| Chain sequence(s) |
A: STEQSIQLTLGPWYSNDGKYSNPTIPVYTIQKTRSDTENMVVVVCGEGYTKSQQGKFINDVKRLWQDAMKYEPYRSYADRFNVYALCTASESTFDNGGSTFFDVIVDKYNSPVISNNLHGSQWKNHIFERCIGPEFIEKIHDAHIKKKCDPNTIPSGSEYEPYYYVHDYIAQFAMVVNTKSDFGGAYNNREYGFHYFISPSDSYRASKTFAHEFGHGLLGLGDEYSNGYLLDDKELKSLNLSSVEDPEKIKWRQLLGFRNTYTCRNAYGSKMLVSSYECIMRDTNYQFCEVCRLQGFKRMSQLVKDVDLYVATPEVKEYTGAYSKPSDFTDLETSSYYNYTYNRNDRLLSGNSKSRFNTNMNGKKIELRTVIQNISDKNARQLKFKMWIKHSDGSVATDSSGNPLQTVQTFDIPVWNDKANFWPLGALDHIKSDFNSGLKSCSLIYQIPSDAQLKSGDTVAFQVLDENGNVLADDNTETQRYTTVSIQYKFEDGSEIPNTAGGTFTVPYGTKLDLTPAKTLYDYEFIKVDGLNKPIVSDGTVVTYYYKN
B: MKKVMVSRDEVWEILEGALKKIEESGILSKENFEYLKWQMVHVFIANFYYGGEEYEMEEAVNIFLGHFRDIVYQMEHDKKISKEQGEKVYKIFADYIKPLATGK input PDB |
| Selected Chain(s) | A,B |
| 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 all 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 (00:10:59)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ea78580f3d3f392/tmp/folded.pdb (00:10:59)
[INFO] Main: Simulation completed successfully. (00:14:26)
|
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 | -0.9401 | |
| 2 | T | A | -1.1100 | |
| 3 | E | A | -1.9658 | |
| 4 | Q | A | -1.4206 | |
| 5 | S | A | -0.9500 | |
| 6 | I | A | 0.0000 | |
| 7 | Q | A | -1.0956 | |
| 8 | L | A | 0.0000 | |
| 9 | T | A | -0.9435 | |
| 10 | L | A | 0.0000 | |
| 11 | G | A | -0.8812 | |
| 12 | P | A | -1.3803 | |
| 13 | W | A | -0.9983 | |
| 14 | Y | A | 0.0000 | |
| 15 | S | A | 0.0000 | |
| 16 | N | A | -2.4707 | |
| 17 | D | A | -2.5471 | |
| 18 | G | A | -2.3582 | |
| 19 | K | A | -2.8773 | |
| 20 | Y | A | 0.0000 | |
| 21 | S | A | -1.7517 | |
| 22 | N | A | -1.8168 | |
| 23 | P | A | -1.1073 | |
| 24 | T | A | -0.6430 | |
| 25 | I | A | 0.0000 | |
| 26 | P | A | 0.0000 | |
| 27 | V | A | 0.0000 | |
| 28 | Y | A | 0.0199 | |
| 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 | -0.7466 | |
| 35 | S | A | -0.7961 | |
| 36 | D | A | 0.0000 | |
| 37 | T | A | -0.5195 | |
| 38 | E | A | -1.1831 | |
| 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 | -1.6645 | |
| 51 | K | A | -2.2917 | |
| 52 | S | A | -1.3628 | |
| 53 | Q | A | -1.3256 | |
| 54 | Q | A | 0.0000 | |
| 55 | G | A | -1.4829 | |
| 56 | K | A | -1.5338 | |
| 57 | F | A | 0.0000 | |
| 58 | I | A | 0.0000 | |
| 59 | N | A | -2.0255 | |
| 60 | D | A | 0.0000 | |
| 61 | V | A | 0.0000 | |
| 62 | K | A | -1.5706 | |
| 63 | R | A | -1.6319 | |
| 64 | L | A | 0.0000 | |
| 65 | W | A | 0.0000 | |
| 66 | Q | A | -1.1207 | |
| 67 | D | A | -1.2120 | |
| 68 | A | A | 0.0000 | |
| 69 | M | A | 0.0000 | |
| 70 | K | A | -1.0789 | |
| 71 | Y | A | -0.8676 | |
| 72 | E | A | -0.7702 | |
| 73 | P | A | 0.0000 | |
| 74 | Y | A | 0.0000 | |
| 75 | R | A | -0.7834 | |
| 76 | S | A | -0.4980 | |
| 77 | Y | A | 0.0000 | |
| 78 | A | A | 0.0000 | |
| 79 | D | A | -0.5950 | |
| 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 | -1.0607 | |
| 90 | S | A | 0.0000 | |
| 91 | E | A | -2.4385 | |
| 92 | S | A | -1.8446 | |
| 93 | T | A | -1.6112 | |
| 94 | F | A | -1.5749 | |
| 95 | D | A | -2.7765 | |
| 96 | N | A | -2.3856 | |
| 97 | G | A | -1.6522 | |
| 98 | G | A | -1.5371 | |
| 99 | S | A | -1.1778 | |
| 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 | 0.8121 | |
| 106 | V | A | 0.2742 | |
| 107 | D | A | -0.8501 | |
| 108 | K | A | -1.9054 | |
| 109 | Y | A | 0.0000 | |
| 110 | N | A | -0.6735 | |
| 111 | S | A | 0.0000 | |
| 112 | P | A | 0.0000 | |
| 113 | V | A | 0.4721 | |
| 114 | I | A | 0.0000 | |
| 115 | S | A | 0.0000 | |
| 116 | N | A | -1.3805 | |
| 117 | N | A | -1.4667 | |
| 118 | L | A | -0.1395 | |
| 119 | H | A | -1.3125 | |
| 120 | G | A | -1.7213 | |
| 121 | S | A | 0.0000 | |
| 122 | Q | A | -1.7675 | |
| 123 | W | A | -0.8533 | |
| 124 | K | A | 0.0000 | |
| 125 | N | A | -0.2848 | |
| 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 | -2.2286 | |
| 139 | K | A | -2.2848 | |
| 140 | I | A | 0.0000 | |
| 141 | H | A | 0.0000 | |
| 142 | D | A | -1.2551 | |
| 143 | A | A | -0.8205 | |
| 144 | H | A | -1.7135 | |
| 145 | I | A | -1.4048 | |
| 146 | K | A | -2.7104 | |
| 147 | K | A | -2.6616 | |
| 148 | K | A | -2.5765 | |
| 149 | C | A | -1.5135 | |
| 150 | D | A | -1.5072 | |
| 151 | P | A | -0.6696 | |
| 152 | N | A | -0.3346 | |
| 153 | T | A | 0.3504 | |
| 154 | I | A | 1.5381 | |
| 155 | P | A | 0.1595 | |
| 156 | S | A | -0.0539 | |
| 157 | G | A | -0.7099 | |
| 158 | S | A | -0.7240 | |
| 159 | E | A | -0.3376 | |
| 160 | Y | A | -0.8693 | |
| 161 | E | A | -1.9869 | |
| 162 | P | A | -1.3463 | |
| 163 | Y | A | 0.0000 | |
| 164 | Y | A | -0.6178 | |
| 165 | Y | A | -0.4738 | |
| 166 | V | A | 0.0000 | |
| 167 | H | A | 0.0000 | |
| 168 | D | A | -0.7165 | |
| 169 | Y | A | -0.2547 | |
| 170 | I | A | 0.0000 | |
| 171 | A | A | -0.0511 | |
| 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 | -1.9513 | |
| 181 | S | A | -1.0414 | |
| 182 | D | A | 0.0000 | |
| 183 | F | A | 0.0000 | |
| 184 | G | A | -0.0170 | |
| 185 | G | A | 0.0000 | |
| 186 | A | A | -0.0816 | |
| 187 | Y | A | -0.1804 | |
| 188 | N | A | -0.9002 | |
| 189 | N | A | -1.4865 | |
| 190 | R | A | 0.0000 | |
| 191 | E | A | -1.8435 | |
| 192 | Y | A | -0.1361 | |
| 193 | G | A | 0.0000 | |
| 194 | F | A | -0.2495 | |
| 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 | -0.8628 | |
| 203 | S | A | 0.0000 | |
| 204 | Y | A | 0.6768 | |
| 205 | R | A | -0.2363 | |
| 206 | A | A | 0.0000 | |
| 207 | S | A | -0.5961 | |
| 208 | K | A | -0.9669 | |
| 209 | T | A | 0.0000 | |
| 210 | F | A | 0.0000 | |
| 211 | A | A | 0.0000 | |
| 212 | H | A | 0.0000 | |
| 213 | E | A | 0.0000 | |
| 214 | F | A | 0.0000 | |
| 215 | G | A | 0.0000 | |
| 216 | H | A | -0.2803 | |
| 217 | G | A | 0.0000 | |
| 218 | L | A | 0.0000 | |
| 219 | L | A | 0.0000 | |
| 220 | G | A | -0.4771 | |
| 221 | L | A | 0.0000 | |
| 222 | G | A | -0.3654 | |
| 223 | D | A | -0.5033 | |
| 224 | E | A | 0.0000 | |
| 225 | Y | A | 0.0000 | |
| 226 | S | A | -0.4148 | |
| 227 | N | A | -0.6316 | |
| 228 | G | A | -0.1108 | |
| 229 | Y | A | 0.5912 | |
| 230 | L | A | 0.0000 | |
| 231 | L | A | 0.0556 | |
| 232 | D | A | -2.3038 | |
| 233 | D | A | -3.0278 | |
| 234 | K | A | -2.5215 | |
| 235 | E | A | -1.4492 | |
| 236 | L | A | -1.6617 | |
| 237 | K | A | -1.7372 | |
| 238 | S | A | -0.9823 | |
| 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 | -0.7386 | |
| 245 | E | A | -2.0379 | |
| 246 | D | A | -2.3128 | |
| 247 | P | A | 0.0000 | |
| 248 | E | A | -3.5286 | |
| 249 | K | A | -3.2260 | |
| 250 | I | A | 0.0000 | |
| 251 | K | A | -1.6412 | |
| 252 | W | A | 0.0000 | |
| 253 | R | A | -2.6802 | |
| 254 | Q | A | -1.6044 | |
| 255 | L | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | G | A | 0.0000 | |
| 258 | F | A | 0.0000 | |
| 259 | R | A | -0.6329 | |
| 260 | N | A | -0.5220 | |
| 261 | T | A | 0.0000 | |
| 262 | Y | A | 0.0000 | |
| 263 | T | A | 0.0000 | |
| 264 | C | A | 0.0000 | |
| 265 | R | A | -1.0512 | |
| 266 | N | A | 0.0000 | |
| 267 | A | A | 0.0000 | |
| 268 | Y | A | 0.1845 | |
| 269 | G | A | -0.6046 | |
| 270 | S | A | 0.0000 | |
| 271 | K | A | -1.5132 | |
| 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 | 0.0000 | |
| 278 | E | A | -0.7681 | |
| 279 | C | A | 0.0000 | |
| 280 | I | A | 0.0000 | |
| 281 | M | A | 0.0000 | |
| 282 | R | A | 0.0000 | |
| 283 | D | A | 0.0000 | |
| 284 | T | A | 0.0000 | |
| 285 | N | A | -1.5809 | |
| 286 | Y | A | -1.1007 | |
| 287 | Q | A | -1.4956 | |
| 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 | -0.4525 | |
| 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 | 0.0000 | |
| 303 | L | A | 0.0000 | |
| 304 | V | A | 0.0000 | |
| 305 | K | A | -2.7874 | |
| 306 | D | A | -2.8716 | |
| 307 | V | A | -1.7186 | |
| 308 | D | A | -2.5815 | |
| 309 | L | A | -0.6031 | |
| 310 | Y | A | 0.0000 | |
| 311 | V | A | 0.3776 | |
| 312 | A | A | 0.0000 | |
| 313 | T | A | 0.0000 | |
| 314 | P | A | 0.0000 | |
| 315 | E | A | 0.0000 | |
| 316 | V | A | 0.0000 | |
| 317 | K | A | 0.0000 | |
| 318 | E | A | -0.7761 | |
| 319 | Y | A | -0.3510 | |
| 320 | T | A | -0.4183 | |
| 321 | G | A | -0.6136 | |
| 322 | A | A | -0.4953 | |
| 323 | Y | A | -0.6853 | |
| 324 | S | A | -1.0478 | |
| 325 | K | A | -2.2467 | |
| 326 | P | A | -2.2213 | |
| 327 | S | A | -1.7214 | |
| 328 | D | A | -1.7034 | |
| 329 | F | A | 0.0000 | |
| 330 | T | A | -1.9900 | |
| 331 | D | A | -2.3712 | |
| 332 | L | A | 0.0000 | |
| 333 | E | A | -1.3126 | |
| 334 | T | A | 0.0000 | |
| 335 | S | A | -0.6794 | |
| 336 | S | A | -1.1162 | |
| 337 | Y | A | 0.0000 | |
| 338 | Y | A | 0.0000 | |
| 339 | N | A | -1.1050 | |
| 340 | Y | A | 0.0000 | |
| 341 | T | A | 0.0000 | |
| 342 | Y | A | -0.1365 | |
| 343 | N | A | -0.8427 | |
| 344 | R | A | 0.0000 | |
| 345 | N | A | -1.6986 | |
| 346 | D | A | -2.0958 | |
| 347 | R | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | L | A | 0.0000 | |
| 350 | S | A | 0.0000 | |
| 351 | G | A | -1.5674 | |
| 352 | N | A | -1.9147 | |
| 353 | S | A | -1.5819 | |
| 354 | K | A | -1.4659 | |
| 355 | S | A | -1.4249 | |
| 356 | R | A | -1.9893 | |
| 357 | F | A | 0.0000 | |
| 358 | N | A | -2.0355 | |
| 359 | T | A | -1.8750 | |
| 360 | N | A | -1.9781 | |
| 361 | M | A | 0.0000 | |
| 362 | N | A | -1.9388 | |
| 363 | G | A | -1.7124 | |
| 364 | K | A | -2.0104 | |
| 365 | K | A | -1.3873 | |
| 366 | I | A | 0.0000 | |
| 367 | E | A | 0.0000 | |
| 368 | L | A | 0.0000 | |
| 369 | R | A | -0.1146 | |
| 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 | -2.5382 | |
| 377 | D | A | -3.4894 | |
| 378 | K | A | -3.2903 | |
| 379 | N | A | -2.4659 | |
| 380 | A | A | -1.6633 | |
| 381 | R | A | -2.2306 | |
| 382 | Q | A | -2.7665 | |
| 383 | L | A | 0.0000 | |
| 384 | K | A | -2.0768 | |
| 385 | F | A | 0.0000 | |
| 386 | K | A | -0.5623 | |
| 387 | M | A | 0.0000 | |
| 388 | W | A | -0.0789 | |
| 389 | I | A | 0.0000 | |
| 390 | K | A | -1.0334 | |
| 391 | H | A | -1.4490 | |
| 392 | S | A | -1.6918 | |
| 393 | D | A | -2.1405 | |
| 394 | G | A | -1.2751 | |
| 395 | S | A | -0.7306 | |
| 396 | V | A | -0.2654 | |
| 397 | A | A | 0.0000 | |
| 398 | T | A | -1.3078 | |
| 399 | D | A | -1.6980 | |
| 400 | S | A | -1.4153 | |
| 401 | S | A | -1.2729 | |
| 402 | G | A | -1.5108 | |
| 403 | N | A | -1.7690 | |
| 404 | P | A | -1.1715 | |
| 405 | L | A | 0.0000 | |
| 406 | Q | A | -0.5136 | |
| 407 | T | A | 0.0882 | |
| 408 | V | A | 0.3225 | |
| 409 | Q | A | -0.6248 | |
| 410 | T | A | -1.5555 | |
| 411 | F | A | -1.6708 | |
| 412 | D | A | -2.3991 | |
| 413 | I | A | 0.0000 | |
| 414 | P | A | -1.4243 | |
| 415 | V | A | -1.6360 | |
| 416 | W | A | 0.0000 | |
| 417 | N | A | -2.6656 | |
| 418 | D | A | -2.3200 | |
| 419 | K | A | -1.9612 | |
| 420 | A | A | -1.2449 | |
| 421 | N | A | -1.9270 | |
| 422 | F | A | 0.0000 | |
| 423 | W | A | 0.0000 | |
| 424 | P | A | -0.0969 | |
| 425 | L | A | 0.4447 | |
| 426 | G | A | -0.2462 | |
| 427 | A | A | 0.0110 | |
| 428 | L | A | -0.2837 | |
| 429 | D | A | -0.6700 | |
| 430 | H | A | 0.0000 | |
| 431 | I | A | 0.1845 | |
| 432 | K | A | -1.9539 | |
| 433 | S | A | -1.7472 | |
| 434 | D | A | -2.4659 | |
| 435 | F | A | 0.0000 | |
| 436 | N | A | -1.2518 | |
| 437 | S | A | -1.3455 | |
| 438 | G | A | 0.0000 | |
| 439 | L | A | 0.0000 | |
| 440 | K | A | -0.9349 | |
| 441 | S | A | -0.6208 | |
| 442 | C | A | 0.0000 | |
| 443 | S | A | -0.0141 | |
| 444 | L | A | 0.0000 | |
| 445 | I | A | 0.7963 | |
| 446 | Y | A | -0.0884 | |
| 447 | Q | A | -1.4469 | |
| 448 | I | A | 0.0000 | |
| 449 | P | A | -1.3881 | |
| 450 | S | A | -1.5739 | |
| 451 | D | A | -1.6393 | |
| 452 | A | A | 0.0000 | |
| 453 | Q | A | -1.8880 | |
| 454 | L | A | -1.8778 | |
| 455 | K | A | -2.4282 | |
| 456 | S | A | -1.4871 | |
| 457 | G | A | -1.7320 | |
| 458 | D | A | 0.0000 | |
| 459 | T | A | -0.9716 | |
| 460 | V | A | 0.0000 | |
| 461 | A | A | 0.0000 | |
| 462 | F | A | 0.0000 | |
| 463 | Q | A | -0.5514 | |
| 464 | V | A | 0.0000 | |
| 465 | L | A | -1.1447 | |
| 466 | D | A | -2.0869 | |
| 467 | E | A | -3.2806 | |
| 468 | N | A | -2.7192 | |
| 469 | G | A | -2.0255 | |
| 470 | N | A | -1.5312 | |
| 471 | V | A | 0.3412 | |
| 472 | L | A | 0.7169 | |
| 473 | A | A | 0.0000 | |
| 474 | D | A | -0.9805 | |
| 475 | D | A | -1.5361 | |
| 476 | N | A | -2.5138 | |
| 477 | T | A | -1.8496 | |
| 478 | E | A | -2.3432 | |
| 479 | T | A | -1.9575 | |
| 480 | Q | A | -2.0440 | |
| 481 | R | A | -2.1340 | |
| 482 | Y | A | -0.7082 | |
| 483 | T | A | 0.0000 | |
| 484 | T | A | -0.4553 | |
| 485 | V | A | 0.0000 | |
| 486 | S | A | -0.0743 | |
| 487 | I | A | 0.0000 | |
| 488 | Q | A | -0.8721 | |
| 489 | Y | A | 0.0000 | |
| 490 | K | A | -2.4736 | |
| 491 | F | A | 0.0000 | |
| 492 | E | A | -3.7185 | |
| 493 | D | A | -3.4319 | |
| 494 | G | A | -2.2598 | |
| 495 | S | A | -2.1014 | |
| 496 | E | A | -2.6388 | |
| 497 | I | A | 0.0000 | |
| 498 | P | A | -1.0230 | |
| 499 | N | A | 0.0000 | |
| 500 | T | A | -0.4481 | |
| 501 | A | A | -0.6056 | |
| 502 | G | A | -0.4956 | |
| 503 | G | A | 0.0000 | |
| 504 | T | A | -0.3827 | |
| 505 | F | A | 0.0000 | |
| 506 | T | A | 0.0000 | |
| 507 | V | A | 0.0000 | |
| 508 | P | A | -0.5435 | |
| 509 | Y | A | -0.3785 | |
| 510 | G | A | -0.6213 | |
| 511 | T | A | -1.3412 | |
| 512 | K | A | -3.0562 | |
| 513 | L | A | 0.0000 | |
| 514 | D | A | -2.8633 | |
| 515 | L | A | 0.0000 | |
| 516 | T | A | -0.7979 | |
| 517 | P | A | -0.7587 | |
| 518 | A | A | 0.0000 | |
| 519 | K | A | -2.3766 | |
| 520 | T | A | -2.0458 | |
| 521 | L | A | 0.0000 | |
| 522 | Y | A | -1.4763 | |
| 523 | D | A | -2.7084 | |
| 524 | Y | A | 0.0000 | |
| 525 | E | A | -3.1652 | |
| 526 | F | A | -1.9386 | |
| 527 | I | A | -1.2159 | |
| 528 | K | A | -1.8830 | |
| 529 | V | A | -1.1917 | |
| 530 | D | A | -2.1501 | |
| 531 | G | A | -1.5245 | |
| 532 | L | A | -2.2727 | |
| 533 | N | A | -3.3305 | |
| 534 | K | A | -3.2008 | |
| 535 | P | A | -1.6127 | |
| 536 | I | A | 0.0000 | |
| 537 | V | A | 0.7706 | |
| 538 | S | A | -0.3268 | |
| 539 | D | A | -1.5228 | |
| 540 | G | A | -0.9220 | |
| 541 | T | A | -0.0534 | |
| 542 | V | A | 0.3035 | |
| 543 | V | A | 0.0000 | |
| 544 | T | A | 0.0000 | |
| 545 | Y | A | 0.0000 | |
| 546 | Y | A | -2.1606 | |
| 547 | Y | A | 0.0000 | |
| 548 | K | A | -3.6683 | |
| 549 | N | A | -3.1781 | |
| 1 | M | B | -0.1858 | |
| 2 | K | B | -1.9044 | |
| 3 | K | B | -2.3628 | |
| 4 | V | B | -1.1717 | |
| 5 | M | B | -1.2689 | |
| 6 | V | B | 0.0000 | |
| 7 | S | B | -2.3457 | |
| 8 | R | B | -2.4151 | |
| 9 | D | B | -2.7690 | |
| 10 | E | B | -2.6232 | |
| 11 | V | B | 0.0000 | |
| 12 | W | B | 0.0000 | |
| 13 | E | B | -2.7779 | |
| 14 | I | B | 0.0000 | |
| 15 | L | B | 0.0000 | |
| 16 | E | B | -2.0330 | |
| 17 | G | B | -1.6740 | |
| 18 | A | B | 0.0000 | |
| 19 | L | B | 0.0000 | |
| 20 | K | B | -3.1151 | |
| 21 | K | B | -2.7699 | |
| 22 | I | B | 0.0000 | |
| 23 | E | B | -3.5322 | |
| 24 | E | B | -3.2974 | |
| 25 | S | B | -2.0061 | |
| 26 | G | B | -1.6532 | |
| 27 | I | B | -1.0073 | |
| 28 | L | B | -1.5852 | |
| 29 | S | B | -1.9816 | |
| 30 | K | B | -3.0473 | |
| 31 | E | B | -3.1646 | |
| 32 | N | B | -2.0809 | |
| 33 | F | B | 0.0000 | |
| 34 | E | B | -2.0697 | |
| 35 | Y | B | -1.1907 | |
| 36 | L | B | 0.0000 | |
| 37 | K | B | -1.3638 | |
| 38 | W | B | -0.3238 | |
| 39 | Q | B | 0.0000 | |
| 40 | M | B | 0.0000 | |
| 41 | V | B | 0.0000 | |
| 42 | H | B | -0.2676 | |
| 43 | V | B | 0.0000 | |
| 44 | F | B | 0.0000 | |
| 45 | I | B | 0.0000 | |
| 46 | A | B | 0.0116 | |
| 47 | N | B | -0.1145 | |
| 48 | F | B | 0.0000 | |
| 49 | Y | B | 0.1508 | |
| 50 | Y | B | 0.8593 | |
| 51 | G | B | -0.6524 | |
| 52 | G | B | -1.7433 | |
| 53 | E | B | -2.9333 | |
| 54 | E | B | -3.0863 | |
| 55 | Y | B | -2.1151 | |
| 56 | E | B | -1.6606 | |
| 57 | M | B | 0.0000 | |
| 58 | E | B | -2.2388 | |
| 59 | E | B | -2.6174 | |
| 60 | A | B | 0.0000 | |
| 61 | V | B | 0.0000 | |
| 62 | N | B | -2.1115 | |
| 63 | I | B | 0.0000 | |
| 64 | F | B | 0.0000 | |
| 65 | L | B | -0.8804 | |
| 66 | G | B | 0.0000 | |
| 67 | H | B | 0.0000 | |
| 68 | F | B | 0.0000 | |
| 69 | R | B | -1.1519 | |
| 70 | D | B | 0.0000 | |
| 71 | I | B | 0.0000 | |
| 72 | V | B | 0.0000 | |
| 73 | Y | B | -0.5910 | |
| 74 | Q | B | 0.0000 | |
| 75 | M | B | 0.0000 | |
| 76 | E | B | -2.4497 | |
| 77 | H | B | -1.6213 | |
| 78 | D | B | -2.1143 | |
| 79 | K | B | -3.2024 | |
| 80 | K | B | -3.3024 | |
| 81 | I | B | 0.0000 | |
| 82 | S | B | -2.8872 | |
| 83 | K | B | -3.8045 | |
| 84 | E | B | -3.7101 | |
| 85 | Q | B | -2.9567 | |
| 86 | G | B | 0.0000 | |
| 87 | E | B | -3.9724 | |
| 88 | K | B | -3.1342 | |
| 89 | V | B | 0.0000 | |
| 90 | Y | B | -2.1455 | |
| 91 | K | B | -2.9321 | |
| 92 | I | B | -1.6740 | |
| 93 | F | B | 0.0000 | |
| 94 | A | B | 0.0000 | |
| 95 | D | B | -2.3782 | |
| 96 | Y | B | -1.1501 | |
| 97 | I | B | 0.0000 | |
| 98 | K | B | -2.4985 | |
| 99 | P | B | -1.6696 | |
| 100 | L | B | -1.0272 | |
| 101 | A | B | -1.7529 | |
| 102 | T | B | -1.3817 | |
| 103 | G | B | -1.6982 | |
| 104 | K | B | -2.0545 |
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 | -0.7768 | 2.6293 | View | CSV | PDB |
| 4.5 | -0.8465 | 2.5767 | View | CSV | PDB |
| 5.0 | -0.9273 | 2.5191 | View | CSV | PDB |
| 5.5 | -1.0043 | 2.4591 | View | CSV | PDB |
| 6.0 | -1.0607 | 2.399 | View | CSV | PDB |
| 6.5 | -1.084 | 2.3414 | View | CSV | PDB |
| 7.0 | -1.0745 | 2.289 | View | CSV | PDB |
| 7.5 | -1.0432 | 2.2441 | View | CSV | PDB |
| 8.0 | -0.9991 | 2.2095 | View | CSV | PDB |
| 8.5 | -0.9446 | 2.1884 | View | CSV | PDB |
| 9.0 | -0.88 | 2.1788 | 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