| Chain sequence(s) |
A: LMMHSQKRVVVLGSGVIGLSSALILARKGYSVHILARDLPEDVSSQTFASPWAGANWTPFMTLTDGPRQAKWEESTFKKWVELVPTGHAMWLKGTRRFAQNEDGLLGHWYKDITPNYRPLPSSECPPGAIGVTYDTLSVHAPKYCQYLARELQKLGATFERRTVTSLEQAFDGADLVVNATGLGAKSIAGIDDQAAEPIRGQTVLVKSPCKRCTMDSSDPASPAYIIPRPGGEVICGGTYGVGDWDLSVNPETVQRILKHCLRLDPTISSDGTIEGIEVLRHNVGLRPARRGGPRVEAERIVLPLDRTKSPLSLGRGSARAAKEKEVTLVHAYGFSSAGYQQSWGAAEDVAQLVDEAFQRYHGA
B: LMMHSQKRVVVLGSGVIGLSSALILARKGYSVHILARDLPEDVSSQTFASPWAGANWTPFMTLTDGPRQAKWEESTFKKWVELVPTGHAMWLKGTRRFAQNEDGLLGHWYKDITPNYRPLPSSECPPGAIGVTYDTLSVHAPKYCQYLARELQKLGATFERRTVTSLEQAFDGADLVVNATGLGAKSIAGIDDQAAEPIRGQTVLVKSPCKRCTMDSSDPASPAYIIPRPGGEVICGGTYGVGDWDLSVNPETVQRILKHCLRLDPTISSDGTIEGIEVLRHNVGLRPARRGGPRVEAERIVLPLDRTKSPLSLGRGSARAAKEKEVTLVHAYGFSSAGYQQSWGAAEDVAQLVDEAFQRYHG 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] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:08:25)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/f58900eb99d08c0/tmp/folded.pdb (00:08:25)
[INFO] Main: Simulation completed successfully. (00:12:05)
|
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 | L | A | 2.1717 | |
| 2 | M | A | 2.0445 | |
| 3 | M | A | 1.2615 | |
| 4 | H | A | -0.6172 | |
| 5 | S | A | -1.5112 | |
| 6 | Q | A | -2.2012 | |
| 7 | K | A | -2.7242 | |
| 8 | R | A | -3.1018 | |
| 9 | V | A | 0.0000 | |
| 10 | V | A | 0.0000 | |
| 11 | V | A | 0.0000 | |
| 12 | L | A | 0.0000 | |
| 13 | G | A | -0.4675 | |
| 14 | S | A | 0.0000 | |
| 15 | G | A | -0.0494 | |
| 16 | V | A | 0.0000 | |
| 17 | I | A | 0.0000 | |
| 18 | G | A | 0.0000 | |
| 19 | L | A | 0.0000 | |
| 20 | S | A | 0.0000 | |
| 21 | S | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | I | A | -1.1896 | |
| 25 | L | A | 0.0000 | |
| 26 | A | A | 0.0000 | |
| 27 | R | A | -2.4918 | |
| 28 | K | A | -2.3885 | |
| 29 | G | A | -1.9459 | |
| 30 | Y | A | 0.0000 | |
| 31 | S | A | -1.7988 | |
| 32 | V | A | 0.0000 | |
| 33 | H | A | -0.8751 | |
| 34 | I | A | 0.0000 | |
| 35 | L | A | 0.0000 | |
| 36 | A | A | 0.0000 | |
| 37 | R | A | -1.7175 | |
| 38 | D | A | 0.0000 | |
| 39 | L | A | 0.0000 | |
| 40 | P | A | 0.0000 | |
| 41 | E | A | -1.8929 | |
| 42 | D | A | -0.8197 | |
| 43 | V | A | 0.0963 | |
| 44 | S | A | -0.0305 | |
| 45 | S | A | -0.2112 | |
| 46 | Q | A | -0.0447 | |
| 47 | T | A | -0.1679 | |
| 48 | F | A | 0.1415 | |
| 49 | A | A | 0.1151 | |
| 50 | S | A | 0.0000 | |
| 51 | P | A | -0.1589 | |
| 52 | W | A | 0.2638 | |
| 53 | A | A | 0.0328 | |
| 54 | G | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | N | A | 0.0000 | |
| 57 | W | A | 0.0000 | |
| 58 | T | A | 0.0000 | |
| 59 | P | A | 0.0000 | |
| 60 | F | A | 0.5462 | |
| 61 | M | A | 0.2380 | |
| 62 | T | A | -0.1442 | |
| 63 | L | A | 0.3644 | |
| 64 | T | A | -0.4144 | |
| 65 | D | A | -1.4180 | |
| 66 | G | A | 0.0000 | |
| 67 | P | A | -0.8491 | |
| 68 | R | A | -1.4895 | |
| 69 | Q | A | 0.0000 | |
| 70 | A | A | 0.0000 | |
| 71 | K | A | -2.1517 | |
| 72 | W | A | 0.0000 | |
| 73 | E | A | 0.0000 | |
| 74 | E | A | -2.2658 | |
| 75 | S | A | -1.6888 | |
| 76 | T | A | 0.0000 | |
| 77 | F | A | 0.0000 | |
| 78 | K | A | -2.2963 | |
| 79 | K | A | -1.6695 | |
| 80 | W | A | 0.0000 | |
| 81 | V | A | -0.8250 | |
| 82 | E | A | -2.0634 | |
| 83 | L | A | 0.0000 | |
| 84 | V | A | -0.3096 | |
| 85 | P | A | -0.5637 | |
| 86 | T | A | -0.6346 | |
| 87 | G | A | -0.7906 | |
| 88 | H | A | -0.9386 | |
| 89 | A | A | 0.0000 | |
| 90 | M | A | -0.2311 | |
| 91 | W | A | -0.4351 | |
| 92 | L | A | 0.0000 | |
| 93 | K | A | -2.3743 | |
| 94 | G | A | -1.8339 | |
| 95 | T | A | 0.0000 | |
| 96 | R | A | -0.9511 | |
| 97 | R | A | 0.0000 | |
| 98 | F | A | 0.0000 | |
| 99 | A | A | 0.0000 | |
| 100 | Q | A | -2.5172 | |
| 101 | N | A | -2.9103 | |
| 102 | E | A | -3.4170 | |
| 103 | D | A | -3.3579 | |
| 104 | G | A | -2.1916 | |
| 105 | L | A | 0.0000 | |
| 106 | L | A | -0.9958 | |
| 107 | G | A | -1.2320 | |
| 108 | H | A | -1.7430 | |
| 109 | W | A | -0.6527 | |
| 110 | Y | A | 0.0000 | |
| 111 | K | A | -3.0765 | |
| 112 | D | A | -2.8001 | |
| 113 | I | A | -1.7881 | |
| 114 | T | A | 0.0000 | |
| 115 | P | A | -1.8114 | |
| 116 | N | A | -2.4382 | |
| 117 | Y | A | -2.2786 | |
| 118 | R | A | -2.4594 | |
| 119 | P | A | -1.2316 | |
| 120 | L | A | -0.9318 | |
| 121 | P | A | -0.9830 | |
| 122 | S | A | -0.9664 | |
| 123 | S | A | -1.2412 | |
| 124 | E | A | -1.9973 | |
| 125 | C | A | -0.9931 | |
| 126 | P | A | -0.9971 | |
| 127 | P | A | -0.8186 | |
| 128 | G | A | -0.9216 | |
| 129 | A | A | -1.2273 | |
| 130 | I | A | -0.9018 | |
| 131 | G | A | 0.0000 | |
| 132 | V | A | 0.0000 | |
| 133 | T | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | D | A | 0.0000 | |
| 136 | T | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | S | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | H | A | -0.9779 | |
| 141 | A | A | 0.0000 | |
| 142 | P | A | -0.9452 | |
| 143 | K | A | -1.9015 | |
| 144 | Y | A | 0.0000 | |
| 145 | C | A | 0.0000 | |
| 146 | Q | A | -1.5236 | |
| 147 | Y | A | -1.2938 | |
| 148 | L | A | 0.0000 | |
| 149 | A | A | -1.8622 | |
| 150 | R | A | -2.8304 | |
| 151 | E | A | -2.4341 | |
| 152 | L | A | 0.0000 | |
| 153 | Q | A | -2.7147 | |
| 154 | K | A | -2.7278 | |
| 155 | L | A | -1.7020 | |
| 156 | G | A | -1.4474 | |
| 157 | A | A | 0.0000 | |
| 158 | T | A | -0.5142 | |
| 159 | F | A | -0.4029 | |
| 160 | E | A | -1.3653 | |
| 161 | R | A | -2.2095 | |
| 162 | R | A | -1.6395 | |
| 163 | T | A | -1.0300 | |
| 164 | V | A | 0.0000 | |
| 165 | T | A | -0.2026 | |
| 166 | S | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | E | A | -1.2632 | |
| 169 | Q | A | -1.3307 | |
| 170 | A | A | 0.0000 | |
| 171 | F | A | 0.0000 | |
| 172 | D | A | -2.6043 | |
| 173 | G | A | -2.1242 | |
| 174 | A | A | 0.0000 | |
| 175 | D | A | -2.9051 | |
| 176 | L | A | 0.0000 | |
| 177 | V | A | 0.0000 | |
| 178 | V | A | 0.0000 | |
| 179 | N | A | 0.0000 | |
| 180 | A | A | 0.0000 | |
| 181 | T | A | -0.1760 | |
| 182 | G | A | -0.1457 | |
| 183 | L | A | -0.1839 | |
| 184 | G | A | -0.1784 | |
| 185 | A | A | 0.0000 | |
| 186 | K | A | -0.9047 | |
| 187 | S | A | -0.5090 | |
| 188 | I | A | 0.0000 | |
| 189 | A | A | 0.0000 | |
| 190 | G | A | 0.0000 | |
| 191 | I | A | -0.3159 | |
| 192 | D | A | -0.8393 | |
| 193 | D | A | 0.0000 | |
| 194 | Q | A | -1.7599 | |
| 195 | A | A | -1.6213 | |
| 196 | A | A | 0.0000 | |
| 197 | E | A | -0.9148 | |
| 198 | P | A | 0.0000 | |
| 199 | I | A | 0.6576 | |
| 200 | R | A | 0.0000 | |
| 201 | G | A | 0.2532 | |
| 202 | Q | A | 0.0000 | |
| 203 | T | A | 0.0000 | |
| 204 | V | A | 0.0000 | |
| 205 | L | A | -0.1548 | |
| 206 | V | A | 0.0000 | |
| 207 | K | A | -1.4940 | |
| 208 | S | A | 0.0000 | |
| 209 | P | A | -1.1601 | |
| 210 | C | A | -1.2657 | |
| 211 | K | A | -2.1922 | |
| 212 | R | A | -2.0675 | |
| 213 | C | A | 0.0000 | |
| 214 | T | A | 0.0000 | |
| 215 | M | A | 0.0000 | |
| 216 | D | A | 0.0000 | |
| 217 | S | A | -0.7968 | |
| 218 | S | A | 0.0000 | |
| 219 | D | A | -1.0540 | |
| 220 | P | A | -0.7548 | |
| 221 | A | A | -0.2912 | |
| 222 | S | A | -0.3495 | |
| 223 | P | A | -0.2793 | |
| 224 | A | A | 0.0000 | |
| 225 | Y | A | 0.0000 | |
| 226 | I | A | 0.0000 | |
| 227 | I | A | 0.0000 | |
| 228 | P | A | 0.0000 | |
| 229 | R | A | -0.7217 | |
| 230 | P | A | -0.9678 | |
| 231 | G | A | -0.9611 | |
| 232 | G | A | -1.1942 | |
| 233 | E | A | -1.1859 | |
| 234 | V | A | 0.0000 | |
| 235 | I | A | 0.0000 | |
| 236 | C | A | 0.0000 | |
| 237 | G | A | 0.0000 | |
| 238 | G | A | 0.0000 | |
| 239 | T | A | 0.4456 | |
| 240 | Y | A | 0.8980 | |
| 241 | G | A | 0.7514 | |
| 242 | V | A | 1.5491 | |
| 243 | G | A | 0.2094 | |
| 244 | D | A | -0.4945 | |
| 245 | W | A | -0.4109 | |
| 246 | D | A | -0.7353 | |
| 247 | L | A | -0.2225 | |
| 248 | S | A | 0.0000 | |
| 249 | V | A | 0.0000 | |
| 250 | N | A | -1.4335 | |
| 251 | P | A | -1.6230 | |
| 252 | E | A | -2.3696 | |
| 253 | T | A | -1.6501 | |
| 254 | V | A | 0.0000 | |
| 255 | Q | A | -2.1136 | |
| 256 | R | A | -1.8523 | |
| 257 | I | A | 0.0000 | |
| 258 | L | A | 0.0000 | |
| 259 | K | A | -2.3767 | |
| 260 | H | A | 0.0000 | |
| 261 | C | A | 0.0000 | |
| 262 | L | A | -1.3212 | |
| 263 | R | A | -2.0380 | |
| 264 | L | A | 0.0000 | |
| 265 | D | A | 0.0000 | |
| 266 | P | A | -1.1339 | |
| 267 | T | A | -1.0075 | |
| 268 | I | A | 0.0000 | |
| 269 | S | A | -1.4151 | |
| 270 | S | A | -1.7238 | |
| 271 | D | A | -2.2651 | |
| 272 | G | A | -1.5677 | |
| 273 | T | A | -1.6513 | |
| 274 | I | A | -1.5599 | |
| 275 | E | A | -2.2442 | |
| 276 | G | A | 0.0000 | |
| 277 | I | A | 0.0000 | |
| 278 | E | A | -1.2444 | |
| 279 | V | A | 0.0000 | |
| 280 | L | A | -0.0030 | |
| 281 | R | A | -0.1412 | |
| 282 | H | A | 0.0000 | |
| 283 | N | A | -0.1819 | |
| 284 | V | A | 0.0000 | |
| 285 | G | A | 0.0000 | |
| 286 | L | A | 0.0000 | |
| 287 | R | A | 0.0000 | |
| 288 | P | A | -0.1224 | |
| 289 | A | A | 0.0000 | |
| 290 | R | A | -1.7818 | |
| 291 | R | A | -2.5679 | |
| 292 | G | A | -1.5803 | |
| 293 | G | A | -1.1144 | |
| 294 | P | A | -0.8491 | |
| 295 | R | A | -0.7452 | |
| 296 | V | A | -0.4081 | |
| 297 | E | A | -0.6387 | |
| 298 | A | A | -0.6464 | |
| 299 | E | A | -0.6568 | |
| 300 | R | A | -0.6202 | |
| 301 | I | A | 0.0000 | |
| 302 | V | A | -0.3211 | |
| 303 | L | A | 0.0000 | |
| 304 | P | A | -1.5907 | |
| 305 | L | A | -0.7475 | |
| 306 | D | A | -1.3513 | |
| 307 | R | A | -1.5643 | |
| 308 | T | A | -1.1637 | |
| 309 | K | A | -1.1754 | |
| 310 | S | A | 0.0000 | |
| 311 | P | A | -0.9064 | |
| 312 | L | A | 0.0000 | |
| 313 | S | A | 0.0000 | |
| 314 | L | A | 0.0242 | |
| 315 | G | A | -1.0232 | |
| 316 | R | A | -2.0955 | |
| 317 | G | A | -1.7956 | |
| 318 | S | A | -1.7853 | |
| 319 | A | A | -1.5310 | |
| 320 | R | A | -2.2831 | |
| 321 | A | A | -1.4902 | |
| 322 | A | A | -1.7213 | |
| 323 | K | A | -2.7677 | |
| 324 | E | A | -3.2759 | |
| 325 | K | A | -2.7968 | |
| 326 | E | A | -2.1180 | |
| 327 | V | A | 0.0000 | |
| 328 | T | A | 0.0000 | |
| 329 | L | A | 0.0000 | |
| 330 | V | A | 0.0000 | |
| 331 | H | A | 0.0000 | |
| 332 | A | A | 0.0000 | |
| 333 | Y | A | 0.0000 | |
| 334 | G | A | 0.0000 | |
| 335 | F | A | 0.0000 | |
| 336 | S | A | -0.3179 | |
| 337 | S | A | 0.1028 | |
| 338 | A | A | 0.0000 | |
| 339 | G | A | -0.0844 | |
| 340 | Y | A | 0.0000 | |
| 341 | Q | A | 0.0000 | |
| 342 | Q | A | 0.0000 | |
| 343 | S | A | 0.0000 | |
| 344 | W | A | -0.5521 | |
| 345 | G | A | 0.0000 | |
| 346 | A | A | 0.0000 | |
| 347 | A | A | 0.0000 | |
| 348 | E | A | -1.3366 | |
| 349 | D | A | -1.5060 | |
| 350 | V | A | 0.0000 | |
| 351 | A | A | 0.0000 | |
| 352 | Q | A | -2.1615 | |
| 353 | L | A | -1.5865 | |
| 354 | V | A | 0.0000 | |
| 355 | D | A | -2.6546 | |
| 356 | E | A | -3.1151 | |
| 357 | A | A | 0.0000 | |
| 358 | F | A | -2.2618 | |
| 359 | Q | A | -2.7846 | |
| 360 | R | A | -2.7826 | |
| 361 | Y | A | -1.5121 | |
| 362 | H | A | -1.6599 | |
| 363 | G | A | -1.2911 | |
| 365 | A | A | 0.1243 | |
| 366 | L | B | 2.1717 | |
| 367 | M | B | 2.0464 | |
| 368 | M | B | 1.2654 | |
| 369 | H | B | -0.5654 | |
| 370 | S | B | -1.4047 | |
| 371 | Q | B | -2.1053 | |
| 372 | K | B | -2.5490 | |
| 373 | R | B | -2.5879 | |
| 374 | V | B | 0.0000 | |
| 375 | V | B | 0.0000 | |
| 376 | V | B | 0.0000 | |
| 377 | L | B | 0.0000 | |
| 378 | G | B | -0.4700 | |
| 379 | S | B | 0.0000 | |
| 380 | G | B | -0.0488 | |
| 381 | V | B | 0.0000 | |
| 382 | I | B | 0.0000 | |
| 383 | G | B | 0.0000 | |
| 384 | L | B | 0.0000 | |
| 385 | S | B | 0.0000 | |
| 386 | S | B | 0.0000 | |
| 387 | A | B | 0.0000 | |
| 388 | L | B | 0.0000 | |
| 389 | I | B | -1.1314 | |
| 390 | L | B | 0.0000 | |
| 391 | A | B | 0.0000 | |
| 392 | R | B | -2.3660 | |
| 393 | K | B | -2.1407 | |
| 394 | G | B | -1.7786 | |
| 395 | Y | B | 0.0000 | |
| 396 | S | B | -1.5789 | |
| 397 | V | B | 0.0000 | |
| 398 | H | B | -0.7913 | |
| 399 | I | B | 0.0000 | |
| 400 | L | B | 0.0000 | |
| 401 | A | B | 0.0000 | |
| 402 | R | B | -1.7162 | |
| 403 | D | B | 0.0000 | |
| 404 | L | B | 0.0000 | |
| 405 | P | B | 0.0000 | |
| 406 | E | B | -1.8971 | |
| 407 | D | B | -0.8236 | |
| 408 | V | B | 0.0848 | |
| 409 | S | B | -0.0378 | |
| 410 | S | B | -0.2153 | |
| 411 | Q | B | -0.0470 | |
| 412 | T | B | -0.1679 | |
| 413 | F | B | 0.1100 | |
| 414 | A | B | 0.0509 | |
| 415 | S | B | 0.0000 | |
| 416 | P | B | -0.1688 | |
| 417 | W | B | 0.2236 | |
| 418 | A | B | -0.0251 | |
| 419 | G | B | -0.0658 | |
| 420 | A | B | 0.0000 | |
| 421 | N | B | 0.0000 | |
| 422 | W | B | 0.0000 | |
| 423 | T | B | 0.0000 | |
| 424 | P | B | 0.0000 | |
| 425 | F | B | 0.8817 | |
| 426 | M | B | 0.4024 | |
| 427 | T | B | -0.2196 | |
| 428 | L | B | 0.0546 | |
| 429 | T | B | -0.6129 | |
| 430 | D | B | -1.4992 | |
| 431 | G | B | 0.0000 | |
| 432 | P | B | -1.0230 | |
| 433 | R | B | -1.5001 | |
| 434 | Q | B | 0.0000 | |
| 435 | A | B | 0.0000 | |
| 436 | K | B | -1.8489 | |
| 437 | W | B | 0.0000 | |
| 438 | E | B | 0.0000 | |
| 439 | E | B | -1.9159 | |
| 440 | S | B | -1.4883 | |
| 441 | T | B | 0.0000 | |
| 442 | F | B | 0.0000 | |
| 443 | K | B | -2.1908 | |
| 444 | K | B | -1.6019 | |
| 445 | W | B | 0.0000 | |
| 446 | V | B | -0.6996 | |
| 447 | E | B | -2.0044 | |
| 448 | L | B | 0.0000 | |
| 449 | V | B | -0.2539 | |
| 450 | P | B | -0.5418 | |
| 451 | T | B | -0.6315 | |
| 452 | G | B | -0.7809 | |
| 453 | H | B | -0.9188 | |
| 454 | A | B | 0.0000 | |
| 455 | M | B | -0.2386 | |
| 456 | W | B | -0.4105 | |
| 457 | L | B | 0.0000 | |
| 458 | K | B | -2.4211 | |
| 459 | G | B | -1.8700 | |
| 460 | T | B | 0.0000 | |
| 461 | R | B | -0.8916 | |
| 462 | R | B | 0.0000 | |
| 463 | F | B | 0.0000 | |
| 464 | A | B | 0.0000 | |
| 465 | Q | B | -2.4139 | |
| 466 | N | B | -2.8503 | |
| 467 | E | B | -3.3965 | |
| 468 | D | B | -3.3374 | |
| 469 | G | B | -2.0953 | |
| 470 | L | B | 0.0000 | |
| 471 | L | B | -0.9643 | |
| 472 | G | B | -1.2760 | |
| 473 | H | B | -1.7856 | |
| 474 | W | B | -0.6932 | |
| 475 | Y | B | 0.0000 | |
| 476 | K | B | -3.0415 | |
| 477 | D | B | -2.7380 | |
| 478 | I | B | -1.6706 | |
| 479 | T | B | 0.0000 | |
| 480 | P | B | -1.7937 | |
| 481 | N | B | -2.4316 | |
| 482 | Y | B | -2.2752 | |
| 483 | R | B | -2.4629 | |
| 484 | P | B | -1.2389 | |
| 485 | L | B | -0.9381 | |
| 486 | P | B | -0.9928 | |
| 487 | S | B | -0.9778 | |
| 488 | S | B | -1.2487 | |
| 489 | E | B | -2.0055 | |
| 490 | C | B | -0.9907 | |
| 491 | P | B | -1.0272 | |
| 492 | P | B | -0.8204 | |
| 493 | G | B | -0.9238 | |
| 494 | A | B | -1.2166 | |
| 495 | I | B | -0.8897 | |
| 496 | G | B | 0.0000 | |
| 497 | V | B | 0.0000 | |
| 498 | T | B | 0.0000 | |
| 499 | Y | B | 0.0000 | |
| 500 | D | B | 0.0000 | |
| 501 | T | B | 0.0000 | |
| 502 | L | B | 0.0000 | |
| 503 | S | B | 0.0000 | |
| 504 | V | B | 0.0000 | |
| 505 | H | B | -0.9832 | |
| 506 | A | B | 0.0000 | |
| 507 | P | B | -0.9513 | |
| 508 | K | B | -1.8991 | |
| 509 | Y | B | 0.0000 | |
| 510 | C | B | 0.0000 | |
| 511 | Q | B | -1.5249 | |
| 512 | Y | B | -1.2898 | |
| 513 | L | B | 0.0000 | |
| 514 | A | B | 0.0000 | |
| 515 | R | B | -2.8286 | |
| 516 | E | B | -2.4292 | |
| 517 | L | B | 0.0000 | |
| 518 | Q | B | -2.7160 | |
| 519 | K | B | -2.7133 | |
| 520 | L | B | -1.6440 | |
| 521 | G | B | -1.4318 | |
| 522 | A | B | 0.0000 | |
| 523 | T | B | -0.5459 | |
| 524 | F | B | -0.4713 | |
| 525 | E | B | -1.3934 | |
| 526 | R | B | -2.2298 | |
| 527 | R | B | -1.6544 | |
| 528 | T | B | -1.0338 | |
| 529 | V | B | 0.0000 | |
| 530 | T | B | -0.2078 | |
| 531 | S | B | 0.0000 | |
| 532 | L | B | 0.0000 | |
| 533 | E | B | -1.3021 | |
| 534 | Q | B | -1.3282 | |
| 535 | A | B | 0.0000 | |
| 536 | F | B | 0.0000 | |
| 537 | D | B | -2.5939 | |
| 538 | G | B | -1.9879 | |
| 539 | A | B | 0.0000 | |
| 540 | D | B | -2.8999 | |
| 541 | L | B | 0.0000 | |
| 542 | V | B | 0.0000 | |
| 543 | V | B | 0.0000 | |
| 544 | N | B | 0.0000 | |
| 545 | A | B | 0.0000 | |
| 546 | T | B | -0.1786 | |
| 547 | G | B | -0.1769 | |
| 548 | L | B | -0.2366 | |
| 549 | G | B | -0.1983 | |
| 550 | A | B | 0.0000 | |
| 551 | K | B | -0.9285 | |
| 552 | S | B | -0.5029 | |
| 553 | I | B | 0.0000 | |
| 554 | A | B | 0.0000 | |
| 555 | G | B | 0.0000 | |
| 556 | I | B | -0.3348 | |
| 557 | D | B | -0.8310 | |
| 558 | D | B | -1.1742 | |
| 559 | Q | B | -1.8060 | |
| 560 | A | B | -1.6567 | |
| 561 | A | B | 0.0000 | |
| 562 | E | B | -0.9409 | |
| 563 | P | B | 0.0000 | |
| 564 | I | B | 0.6267 | |
| 565 | R | B | 0.0000 | |
| 566 | G | B | 0.2417 | |
| 567 | Q | B | 0.0000 | |
| 568 | T | B | 0.0000 | |
| 569 | V | B | 0.0000 | |
| 570 | L | B | -0.1831 | |
| 571 | V | B | 0.0000 | |
| 572 | K | B | -1.5387 | |
| 573 | S | B | 0.0000 | |
| 574 | P | B | -1.2608 | |
| 575 | C | B | -1.4489 | |
| 576 | K | B | -2.5844 | |
| 577 | R | B | -2.2554 | |
| 578 | C | B | 0.0000 | |
| 579 | T | B | 0.0000 | |
| 580 | M | B | 0.0395 | |
| 581 | D | B | 0.0000 | |
| 582 | S | B | -0.7096 | |
| 583 | S | B | -1.1512 | |
| 584 | D | B | -1.1442 | |
| 585 | P | B | -0.7830 | |
| 586 | A | B | -0.3198 | |
| 587 | S | B | 0.0000 | |
| 588 | P | B | -0.2240 | |
| 589 | A | B | 0.0000 | |
| 590 | Y | B | 0.1167 | |
| 591 | I | B | 0.0000 | |
| 592 | I | B | 0.0000 | |
| 593 | P | B | 0.0000 | |
| 594 | R | B | -0.8005 | |
| 595 | P | B | -1.0199 | |
| 596 | G | B | -0.9796 | |
| 597 | G | B | -1.2859 | |
| 598 | E | B | -1.2564 | |
| 599 | V | B | 0.0000 | |
| 600 | I | B | 0.0000 | |
| 601 | C | B | 0.0000 | |
| 602 | G | B | 0.0000 | |
| 603 | G | B | 0.0000 | |
| 604 | T | B | 0.5175 | |
| 605 | Y | B | 0.9854 | |
| 606 | G | B | 0.7921 | |
| 607 | V | B | 1.5727 | |
| 608 | G | B | 0.2323 | |
| 609 | D | B | -0.4746 | |
| 610 | W | B | -0.4226 | |
| 611 | D | B | -0.7412 | |
| 612 | L | B | -0.2247 | |
| 613 | S | B | 0.0000 | |
| 614 | V | B | 0.0000 | |
| 615 | N | B | -1.4905 | |
| 616 | P | B | -1.6801 | |
| 617 | E | B | -2.3944 | |
| 618 | T | B | -1.6675 | |
| 619 | V | B | 0.0000 | |
| 620 | Q | B | -2.1301 | |
| 621 | R | B | -1.8530 | |
| 622 | I | B | 0.0000 | |
| 623 | L | B | 0.0000 | |
| 624 | K | B | -2.4096 | |
| 625 | H | B | 0.0000 | |
| 626 | C | B | 0.0000 | |
| 627 | L | B | -1.3762 | |
| 628 | R | B | -2.1790 | |
| 629 | L | B | -0.9533 | |
| 630 | D | B | 0.0000 | |
| 631 | P | B | -1.1548 | |
| 632 | T | B | -1.0610 | |
| 633 | I | B | 0.0000 | |
| 634 | S | B | -1.5027 | |
| 635 | S | B | -1.7967 | |
| 636 | D | B | -2.2651 | |
| 637 | G | B | -1.6013 | |
| 638 | T | B | -1.6874 | |
| 639 | I | B | -1.6234 | |
| 640 | E | B | -2.3458 | |
| 641 | G | B | 0.0000 | |
| 642 | I | B | 0.0000 | |
| 643 | E | B | -1.6123 | |
| 644 | V | B | 0.0000 | |
| 645 | L | B | -0.0671 | |
| 646 | R | B | -0.1673 | |
| 647 | H | B | 0.0000 | |
| 648 | N | B | -0.1860 | |
| 649 | V | B | 0.0000 | |
| 650 | G | B | 0.0000 | |
| 651 | L | B | 0.0000 | |
| 652 | R | B | 0.0287 | |
| 653 | P | B | -0.2194 | |
| 654 | A | B | 0.0000 | |
| 655 | R | B | -1.8177 | |
| 656 | R | B | -2.5809 | |
| 657 | G | B | -1.5786 | |
| 658 | G | B | -1.1132 | |
| 659 | P | B | -0.8569 | |
| 660 | R | B | -0.7437 | |
| 661 | V | B | -0.3691 | |
| 662 | E | B | -0.6039 | |
| 663 | A | B | -0.6493 | |
| 664 | E | B | -0.6787 | |
| 665 | R | B | -0.8089 | |
| 666 | I | B | 0.0000 | |
| 667 | V | B | -0.8208 | |
| 668 | L | B | 0.0000 | |
| 669 | P | B | -1.7654 | |
| 670 | L | B | -0.8481 | |
| 671 | D | B | -1.4413 | |
| 672 | R | B | -1.6091 | |
| 673 | T | B | -1.2259 | |
| 674 | K | B | -1.2892 | |
| 675 | S | B | 0.0000 | |
| 676 | P | B | -0.8964 | |
| 677 | L | B | 0.0000 | |
| 678 | S | B | 0.0000 | |
| 679 | L | B | 0.1134 | |
| 680 | G | B | -0.8355 | |
| 681 | R | B | -1.8799 | |
| 682 | G | B | -1.7162 | |
| 683 | S | B | -1.7596 | |
| 684 | A | B | -1.5207 | |
| 685 | R | B | -2.2916 | |
| 686 | A | B | -1.4967 | |
| 687 | A | B | -1.7447 | |
| 688 | K | B | -2.8229 | |
| 689 | E | B | -3.5336 | |
| 690 | K | B | -3.2952 | |
| 691 | E | B | -2.6999 | |
| 692 | V | B | 0.0000 | |
| 693 | T | B | 0.0000 | |
| 694 | L | B | 0.0000 | |
| 695 | V | B | 0.0000 | |
| 696 | H | B | 0.0000 | |
| 697 | A | B | 0.0000 | |
| 698 | Y | B | 0.0000 | |
| 699 | G | B | 0.0000 | |
| 700 | F | B | 0.0000 | |
| 701 | S | B | -0.3918 | |
| 702 | S | B | 0.0712 | |
| 703 | A | B | 0.0000 | |
| 704 | G | B | -0.1202 | |
| 705 | Y | B | 0.0000 | |
| 706 | Q | B | 0.0000 | |
| 707 | Q | B | 0.0000 | |
| 708 | S | B | 0.0000 | |
| 709 | W | B | -0.5147 | |
| 710 | G | B | 0.0000 | |
| 711 | A | B | 0.0000 | |
| 712 | A | B | 0.0000 | |
| 713 | E | B | -1.3267 | |
| 714 | D | B | -1.3120 | |
| 715 | V | B | 0.0000 | |
| 716 | A | B | 0.0000 | |
| 717 | Q | B | -2.0534 | |
| 718 | L | B | -1.4823 | |
| 719 | V | B | 0.0000 | |
| 720 | D | B | -2.4893 | |
| 721 | E | B | -3.0160 | |
| 722 | A | B | 0.0000 | |
| 723 | F | B | -2.2325 | |
| 724 | Q | B | -2.7409 | |
| 725 | R | B | -2.7553 | |
| 726 | Y | B | -1.5494 | |
| 727 | H | B | -1.6622 | |
| 728 | G | B | -1.3063 |
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 | -0.639 | 2.4717 | View | CSV | PDB |
| 4.5 | -0.6892 | 2.4773 | View | CSV | PDB |
| 5.0 | -0.7497 | 2.4913 | View | CSV | PDB |
| 5.5 | -0.8085 | 2.5177 | View | CSV | PDB |
| 6.0 | -0.8534 | 2.5505 | View | CSV | PDB |
| 6.5 | -0.8767 | 2.5762 | View | CSV | PDB |
| 7.0 | -0.879 | 2.5895 | View | CSV | PDB |
| 7.5 | -0.8666 | 2.5948 | View | CSV | PDB |
| 8.0 | -0.8457 | 2.5966 | View | CSV | PDB |
| 8.5 | -0.8186 | 2.5971 | View | CSV | PDB |
| 9.0 | -0.7857 | 2.5973 | 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