| Chain sequence(s) |
A: SLFLIESEPSTGASVSKNLTEIILIFSNDINKVSQLALTDLITDSDIQGIDYNIEGNKVIINNFSLEPTCNYRLSYEVIDIYDNHLQGYIEFLVGGGGSGGGGSGGGGSANLNGTLMQYFEWYMPNDGQHWKRLQNDSAYLAEHGITAVWIPPAYKTSQADVGYGAYDLYDLGEFHQKGTVRTKYGTKGELQSAIKSLHSRDINVYGDVVINHKGGADATEDVTAVEVDPADRNRVISGEHRIKAWTHFHFPGRGSTYSDFKWHWYHFDGTDWDESRKLNRIYKFQGKAWDWEVSNENGNYDYLMYADIDYDHPDVAAEIKRWGTWYANELQLDGFRLDAVKHIKFSFLRDWVNHVREKTGKEMFTVAEYWQNDLGALENYLNKTNFHSVFDVPLHYQFHAASTQGGGYDMRKLLNSTVVSKHPLKAVTFVDNHDTQPGQSLESTVQTWFKPLAYAFILTRESGYPQVFYGDMYGTKGDSQREIPALKHKIEPILKARKQYAYGAQHDYFDHHDIVGWTREGDSSVANSGLAALITDGPGGAKRMYVGRQNAGETWHDITGNRSEPVVINSEGWGEFHVNGGSVSIYVQRHHHHHH
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 (00:05:51)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/bb4c903acb4848/tmp/folded.pdb (00:05:51)
[INFO] Main: Simulation completed successfully. (00:10:19)
|
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 | S | A | -0.0789 | |
| 2 | L | A | 0.0000 | |
| 3 | F | A | 1.9207 | |
| 4 | L | A | 1.4571 | |
| 5 | I | A | 1.7283 | |
| 6 | E | A | -0.9289 | |
| 7 | S | A | -1.3169 | |
| 8 | E | A | -2.1966 | |
| 9 | P | A | 0.0000 | |
| 10 | S | A | -1.2354 | |
| 11 | T | A | -1.1121 | |
| 12 | G | A | -0.8921 | |
| 13 | A | A | -0.9110 | |
| 14 | S | A | -0.9621 | |
| 15 | V | A | -0.7149 | |
| 16 | S | A | -1.3562 | |
| 17 | K | A | -2.0942 | |
| 18 | N | A | -2.2335 | |
| 19 | L | A | -1.3977 | |
| 20 | T | A | -1.4845 | |
| 21 | E | A | -1.7716 | |
| 22 | I | A | 0.0000 | |
| 23 | I | A | -0.8930 | |
| 24 | L | A | 0.0000 | |
| 25 | I | A | -0.3330 | |
| 26 | F | A | 0.0000 | |
| 27 | S | A | 0.2562 | |
| 28 | N | A | -0.5693 | |
| 29 | D | A | -2.0260 | |
| 30 | I | A | 0.0000 | |
| 31 | N | A | -1.9922 | |
| 32 | K | A | -2.3413 | |
| 33 | V | A | 0.0000 | |
| 34 | S | A | -1.1461 | |
| 35 | Q | A | -1.3098 | |
| 36 | L | A | -0.3315 | |
| 37 | A | A | -0.6594 | |
| 38 | L | A | 0.0000 | |
| 39 | T | A | -1.4067 | |
| 40 | D | A | -0.9538 | |
| 41 | L | A | 0.0336 | |
| 42 | I | A | 1.5077 | |
| 43 | T | A | -0.2102 | |
| 44 | D | A | -1.6847 | |
| 45 | S | A | -1.5776 | |
| 46 | D | A | -2.3936 | |
| 47 | I | A | -1.1993 | |
| 48 | Q | A | -1.6890 | |
| 49 | G | A | -1.3673 | |
| 50 | I | A | -1.2409 | |
| 51 | D | A | -1.9571 | |
| 52 | Y | A | -0.6234 | |
| 53 | N | A | -1.5652 | |
| 54 | I | A | -1.7394 | |
| 55 | E | A | -2.8688 | |
| 56 | G | A | -1.9938 | |
| 57 | N | A | -2.1460 | |
| 58 | K | A | -1.9901 | |
| 59 | V | A | 0.0000 | |
| 60 | I | A | -0.9410 | |
| 61 | I | A | 0.0000 | |
| 62 | N | A | -1.7358 | |
| 63 | N | A | -2.1153 | |
| 64 | F | A | 0.0000 | |
| 65 | S | A | -1.5850 | |
| 66 | L | A | 0.0000 | |
| 67 | E | A | -2.4153 | |
| 68 | P | A | -1.6506 | |
| 69 | T | A | -0.5649 | |
| 70 | C | A | 0.0000 | |
| 71 | N | A | -0.4239 | |
| 72 | Y | A | 0.0000 | |
| 73 | R | A | -1.2450 | |
| 74 | L | A | 0.0000 | |
| 75 | S | A | -0.3550 | |
| 76 | Y | A | 0.0000 | |
| 77 | E | A | -1.2266 | |
| 78 | V | A | 0.0000 | |
| 79 | I | A | 0.0000 | |
| 80 | D | A | 0.0000 | |
| 81 | I | A | 0.6922 | |
| 82 | Y | A | 0.6195 | |
| 83 | D | A | -1.3935 | |
| 84 | N | A | -1.0317 | |
| 85 | H | A | -1.4719 | |
| 86 | L | A | -0.8137 | |
| 87 | Q | A | -1.1249 | |
| 88 | G | A | 0.0550 | |
| 89 | Y | A | 0.4419 | |
| 90 | I | A | 0.0000 | |
| 91 | E | A | -0.9966 | |
| 92 | F | A | 0.0000 | |
| 93 | L | A | -0.6797 | |
| 94 | V | A | 0.0000 | |
| 95 | G | A | -1.3619 | |
| 96 | G | A | -1.5878 | |
| 97 | G | A | -1.4628 | |
| 98 | G | A | -1.1006 | |
| 99 | S | A | -0.9773 | |
| 100 | G | A | -1.1663 | |
| 101 | G | A | -1.3245 | |
| 102 | G | A | -1.2847 | |
| 103 | G | A | -1.2593 | |
| 104 | S | A | -1.1414 | |
| 105 | G | A | -1.1575 | |
| 106 | G | A | -1.2219 | |
| 107 | G | A | -1.1779 | |
| 108 | G | A | -1.3086 | |
| 109 | S | A | -0.9808 | |
| 110 | A | A | -0.5041 | |
| 111 | N | A | -0.6890 | |
| 112 | L | A | 0.5423 | |
| 113 | N | A | -0.3797 | |
| 114 | G | A | -0.3407 | |
| 115 | T | A | 0.0000 | |
| 116 | L | A | 0.0000 | |
| 117 | M | A | 0.0000 | |
| 118 | Q | A | 0.0000 | |
| 119 | Y | A | 0.0000 | |
| 120 | F | A | 0.0000 | |
| 121 | E | A | 0.0000 | |
| 122 | W | A | 0.0526 | |
| 123 | Y | A | -0.5308 | |
| 124 | M | A | 0.0000 | |
| 125 | P | A | -0.9246 | |
| 126 | N | A | -1.6417 | |
| 127 | D | A | -1.2300 | |
| 128 | G | A | 0.0000 | |
| 129 | Q | A | -1.7078 | |
| 130 | H | A | 0.0000 | |
| 131 | W | A | 0.0000 | |
| 132 | K | A | -2.4279 | |
| 133 | R | A | -2.9442 | |
| 134 | L | A | 0.0000 | |
| 135 | Q | A | -2.1387 | |
| 136 | N | A | -2.2660 | |
| 137 | D | A | -1.4963 | |
| 138 | S | A | 0.0000 | |
| 139 | A | A | -0.9068 | |
| 140 | Y | A | 0.0298 | |
| 141 | L | A | 0.0000 | |
| 142 | A | A | -1.2958 | |
| 143 | E | A | -2.0149 | |
| 144 | H | A | -1.4378 | |
| 145 | G | A | 0.0000 | |
| 146 | I | A | 0.0000 | |
| 147 | T | A | -1.3534 | |
| 148 | A | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | W | A | 0.0000 | |
| 151 | I | A | 0.0000 | |
| 152 | P | A | 0.0000 | |
| 153 | P | A | 0.0000 | |
| 154 | A | A | 0.0000 | |
| 155 | Y | A | 0.0000 | |
| 156 | K | A | 0.0000 | |
| 157 | T | A | 0.0000 | |
| 158 | S | A | -0.8536 | |
| 159 | Q | A | -1.6370 | |
| 160 | A | A | -0.8116 | |
| 161 | D | A | -0.4279 | |
| 162 | V | A | -0.0061 | |
| 163 | G | A | 0.0000 | |
| 164 | Y | A | 0.2987 | |
| 165 | G | A | 0.0000 | |
| 166 | A | A | 0.0000 | |
| 167 | Y | A | 0.0000 | |
| 168 | D | A | 0.0000 | |
| 169 | L | A | 0.0000 | |
| 170 | Y | A | 0.0000 | |
| 171 | D | A | 0.0000 | |
| 172 | L | A | 0.0000 | |
| 173 | G | A | 0.0000 | |
| 174 | E | A | -0.6843 | |
| 175 | F | A | -0.3652 | |
| 176 | H | A | -0.8183 | |
| 177 | Q | A | 0.0000 | |
| 178 | K | A | -1.4528 | |
| 179 | G | A | -1.0665 | |
| 180 | T | A | -0.5079 | |
| 181 | V | A | 0.6172 | |
| 182 | R | A | -0.6021 | |
| 183 | T | A | 0.0000 | |
| 184 | K | A | 0.0000 | |
| 185 | Y | A | 0.0000 | |
| 186 | G | A | 0.0000 | |
| 187 | T | A | -0.7438 | |
| 188 | K | A | -1.0833 | |
| 189 | G | A | -1.0386 | |
| 190 | E | A | -1.2407 | |
| 191 | L | A | 0.0000 | |
| 192 | Q | A | -1.4406 | |
| 193 | S | A | -1.3110 | |
| 194 | A | A | 0.0000 | |
| 195 | I | A | 0.0000 | |
| 196 | K | A | -2.5954 | |
| 197 | S | A | -2.0144 | |
| 198 | L | A | 0.0000 | |
| 199 | H | A | -2.5421 | |
| 200 | S | A | -2.2336 | |
| 201 | R | A | -3.0713 | |
| 202 | D | A | -3.1182 | |
| 203 | I | A | 0.0000 | |
| 204 | N | A | -1.8836 | |
| 205 | V | A | 0.0000 | |
| 206 | Y | A | 0.0000 | |
| 207 | G | A | 0.0000 | |
| 208 | D | A | 0.0000 | |
| 209 | V | A | 0.0000 | |
| 210 | V | A | 0.0000 | |
| 211 | I | A | 0.0000 | |
| 212 | N | A | 0.0000 | |
| 213 | H | A | 0.0000 | |
| 214 | K | A | 0.0000 | |
| 215 | G | A | 0.0720 | |
| 216 | G | A | -0.5038 | |
| 217 | A | A | 0.0000 | |
| 218 | D | A | -1.1195 | |
| 219 | A | A | -0.7462 | |
| 220 | T | A | -0.9673 | |
| 221 | E | A | -1.6625 | |
| 222 | D | A | -1.9141 | |
| 223 | V | A | 0.0000 | |
| 224 | T | A | -2.2524 | |
| 225 | A | A | 0.0000 | |
| 226 | V | A | 0.0000 | |
| 227 | E | A | 0.0000 | |
| 228 | V | A | 0.0000 | |
| 229 | D | A | -1.1342 | |
| 230 | P | A | -1.1032 | |
| 231 | A | A | -1.3259 | |
| 232 | D | A | -2.1396 | |
| 233 | R | A | 0.0000 | |
| 234 | N | A | -1.0687 | |
| 235 | R | A | -1.1806 | |
| 236 | V | A | 1.0030 | |
| 237 | I | A | 1.7127 | |
| 238 | S | A | 0.2769 | |
| 239 | G | A | -0.8696 | |
| 240 | E | A | -2.7830 | |
| 241 | H | A | -2.6889 | |
| 242 | R | A | -3.1057 | |
| 243 | I | A | 0.0000 | |
| 244 | K | A | -2.2736 | |
| 245 | A | A | 0.0000 | |
| 246 | W | A | -0.2319 | |
| 247 | T | A | 0.0000 | |
| 248 | H | A | -0.7271 | |
| 249 | F | A | 0.0000 | |
| 250 | H | A | -1.4167 | |
| 251 | F | A | 0.0000 | |
| 252 | P | A | -0.8946 | |
| 253 | G | A | -0.9007 | |
| 254 | R | A | 0.0000 | |
| 255 | G | A | -0.8377 | |
| 256 | S | A | -1.2144 | |
| 257 | T | A | -0.4535 | |
| 258 | Y | A | -0.1950 | |
| 259 | S | A | -1.2366 | |
| 260 | D | A | -2.2588 | |
| 261 | F | A | 0.0000 | |
| 262 | K | A | -2.0296 | |
| 263 | W | A | 0.0000 | |
| 264 | H | A | -0.3211 | |
| 265 | W | A | 0.3766 | |
| 266 | Y | A | 1.0535 | |
| 267 | H | A | -0.2809 | |
| 268 | F | A | 0.0000 | |
| 269 | D | A | -0.5020 | |
| 270 | G | A | 0.0000 | |
| 271 | T | A | 0.0000 | |
| 272 | D | A | -0.4520 | |
| 273 | W | A | -1.0583 | |
| 274 | D | A | 0.0000 | |
| 275 | E | A | -1.9271 | |
| 276 | S | A | -1.9534 | |
| 277 | R | A | -2.3947 | |
| 278 | K | A | -2.7896 | |
| 279 | L | A | -1.9183 | |
| 280 | N | A | -2.1199 | |
| 281 | R | A | -1.9241 | |
| 282 | I | A | 0.0000 | |
| 283 | Y | A | 0.0000 | |
| 284 | K | A | -0.6988 | |
| 285 | F | A | 0.0000 | |
| 286 | Q | A | -2.2420 | |
| 287 | G | A | -1.0120 | |
| 288 | K | A | -0.7584 | |
| 289 | A | A | -0.2884 | |
| 290 | W | A | 0.0720 | |
| 291 | D | A | -0.3969 | |
| 292 | W | A | 0.3287 | |
| 293 | E | A | -1.0019 | |
| 294 | V | A | 0.0000 | |
| 295 | S | A | 0.0000 | |
| 296 | N | A | -2.4379 | |
| 297 | E | A | -2.9642 | |
| 298 | N | A | -2.2598 | |
| 299 | G | A | -2.0285 | |
| 300 | N | A | 0.0000 | |
| 301 | Y | A | -0.5477 | |
| 302 | D | A | 0.0000 | |
| 303 | Y | A | 0.0000 | |
| 304 | L | A | 0.7764 | |
| 305 | M | A | 0.5505 | |
| 306 | Y | A | 0.5274 | |
| 307 | A | A | 0.0000 | |
| 308 | D | A | 0.0000 | |
| 309 | I | A | 0.0000 | |
| 310 | D | A | 0.0000 | |
| 311 | Y | A | 0.0000 | |
| 312 | D | A | -2.3405 | |
| 313 | H | A | -1.6471 | |
| 314 | P | A | -1.5867 | |
| 315 | D | A | -1.9145 | |
| 316 | V | A | 0.0000 | |
| 317 | A | A | -1.4607 | |
| 318 | A | A | -1.0941 | |
| 319 | E | A | 0.0000 | |
| 320 | I | A | 0.0000 | |
| 321 | K | A | -1.5623 | |
| 322 | R | A | -1.7395 | |
| 323 | W | A | 0.0000 | |
| 324 | G | A | 0.0000 | |
| 325 | T | A | -1.4836 | |
| 326 | W | A | -0.9427 | |
| 327 | Y | A | 0.0000 | |
| 328 | A | A | 0.0000 | |
| 329 | N | A | -1.6775 | |
| 330 | E | A | -1.2142 | |
| 331 | L | A | 0.0000 | |
| 332 | Q | A | -1.8759 | |
| 333 | L | A | 0.0000 | |
| 334 | D | A | -1.0816 | |
| 335 | G | A | 0.0000 | |
| 336 | F | A | 0.0000 | |
| 337 | R | A | 0.0000 | |
| 338 | L | A | 0.0000 | |
| 339 | D | A | -0.3754 | |
| 340 | A | A | -0.1125 | |
| 341 | V | A | 0.0000 | |
| 342 | K | A | -0.7581 | |
| 343 | H | A | 0.0000 | |
| 344 | I | A | 0.0000 | |
| 345 | K | A | -1.1551 | |
| 346 | F | A | 0.0000 | |
| 347 | S | A | -1.3719 | |
| 348 | F | A | 0.0000 | |
| 349 | L | A | 0.0000 | |
| 350 | R | A | -1.8587 | |
| 351 | D | A | -1.9924 | |
| 352 | W | A | 0.0000 | |
| 353 | V | A | 0.0000 | |
| 354 | N | A | -2.0012 | |
| 355 | H | A | -2.3492 | |
| 356 | V | A | 0.0000 | |
| 357 | R | A | -2.9372 | |
| 358 | E | A | -3.5441 | |
| 359 | K | A | -3.3349 | |
| 360 | T | A | -2.5525 | |
| 361 | G | A | -2.6078 | |
| 362 | K | A | -2.7227 | |
| 363 | E | A | -2.6815 | |
| 364 | M | A | 0.0000 | |
| 365 | F | A | -0.0986 | |
| 366 | T | A | 0.0000 | |
| 367 | V | A | 0.0000 | |
| 368 | A | A | 0.0000 | |
| 369 | E | A | 0.0000 | |
| 370 | Y | A | 0.0000 | |
| 371 | W | A | -0.4354 | |
| 372 | Q | A | -1.3105 | |
| 373 | N | A | -1.8301 | |
| 374 | D | A | -2.0535 | |
| 375 | L | A | -1.2771 | |
| 376 | G | A | -1.0437 | |
| 377 | A | A | -1.5943 | |
| 378 | L | A | 0.0000 | |
| 379 | E | A | -2.0232 | |
| 380 | N | A | -2.0931 | |
| 381 | Y | A | 0.0000 | |
| 382 | L | A | 0.0000 | |
| 383 | N | A | -2.6443 | |
| 384 | K | A | -2.8201 | |
| 385 | T | A | 0.0000 | |
| 386 | N | A | -1.9640 | |
| 387 | F | A | -0.3351 | |
| 388 | H | A | 0.0000 | |
| 389 | S | A | 0.0000 | |
| 390 | V | A | 0.0000 | |
| 391 | F | A | 0.0000 | |
| 392 | D | A | 0.0000 | |
| 393 | V | A | 0.0000 | |
| 394 | P | A | 0.0000 | |
| 395 | L | A | 0.0000 | |
| 396 | H | A | 0.0000 | |
| 397 | Y | A | -0.0634 | |
| 398 | Q | A | -0.7004 | |
| 399 | F | A | 0.0000 | |
| 400 | H | A | -0.6212 | |
| 401 | A | A | -0.5639 | |
| 402 | A | A | 0.0000 | |
| 403 | S | A | 0.0000 | |
| 404 | T | A | -0.9574 | |
| 405 | Q | A | -1.4656 | |
| 406 | G | A | -1.0558 | |
| 407 | G | A | -1.2035 | |
| 408 | G | A | -1.1076 | |
| 409 | Y | A | -1.2127 | |
| 410 | D | A | -1.5975 | |
| 411 | M | A | 0.0000 | |
| 412 | R | A | -2.5413 | |
| 413 | K | A | -2.5291 | |
| 414 | L | A | 0.0000 | |
| 415 | L | A | -1.3073 | |
| 416 | N | A | -2.1742 | |
| 417 | S | A | -1.5197 | |
| 418 | T | A | 0.0000 | |
| 419 | V | A | 0.0000 | |
| 420 | V | A | 0.0000 | |
| 421 | S | A | -1.0872 | |
| 422 | K | A | -1.8754 | |
| 423 | H | A | -0.9167 | |
| 424 | P | A | -0.3209 | |
| 425 | L | A | 0.7285 | |
| 426 | K | A | -0.3515 | |
| 427 | A | A | 0.0000 | |
| 428 | V | A | 0.0000 | |
| 429 | T | A | 0.0000 | |
| 430 | F | A | 0.0000 | |
| 431 | V | A | 0.0000 | |
| 432 | D | A | 0.0000 | |
| 433 | N | A | 0.0000 | |
| 434 | H | A | -0.1724 | |
| 435 | D | A | -0.5057 | |
| 436 | T | A | 0.0000 | |
| 437 | Q | A | 0.0000 | |
| 438 | P | A | 0.0000 | |
| 439 | G | A | -1.2059 | |
| 440 | Q | A | -0.7521 | |
| 441 | S | A | -0.5308 | |
| 442 | L | A | -0.3379 | |
| 443 | E | A | -1.2246 | |
| 444 | S | A | 0.0000 | |
| 445 | T | A | -0.6674 | |
| 446 | V | A | 0.0000 | |
| 447 | Q | A | -0.9721 | |
| 448 | T | A | -0.3754 | |
| 449 | W | A | -0.0012 | |
| 450 | F | A | 0.0000 | |
| 451 | K | A | 0.0000 | |
| 452 | P | A | 0.0000 | |
| 453 | L | A | 0.0000 | |
| 454 | A | A | 0.0000 | |
| 455 | Y | A | 0.0000 | |
| 456 | A | A | 0.0000 | |
| 457 | F | A | 0.0000 | |
| 458 | I | A | 0.0000 | |
| 459 | L | A | 0.0000 | |
| 460 | T | A | 0.0000 | |
| 461 | R | A | 0.0000 | |
| 462 | E | A | -1.2410 | |
| 463 | S | A | -0.6624 | |
| 464 | G | A | 0.0142 | |
| 465 | Y | A | 0.2203 | |
| 466 | P | A | 0.0000 | |
| 467 | Q | A | 0.0000 | |
| 468 | V | A | 0.0000 | |
| 469 | F | A | 0.0000 | |
| 470 | Y | A | 0.1841 | |
| 471 | G | A | 0.0000 | |
| 472 | D | A | 0.0000 | |
| 473 | M | A | 0.0000 | |
| 474 | Y | A | 0.0365 | |
| 475 | G | A | -0.6994 | |
| 476 | T | A | 0.0000 | |
| 477 | K | A | -2.6761 | |
| 478 | G | A | -2.7027 | |
| 479 | D | A | -3.0375 | |
| 480 | S | A | -2.8453 | |
| 481 | Q | A | -2.7278 | |
| 482 | R | A | -3.2056 | |
| 483 | E | A | -3.6654 | |
| 484 | I | A | 0.0000 | |
| 485 | P | A | -1.0843 | |
| 486 | A | A | -0.6856 | |
| 487 | L | A | 0.0000 | |
| 488 | K | A | -1.9052 | |
| 489 | H | A | -2.2104 | |
| 490 | K | A | -2.1388 | |
| 491 | I | A | 0.0000 | |
| 492 | E | A | -2.4062 | |
| 493 | P | A | -1.5489 | |
| 494 | I | A | 0.0000 | |
| 495 | L | A | 0.0000 | |
| 496 | K | A | -2.0023 | |
| 497 | A | A | 0.0000 | |
| 498 | R | A | 0.0000 | |
| 499 | K | A | -1.6021 | |
| 500 | Q | A | -0.9704 | |
| 501 | Y | A | -0.7400 | |
| 502 | A | A | 0.0000 | |
| 503 | Y | A | 0.0000 | |
| 504 | G | A | -0.7797 | |
| 505 | A | A | -0.6266 | |
| 506 | Q | A | -1.1200 | |
| 507 | H | A | -1.2915 | |
| 508 | D | A | -1.7967 | |
| 509 | Y | A | -1.5464 | |
| 510 | F | A | -1.7476 | |
| 511 | D | A | -2.5436 | |
| 512 | H | A | -2.1978 | |
| 513 | H | A | -2.0504 | |
| 514 | D | A | -1.4244 | |
| 515 | I | A | 0.0000 | |
| 516 | V | A | 0.0000 | |
| 517 | G | A | 0.0000 | |
| 518 | W | A | 0.0000 | |
| 519 | T | A | 0.0000 | |
| 520 | R | A | 0.0000 | |
| 521 | E | A | -1.0391 | |
| 522 | G | A | -1.1943 | |
| 523 | D | A | -1.1355 | |
| 524 | S | A | -0.7746 | |
| 525 | S | A | -0.4509 | |
| 526 | V | A | -0.1248 | |
| 527 | A | A | -0.4213 | |
| 528 | N | A | -1.0064 | |
| 529 | S | A | 0.0000 | |
| 530 | G | A | 0.0000 | |
| 531 | L | A | 0.0000 | |
| 532 | A | A | 0.0000 | |
| 533 | A | A | 0.0000 | |
| 534 | L | A | 0.0000 | |
| 535 | I | A | 0.0000 | |
| 536 | T | A | 0.0000 | |
| 537 | D | A | 0.0000 | |
| 538 | G | A | 0.0000 | |
| 539 | P | A | -0.8212 | |
| 540 | G | A | -0.8595 | |
| 541 | G | A | -0.7658 | |
| 542 | A | A | -1.3639 | |
| 543 | K | A | -2.1730 | |
| 544 | R | A | -2.7162 | |
| 545 | M | A | 0.0000 | |
| 546 | Y | A | -1.2625 | |
| 547 | V | A | 0.0000 | |
| 548 | G | A | 0.0000 | |
| 549 | R | A | -3.1567 | |
| 550 | Q | A | -2.6375 | |
| 551 | N | A | 0.0000 | |
| 552 | A | A | -1.7054 | |
| 553 | G | A | -1.0468 | |
| 554 | E | A | -0.8690 | |
| 555 | T | A | -0.4968 | |
| 556 | W | A | 0.0000 | |
| 557 | H | A | -1.0528 | |
| 558 | D | A | -1.1988 | |
| 559 | I | A | -0.5424 | |
| 560 | T | A | -1.0243 | |
| 561 | G | A | -1.3442 | |
| 562 | N | A | -1.6534 | |
| 563 | R | A | -1.7099 | |
| 564 | S | A | -1.3940 | |
| 565 | E | A | -1.3792 | |
| 566 | P | A | -1.0167 | |
| 567 | V | A | 0.0000 | |
| 568 | V | A | 0.8633 | |
| 569 | I | A | 0.0000 | |
| 570 | N | A | -1.5083 | |
| 571 | S | A | -1.9197 | |
| 572 | E | A | -2.7733 | |
| 573 | G | A | 0.0000 | |
| 574 | W | A | -1.3273 | |
| 575 | G | A | 0.0000 | |
| 576 | E | A | -2.4939 | |
| 577 | F | A | 0.0000 | |
| 578 | H | A | -1.6527 | |
| 579 | V | A | 0.0000 | |
| 580 | N | A | -1.1336 | |
| 581 | G | A | -0.8727 | |
| 582 | G | A | -0.5514 | |
| 583 | S | A | -0.5842 | |
| 584 | V | A | 0.0000 | |
| 585 | S | A | 0.0000 | |
| 586 | I | A | 0.0000 | |
| 587 | Y | A | 0.0000 | |
| 588 | V | A | 0.0000 | |
| 589 | Q | A | -1.3060 | |
| 590 | R | A | -2.9609 | |
| 591 | H | A | -2.9558 | |
| 592 | H | A | -2.8465 | |
| 593 | H | A | -2.7001 | |
| 594 | H | A | -2.6116 | |
| 595 | H | A | -2.3292 | |
| 596 | H | A | -1.6875 |
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 | -0.651 | 4.09 | View | CSV | PDB |
| 4.5 | -0.7024 | 4.0621 | View | CSV | PDB |
| 5.0 | -0.765 | 4.0235 | View | CSV | PDB |
| 5.5 | -0.8261 | 3.987 | View | CSV | PDB |
| 6.0 | -0.8737 | 3.9634 | View | CSV | PDB |
| 6.5 | -0.9021 | 3.9527 | View | CSV | PDB |
| 7.0 | -0.9145 | 3.9487 | View | CSV | PDB |
| 7.5 | -0.9173 | 3.9472 | View | CSV | PDB |
| 8.0 | -0.9146 | 3.9467 | View | CSV | PDB |
| 8.5 | -0.9064 | 3.9465 | View | CSV | PDB |
| 9.0 | -0.8913 | 3.9465 | 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