| Chain sequence(s) |
A: STEQSIQLTLGPWYSNDGKYSNPTIPVYTIQKTRSDTENMVVVVCGEGYTKSQQGKFINDVKRLWQDAMKYEPYRSYADRFNVYALCTASESTFDNGGSTFFDVIVDKYNSPVISNNLHGSQWKNHIFERCIGPEFIEKIHDAHIKKKCDPNTIPSGSEYEPYYYVHDYIAQFAMVVNTKSDFGGAYNNREYGFHYFISPSDSYRASKTFAHEFGHGLLGLGDEYSNGYLLDDKELKSLNLSSVEDPEKIKWRQLLGFRNTYTCRNAYGSKMLVSSYECIMRDTNYQFCEVCRLQGFKRMSQLVKDVDLYVATPEVKEYTGAYSKPSDFTDLETSSYYNYTYNRNDRLLSGNSKSRFNTNMNGKKIELRTVIQNISDKNARQLKFKMWIKHSDGSVATDSSGNPLQTVQTFDIPVWNDKANFWPLGALDHIKSDFNSGLKSCSLIYQIPSDAQLKSGDTVAFQVLDENGNVLADDNTETQRYTTVSIQYKFEDGSEIPNTAGGTFTVPYGTKLDLTPAKTLYDYEFIKVDGLNKPIVSDGTVVTYYYKN
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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[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 (00:07:55)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/1d251a4c8deb91e/tmp/folded.pdb (00:07:55)
[INFO] Main: Simulation completed successfully. (00:10:44)
|
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 | -0.9188 | |
| 2 | T | A | -1.1185 | |
| 3 | E | A | -1.9898 | |
| 4 | Q | A | -1.4049 | |
| 5 | S | A | -0.9594 | |
| 6 | I | A | 0.0000 | |
| 7 | Q | A | -1.1590 | |
| 8 | L | A | 0.0000 | |
| 9 | T | A | -0.9551 | |
| 10 | L | A | 0.0000 | |
| 11 | G | A | -0.8888 | |
| 12 | P | A | -1.4135 | |
| 13 | W | A | -1.0480 | |
| 14 | Y | A | 0.0000 | |
| 15 | S | A | 0.0000 | |
| 16 | N | A | -2.4730 | |
| 17 | D | A | -2.6143 | |
| 18 | G | A | -2.3772 | |
| 19 | K | A | -2.8699 | |
| 20 | Y | A | 0.0000 | |
| 21 | S | A | -1.7381 | |
| 22 | N | A | -1.8352 | |
| 23 | P | A | -1.1409 | |
| 24 | T | A | -0.6987 | |
| 25 | I | A | 0.0000 | |
| 26 | P | A | -0.5382 | |
| 27 | V | A | 0.0000 | |
| 28 | Y | A | 0.0023 | |
| 29 | T | A | 0.0000 | |
| 30 | I | A | 0.0000 | |
| 31 | Q | A | 0.0000 | |
| 32 | K | A | 0.0000 | |
| 33 | T | A | 0.0000 | |
| 34 | R | A | -0.7055 | |
| 35 | S | A | -0.7886 | |
| 36 | D | A | 0.0000 | |
| 37 | T | A | -0.5124 | |
| 38 | E | A | -1.1924 | |
| 39 | N | A | 0.0000 | |
| 40 | M | A | 0.0000 | |
| 41 | V | A | 0.0000 | |
| 42 | V | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | V | A | 0.0000 | |
| 45 | C | A | 0.0000 | |
| 46 | G | A | 0.0000 | |
| 47 | E | A | 0.0000 | |
| 48 | G | A | 0.0000 | |
| 49 | Y | A | 0.0000 | |
| 50 | T | A | -1.6629 | |
| 51 | K | A | -2.2982 | |
| 52 | S | A | -1.3591 | |
| 53 | Q | A | -1.3187 | |
| 54 | Q | A | 0.0000 | |
| 55 | G | A | -1.4815 | |
| 56 | K | A | -1.5331 | |
| 57 | F | A | 0.0000 | |
| 58 | I | A | 0.0000 | |
| 59 | N | A | -2.0216 | |
| 60 | D | A | 0.0000 | |
| 61 | V | A | 0.0000 | |
| 62 | K | A | -1.5063 | |
| 63 | R | A | -1.5959 | |
| 64 | L | A | 0.0000 | |
| 65 | W | A | 0.0000 | |
| 66 | Q | A | -1.0893 | |
| 67 | D | A | -1.3317 | |
| 68 | A | A | 0.0000 | |
| 69 | M | A | 0.0000 | |
| 70 | K | A | -1.5710 | |
| 71 | Y | A | -1.0410 | |
| 72 | E | A | -0.8036 | |
| 73 | P | A | 0.0000 | |
| 74 | Y | A | 0.0000 | |
| 75 | R | A | -0.9262 | |
| 76 | S | A | -0.5549 | |
| 77 | Y | A | 0.0000 | |
| 78 | A | A | 0.0000 | |
| 79 | D | A | -0.6068 | |
| 80 | R | A | 0.0000 | |
| 81 | F | A | 0.0000 | |
| 82 | N | A | 0.0000 | |
| 83 | V | A | 0.0000 | |
| 84 | Y | A | 0.0000 | |
| 85 | A | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | C | A | 0.0000 | |
| 88 | T | A | 0.0000 | |
| 89 | A | A | -1.0787 | |
| 90 | S | A | 0.0000 | |
| 91 | E | A | -2.4956 | |
| 92 | S | A | -1.8363 | |
| 93 | T | A | -1.5998 | |
| 94 | F | A | -1.5407 | |
| 95 | D | A | -2.7394 | |
| 96 | N | A | -2.3119 | |
| 97 | G | A | -1.7625 | |
| 98 | G | A | -1.4622 | |
| 99 | S | A | -1.3139 | |
| 100 | T | A | 0.0000 | |
| 101 | F | A | 0.0000 | |
| 102 | F | A | 0.0000 | |
| 103 | D | A | 0.0000 | |
| 104 | V | A | 0.0000 | |
| 105 | I | A | 0.7024 | |
| 106 | V | A | 0.1876 | |
| 107 | D | A | -0.7246 | |
| 108 | K | A | -1.4835 | |
| 109 | Y | A | -0.1458 | |
| 110 | N | A | -1.1346 | |
| 111 | S | A | -0.4420 | |
| 112 | P | A | 0.0000 | |
| 113 | V | A | 0.4639 | |
| 114 | I | A | 0.0000 | |
| 115 | S | A | 0.0000 | |
| 116 | N | A | -1.3200 | |
| 117 | N | A | -1.3702 | |
| 118 | L | A | 0.0558 | |
| 119 | H | A | -1.3250 | |
| 120 | G | A | -1.6785 | |
| 121 | S | A | 0.0000 | |
| 122 | Q | A | -1.7614 | |
| 123 | W | A | -0.8850 | |
| 124 | K | A | 0.0000 | |
| 125 | N | A | -0.2649 | |
| 126 | H | A | 0.0000 | |
| 127 | I | A | 0.0000 | |
| 128 | F | A | 0.0000 | |
| 129 | E | A | 0.0000 | |
| 130 | R | A | 0.0000 | |
| 131 | C | A | 0.0000 | |
| 132 | I | A | 0.0000 | |
| 133 | G | A | 0.0000 | |
| 134 | P | A | 0.0000 | |
| 135 | E | A | 0.0000 | |
| 136 | F | A | 0.0000 | |
| 137 | I | A | 0.0000 | |
| 138 | E | A | -1.6216 | |
| 139 | K | A | -1.7848 | |
| 140 | I | A | 0.0000 | |
| 141 | H | A | 0.0000 | |
| 142 | D | A | -0.8759 | |
| 143 | A | A | -0.5699 | |
| 144 | H | A | -1.2108 | |
| 145 | I | A | -1.0533 | |
| 146 | K | A | -2.5286 | |
| 147 | K | A | -2.6108 | |
| 148 | K | A | -2.5931 | |
| 149 | C | A | -1.5361 | |
| 150 | D | A | -1.5107 | |
| 151 | P | A | -0.6775 | |
| 152 | N | A | -0.3492 | |
| 153 | T | A | 0.3300 | |
| 154 | I | A | 1.5001 | |
| 155 | P | A | 0.1447 | |
| 156 | S | A | -0.0667 | |
| 157 | G | A | -0.7038 | |
| 158 | S | A | -0.7206 | |
| 159 | E | A | -0.3536 | |
| 160 | Y | A | -0.8219 | |
| 161 | E | A | -1.9336 | |
| 162 | P | A | -1.2419 | |
| 163 | Y | A | 0.0000 | |
| 164 | Y | A | -0.5877 | |
| 165 | Y | A | -0.2393 | |
| 166 | V | A | 0.0000 | |
| 167 | H | A | -0.2879 | |
| 168 | D | A | -0.7304 | |
| 169 | Y | A | -0.2120 | |
| 170 | I | A | 0.0000 | |
| 171 | A | A | -0.0751 | |
| 172 | Q | A | 0.0000 | |
| 173 | F | A | 0.0000 | |
| 174 | A | A | 0.0000 | |
| 175 | M | A | 0.0000 | |
| 176 | V | A | 0.0000 | |
| 177 | V | A | 0.0000 | |
| 178 | N | A | 0.0000 | |
| 179 | T | A | 0.0000 | |
| 180 | K | A | -2.1421 | |
| 181 | S | A | -1.4917 | |
| 182 | D | A | -1.1611 | |
| 183 | F | A | 0.0000 | |
| 184 | G | A | -0.4062 | |
| 185 | G | A | -0.2145 | |
| 186 | A | A | -0.0534 | |
| 187 | Y | A | 0.0238 | |
| 188 | N | A | -0.8090 | |
| 189 | N | A | -1.1169 | |
| 190 | R | A | 0.0000 | |
| 191 | E | A | -1.7574 | |
| 192 | Y | A | -0.1106 | |
| 193 | G | A | 0.0000 | |
| 194 | F | A | -0.0237 | |
| 195 | H | A | 0.0000 | |
| 196 | Y | A | 0.0000 | |
| 197 | F | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | S | A | 0.0000 | |
| 200 | P | A | 0.0000 | |
| 201 | S | A | 0.0000 | |
| 202 | D | A | -1.0003 | |
| 203 | S | A | 0.0000 | |
| 204 | Y | A | 0.3800 | |
| 205 | R | A | -0.7283 | |
| 206 | A | A | 0.0000 | |
| 207 | S | A | -0.7262 | |
| 208 | K | A | -1.1701 | |
| 209 | T | A | 0.0000 | |
| 210 | F | A | 0.0000 | |
| 211 | A | A | 0.0000 | |
| 212 | H | A | -0.6067 | |
| 213 | E | A | 0.0000 | |
| 214 | F | A | 0.0000 | |
| 215 | G | A | 0.0000 | |
| 216 | H | A | -0.3415 | |
| 217 | G | A | 0.0000 | |
| 218 | L | A | 0.0000 | |
| 219 | L | A | 0.0000 | |
| 220 | G | A | -0.4932 | |
| 221 | L | A | 0.0000 | |
| 222 | G | A | -0.2213 | |
| 223 | D | A | -0.3305 | |
| 224 | E | A | 0.0000 | |
| 225 | Y | A | 0.6450 | |
| 226 | S | A | -0.2687 | |
| 227 | N | A | -1.1369 | |
| 228 | G | A | -0.4945 | |
| 229 | Y | A | 0.3870 | |
| 230 | L | A | 0.0000 | |
| 231 | L | A | -0.0898 | |
| 232 | D | A | -2.1861 | |
| 233 | D | A | -2.8382 | |
| 234 | K | A | -2.3940 | |
| 235 | E | A | -1.3208 | |
| 236 | L | A | -1.2393 | |
| 237 | K | A | -1.3509 | |
| 238 | S | A | -0.8487 | |
| 239 | L | A | 0.0000 | |
| 240 | N | A | 0.0000 | |
| 241 | L | A | 0.0000 | |
| 242 | S | A | 0.0000 | |
| 243 | S | A | 0.0000 | |
| 244 | V | A | -0.7894 | |
| 245 | E | A | -1.8259 | |
| 246 | D | A | -2.2625 | |
| 247 | P | A | -2.8887 | |
| 248 | E | A | -3.6073 | |
| 249 | K | A | -3.2369 | |
| 250 | I | A | 0.0000 | |
| 251 | K | A | -1.6118 | |
| 252 | W | A | 0.0000 | |
| 253 | R | A | -2.6667 | |
| 254 | Q | A | -1.5590 | |
| 255 | L | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | G | A | 0.0000 | |
| 258 | F | A | 0.0000 | |
| 259 | R | A | -0.7035 | |
| 260 | N | A | -0.4345 | |
| 261 | T | A | 0.0000 | |
| 262 | Y | A | 0.0000 | |
| 263 | T | A | 0.0000 | |
| 264 | C | A | 0.0000 | |
| 265 | R | A | -1.1003 | |
| 266 | N | A | 0.0000 | |
| 267 | A | A | 0.0401 | |
| 268 | Y | A | 0.3835 | |
| 269 | G | A | -0.5216 | |
| 270 | S | A | 0.0000 | |
| 271 | K | A | -1.2729 | |
| 272 | M | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | S | A | 0.0000 | |
| 276 | S | A | 0.0000 | |
| 277 | Y | A | 0.0410 | |
| 278 | E | A | -1.0018 | |
| 279 | C | A | 0.0000 | |
| 280 | I | A | 0.0000 | |
| 281 | M | A | 0.0000 | |
| 282 | R | A | -0.5912 | |
| 283 | D | A | -1.1954 | |
| 284 | T | A | -1.4154 | |
| 285 | N | A | -1.7923 | |
| 286 | Y | A | -1.0903 | |
| 287 | Q | A | -1.5341 | |
| 288 | F | A | 0.0000 | |
| 289 | C | A | 0.0000 | |
| 290 | E | A | 0.0000 | |
| 291 | V | A | 0.0000 | |
| 292 | C | A | 0.0000 | |
| 293 | R | A | -0.3856 | |
| 294 | L | A | 0.0000 | |
| 295 | Q | A | 0.0000 | |
| 296 | G | A | 0.0000 | |
| 297 | F | A | 0.0000 | |
| 298 | K | A | 0.0000 | |
| 299 | R | A | 0.0000 | |
| 300 | M | A | 0.0000 | |
| 301 | S | A | 0.0000 | |
| 302 | Q | A | -0.2850 | |
| 303 | L | A | 0.0000 | |
| 304 | V | A | 0.0000 | |
| 305 | K | A | -2.8388 | |
| 306 | D | A | -2.9082 | |
| 307 | V | A | -1.8170 | |
| 308 | D | A | -2.4540 | |
| 309 | L | A | -0.6193 | |
| 310 | Y | A | 0.0000 | |
| 311 | V | A | 0.3766 | |
| 312 | A | A | 0.0000 | |
| 313 | T | A | -0.6702 | |
| 314 | P | A | 0.0000 | |
| 315 | E | A | 0.0000 | |
| 316 | V | A | 0.0000 | |
| 317 | K | A | 0.0000 | |
| 318 | E | A | -0.8117 | |
| 319 | Y | A | -0.3404 | |
| 320 | T | A | -0.4262 | |
| 321 | G | A | -0.6277 | |
| 322 | A | A | -0.5166 | |
| 323 | Y | A | -0.7125 | |
| 324 | S | A | -1.0497 | |
| 325 | K | A | -2.2612 | |
| 326 | P | A | -2.2779 | |
| 327 | S | A | -1.7368 | |
| 328 | D | A | -1.7036 | |
| 329 | F | A | 0.0000 | |
| 330 | T | A | -1.8690 | |
| 331 | D | A | -2.5427 | |
| 332 | L | A | 0.0000 | |
| 333 | E | A | -1.8282 | |
| 334 | T | A | 0.0000 | |
| 335 | S | A | -0.7877 | |
| 336 | S | A | -1.0955 | |
| 337 | Y | A | 0.0000 | |
| 338 | Y | A | 0.3706 | |
| 339 | N | A | -0.6202 | |
| 340 | Y | A | 0.0000 | |
| 341 | T | A | -0.2428 | |
| 342 | Y | A | 0.1516 | |
| 343 | N | A | -0.7952 | |
| 344 | R | A | -1.1035 | |
| 345 | N | A | -1.6475 | |
| 346 | D | A | -2.2203 | |
| 347 | R | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | L | A | 0.0000 | |
| 350 | S | A | -1.2459 | |
| 351 | G | A | -1.7621 | |
| 352 | N | A | -2.0168 | |
| 353 | S | A | -1.6042 | |
| 354 | K | A | -1.4956 | |
| 355 | S | A | -1.4739 | |
| 356 | R | A | -2.1135 | |
| 357 | F | A | 0.0000 | |
| 358 | N | A | -2.0840 | |
| 359 | T | A | -1.9138 | |
| 360 | N | A | -2.0234 | |
| 361 | M | A | 0.0000 | |
| 362 | N | A | -1.9886 | |
| 363 | G | A | -1.7639 | |
| 364 | K | A | -2.0405 | |
| 365 | K | A | -1.4548 | |
| 366 | I | A | 0.0000 | |
| 367 | E | A | 0.0000 | |
| 368 | L | A | 0.0000 | |
| 369 | R | A | -0.1480 | |
| 370 | T | A | 0.0000 | |
| 371 | V | A | 0.0000 | |
| 372 | I | A | 0.0000 | |
| 373 | Q | A | 0.0000 | |
| 374 | N | A | 0.0000 | |
| 375 | I | A | 0.0000 | |
| 376 | S | A | -2.5979 | |
| 377 | D | A | -3.5654 | |
| 378 | K | A | -3.2609 | |
| 379 | N | A | -2.6060 | |
| 380 | A | A | -1.7817 | |
| 381 | R | A | -2.2616 | |
| 382 | Q | A | -2.7342 | |
| 383 | L | A | 0.0000 | |
| 384 | K | A | -1.8619 | |
| 385 | F | A | 0.0000 | |
| 386 | K | A | -0.7986 | |
| 387 | M | A | 0.0000 | |
| 388 | W | A | -0.3149 | |
| 389 | I | A | 0.0000 | |
| 390 | K | A | -1.1118 | |
| 391 | H | A | -1.5242 | |
| 392 | S | A | -1.7240 | |
| 393 | D | A | -2.1553 | |
| 394 | G | A | -1.2837 | |
| 395 | S | A | -0.7367 | |
| 396 | V | A | -0.3466 | |
| 397 | A | A | 0.0000 | |
| 398 | T | A | -1.3223 | |
| 399 | D | A | -1.6367 | |
| 400 | S | A | -1.3454 | |
| 401 | S | A | -1.2445 | |
| 402 | G | A | -1.4772 | |
| 403 | N | A | -1.8436 | |
| 404 | P | A | -1.2962 | |
| 405 | L | A | 0.0000 | |
| 406 | Q | A | -0.9932 | |
| 407 | T | A | -0.2131 | |
| 408 | V | A | 0.1296 | |
| 409 | Q | A | -0.6474 | |
| 410 | T | A | -1.5169 | |
| 411 | F | A | -1.6191 | |
| 412 | D | A | -2.3824 | |
| 413 | I | A | 0.0000 | |
| 414 | P | A | -1.5109 | |
| 415 | V | A | -1.8520 | |
| 416 | W | A | 0.0000 | |
| 417 | N | A | -2.7303 | |
| 418 | D | A | -2.3183 | |
| 419 | K | A | -2.1718 | |
| 420 | A | A | -1.2694 | |
| 421 | N | A | -1.8486 | |
| 422 | F | A | 0.0000 | |
| 423 | W | A | 0.0000 | |
| 424 | P | A | -0.1798 | |
| 425 | L | A | 0.3435 | |
| 426 | G | A | -0.3096 | |
| 427 | A | A | -0.0741 | |
| 428 | L | A | -0.5062 | |
| 429 | D | A | -0.7449 | |
| 430 | H | A | 0.0000 | |
| 431 | I | A | 0.4024 | |
| 432 | K | A | -1.5005 | |
| 433 | S | A | -1.5279 | |
| 434 | D | A | -2.3931 | |
| 435 | F | A | 0.0000 | |
| 436 | N | A | -1.2258 | |
| 437 | S | A | -1.3749 | |
| 438 | G | A | 0.0000 | |
| 439 | L | A | 0.0000 | |
| 440 | K | A | -0.8217 | |
| 441 | S | A | -0.5621 | |
| 442 | C | A | 0.0000 | |
| 443 | S | A | -0.0459 | |
| 444 | L | A | 0.0000 | |
| 445 | I | A | 0.6613 | |
| 446 | Y | A | -0.2020 | |
| 447 | Q | A | -1.3883 | |
| 448 | I | A | 0.0000 | |
| 449 | P | A | -1.3469 | |
| 450 | S | A | -1.5495 | |
| 451 | D | A | -1.6170 | |
| 452 | A | A | 0.0000 | |
| 453 | Q | A | -1.6896 | |
| 454 | L | A | 0.0000 | |
| 455 | K | A | -2.4873 | |
| 456 | S | A | -1.5509 | |
| 457 | G | A | -1.8002 | |
| 458 | D | A | 0.0000 | |
| 459 | T | A | -1.0116 | |
| 460 | V | A | 0.0000 | |
| 461 | A | A | 0.0000 | |
| 462 | F | A | 0.0000 | |
| 463 | Q | A | -0.5878 | |
| 464 | V | A | 0.0000 | |
| 465 | L | A | -1.1448 | |
| 466 | D | A | -2.0586 | |
| 467 | E | A | -3.2512 | |
| 468 | N | A | -2.7113 | |
| 469 | G | A | -2.0177 | |
| 470 | N | A | -1.4556 | |
| 471 | V | A | 0.3160 | |
| 472 | L | A | 0.7089 | |
| 473 | A | A | 0.0000 | |
| 474 | D | A | -1.1084 | |
| 475 | D | A | -1.6921 | |
| 476 | N | A | -2.6899 | |
| 477 | T | A | -2.1338 | |
| 478 | E | A | -2.9410 | |
| 479 | T | A | -2.2363 | |
| 480 | Q | A | -2.2200 | |
| 481 | R | A | -2.2333 | |
| 482 | Y | A | -0.8319 | |
| 483 | T | A | 0.0000 | |
| 484 | T | A | -0.4179 | |
| 485 | V | A | 0.0000 | |
| 486 | S | A | -0.0213 | |
| 487 | I | A | 0.0000 | |
| 488 | Q | A | -0.8604 | |
| 489 | Y | A | 0.0000 | |
| 490 | K | A | -2.4614 | |
| 491 | F | A | 0.0000 | |
| 492 | E | A | -3.6571 | |
| 493 | D | A | -3.3934 | |
| 494 | G | A | -2.2590 | |
| 495 | S | A | -2.1097 | |
| 496 | E | A | -2.6550 | |
| 497 | I | A | 0.0000 | |
| 498 | P | A | -1.0238 | |
| 499 | N | A | 0.0000 | |
| 500 | T | A | -0.4515 | |
| 501 | A | A | -0.5969 | |
| 502 | G | A | -0.4914 | |
| 503 | G | A | 0.0000 | |
| 504 | T | A | -0.3340 | |
| 505 | F | A | 0.0000 | |
| 506 | T | A | -0.5711 | |
| 507 | V | A | 0.0000 | |
| 508 | P | A | -0.5934 | |
| 509 | Y | A | -0.4495 | |
| 510 | G | A | -0.6351 | |
| 511 | T | A | -1.3455 | |
| 512 | K | A | -3.0486 | |
| 513 | L | A | 0.0000 | |
| 514 | D | A | -2.8615 | |
| 515 | L | A | 0.0000 | |
| 516 | T | A | -0.8017 | |
| 517 | P | A | -0.7933 | |
| 518 | A | A | 0.0000 | |
| 519 | K | A | -2.4432 | |
| 520 | T | A | -2.0736 | |
| 521 | L | A | 0.0000 | |
| 522 | Y | A | -1.4355 | |
| 523 | D | A | -2.6663 | |
| 524 | Y | A | 0.0000 | |
| 525 | E | A | -3.2018 | |
| 526 | F | A | -2.0187 | |
| 527 | I | A | -1.2321 | |
| 528 | K | A | -1.9360 | |
| 529 | V | A | -1.2385 | |
| 530 | D | A | -2.1451 | |
| 531 | G | A | -1.4894 | |
| 532 | L | A | -2.1530 | |
| 533 | N | A | -3.3321 | |
| 534 | K | A | -3.1739 | |
| 535 | P | A | -1.5889 | |
| 536 | I | A | 0.0000 | |
| 537 | V | A | 0.7628 | |
| 538 | S | A | -0.3364 | |
| 539 | D | A | -1.5231 | |
| 540 | G | A | -0.8908 | |
| 541 | T | A | 0.0107 | |
| 542 | V | A | 0.4577 | |
| 543 | V | A | 0.0000 | |
| 544 | T | A | -0.7088 | |
| 545 | Y | A | 0.0000 | |
| 546 | Y | A | -2.1486 | |
| 547 | Y | A | 0.0000 | |
| 548 | K | A | -3.4248 | |
| 549 | N | A | -3.0509 |
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 | -0.6498 | 2.6203 | View | CSV | PDB |
| 4.5 | -0.7147 | 2.5589 | View | CSV | PDB |
| 5.0 | -0.7891 | 2.4923 | View | CSV | PDB |
| 5.5 | -0.8614 | 2.4245 | View | CSV | PDB |
| 6.0 | -0.9186 | 2.3592 | View | CSV | PDB |
| 6.5 | -0.9508 | 2.2997 | View | CSV | PDB |
| 7.0 | -0.9578 | 2.2476 | View | CSV | PDB |
| 7.5 | -0.9473 | 2.2029 | View | CSV | PDB |
| 8.0 | -0.9249 | 2.1678 | View | CSV | PDB |
| 8.5 | -0.8913 | 2.1458 | View | CSV | PDB |
| 9.0 | -0.8458 | 2.1354 | 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