0000 | |
| 81 | S | A | -1.0262 | |
| 82 | Y | A | 0.0000 | |
| 83 | E | A | -2.0534 | |
| 84 | V | A | 0.0000 | |
| 85 | I | A | -0.0228 | |
| 86 | D | A | -0.8777 | |
| 87 | I | A | 0.0000 | |
| 88 | Y | A | 0.0461 | |
| 89 | D | A | -1.6872 | |
| 90 | N | A | -1.4017 | |
| 91 | H | A | -1.3526 | |
| 92 | L | A | 0.0000 | |
| 93 | Q | A | -1.5137 | |
| 94 | G | A | -0.7059 | |
| 95 | Y | A | 0.5752 | |
| 96 | I | A | 0.0000 | |
| 97 | E | A | -1.4233 | |
| 98 | F | A | 0.0576 | |
| 99 | L | A | 0.0000 | |
| 100 | V | A | -0.5791 | |
| 101 | G | A | -0.9183 | |
| 102 | G | A | -1.0060 | |
| 103 | G | A | -0.7788 | |
| 104 | G | A | -0.8462 | |
| 105 | S | A | -1.1177 | |
| 106 | G | A | -1.2360 | |
| 107 | G | A | -1.1212 | |
| 108 | G | A | -1.2662 | |
| 109 | G | A | -1.4070 | |
| 110 | S | A | -1.4179 | |
| 111 | G | A | -1.5765 | |
| 112 | G | A | -1.7643 | |
| 113 | G | A | -1.2937 | |
| 114 | G | A | -1.1314 | |
| 115 | S | A | -0.7994 | |
| 116 | A | A | -0.5847 | |
| 117 | N | A | -1.2234 | |
| 118 | L | A | -0.4375 | |
| 119 | N | A | -1.0697 | |
| 120 | G | A | -0.6408 | |
| 121 | T | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | M | A | 0.0000 | |
| 124 | Q | A | 0.0000 | |
| 125 | Y | A | 0.0000 | |
| 126 | F | A | 0.0000 | |
| 127 | E | A | 0.0000 | |
| 128 | W | A | 0.0000 | |
| 129 | Y | A | -0.6059 | |
| 130 | M | A | 0.0000 | |
| 131 | P | A | -1.0570 | |
| 132 | N | A | -1.8947 | |
| 133 | D | A | -1.4599 | |
| 134 | G | A | 0.0000 | |
| 135 | Q | A | -2.2957 | |
| 136 | H | A | 0.0000 | |
| 137 | W | A | 0.0000 | |
| 138 | K | A | -3.0129 | |
| 139 | R | A | -3.0244 | |
| 140 | L | A | 0.0000 | |
| 141 | Q | A | -2.3364 | |
| 142 | N | A | -2.4102 | |
| 143 | D | A | -1.6411 | |
| 144 | S | A | 0.0000 | |
| 145 | A | A | -1.0896 | |
| 146 | Y | A | -0.2098 | |
| 147 | L | A | 0.0000 | |
| 148 | A | A | -0.7665 | |
| 149 | E | A | -1.0222 | |
| 150 | H | A | -0.7907 | |
| 151 | G | A | 0.0000 | |
| 152 | I | A | 0.0000 | |
| 153 | T | A | -0.9241 | |
| 154 | A | A | 0.0000 | |
| 155 | V | A | 0.0000 | |
| 156 | W | A | 0.0000 | |
| 157 | I | A | 0.0000 | |
| 158 | P | A | 0.0000 | |
| 159 | P | A | 0.0000 | |
| 160 | A | A | 0.0000 | |
| 161 | Y | A | 0.0000 | |
| 162 | K | A | 0.0000 | |
| 163 | T | A | 0.0000 | |
| 164 | S | A | -0.8265 | |
| 165 | Q | A | -1.5681 | |
| 166 | A | A | -0.7889 | |
| 167 | D | A | -0.5326 | |
| 168 | V | A | 0.0821 | |
| 169 | G | A | 0.0000 | |
| 170 | Y | A | 0.0000 | |
| 171 | G | A | 0.0000 | |
| 172 | A | A | 0.0000 | |
| 173 | Y | A | 0.0000 | |
| 174 | D | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | Y | A | 0.0000 | |
| 177 | D | A | 0.0000 | |
| 178 | L | A | 0.0000 | |
| 179 | G | A | 0.0000 | |
| 180 | E | A | -0.9735 | |
| 181 | F | A | -0.6584 | |
| 182 | H | A | -1.1073 | |
| 183 | Q | A | 0.0000 | |
| 184 | K | A | -1.2362 | |
| 185 | G | A | -1.0561 | |
| 186 | T | A | -0.9815 | |
| 187 | V | A | -0.4475 | |
| 188 | R | A | -1.5397 | |
| 189 | T | A | 0.0000 | |
| 190 | K | A | 0.0000 | |
| 191 | Y | A | 0.0000 | |
| 192 | G | A | 0.0000 | |
| 193 | T | A | -1.1975 | |
| 194 | K | A | -1.2142 | |
| 195 | G | A | -1.1994 | |
| 196 | E | A | -1.5928 | |
| 197 | L | A | 0.0000 | |
| 198 | Q | A | -1.5213 | |
| 199 | S | A | -1.4276 | |
| 200 | A | A | 0.0000 | |
| 201 | I | A | 0.0000 | |
| 202 | K | A | -2.4159 | |
| 203 | S | A | -1.7670 | |
| 204 | L | A | 0.0000 | |
| 205 | H | A | -1.9522 | |
| 206 | S | A | -1.8569 | |
| 207 | R | A | -1.9566 | |
| 208 | D | A | -2.5025 | |
| 209 | I | A | 0.0000 | |
| 210 | N | A | -1.6243 | |
| 211 | V | A | 0.0000 | |
| 212 | Y | A | 0.0000 | |
| 213 | G | A | 0.0000 | |
| 214 | D | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | N | A | 0.0000 | |
| 219 | H | A | 0.0000 | |
| 220 | K | A | 0.0000 | |
| 221 | G | A | 0.0000 | |
| 222 | G | A | -0.7376 | |
| 223 | A | A | 0.0000 | |
| 224 | D | A | -1.9445 | |
| 225 | A | A | -1.0373 | |
| 226 | T | A | -1.0859 | |
| 227 | E | A | -1.7776 | |
| 228 | D | A | -2.7228 | |
| 229 | V | A | 0.0000 | |
| 230 | T | A | -2.1842 | |
| 231 | A | A | 0.0000 | |
| 232 | V | A | 0.0000 | |
| 233 | E | A | -0.5355 | |
| 234 | V | A | 0.0000 | |
| 235 | D | A | -0.8519 | |
| 236 | P | A | -0.8515 | |
| 237 | A | A | -1.1718 | |
| 238 | D | A | -1.9271 | |
| 239 | R | A | 0.0000 | |
| 240 | N | A | -1.0094 | |
| 241 | R | A | -1.1882 | |
| 242 | V | A | 0.8017 | |
| 243 | I | A | 1.8672 | |
| 244 | S | A | 0.2760 | |
| 245 | G | A | -0.8333 | |
| 246 | E | A | -2.6560 | |
| 247 | H | A | -2.4312 | |
| 248 | R | A | -3.1131 | |
| 249 | I | A | 0.0000 | |
| 250 | K | A | -2.7462 | |
| 251 | A | A | 0.0000 | |
| 252 | W | A | -0.3460 | |
| 253 | T | A | 0.0000 | |
| 254 | H | A | -0.9252 | |
| 255 | F | A | 0.0000 | |
| 256 | H | A | -2.0458 | |
| 257 | F | A | 0.0000 | |
| 258 | P | A | -1.1589 | |
| 259 | G | A | -0.8097 | |
| 260 | R | A | 0.0000 | |
| 261 | G | A | -1.0051 | |
| 262 | S | A | -1.3202 | |
| 263 | T | A | -0.5273 | |
| 264 | Y | A | -0.2265 | |
| 265 | S | A | 0.0000 | |
| 266 | D | A | -2.1447 | |
| 267 | F | A | -1.6088 | |
| 268 | K | A | -2.3729 | |
| 269 | W | A | 0.0000 | |
| 270 | H | A | -0.1247 | |
| 271 | W | A | 0.4385 | |
| 272 | Y | A | 1.1241 | |
| 273 | H | A | 0.0000 | |
| 274 | F | A | 0.0000 | |
| 275 | D | A | -0.5120 | |
| 276 | G | A | 0.0000 | |
| 277 | T | A | 0.0000 | |
| 278 | D | A | -0.2581 | |
| 279 | W | A | -0.7184 | |
| 280 | D | A | 0.0000 | |
| 281 | E | A | -1.9327 | |
| 282 | S | A | -2.4405 | |
| 283 | R | A | -3.0490 | |
| 284 | K | A | -2.9582 | |
| 285 | L | A | -1.8853 | |
| 286 | N | A | -2.1686 | |
| 287 | R | A | -2.2121 | |
| 288 | I | A | 0.0000 | |
| 289 | Y | A | 0.0000 | |
| 290 | K | A | -0.6596 | |
| 291 | F | A | 0.0000 | |
| 292 | Q | A | -1.6316 | |
| 293 | G | A | -1.1870 | |
| 294 | K | A | -0.7418 | |
| 295 | A | A | -0.3293 | |
| 296 | W | A | 0.0223 | |
| 297 | D | A | -0.1454 | |
| 298 | W | A | 0.5868 | |
| 299 | E | A | -0.4555 | |
| 300 | V | A | 0.0000 | |
| 301 | S | A | -1.4393 | |
| 302 | N | A | -2.3882 | |
| 303 | E | A | -2.9912 | |
| 304 | N | A | -2.1171 | |
| 305 | G | A | -1.9041 | |
| 306 | N | A | 0.0000 | |
| 307 | Y | A | 0.0000 | |
| 308 | D | A | 0.0000 | |
| 309 | Y | A | 0.0000 | |
| 310 | L | A | 0.5983 | |
| 311 | M | A | 0.8152 | |
| 312 | Y | A | 0.7363 | |
| 313 | A | A | 0.0000 | |
| 314 | D | A | 0.0000 | |
| 315 | I | A | 0.0000 | |
| 316 | D | A | -0.9357 | |
| 317 | Y | A | 0.0000 | |
| 318 | D | A | -2.2888 | |
| 319 | H | A | -1.4813 | |
| 320 | P | A | -1.4314 | |
| 321 | D | A | -1.7784 | |
| 322 | V | A | 0.0000 | |
| 323 | A | A | -1.3934 | |
| 324 | A | A | -1.2171 | |
| 325 | E | A | 0.0000 | |
| 326 | I | A | 0.0000 | |
| 327 | K | A | -1.6300 | |
| 328 | R | A | -2.0695 | |
| 329 | W | A | 0.0000 | |
| 330 | G | A | 0.0000 | |
| 331 | T | A | 0.0000 | |
| 332 | W | A | -1.1468 | |
| 333 | Y | A | 0.0000 | |
| 334 | A | A | 0.0000 | |
| 335 | N | A | -2.0476 | |
| 336 | E | A | -1.5249 | |
| 337 | L | A | 0.0000 | |
| 338 | Q | A | -2.3294 | |
| 339 | L | A | 0.0000 | |
| 340 | D | A | -1.5639 | |
| 341 | G | A | 0.0000 | |
| 342 | F | A | 0.0000 | |
| 343 | R | A | 0.0000 | |
| 344 | L | A | 0.0000 | |
| 345 | D | A | 0.0000 | |
| 346 | A | A | 0.0000 | |
| 347 | V | A | 0.0000 | |
| 348 | K | A | -0.7282 | |
| 349 | H | A | 0.0000 | |
| 350 | I | A | 0.0000 | |
| 351 | K | A | -0.8481 | |
| 352 | F | A | 0.0000 | |
| 353 | S | A | -1.1365 | |
| 354 | F | A | 0.0000 | |
| 355 | L | A | 0.0000 | |
| 356 | R | A | -1.4122 | |
| 357 | D | A | -1.5749 | |
| 358 | W | A | 0.0000 | |
| 359 | V | A | 0.0000 | |
| 360 | N | A | -1.8466 | |
| 361 | H | A | -2.3985 | |
| 362 | V | A | 0.0000 | |
| 363 | R | A | -3.4411 | |
| 364 | E | A | -3.8287 | |
| 365 | K | A | -3.6007 | |
| 366 | T | A | 0.0000 | |
| 367 | G | A | -3.1314 | |
| 368 | K | A | -3.9008 | |
| 369 | E | A | -3.2491 | |
| 370 | M | A | 0.0000 | |
| 371 | F | A | -0.2076 | |
| 372 | T | A | 0.0000 | |
| 373 | V | A | 0.0000 | |
| 374 | A | A | 0.0000 | |
| 375 | E | A | 0.0000 | |
| 376 | Y | A | 0.0000 | |
| 377 | W | A | 0.0000 | |
| 378 | Q | A | -1.4839 | |
| 379 | N | A | -2.0271 | |
| 380 | D | A | -2.4031 | |
| 381 | L | A | -1.4242 | |
| 382 | G | A | -1.2147 | |
| 383 | A | A | -1.7536 | |
| 384 | L | A | 0.0000 | |
| 385 | E | A | -1.7921 | |
| 386 | N | A | -1.8298 | |
| 387 | Y | A | 0.0000 | |
| 388 | L | A | 0.0000 | |
| 389 | N | A | -1.9412 | |
| 390 | K | A | -1.8293 | |
| 391 | T | A | 0.0000 | |
| 392 | N | A | -0.6360 | |
| 393 | F | A | 1.2917 | |
| 394 | H | A | 0.0000 | |
| 395 | S | A | 0.0000 | |
| 396 | V | A | 0.0000 | |
| 397 | F | A | 0.0000 | |
| 398 | D | A | 0.0000 | |
| 399 | V | A | 0.0000 | |
| 400 | P | A | 0.0000 | |
| 401 | L | A | 0.0000 | |
| 402 | H | A | 0.0000 | |
| 403 | Y | A | -0.2454 | |
| 404 | Q | A | -0.9315 | |
| 405 | F | A | 0.0000 | |
| 406 | H | A | -0.7093 | |
| 407 | A | A | -0.6547 | |
| 408 | A | A | 0.0000 | |
| 409 | S | A | 0.0000 | |
| 410 | T | A | -0.9784 | |
| 411 | Q | A | -1.4833 | |
| 412 | G | A | -1.1063 | |
| 413 | G | A | -1.3849 | |
| 414 | G | A | -1.2950 | |
| 415 | Y | A | -1.4382 | |
| 416 | D | A | -2.0114 | |
| 417 | M | A | 0.0000 | |
| 418 | R | A | -3.2240 | |
| 419 | K | A | -2.9547 | |
| 420 | L | A | 0.0000 | |
| 421 | L | A | -1.5305 | |
| 422 | N | A | -2.3320 | |
| 423 | S | A | -1.6978 | |
| 424 | T | A | 0.0000 | |
| 425 | V | A | 0.0000 | |
| 426 | V | A | 0.0000 | |
| 427 | S | A | -1.0323 | |
| 428 | K | A | -1.6003 | |
| 429 | H | A | -0.6742 | |
| 430 | P | A | -0.0766 | |
| 431 | L | A | 1.1939 | |
| 432 | K | A | 0.4190 | |
| 433 | A | A | 0.0000 | |
| 434 | V | A | 0.0000 | |
| 435 | T | A | 0.0000 | |
| 436 | F | A | 0.0000 | |
| 437 | V | A | 0.0000 | |
| 438 | D | A | 0.0000 | |
| 439 | N | A | 0.0000 | |
| 440 | H | A | 0.0000 | |
| 441 | D | A | -0.5218 | |
| 442 | T | A | 0.0000 | |
| 443 | Q | A | 0.0000 | |
| 444 | P | A | 0.0000 | |
| 445 | G | A | -1.6728 | |
| 446 | Q | A | -0.8142 | |
| 447 | S | A | -0.5888 | |
| 448 | L | A | -0.4155 | |
| 449 | E | A | -0.9877 | |
| 450 | S | A | -0.5910 | |
| 451 | T | A | -0.6047 | |
| 452 | V | A | 0.0000 | |
| 453 | Q | A | -0.9936 | |
| 454 | T | A | -0.3746 | |
| 455 | W | A | -0.0191 | |
| 456 | F | A | 0.0000 | |
| 457 | K | A | 0.0000 | |
| 458 | P | A | 0.0000 | |
| 459 | L | A | 0.0000 | |
| 460 | A | A | 0.0000 | |
| 461 | Y | A | 0.0000 | |
| 462 | A | A | 0.0000 | |
| 463 | F | A | 0.0000 | |
| 464 | I | A | 0.0000 | |
| 465 | L | A | 0.0000 | |
| 466 | T | A | 0.0000 | |
| 467 | R | A | -1.1083 | |
| 468 | E | A | -1.3833 | |
| 469 | S | A | -0.6577 | |
| 470 | G | A | -0.0799 | |
| 471 | Y | A | 0.1599 | |
| 472 | P | A | 0.0000 | |
| 473 | Q | A | 0.0000 | |
| 474 | V | A | 0.0000 | |
| 475 | F | A | 0.0000 | |
| 476 | Y | A | 0.2470 | |
| 477 | G | A | 0.0000 | |
| 478 | D | A | 0.0000 | |
| 479 | M | A | 0.0000 | |
| 480 | Y | A | -0.1907 | |
| 481 | G | A | -0.7005 | |
| 482 | T | A | -1.5977 | |
| 483 | K | A | -2.3700 | |
| 484 | G | A | -2.6881 | |
| 485 | D | A | -3.3094 | |
| 486 | S | A | -3.0010 | |
| 487 | Q | A | -3.1484 | |
| 488 | R | A | -3.7481 | |
| 489 | E | A | -3.9259 | |
| 490 | I | A | 0.0000 | |
| 491 | P | A | -1.1083 | |
| 492 | A | A | -0.7307 | |
| 493 | L | A | 0.0000 | |
| 494 | K | A | -1.9423 | |
| 495 | H | A | -2.2148 | |
| 496 | K | A | -2.2555 | |
| 497 | I | A | 0.0000 | |
| 498 | E | A | -1.9662 | |
| 499 | P | A | -1.3883 | |
| 500 | I | A | 0.0000 | |
| 501 | L | A | 0.0000 | |
| 502 | K | A | -1.5331 | |
| 503 | A | A | 0.0000 | |
| 504 | R | A | 0.0000 | |
| 505 | K | A | -1.1985 | |
| 506 | Q | A | -1.4265 | |
| 507 | Y | A | 0.0000 | |
| 508 | A | A | 0.0000 | |
| 509 | Y | A | -0.7247 | |
| 510 | G | A | -0.5879 | |
| 511 | A | A | -0.4926 | |
| 512 | Q | A | -0.9527 | |
| 513 | H | A | -1.0920 | |
| 514 | D | A | -1.4544 | |
| 515 | Y | A | 0.0000 | |
| 516 | F | A | -2.1211 | |
| 517 | D | A | -2.7729 | |
| 518 | H | A | -2.6731 | |
| 519 | H | A | -2.7043 | |
| 520 | D | A | -1.9912 | |
| 521 | I | A | 0.0000 | |
| 522 | V | A | 0.0000 | |
| 523 | G | A | 0.0000 | |
| 524 | W | A | 0.0000 | |
| 525 | T | A | 0.0000 | |
| 526 | R | A | 0.0000 | |
| 527 | E | A | -0.8511 | |
| 528 | G | A | -1.1011 | |
| 529 | D | A | -0.9948 | |
| 530 | S | A | -0.7827 | |
| 531 | S | A | -0.3471 | |
| 532 | V | A | -0.2622 | |
| 533 | A | A | -0.6803 | |
| 534 | N | A | -1.6805 | |
| 535 | S | A | 0.0000 | |
| 536 | G | A | 0.0000 | |
| 537 | L | A | 0.0000 | |
| 538 | A | A | 0.0000 | |
| 539 | A | A | 0.0000 | |
| 540 | L | A | 0.0000 | |
| 541 | I | A | 0.0000 | |
| 542 | T | A | 0.0000 | |
| 543 | D | A | 0.0000 | |
| 544 | G | A | 0.0000 | |
| 545 | P | A | -1.1954 | |
| 546 | G | A | -1.5525 | |
| 547 | G | A | -1.1313 | |
| 548 | A | A | -1.4864 | |
| 549 | K | A | -2.1480 | |
| 550 | R | A | -2.6796 | |
| 551 | M | A | 0.0000 | |
| 552 | Y | A | -1.2216 | |
| 553 | V | A | 0.0000 | |
| 554 | G | A | 0.0000 | |
| 555 | R | A | -3.0061 | |
| 556 | Q | A | -2.1888 | |
| 557 | N | A | 0.0000 | |
| 558 | A | A | -1.7029 | |
| 559 | G | A | -1.1348 | |
| 560 | E | A | -0.7765 | |
| 561 | T | A | -0.3427 | |
| 562 | W | A | 0.0000 | |
| 563 | H | A | -1.3505 | |
| 564 | D | A | -1.6170 | |
| 565 | I | A | -0.7329 | |
| 566 | T | A | -1.2141 | |
| 567 | G | A | -1.7989 | |
| 568 | N | A | -2.4370 | |
| 569 | R | A | -2.6088 | |
| 570 | S | A | -2.1470 | |
| 571 | E | A | -2.4421 | |
| 572 | P | A | -1.3906 | |
| 573 | V | A | 0.0000 | |
| 574 | V | A | 0.6590 | |
| 575 | I | A | 0.0000 | |
| 576 | N | A | -1.8993 | |
| 577 | S | A | -2.0514 | |
| 578 | E | A | -2.8698 | |
| 579 | G | A | 0.0000 | |
| 580 | W | A | -1.4847 | |
| 581 | G | A | 0.0000 | |
| 582 | E | A | -2.4943 | |
| 583 | F | A | 0.0000 | |
| 584 | H | A | -2.1452 | |
| 585 | V | A | 0.0000 | |
| 586 | N | A | -2.2229 | |
| 587 | G | A | -1.4454 | |
| 588 | G | A | -0.8821 | |
| 589 | S | A | -0.9395 | |
| 590 | V | A | 0.0000 | |
| 591 | S | A | 0.0000 | |
| 592 | I | A | 0.0000 | |
| 593 | Y | A | 0.0000 | |
| 594 | V | A | 0.0000 | |
| 595 | Q | A | -1.3479 | |
| 596 | R | A | -2.3020 |
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 | -0.6888 | 3.4766 | View | CSV | PDB |
| 4.5 | -0.7418 | 3.4572 | View | CSV | PDB |
| 5.0 | -0.8058 | 3.4358 | View | CSV | PDB |
| 5.5 | -0.8686 | 3.4163 | View | CSV | PDB |
| 6.0 | -0.9185 | 3.4035 | View | CSV | PDB |
| 6.5 | -0.9492 | 3.4021 | View | CSV | PDB |
| 7.0 | -0.9628 | 3.4118 | View | CSV | PDB |
| 7.5 | -0.9663 | 3.4284 | View | CSV | PDB |
| 8.0 | -0.964 | 3.4484 | View | CSV | PDB |
| 8.5 | -0.956 | 3.4719 | View | CSV | PDB |
| 9.0 | -0.9403 | 3.5005 | 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