| Chain sequence(s) |
A: MFLNGFKTVIALTMASSFYLAASPLTKPSTPIAATNIQKSADFPIWWKQAVFYQIYPRSFKDSNGDGIGDIPGIIEKLDYLKMLGVDAIWINPHYESPNTDNGYDISDYRKIMKEYGSMADFDRLVAEMNKRGMRLMIDIVINHTSDRHRWFVQSRSGKDNPYRDYYFWRDGKQGQAPNNYPSFFGGSAWQLDKQTDQYYLHYFAPQQPDLNWDNPKVRAELYDILRFWLDKGVSGLRFDTVATFSKIPGFPDLSKAQLKNFAEAYTEGPNIHKYIHEMNRQVLSKYNVATAGEIFGVPVSAMPDYFDRRREELNIAFTFDLIRLDRYPDQRWRRKPWTLSQFRQVISQTDRAAGEFGWNAFFLDNHDNPRQVSHFGDDSPQWRERSAKALATLLLTQRATPFIFQGAELGMTNYPFKNIEEFDDIEVKGFWNDYVASGKVNAAEFLQEVRMTSRDNSRTPMQWNDSVNAGFTQGKPWFHLNPNYKQINAAREVNKPDSVFSYYRQLINLRHQIPALTSGEYRDLDPQNNQVYAYTRILDNEKYLVVVNFKPEQLHYALPDNLTIASSLLENVHQPSLQENASTLTLAPWQAGIYKLN
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 5 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage |
A: MFLNGFKTVIALTMASSFYLAASPLTKPSTPIAATNI QKSADFPIWWKQAVFYQIYPRSFKDSNGDGIGDIPGIIEKLDYLKMLGVDAIWINPHYESPNTDNGYDISDYRKIMKEYGSMADFDRLVAEMNKRGMRLMIDIVINHTSDRHRWFVQSRSGKDNPYRDYYFWRDGKQGQAPNNYPSFFGGSAWQLDKQTDQYYLHYFAPQQPDLNWDNPKVRAELYDILRFWLDKGVSGLRFDTVATFSKIPGFPDLSKAQLKNFAEAYTEGPNIHKYIHEMNRQVLSKYNVATAGEIFGVPVSAMPDYFDRRREELNIAFTFDLIRLDRYPDQRWRRKPWTLSQFRQVISQTDRAAGEFGWNAFFLDNHDNPRQVSHFGDDSPQWRERSAKALATLLLTQRATPFIFQGAELGMTNYPFKNIEEFDDIEVKGFWNDYVASGKVNAAEFLQEVRMTSRDNSRTPMQWNDSVNAGFTQGKPWFHLNPNYKQINAAREVNKPDSVFSYYRQLINLRHQIPALTSGEYRDLDPQNNQVYAYTRILDNEKYLVVVNFKPEQLHYALPDNLTIASSLLENVHQPSLQENASTLTLAPWQAGIYKLN(Red indicates removed residues) |
| 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: Running AlphaCutter (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:18)
[INFO] FoldX: Starting FoldX energy minimization (00:00:18)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:09:16)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e4d545362d16ca7/tmp/folded.pdb (00:09:16)
[INFO] Main: Simulation completed successfully. (00:17:10)
|
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 |
|---|---|---|---|---|
| 38 | Q | A | -1.5093 | |
| 39 | K | A | -1.9344 | |
| 40 | S | A | -0.3784 | |
| 41 | A | A | -0.2735 | |
| 42 | D | A | -1.4267 | |
| 43 | F | A | 1.5444 | |
| 44 | P | A | 0.2922 | |
| 45 | I | A | 0.0000 | |
| 46 | W | A | 0.2661 | |
| 47 | W | A | 0.0000 | |
| 48 | K | A | -0.2862 | |
| 49 | Q | A | -0.3733 | |
| 50 | A | A | 0.0000 | |
| 51 | V | A | 0.0000 | |
| 52 | F | A | 0.0000 | |
| 53 | Y | A | 0.0000 | |
| 54 | Q | A | 0.0000 | |
| 55 | I | A | 0.0000 | |
| 56 | Y | A | 0.0000 | |
| 57 | P | A | 0.0000 | |
| 58 | R | A | -0.1778 | |
| 59 | S | A | 0.0000 | |
| 60 | F | A | 0.0000 | |
| 61 | K | A | -0.2018 | |
| 62 | D | A | 0.0000 | |
| 63 | S | A | -0.3341 | |
| 64 | N | A | -1.3093 | |
| 65 | G | A | -0.6624 | |
| 66 | D | A | -1.8068 | |
| 67 | G | A | 0.0000 | |
| 68 | I | A | 0.2210 | |
| 69 | G | A | 0.0000 | |
| 70 | D | A | 0.0000 | |
| 71 | I | A | 0.0000 | |
| 72 | P | A | -0.0615 | |
| 73 | G | A | 0.0000 | |
| 74 | I | A | 0.0000 | |
| 75 | I | A | 0.0000 | |
| 76 | E | A | -1.8610 | |
| 77 | K | A | -0.5552 | |
| 78 | L | A | 0.0000 | |
| 79 | D | A | -1.9135 | |
| 80 | Y | A | 0.0000 | |
| 81 | L | A | 0.0000 | |
| 82 | K | A | -1.2628 | |
| 83 | M | A | 0.2596 | |
| 84 | L | A | 0.0000 | |
| 85 | G | A | -0.1937 | |
| 86 | V | A | 0.0000 | |
| 87 | D | A | -0.5233 | |
| 88 | A | A | 0.0000 | |
| 89 | I | A | 0.0000 | |
| 90 | W | A | 0.0000 | |
| 91 | I | A | 0.0000 | |
| 92 | N | A | 0.0000 | |
| 93 | P | A | 0.0000 | |
| 94 | H | A | 0.0000 | |
| 95 | Y | A | 0.0000 | |
| 96 | E | A | -0.6946 | |
| 97 | S | A | -0.1682 | |
| 98 | P | A | -0.1554 | |
| 99 | N | A | -0.2202 | |
| 100 | T | A | -0.0474 | |
| 101 | D | A | 0.0000 | |
| 102 | N | A | -0.1594 | |
| 103 | G | A | 0.0000 | |
| 104 | Y | A | 0.0000 | |
| 105 | D | A | 0.0000 | |
| 106 | I | A | 0.0000 | |
| 107 | S | A | -0.1075 | |
| 108 | D | A | -0.4525 | |
| 109 | Y | A | 0.0000 | |
| 110 | R | A | -2.1057 | |
| 111 | K | A | -1.7859 | |
| 112 | I | A | 0.0000 | |
| 113 | M | A | 0.0000 | |
| 114 | K | A | -1.7566 | |
| 115 | E | A | -0.6208 | |
| 116 | Y | A | 0.0000 | |
| 117 | G | A | -0.2674 | |
| 118 | S | A | -0.1143 | |
| 119 | M | A | 0.2287 | |
| 120 | A | A | -0.0616 | |
| 121 | D | A | -0.5155 | |
| 122 | F | A | 0.0000 | |
| 123 | D | A | -1.3248 | |
| 124 | R | A | -1.9645 | |
| 125 | L | A | 0.0000 | |
| 126 | V | A | 0.0000 | |
| 127 | A | A | -0.1843 | |
| 128 | E | A | -0.2167 | |
| 129 | M | A | 0.0000 | |
| 130 | N | A | -1.6220 | |
| 131 | K | A | -1.9901 | |
| 132 | R | A | -0.7557 | |
| 133 | G | A | -0.6676 | |
| 134 | M | A | 0.0000 | |
| 135 | R | A | -0.7034 | |
| 136 | L | A | 0.0000 | |
| 137 | M | A | 0.0000 | |
| 138 | I | A | 0.0000 | |
| 139 | D | A | 0.0000 | |
| 140 | I | A | 0.0000 | |
| 141 | V | A | 0.0000 | |
| 142 | I | A | 0.0000 | |
| 143 | N | A | 0.0000 | |
| 144 | H | A | 0.0000 | |
| 145 | T | A | 0.0000 | |
| 146 | S | A | 0.0000 | |
| 147 | D | A | -0.5701 | |
| 148 | R | A | -1.8547 | |
| 149 | H | A | 0.0000 | |
| 150 | R | A | -1.8441 | |
| 151 | W | A | 0.0000 | |
| 152 | F | A | 0.0000 | |
| 153 | V | A | 1.4495 | |
| 154 | Q | A | -0.3562 | |
| 155 | S | A | 0.0000 | |
| 156 | R | A | -0.7723 | |
| 157 | S | A | -0.2847 | |
| 158 | G | A | -0.4348 | |
| 159 | K | A | -2.0370 | |
| 160 | D | A | -2.1272 | |
| 161 | N | A | -0.5638 | |
| 162 | P | A | -0.2588 | |
| 163 | Y | A | 0.1298 | |
| 164 | R | A | 0.0000 | |
| 165 | D | A | -1.7894 | |
| 166 | Y | A | 0.0000 | |
| 167 | Y | A | 0.0000 | |
| 168 | F | A | 0.0000 | |
| 169 | W | A | 0.0000 | |
| 170 | R | A | -1.3287 | |
| 171 | D | A | -2.0363 | |
| 172 | G | A | -0.8799 | |
| 173 | K | A | -1.9599 | |
| 174 | Q | A | -1.5859 | |
| 175 | G | A | -0.8936 | |
| 176 | Q | A | -1.2804 | |
| 177 | A | A | -0.2380 | |
| 178 | P | A | 0.0000 | |
| 179 | N | A | 0.0000 | |
| 180 | N | A | -0.5142 | |
| 181 | Y | A | 0.0000 | |
| 182 | P | A | -0.0565 | |
| 183 | S | A | 0.0000 | |
| 184 | F | A | 0.0000 | |
| 185 | F | A | 0.0000 | |
| 186 | G | A | -0.1762 | |
| 187 | G | A | -0.4311 | |
| 188 | S | A | -0.1837 | |
| 189 | A | A | 0.0000 | |
| 190 | W | A | 0.0000 | |
| 191 | Q | A | -0.5499 | |
| 192 | L | A | 0.2398 | |
| 193 | D | A | 0.0000 | |
| 194 | K | A | -1.9145 | |
| 195 | Q | A | -1.5026 | |
| 196 | T | A | 0.0000 | |
| 197 | D | A | -1.8190 | |
| 198 | Q | A | -0.6645 | |
| 199 | Y | A | 0.1758 | |
| 200 | Y | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | H | A | 0.0000 | |
| 203 | Y | A | 0.0000 | |
| 204 | F | A | 0.0000 | |
| 205 | A | A | 0.0000 | |
| 206 | P | A | -0.1342 | |
| 207 | Q | A | -0.2896 | |
| 208 | Q | A | 0.0000 | |
| 209 | P | A | 0.0000 | |
| 210 | D | A | 0.0000 | |
| 211 | L | A | 0.0000 | |
| 212 | N | A | -0.1348 | |
| 213 | W | A | 0.0000 | |
| 214 | D | A | -1.6384 | |
| 215 | N | A | -0.4795 | |
| 216 | P | A | -0.5816 | |
| 217 | K | A | -1.7451 | |
| 218 | V | A | 0.0000 | |
| 219 | R | A | 0.0000 | |
| 220 | A | A | -0.0498 | |
| 221 | E | A | -0.4955 | |
| 222 | L | A | 0.0000 | |
| 223 | Y | A | 0.0000 | |
| 224 | D | A | -1.8358 | |
| 225 | I | A | 0.0000 | |
| 226 | L | A | 0.0000 | |
| 227 | R | A | -0.5828 | |
| 228 | F | A | 0.2440 | |
| 229 | W | A | 0.0000 | |
| 230 | L | A | 0.0000 | |
| 231 | D | A | -1.8600 | |
| 232 | K | A | -0.7873 | |
| 233 | G | A | -0.4703 | |
| 234 | V | A | 0.0000 | |
| 235 | S | A | -0.0000 | |
| 236 | G | A | 0.0000 | |
| 237 | L | A | 0.0000 | |
| 238 | R | A | 0.0000 | |
| 239 | F | A | 0.0000 | |
| 240 | D | A | 0.0000 | |
| 241 | T | A | 0.0000 | |
| 242 | V | A | 0.0000 | |
| 243 | A | A | 0.0000 | |
| 244 | T | A | 0.0000 | |
| 245 | F | A | 0.0000 | |
| 246 | S | A | 0.0000 | |
| 247 | K | A | 0.0000 | |
| 248 | I | A | 0.2584 | |
| 249 | P | A | -0.2856 | |
| 250 | G | A | -0.5125 | |
| 251 | F | A | 0.0000 | |
| 252 | P | A | -0.5637 | |
| 253 | D | A | -1.8328 | |
| 254 | L | A | 0.0000 | |
| 255 | S | A | -0.4477 | |
| 256 | K | A | -1.7152 | |
| 257 | A | A | -0.3422 | |
| 258 | Q | A | -0.4413 | |
| 259 | L | A | 0.0701 | |
| 260 | K | A | -1.6162 | |
| 261 | N | A | -0.7567 | |
| 262 | F | A | 0.0000 | |
| 263 | A | A | -0.1394 | |
| 264 | E | A | -0.7545 | |
| 265 | A | A | 0.0000 | |
| 266 | Y | A | 0.0000 | |
| 267 | T | A | 0.0000 | |
| 268 | E | A | -1.8199 | |
| 269 | G | A | 0.0000 | |
| 270 | P | A | -0.3081 | |
| 271 | N | A | -0.3430 | |
| 272 | I | A | 0.0000 | |
| 273 | H | A | -0.5296 | |
| 274 | K | A | -1.7403 | |
| 275 | Y | A | 0.0000 | |
| 276 | I | A | 0.0000 | |
| 277 | H | A | -0.3207 | |
| 278 | E | A | -0.5000 | |
| 279 | M | A | 0.0000 | |
| 280 | N | A | -0.4779 | |
| 281 | R | A | -2.0804 | |
| 282 | Q | A | -1.5232 | |
| 283 | V | A | 0.0000 | |
| 284 | L | A | 0.0000 | |
| 285 | S | A | -0.4834 | |
| 286 | K | A | -1.6718 | |
| 287 | Y | A | -0.1974 | |
| 288 | N | A | -1.1743 | |
| 289 | V | A | -0.0240 | |
| 290 | A | A | 0.0000 | |
| 291 | T | A | 0.0000 | |
| 292 | A | A | 0.0000 | |
| 293 | G | A | 0.0000 | |
| 294 | E | A | 0.0000 | |
| 295 | I | A | 0.0000 | |
| 296 | F | A | 0.2176 | |
| 297 | G | A | -0.1156 | |
| 298 | V | A | 0.1581 | |
| 299 | P | A | -0.0617 | |
| 300 | V | A | 0.2810 | |
| 301 | S | A | -0.1483 | |
| 302 | A | A | -0.0211 | |
| 303 | M | A | 0.0000 | |
| 304 | P | A | -0.2217 | |
| 305 | D | A | -0.7690 | |
| 306 | Y | A | 0.0000 | |
| 307 | F | A | 0.0000 | |
| 308 | D | A | 0.0000 | |
| 309 | R | A | -1.3482 | |
| 310 | R | A | -2.1377 | |
| 311 | R | A | -1.2925 | |
| 312 | E | A | -1.9344 | |
| 313 | E | A | 0.0000 | |
| 314 | L | A | 0.0000 | |
| 315 | N | A | -0.2492 | |
| 316 | I | A | 0.0000 | |
| 317 | A | A | 0.0000 | |
| 318 | F | A | 0.0000 | |
| 319 | T | A | 0.0301 | |
| 320 | F | A | 0.1154 | |
| 321 | D | A | -0.4750 | |
| 322 | L | A | 0.0000 | |
| 323 | I | A | 0.0000 | |
| 324 | R | A | -0.3255 | |
| 325 | L | A | 0.1060 | |
| 326 | D | A | 0.0000 | |
| 327 | R | A | -0.1750 | |
| 328 | Y | A | 0.4326 | |
| 329 | P | A | -0.2497 | |
| 330 | D | A | -0.8660 | |
| 331 | Q | A | -0.4451 | |
| 332 | R | A | -0.2710 | |
| 333 | W | A | 0.0000 | |
| 334 | R | A | -0.4073 | |
| 335 | R | A | -0.7434 | |
| 336 | K | A | -0.6590 | |
| 337 | P | A | -0.3028 | |
| 338 | W | A | 0.1894 | |
| 339 | T | A | 0.0057 | |
| 340 | L | A | 0.0000 | |
| 341 | S | A | -0.2985 | |
| 342 | Q | A | -0.8537 | |
| 343 | F | A | 0.0000 | |
| 344 | R | A | 0.0000 | |
| 345 | Q | A | -0.5496 | |
| 346 | V | A | 0.0426 | |
| 347 | I | A | 0.0000 | |
| 348 | S | A | -0.2126 | |
| 349 | Q | A | -0.7017 | |
| 350 | T | A | -0.1675 | |
| 351 | D | A | -0.5182 | |
| 352 | R | A | -1.8957 | |
| 353 | A | A | -0.3231 | |
| 354 | A | A | -0.0281 | |
| 355 | G | A | -0.7097 | |
| 356 | E | A | -1.7612 | |
| 357 | F | A | 0.1938 | |
| 358 | G | A | 0.0000 | |
| 359 | W | A | 0.0000 | |
| 360 | N | A | 0.0000 | |
| 361 | A | A | 0.0000 | |
| 362 | F | A | 0.0000 | |
| 363 | F | A | 0.0000 | |
| 364 | L | A | 0.0000 | |
| 365 | D | A | 0.0000 | |
| 366 | N | A | 0.0000 | |
| 367 | H | A | 0.0000 | |
| 368 | D | A | -0.1934 | |
| 369 | N | A | 0.0000 | |
| 370 | P | A | 0.0000 | |
| 371 | R | A | 0.0000 | |
| 372 | Q | A | 0.0000 | |
| 373 | V | A | 0.0000 | |
| 374 | S | A | -0.0423 | |
| 375 | H | A | -0.1004 | |
| 376 | F | A | 0.0000 | |
| 377 | G | A | -0.1862 | |
| 378 | D | A | -0.6171 | |
| 379 | D | A | -0.9652 | |
| 380 | S | A | -0.2798 | |
| 381 | P | A | -0.4830 | |
| 382 | Q | A | -1.2119 | |
| 383 | W | A | -0.0392 | |
| 384 | R | A | 0.0000 | |
| 385 | E | A | -0.6162 | |
| 386 | R | A | -0.6687 | |
| 387 | S | A | 0.0000 | |
| 388 | A | A | 0.0000 | |
| 389 | K | A | 0.0000 | |
| 390 | A | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | A | A | 0.0000 | |
| 393 | T | A | 0.0000 | |
| 394 | L | A | 0.0000 | |
| 395 | L | A | 0.0000 | |
| 396 | L | A | 0.0000 | |
| 397 | T | A | 0.0000 | |
| 398 | Q | A | 0.0000 | |
| 399 | R | A | -0.3554 | |
| 400 | A | A | 0.0000 | |
| 401 | T | A | 0.0000 | |
| 402 | P | A | 0.0000 | |
| 403 | F | A | 0.0000 | |
| 404 | I | A | 0.0000 | |
| 405 | F | A | 0.0000 | |
| 406 | Q | A | 0.0000 | |
| 407 | G | A | 0.0000 | |
| 408 | A | A | 0.0000 | |
| 409 | E | A | 0.0000 | |
| 410 | L | A | 0.0000 | |
| 411 | G | A | 0.0000 | |
| 412 | M | A | 0.0000 | |
| 413 | T | A | 0.0000 | |
| 414 | N | A | -0.0997 | |
| 415 | Y | A | 0.1081 | |
| 416 | P | A | -0.1286 | |
| 417 | F | A | 0.0000 | |
| 418 | K | A | -1.9315 | |
| 419 | N | A | -1.5247 | |
| 420 | I | A | -0.2315 | |
| 421 | E | A | -1.8135 | |
| 422 | E | A | -0.6110 | |
| 423 | F | A | 0.0000 | |
| 424 | D | A | -1.1981 | |
| 425 | D | A | 0.0000 | |
| 426 | I | A | 0.1304 | |
| 427 | E | A | -0.1653 | |
| 428 | V | A | 0.0000 | |
| 429 | K | A | -1.2325 | |
| 430 | G | A | 0.0000 | |
| 431 | F | A | 0.0000 | |
| 432 | W | A | 0.0380 | |
| 433 | N | A | -1.3047 | |
| 434 | D | A | -0.6565 | |
| 435 | Y | A | 0.1341 | |
| 436 | V | A | 0.2715 | |
| 437 | A | A | -0.0785 | |
| 438 | S | A | -0.2662 | |
| 439 | G | A | -0.8012 | |
| 440 | K | A | -1.7495 | |
| 441 | V | A | -0.3495 | |
| 442 | N | A | -1.2360 | |
| 443 | A | A | -0.1988 | |
| 444 | A | A | -0.1200 | |
| 445 | E | A | -1.0049 | |
| 446 | F | A | 0.0000 | |
| 447 | L | A | -0.0467 | |
| 448 | Q | A | -1.2072 | |
| 449 | E | A | -0.4313 | |
| 450 | V | A | 0.0000 | |
| 451 | R | A | -0.4175 | |
| 452 | M | A | 0.2104 | |
| 453 | T | A | 0.0000 | |
| 454 | S | A | 0.0000 | |
| 455 | R | A | 0.0000 | |
| 456 | D | A | 0.0000 | |
| 457 | N | A | 0.0000 | |
| 458 | S | A | 0.0000 | |
| 459 | R | A | 0.0000 | |
| 460 | T | A | 0.0000 | |
| 461 | P | A | 0.0000 | |
| 462 | M | A | 0.0000 | |
| 463 | Q | A | 0.0000 | |
| 464 | W | A | 0.0000 | |
| 465 | N | A | -0.5024 | |
| 466 | D | A | -0.7890 | |
| 467 | S | A | 0.0916 | |
| 468 | V | A | 1.7003 | |
| 469 | N | A | 0.0566 | |
| 470 | A | A | 0.0000 | |
| 471 | G | A | -0.0899 | |
| 472 | F | A | 0.0000 | |
| 473 | T | A | 0.0000 | |
| 474 | Q | A | -1.2306 | |
| 475 | G | A | -0.7147 | |
| 476 | K | A | -1.7379 | |
| 477 | P | A | -0.3000 | |
| 478 | W | A | 0.1694 | |
| 479 | F | A | 0.0000 | |
| 480 | H | A | -0.3012 | |
| 481 | L | A | 0.1530 | |
| 482 | N | A | 0.0000 | |
| 483 | P | A | -0.3024 | |
| 484 | N | A | -0.2825 | |
| 485 | Y | A | -0.1880 | |
| 486 | K | A | -1.9271 | |
| 487 | Q | A | -1.4137 | |
| 488 | I | A | 0.0000 | |
| 489 | N | A | 0.0000 | |
| 490 | A | A | 0.0000 | |
| 491 | A | A | -0.3202 | |
| 492 | R | A | -1.7449 | |
| 493 | E | A | 0.0000 | |
| 494 | V | A | 0.0699 | |
| 495 | N | A | -1.4365 | |
| 496 | K | A | -1.4947 | |
| 497 | P | A | -0.7899 | |
| 498 | D | A | -1.8350 | |
| 499 | S | A | 0.0000 | |
| 500 | V | A | 0.0000 | |
| 501 | F | A | 0.0000 | |
| 502 | S | A | 0.0000 | |
| 503 | Y | A | 0.0000 | |
| 504 | Y | A | 0.0000 | |
| 505 | R | A | -0.7174 | |
| 506 | Q | A | -0.8853 | |
| 507 | L | A | 0.0000 | |
| 508 | I | A | 0.0000 | |
| 509 | N | A | -1.1029 | |
| 510 | L | A | -0.0215 | |
| 511 | R | A | 0.0000 | |
| 512 | H | A | -0.8409 | |
| 513 | Q | A | -1.3106 | |
| 514 | I | A | 0.0000 | |
| 515 | P | A | -0.1229 | |
| 516 | A | A | 0.0000 | |
| 517 | L | A | 0.0000 | |
| 518 | T | A | 0.0000 | |
| 519 | S | A | -0.0305 | |
| 520 | G | A | 0.0000 | |
| 521 | E | A | -1.7946 | |
| 522 | Y | A | -0.3263 | |
| 523 | R | A | -0.7785 | |
| 524 | D | A | -0.3783 | |
| 525 | L | A | 0.0084 | |
| 526 | D | A | -0.8319 | |
| 527 | P | A | -0.4508 | |
| 528 | Q | A | -1.2568 | |
| 529 | N | A | -0.5273 | |
| 530 | N | A | -0.6420 | |
| 531 | Q | A | -0.8145 | |
| 532 | V | A | 0.0000 | |
| 533 | Y | A | 0.0000 | |
| 534 | A | A | 0.0000 | |
| 535 | Y | A | 0.0000 | |
| 536 | T | A | 0.0000 | |
| 537 | R | A | 0.0000 | |
| 538 | I | A | 0.3595 | |
| 539 | L | A | 0.1013 | |
| 540 | D | A | -1.9495 | |
| 541 | N | A | -1.7665 | |
| 542 | E | A | -1.2781 | |
| 543 | K | A | -0.5116 | |
| 544 | Y | A | 0.0000 | |
| 545 | L | A | 0.0000 | |
| 546 | V | A | 0.0000 | |
| 547 | V | A | 0.0000 | |
| 548 | V | A | 0.0000 | |
| 549 | N | A | 0.0000 | |
| 550 | F | A | 0.0000 | |
| 551 | K | A | -0.5588 | |
| 552 | P | A | -0.5843 | |
| 553 | E | A | -2.0689 | |
| 554 | Q | A | -1.4909 | |
| 555 | L | A | -0.1972 | |
| 556 | H | A | -0.9575 | |
| 557 | Y | A | 0.0000 | |
| 558 | A | A | 0.0504 | |
| 559 | L | A | 0.0000 | |
| 560 | P | A | -0.3933 | |
| 561 | D | A | -2.0282 | |
| 562 | N | A | -1.5582 | |
| 563 | L | A | -0.0528 | |
| 564 | T | A | -0.1282 | |
| 565 | I | A | 0.0000 | |
| 566 | A | A | -0.0088 | |
| 567 | S | A | -0.1689 | |
| 568 | S | A | -0.0329 | |
| 569 | L | A | 0.6113 | |
| 570 | L | A | 0.2520 | |
| 571 | E | A | -0.3278 | |
| 572 | N | A | 0.0000 | |
| 573 | V | A | 0.0351 | |
| 574 | H | A | -1.0289 | |
| 575 | Q | A | -0.6583 | |
| 576 | P | A | -0.3715 | |
| 577 | S | A | -0.1826 | |
| 578 | L | A | 0.1595 | |
| 579 | Q | A | -1.4541 | |
| 580 | E | A | -2.2678 | |
| 581 | N | A | -1.6004 | |
| 582 | A | A | -0.2377 | |
| 583 | S | A | -0.1020 | |
| 584 | T | A | -0.0660 | |
| 585 | L | A | 0.0000 | |
| 586 | T | A | -0.1524 | |
| 587 | L | A | 0.0000 | |
| 588 | A | A | 0.0000 | |
| 589 | P | A | -0.2691 | |
| 590 | W | A | 0.0000 | |
| 591 | Q | A | 0.0000 | |
| 592 | A | A | 0.0000 | |
| 593 | G | A | 0.0000 | |
| 594 | I | A | 0.0000 | |
| 595 | Y | A | 0.0000 | |
| 596 | K | A | -0.6760 | |
| 597 | L | A | 0.0000 | |
| 598 | N | A | -1.2730 |
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 | -0.2788 | 4.7038 | View | CSV | PDB |
| 4.5 | -0.3009 | 4.6394 | View | CSV | PDB |
| 5.0 | -0.3261 | 4.5656 | View | CSV | PDB |
| 5.5 | -0.3502 | 4.4881 | View | CSV | PDB |
| 6.0 | -0.369 | 4.4095 | View | CSV | PDB |
| 6.5 | -0.3795 | 4.3305 | View | CSV | PDB |
| 7.0 | -0.3824 | 4.2518 | View | CSV | PDB |
| 7.5 | -0.3805 | 4.1741 | View | CSV | PDB |
| 8.0 | -0.3755 | 4.0996 | View | CSV | PDB |
| 8.5 | -0.3673 | 4.0336 | View | CSV | PDB |
| 9.0 | -0.3551 | 3.9848 | 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