| Chain sequence(s) |
A: SGAGKAIGVLTSGGDAQGMNAAVRAVVRMGIYVGAKVYFIYEGYQGMVDGGSNIAEADWESVSSILQVGGTIIGSARCQAFRTREGRLKAACNLLQRGITNLCVIGGDGSLTGANLFRKEWSGLLEELARNGQIDKEAVQKYAYLNVVGMVGSIDNDFCGTDMTIGTDSALHRIIEVVDAIMTTAQSHQRTFVLEVMGRHCGYLALVSALACGADWVFLPESPPEEGWEEQMCVKLSENRARKKRLNIIIVAEGAIDTQNKPITSEKIKELVVTQLGYDTRVTILGHVQRGGTPSAFDRILASRMGVEAVIALLEATPDTPACVVSLNGNHAVRLPLMECVQMTQDVQKAMDERRFQDAVRLRGRSFAGNLNTYKRLAIKLPDDQIPKTNCNVAVINVGAPAAGMNAAVRSAVRVGIADGHRMLAIYDGFDGFAKGQIKEIGWTDVGGWTGQGGSILGTKRVLPGKYLEEIATQMRTHSINALLIIGGFEAYLGLLELSAAREKHEEFCVPMVMVPATVSNNVPGSDFSIGADTALNTITDTCNRIKQSASGTKRRVFIIETMGGYCGYLANMGGLAAGADAAYIFEEPFDIRDLQSNVEHLTEKMKTTIQRGLVLRNESCSENYTTDFIYQLYSEEGKGVFDCRKNVLGHMQQGGAPSPFDRNFGTKISARAMEWITAKLKEAKFTTDDSICVLGISKRNVIFQPVAELKKQTDFEHRIPKEQWWLKLRPLMKILAK
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| 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. (00:00:12)
[INFO] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:12)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:14)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6a25a77611cf2e4/tmp/folded.pdb (00:00:14)
[INFO] Main: Simulation completed successfully. (00:13:33)
|
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 |
|---|---|---|---|---|
| 21 | S | A | -0.3142 | |
| 22 | G | A | -0.4203 | |
| 23 | A | A | -0.3111 | |
| 24 | G | A | -1.0614 | |
| 25 | K | A | -1.2226 | |
| 26 | A | A | 0.0000 | |
| 27 | I | A | 0.0000 | |
| 28 | G | A | 0.0000 | |
| 29 | V | A | 0.0000 | |
| 30 | L | A | 0.0000 | |
| 31 | T | A | 0.0000 | |
| 32 | S | A | 0.0000 | |
| 33 | G | A | -1.0617 | |
| 34 | G | A | -0.7720 | |
| 35 | D | A | -0.7691 | |
| 36 | A | A | 0.0000 | |
| 37 | Q | A | 0.0000 | |
| 38 | G | A | 0.0000 | |
| 39 | M | A | 0.0000 | |
| 40 | N | A | 0.0000 | |
| 41 | A | A | 0.0000 | |
| 42 | A | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | R | A | 0.0000 | |
| 45 | A | A | 0.0000 | |
| 46 | V | A | 0.0000 | |
| 47 | V | A | 0.0000 | |
| 48 | R | A | 0.0000 | |
| 49 | M | A | 0.0000 | |
| 50 | G | A | 0.0000 | |
| 51 | I | A | 0.6217 | |
| 52 | Y | A | 1.4234 | |
| 53 | V | A | 1.0957 | |
| 54 | G | A | 0.0836 | |
| 55 | A | A | -0.5953 | |
| 56 | K | A | -1.9965 | |
| 57 | V | A | 0.0000 | |
| 58 | Y | A | 0.0000 | |
| 59 | F | A | 0.0000 | |
| 60 | I | A | 0.0000 | |
| 61 | Y | A | -0.0583 | |
| 62 | E | A | -0.9431 | |
| 63 | G | A | 0.0000 | |
| 64 | Y | A | 0.0000 | |
| 65 | Q | A | -1.5143 | |
| 66 | G | A | 0.0000 | |
| 67 | M | A | 0.0000 | |
| 68 | V | A | -1.2946 | |
| 69 | D | A | -2.2816 | |
| 70 | G | A | -1.5384 | |
| 71 | G | A | -1.2142 | |
| 72 | S | A | -0.7962 | |
| 73 | N | A | -1.0677 | |
| 74 | I | A | 0.0000 | |
| 75 | A | A | -1.2621 | |
| 76 | E | A | -2.5298 | |
| 77 | A | A | 0.0000 | |
| 78 | D | A | -1.9999 | |
| 79 | W | A | -1.0835 | |
| 80 | E | A | -1.7513 | |
| 81 | S | A | -1.2608 | |
| 82 | V | A | 0.0000 | |
| 83 | S | A | -0.5752 | |
| 84 | S | A | -0.2091 | |
| 85 | I | A | 0.4660 | |
| 86 | L | A | 0.0000 | |
| 87 | Q | A | -0.1143 | |
| 88 | V | A | 0.8918 | |
| 89 | G | A | 0.1333 | |
| 90 | G | A | 0.0000 | |
| 91 | T | A | 0.3324 | |
| 92 | I | A | 0.8155 | |
| 93 | I | A | 0.0000 | |
| 94 | G | A | -0.2217 | |
| 95 | S | A | -0.8663 | |
| 96 | A | A | -1.3379 | |
| 97 | R | A | -2.3574 | |
| 98 | C | A | 0.0000 | |
| 99 | Q | A | -2.5018 | |
| 100 | A | A | -2.2435 | |
| 101 | F | A | 0.0000 | |
| 102 | R | A | -2.3349 | |
| 103 | T | A | -2.2760 | |
| 104 | R | A | -2.8660 | |
| 105 | E | A | -2.9931 | |
| 106 | G | A | -2.1932 | |
| 107 | R | A | 0.0000 | |
| 108 | L | A | -1.1322 | |
| 109 | K | A | -1.8900 | |
| 110 | A | A | 0.0000 | |
| 111 | A | A | 0.0000 | |
| 112 | C | A | 0.0000 | |
| 113 | N | A | 0.0000 | |
| 114 | L | A | 0.0000 | |
| 115 | L | A | -0.8190 | |
| 116 | Q | A | -1.6711 | |
| 117 | R | A | -2.0242 | |
| 118 | G | A | -1.4030 | |
| 119 | I | A | 0.0000 | |
| 120 | T | A | -0.2094 | |
| 121 | N | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | C | A | 0.0000 | |
| 124 | V | A | 0.0000 | |
| 125 | I | A | 0.0000 | |
| 126 | G | A | 0.0000 | |
| 127 | G | A | 0.0000 | |
| 128 | D | A | -0.9705 | |
| 129 | G | A | -0.8959 | |
| 130 | S | A | 0.0000 | |
| 131 | L | A | 0.0000 | |
| 132 | T | A | -0.0222 | |
| 133 | G | A | 0.0000 | |
| 134 | A | A | 0.0000 | |
| 135 | N | A | -0.1299 | |
| 136 | L | A | 0.0337 | |
| 137 | F | A | 0.0000 | |
| 138 | R | A | -0.9974 | |
| 139 | K | A | -1.7238 | |
| 140 | E | A | -1.3127 | |
| 141 | W | A | 0.0000 | |
| 142 | S | A | -1.1716 | |
| 143 | G | A | -1.4083 | |
| 144 | L | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | E | A | -3.0539 | |
| 147 | E | A | -2.4744 | |
| 148 | L | A | 0.0000 | |
| 149 | A | A | -3.4026 | |
| 150 | R | A | -3.8092 | |
| 151 | N | A | -3.0337 | |
| 152 | G | A | -2.7388 | |
| 153 | Q | A | -2.5817 | |
| 154 | I | A | -2.7418 | |
| 155 | D | A | -3.8290 | |
| 156 | K | A | -4.4244 | |
| 157 | E | A | -3.9066 | |
| 158 | A | A | -2.8199 | |
| 159 | V | A | -2.5738 | |
| 160 | Q | A | -2.9967 | |
| 161 | K | A | -2.7840 | |
| 162 | Y | A | -0.7696 | |
| 163 | A | A | -0.6449 | |
| 164 | Y | A | 0.2902 | |
| 165 | L | A | 0.0000 | |
| 166 | N | A | -0.4379 | |
| 167 | V | A | 0.0000 | |
| 168 | V | A | 0.0000 | |
| 169 | G | A | 0.0000 | |
| 170 | M | A | 0.0000 | |
| 171 | V | A | 0.0000 | |
| 172 | G | A | 0.0000 | |
| 173 | S | A | -0.5448 | |
| 174 | I | A | 0.0000 | |
| 175 | D | A | -1.0955 | |
| 176 | N | A | 0.0000 | |
| 177 | D | A | -1.1118 | |
| 178 | F | A | 0.0000 | |
| 179 | C | A | 0.0000 | |
| 180 | G | A | -0.4011 | |
| 181 | T | A | 0.0000 | |
| 182 | D | A | -0.7954 | |
| 183 | M | A | 0.0075 | |
| 184 | T | A | 0.0000 | |
| 185 | I | A | 0.0000 | |
| 186 | G | A | 0.0000 | |
| 187 | T | A | 0.0000 | |
| 188 | D | A | 0.0000 | |
| 189 | S | A | 0.0000 | |
| 190 | A | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | H | A | -0.6754 | |
| 193 | R | A | -0.5281 | |
| 194 | I | A | 0.0000 | |
| 195 | I | A | 0.0000 | |
| 196 | E | A | -1.6055 | |
| 197 | V | A | -0.2404 | |
| 198 | V | A | 0.0000 | |
| 199 | D | A | -0.7168 | |
| 200 | A | A | -0.2254 | |
| 201 | I | A | 0.0560 | |
| 202 | M | A | -0.1693 | |
| 203 | T | A | -0.2956 | |
| 204 | T | A | -0.7344 | |
| 205 | A | A | 0.0000 | |
| 206 | Q | A | -2.0609 | |
| 207 | S | A | -1.7097 | |
| 208 | H | A | -2.3699 | |
| 209 | Q | A | -2.6203 | |
| 210 | R | A | -2.1948 | |
| 211 | T | A | 0.0000 | |
| 212 | F | A | -0.5437 | |
| 213 | V | A | 0.0000 | |
| 214 | L | A | 0.0000 | |
| 215 | E | A | 0.4433 | |
| 216 | V | A | 0.0000 | |
| 217 | M | A | -0.5427 | |
| 218 | G | A | 0.0000 | |
| 219 | R | A | -2.5525 | |
| 220 | H | A | -1.9774 | |
| 221 | C | A | 0.0000 | |
| 222 | G | A | 0.0000 | |
| 223 | Y | A | 0.0000 | |
| 224 | L | A | 0.0000 | |
| 225 | A | A | 0.0000 | |
| 226 | L | A | 0.0000 | |
| 227 | V | A | 0.0000 | |
| 228 | S | A | 0.0000 | |
| 229 | A | A | 0.0000 | |
| 230 | L | A | 0.0000 | |
| 231 | A | A | 0.0000 | |
| 232 | C | A | 0.0000 | |
| 233 | G | A | -0.1671 | |
| 234 | A | A | 0.0000 | |
| 235 | D | A | -0.1006 | |
| 236 | W | A | 0.0728 | |
| 237 | V | A | 0.0188 | |
| 238 | F | A | 0.0000 | |
| 239 | L | A | 0.0000 | |
| 240 | P | A | 0.0000 | |
| 241 | E | A | 0.0000 | |
| 242 | S | A | -0.7075 | |
| 243 | P | A | -1.3730 | |
| 244 | P | A | 0.0000 | |
| 245 | E | A | -3.0659 | |
| 246 | E | A | -3.3200 | |
| 247 | G | A | -2.6483 | |
| 248 | W | A | 0.0000 | |
| 249 | E | A | -2.5014 | |
| 250 | E | A | -2.9124 | |
| 251 | Q | A | -2.4435 | |
| 252 | M | A | 0.0000 | |
| 253 | C | A | 0.0000 | |
| 254 | V | A | -0.1672 | |
| 255 | K | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | S | A | -0.3415 | |
| 258 | E | A | -0.8679 | |
| 259 | N | A | 0.0000 | |
| 260 | R | A | -1.5246 | |
| 261 | A | A | -1.2343 | |
| 262 | R | A | -1.7541 | |
| 263 | K | A | -2.5468 | |
| 264 | K | A | -2.2112 | |
| 265 | R | A | -2.3840 | |
| 266 | L | A | 0.0000 | |
| 267 | N | A | 0.0000 | |
| 268 | I | A | 0.0000 | |
| 269 | I | A | 0.0000 | |
| 270 | I | A | 0.0000 | |
| 271 | V | A | 0.0000 | |
| 272 | A | A | 0.0000 | |
| 273 | E | A | -1.3306 | |
| 274 | G | A | -1.6448 | |
| 275 | A | A | 0.0000 | |
| 276 | I | A | -1.2052 | |
| 277 | D | A | -1.8389 | |
| 278 | T | A | -2.2275 | |
| 279 | Q | A | -2.7165 | |
| 280 | N | A | -2.9445 | |
| 281 | K | A | -2.5907 | |
| 282 | P | A | -1.6553 | |
| 283 | I | A | 0.0000 | |
| 284 | T | A | -1.3574 | |
| 285 | S | A | 0.0000 | |
| 286 | E | A | -2.8596 | |
| 287 | K | A | -2.6634 | |
| 288 | I | A | 0.0000 | |
| 289 | K | A | -2.5642 | |
| 290 | E | A | -2.4208 | |
| 291 | L | A | -1.5359 | |
| 292 | V | A | 0.0000 | |
| 293 | V | A | 0.5348 | |
| 294 | T | A | -0.1799 | |
| 295 | Q | A | -0.7611 | |
| 296 | L | A | 0.1408 | |
| 297 | G | A | -0.0042 | |
| 298 | Y | A | -0.5349 | |
| 299 | D | A | -1.7988 | |
| 300 | T | A | 0.0000 | |
| 301 | R | A | -2.1801 | |
| 302 | V | A | -0.4711 | |
| 303 | T | A | 0.7604 | |
| 304 | I | A | 2.0656 | |
| 305 | L | A | 1.1708 | |
| 306 | G | A | 0.3528 | |
| 307 | H | A | -0.1326 | |
| 308 | V | A | 1.2379 | |
| 309 | Q | A | 0.0000 | |
| 310 | R | A | -0.5505 | |
| 311 | G | A | -0.2272 | |
| 312 | G | A | -0.1926 | |
| 313 | T | A | -0.2724 | |
| 314 | P | A | 0.0000 | |
| 315 | S | A | 0.0000 | |
| 316 | A | A | 0.0000 | |
| 317 | F | A | 0.4110 | |
| 318 | D | A | 0.0000 | |
| 319 | R | A | 0.0000 | |
| 320 | I | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | A | A | 0.0000 | |
| 323 | S | A | 0.0000 | |
| 324 | R | A | 0.0000 | |
| 325 | M | A | 0.0000 | |
| 326 | G | A | 0.0000 | |
| 327 | V | A | 0.0000 | |
| 328 | E | A | 0.1726 | |
| 329 | A | A | 0.0000 | |
| 330 | V | A | 0.0000 | |
| 331 | I | A | 0.2923 | |
| 332 | A | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | L | A | -0.4741 | |
| 335 | E | A | -1.5249 | |
| 336 | A | A | -1.0717 | |
| 337 | T | A | -1.0753 | |
| 338 | P | A | -1.0122 | |
| 339 | D | A | -1.8063 | |
| 340 | T | A | -1.0974 | |
| 341 | P | A | -0.8898 | |
| 342 | A | A | 0.0000 | |
| 343 | C | A | 0.0000 | |
| 344 | V | A | 0.0000 | |
| 345 | V | A | 0.0000 | |
| 346 | S | A | 0.0000 | |
| 347 | L | A | -0.1144 | |
| 348 | N | A | -1.2940 | |
| 349 | G | A | -2.0084 | |
| 350 | N | A | -1.7173 | |
| 351 | H | A | -1.3119 | |
| 352 | A | A | -0.0529 | |
| 353 | V | A | 0.9338 | |
| 354 | R | A | 0.2665 | |
| 355 | L | A | 0.2451 | |
| 356 | P | A | -0.0921 | |
| 357 | L | A | 0.0000 | |
| 358 | M | A | 0.0360 | |
| 359 | E | A | -1.4727 | |
| 360 | C | A | 0.0000 | |
| 361 | V | A | -0.9405 | |
| 362 | Q | A | -1.8577 | |
| 363 | M | A | -1.2835 | |
| 364 | T | A | -1.6287 | |
| 365 | Q | A | -2.5665 | |
| 366 | D | A | -2.2938 | |
| 367 | V | A | 0.0000 | |
| 368 | Q | A | -2.4987 | |
| 369 | K | A | -3.6060 | |
| 370 | A | A | 0.0000 | |
| 371 | M | A | -3.0621 | |
| 372 | D | A | -3.6928 | |
| 373 | E | A | -3.6731 | |
| 374 | R | A | -3.9705 | |
| 375 | R | A | -3.4631 | |
| 376 | F | A | 0.0000 | |
| 377 | Q | A | -2.4328 | |
| 378 | D | A | -2.2811 | |
| 379 | A | A | 0.0000 | |
| 380 | V | A | 0.0000 | |
| 381 | R | A | -2.2751 | |
| 382 | L | A | -1.0677 | |
| 383 | R | A | 0.0000 | |
| 384 | G | A | -1.3856 | |
| 385 | R | A | -2.6206 | |
| 386 | S | A | -1.7006 | |
| 387 | F | A | 0.0000 | |
| 388 | A | A | -1.3077 | |
| 389 | G | A | -1.3508 | |
| 390 | N | A | 0.0000 | |
| 391 | L | A | -0.9668 | |
| 392 | N | A | -1.9627 | |
| 393 | T | A | 0.0000 | |
| 394 | Y | A | 0.0000 | |
| 395 | K | A | -2.2747 | |
| 396 | R | A | -1.8102 | |
| 397 | L | A | 0.0000 | |
| 398 | A | A | -0.4514 | |
| 399 | I | A | -0.0413 | |
| 400 | K | A | -0.5194 | |
| 401 | L | A | -0.6498 | |
| 402 | P | A | -1.7663 | |
| 403 | D | A | -3.2113 | |
| 404 | D | A | -3.3934 | |
| 405 | Q | A | -2.8003 | |
| 406 | I | A | -2.1088 | |
| 407 | P | A | -1.9636 | |
| 408 | K | A | -2.7997 | |
| 409 | T | A | -1.7978 | |
| 410 | N | A | -1.8986 | |
| 411 | C | A | -1.0558 | |
| 412 | N | A | 0.0000 | |
| 413 | V | A | 0.0000 | |
| 414 | A | A | 0.0000 | |
| 415 | V | A | 0.0000 | |
| 416 | I | A | 0.0000 | |
| 417 | N | A | 0.0000 | |
| 418 | V | A | 0.0000 | |
| 419 | G | A | 0.0000 | |
| 420 | A | A | 0.0000 | |
| 421 | P | A | -0.5612 | |
| 422 | A | A | 0.0000 | |
| 423 | A | A | 0.0000 | |
| 424 | G | A | 0.0000 | |
| 425 | M | A | 0.0000 | |
| 426 | N | A | 0.0000 | |
| 427 | A | A | 0.0000 | |
| 428 | A | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | R | A | 0.0000 | |
| 431 | S | A | 0.0000 | |
| 432 | A | A | 0.0000 | |
| 433 | V | A | 0.0000 | |
| 434 | R | A | 0.0000 | |
| 435 | V | A | 0.0000 | |
| 436 | G | A | 0.0000 | |
| 437 | I | A | -0.4316 | |
| 438 | A | A | -0.7096 | |
| 439 | D | A | -0.8481 | |
| 440 | G | A | 0.0000 | |
| 441 | H | A | 0.0000 | |
| 442 | R | A | -1.4160 | |
| 443 | M | A | 0.0000 | |
| 444 | L | A | 0.0000 | |
| 445 | A | A | 0.0000 | |
| 446 | I | A | 0.0000 | |
| 447 | Y | A | -0.7890 | |
| 448 | D | A | -1.3414 | |
| 449 | G | A | 0.0000 | |
| 450 | F | A | 0.0000 | |
| 451 | D | A | -1.4059 | |
| 452 | G | A | 0.0000 | |
| 453 | F | A | 0.0000 | |
| 454 | A | A | -1.8718 | |
| 455 | K | A | -2.2865 | |
| 456 | G | A | -1.8651 | |
| 457 | Q | A | -1.9161 | |
| 458 | I | A | 0.0000 | |
| 459 | K | A | -2.2167 | |
| 460 | E | A | -2.5101 | |
| 461 | I | A | 0.0000 | |
| 462 | G | A | -0.8630 | |
| 463 | W | A | 0.0000 | |
| 464 | T | A | -1.1080 | |
| 465 | D | A | -1.4809 | |
| 466 | V | A | 0.0000 | |
| 467 | G | A | -0.9626 | |
| 468 | G | A | -0.6541 | |
| 469 | W | A | 0.0000 | |
| 470 | T | A | 0.0000 | |
| 471 | G | A | -0.8950 | |
| 472 | Q | A | -1.2741 | |
| 473 | G | A | -0.8113 | |
| 474 | G | A | -0.3242 | |
| 475 | S | A | 0.0898 | |
| 476 | I | A | 0.9759 | |
| 477 | L | A | 0.0000 | |
| 478 | G | A | -0.1818 | |
| 479 | T | A | -0.9317 | |
| 480 | K | A | -1.8028 | |
| 481 | R | A | -1.8982 | |
| 482 | V | A | -0.3854 | |
| 483 | L | A | 0.2804 | |
| 484 | P | A | 0.0000 | |
| 485 | G | A | -0.5505 | |
| 486 | K | A | -1.4586 | |
| 487 | Y | A | -0.5970 | |
| 488 | L | A | -1.1009 | |
| 489 | E | A | -2.5220 | |
| 490 | E | A | -2.3918 | |
| 491 | I | A | 0.0000 | |
| 492 | A | A | 0.0000 | |
| 493 | T | A | -1.8755 | |
| 494 | Q | A | -1.8821 | |
| 495 | M | A | 0.0000 | |
| 496 | R | A | -2.2750 | |
| 497 | T | A | -1.2792 | |
| 498 | H | A | -1.4879 | |
| 499 | S | A | -1.2540 | |
| 500 | I | A | 0.0000 | |
| 501 | N | A | -0.5310 | |
| 502 | A | A | 0.0000 | |
| 503 | L | A | 0.0000 | |
| 504 | L | A | 0.0000 | |
| 505 | I | A | 0.0000 | |
| 506 | I | A | 0.0000 | |
| 507 | G | A | 0.0000 | |
| 508 | G | A | 0.0000 | |
| 509 | F | A | 0.0000 | |
| 510 | E | A | 0.0000 | |
| 511 | A | A | 0.0000 | |
| 512 | Y | A | 0.0000 | |
| 513 | L | A | 0.5026 | |
| 514 | G | A | 0.0000 | |
| 515 | L | A | 0.0000 | |
| 516 | L | A | -0.1112 | |
| 517 | E | A | -0.4390 | |
| 518 | L | A | 0.0000 | |
| 519 | S | A | -0.9248 | |
| 520 | A | A | -0.9474 | |
| 521 | A | A | 0.0000 | |
| 522 | R | A | -2.3438 | |
| 523 | E | A | -3.1451 | |
| 524 | K | A | -3.4023 | |
| 525 | H | A | -2.7893 | |
| 526 | E | A | -2.8999 | |
| 527 | E | A | -1.9604 | |
| 528 | F | A | 0.0000 | |
| 529 | C | A | -0.6927 | |
| 530 | V | A | 0.0558 | |
| 531 | P | A | -0.0695 | |
| 532 | M | A | 0.0000 | |
| 533 | V | A | 0.0000 | |
| 534 | M | A | 0.0000 | |
| 535 | V | A | 0.0000 | |
| 536 | P | A | 0.0000 | |
| 537 | A | A | 0.0000 | |
| 538 | T | A | 0.0000 | |
| 539 | V | A | 0.0000 | |
| 540 | S | A | 0.0000 | |
| 541 | N | A | 0.0000 | |
| 542 | N | A | 0.0000 | |
| 543 | V | A | 0.0000 | |
| 544 | P | A | 0.0000 | |
| 545 | G | A | -0.5901 | |
| 546 | S | A | 0.0000 | |
| 547 | D | A | -0.4185 | |
| 548 | F | A | 0.3462 | |
| 549 | S | A | 0.0000 | |
| 550 | I | A | 0.0000 | |
| 551 | G | A | 0.0000 | |
| 552 | A | A | 0.0000 | |
| 553 | D | A | 0.0000 | |
| 554 | T | A | 0.0000 | |
| 555 | A | A | 0.0000 | |
| 556 | L | A | 0.0000 | |
| 557 | N | A | -0.3357 | |
| 558 | T | A | -0.3276 | |
| 559 | I | A | 0.0000 | |
| 560 | T | A | 0.0000 | |
| 561 | D | A | -1.2745 | |
| 562 | T | A | -0.9064 | |
| 563 | C | A | 0.0000 | |
| 564 | N | A | 0.0000 | |
| 565 | R | A | -2.3997 | |
| 566 | I | A | -1.3031 | |
| 567 | K | A | 0.0000 | |
| 568 | Q | A | -1.9983 | |
| 569 | S | A | -1.4923 | |
| 570 | A | A | 0.0000 | |
| 571 | S | A | -1.7710 | |
| 572 | G | A | -1.6668 | |
| 573 | T | A | -1.7561 | |
| 574 | K | A | -2.6331 | |
| 575 | R | A | -2.5862 | |
| 576 | R | A | -1.9204 | |
| 577 | V | A | 0.0000 | |
| 578 | F | A | 0.0000 | |
| 579 | I | A | 0.0000 | |
| 580 | I | A | 0.0000 | |
| 581 | E | A | -0.2154 | |
| 582 | T | A | 0.0000 | |
| 583 | M | A | -0.0599 | |
| 584 | G | A | 0.0000 | |
| 585 | G | A | -0.1111 | |
| 586 | Y | A | 0.0391 | |
| 587 | C | A | 0.0000 | |
| 588 | G | A | 0.0000 | |
| 589 | Y | A | 0.0000 | |
| 590 | L | A | 0.0000 | |
| 591 | A | A | 0.0000 | |
| 592 | N | A | 0.0000 | |
| 593 | M | A | 0.0000 | |
| 594 | G | A | 0.0000 | |
| 595 | G | A | 0.0000 | |
| 596 | L | A | 0.0000 | |
| 597 | A | A | 0.0000 | |
| 598 | A | A | 0.0000 | |
| 599 | G | A | -0.2178 | |
| 600 | A | A | 0.0000 | |
| 601 | D | A | 0.0000 | |
| 602 | A | A | 0.0000 | |
| 603 | A | A | 0.0000 | |
| 604 | Y | A | 0.0000 | |
| 605 | I | A | 0.0000 | |
| 606 | F | A | 0.1450 | |
| 607 | E | A | -0.5033 | |
| 608 | E | A | -0.3223 | |
| 609 | P | A | -0.6578 | |
| 610 | F | A | -0.9063 | |
| 611 | D | A | -1.4910 | |
| 612 | I | A | -0.7616 | |
| 613 | R | A | -2.5957 | |
| 614 | D | A | -2.9845 | |
| 615 | L | A | 0.0000 | |
| 616 | Q | A | -2.1652 | |
| 617 | S | A | -2.1900 | |
| 618 | N | A | -1.7441 | |
| 619 | V | A | 0.0000 | |
| 620 | E | A | -2.9143 | |
| 621 | H | A | -2.1582 | |
| 622 | L | A | 0.0000 | |
| 623 | T | A | -2.2070 | |
| 624 | E | A | -2.8780 | |
| 625 | K | A | -2.4992 | |
| 626 | M | A | 0.0000 | |
| 627 | K | A | -2.4011 | |
| 628 | T | A | -1.5236 | |
| 629 | T | A | -0.9566 | |
| 630 | I | A | -0.9978 | |
| 631 | Q | A | -1.7009 | |
| 632 | R | A | 0.0000 | |
| 633 | G | A | 0.0000 | |
| 634 | L | A | 0.0000 | |
| 635 | V | A | 0.0000 | |
| 636 | L | A | 0.0000 | |
| 637 | R | A | 0.0000 | |
| 638 | N | A | 0.0000 | |
| 639 | E | A | -0.8536 | |
| 640 | S | A | -0.8052 | |
| 641 | C | A | 0.0000 | |
| 642 | S | A | -1.2478 | |
| 643 | E | A | -2.4501 | |
| 644 | N | A | -1.9453 | |
| 645 | Y | A | -0.7655 | |
| 646 | T | A | -1.0207 | |
| 647 | T | A | 0.0000 | |
| 648 | D | A | -0.9604 | |
| 649 | F | A | 0.0344 | |
| 650 | I | A | 0.0000 | |
| 651 | Y | A | -0.9955 | |
| 652 | Q | A | -1.6475 | |
| 653 | L | A | -0.9256 | |
| 654 | Y | A | 0.0000 | |
| 655 | S | A | -2.4196 | |
| 656 | E | A | -3.3644 | |
| 657 | E | A | -3.0782 | |
| 658 | G | A | 0.0000 | |
| 659 | K | A | -2.9708 | |
| 660 | G | A | -1.7313 | |
| 661 | V | A | -1.2325 | |
| 662 | F | A | 0.0000 | |
| 663 | D | A | -2.5460 | |
| 664 | C | A | 0.0000 | |
| 665 | R | A | -2.0566 | |
| 666 | K | A | -1.3711 | |
| 667 | N | A | -0.4636 | |
| 668 | V | A | 1.0351 | |
| 669 | L | A | 0.5729 | |
| 670 | G | A | -0.0625 | |
| 671 | H | A | -0.5550 | |
| 672 | M | A | 0.2120 | |
| 673 | Q | A | 0.0000 | |
| 674 | Q | A | 0.0000 | |
| 675 | G | A | -0.6564 | |
| 676 | G | A | -0.7401 | |
| 677 | A | A | -0.8813 | |
| 678 | P | A | 0.0000 | |
| 679 | S | A | 0.0000 | |
| 680 | P | A | 0.0000 | |
| 681 | F | A | 0.4518 | |
| 682 | D | A | 0.0000 | |
| 683 | R | A | 0.0000 | |
| 684 | N | A | 0.0000 | |
| 685 | F | A | 0.2865 | |
| 686 | G | A | 0.0000 | |
| 687 | T | A | 0.0000 | |
| 688 | K | A | -0.2708 | |
| 689 | I | A | 0.0000 | |
| 690 | S | A | 0.0000 | |
| 691 | A | A | 0.0000 | |
| 692 | R | A | -0.9701 | |
| 693 | A | A | 0.0000 | |
| 694 | M | A | 0.0000 | |
| 695 | E | A | -1.6540 | |
| 696 | W | A | -0.7919 | |
| 697 | I | A | 0.0000 | |
| 698 | T | A | -1.3177 | |
| 699 | A | A | -1.4623 | |
| 700 | K | A | -1.6576 | |
| 701 | L | A | -1.4216 | |
| 702 | K | A | -2.7246 | |
| 703 | E | A | -2.7032 | |
| 704 | A | A | -1.3960 | |
| 710 | K | A | -0.9728 | |
| 711 | F | A | 0.5006 | |
| 712 | T | A | -0.6600 | |
| 713 | T | A | -1.0427 | |
| 714 | D | A | -2.2730 | |
| 715 | D | A | -1.8279 | |
| 716 | S | A | 0.0000 | |
| 717 | I | A | 0.0000 | |
| 718 | C | A | 0.0000 | |
| 719 | V | A | 0.0000 | |
| 720 | L | A | 0.0000 | |
| 721 | G | A | 0.0000 | |
| 722 | I | A | -0.5850 | |
| 723 | S | A | -1.3256 | |
| 724 | K | A | -3.1927 | |
| 725 | R | A | -3.5546 | |
| 726 | N | A | -2.5011 | |
| 727 | V | A | -0.5060 | |
| 728 | I | A | 0.6247 | |
| 729 | F | A | 0.7788 | |
| 730 | Q | A | -0.1401 | |
| 731 | P | A | -1.1929 | |
| 732 | V | A | 0.0000 | |
| 733 | A | A | -1.8622 | |
| 734 | E | A | -2.6438 | |
| 735 | L | A | 0.0000 | |
| 736 | K | A | -2.9610 | |
| 737 | K | A | -3.4081 | |
| 738 | Q | A | -2.9689 | |
| 739 | T | A | 0.0000 | |
| 740 | D | A | -1.9314 | |
| 741 | F | A | -0.5043 | |
| 742 | E | A | -1.5289 | |
| 743 | H | A | -1.0537 | |
| 744 | R | A | -0.7937 | |
| 745 | I | A | 0.0000 | |
| 746 | P | A | 0.0000 | |
| 747 | K | A | -3.1221 | |
| 748 | E | A | -2.8149 | |
| 749 | Q | A | -1.7182 | |
| 750 | W | A | -0.9499 | |
| 751 | W | A | 0.0000 | |
| 752 | L | A | -0.8512 | |
| 753 | K | A | -1.6989 | |
| 754 | L | A | 0.0000 | |
| 755 | R | A | 0.0000 | |
| 756 | P | A | -0.6005 | |
| 757 | L | A | -0.3292 | |
| 758 | M | A | 0.0000 | |
| 759 | K | A | -0.9414 | |
| 760 | I | A | -0.2560 | |
| 761 | L | A | 0.0000 | |
| 762 | A | A | -0.8145 | |
| 763 | K | A | -1.5202 |
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 | -0.7 | 2.8654 | View | CSV | PDB |
| 4.5 | -0.7565 | 2.837 | View | CSV | PDB |
| 5.0 | -0.8258 | 2.8083 | View | CSV | PDB |
| 5.5 | -0.8945 | 2.7898 | View | CSV | PDB |
| 6.0 | -0.9479 | 2.7845 | View | CSV | PDB |
| 6.5 | -0.9751 | 2.7861 | View | CSV | PDB |
| 7.0 | -0.9752 | 2.7881 | View | CSV | PDB |
| 7.5 | -0.9564 | 2.7892 | View | CSV | PDB |
| 8.0 | -0.9272 | 2.7895 | View | CSV | PDB |
| 8.5 | -0.8906 | 2.7896 | View | CSV | PDB |
| 9.0 | -0.8471 | 2.908 | 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