| Chain sequence(s) |
A: MSDKIIHLTDDSFDTDVLKADGAILVDFWAEWCGPCKMIAPILDEIADEYQGKLTVAKLNIDQNPGTAPKYGIRGIPTLLLFKNGEVAATKVGALSKGQLKEFLDANLAGSGSGMHHHHHHSSGPDLGTWELQMSLDIQCEQLSDARWMELLPLIQQYQVVRLDDCGLTEVRCKDISSALRANPSLTELSLRTNELGDAGVHLVLQGLQSPTCKIQKLSLQNCCLTEAGCGVLPGVLHSIPTLRELHLNDNPLGDAGLRLLCEGLLDPQCRLEKLQLEYCNLTAASCEPLAAVLRAKSHFKELAVSNNDIQEAGVQALCCGLKDSACPLETLKLENCGVTAANCRDLSGVVASKASLQELDLGSNKLGDAGIADLCPALLQASCRLRVLWLWECDITAEGCRDLCRVLRAKQSLKELSLASNPLGDGGARLLCESLLEPSCQLESLWVKTCSLTEACCPHFRSVLTQNKSLLELQMSDNKLGDAGVRELCQGLGQPGSVLRVLWLGDCGVSDSGCSSLASMLLASRSLRELDLSNNCMGDPGIRQLLESVRQPSCGLEQLVLYDIYWTEEMDDQLRALEEDKPSLRIIS
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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:16:36)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/3f7675df69e2985/tmp/folded.pdb (00:16:36)
[INFO] Main: Simulation completed successfully. (00:24:02)
|
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 | M | A | -0.1602 | |
| 2 | S | A | -1.6691 | |
| 3 | D | A | -2.4357 | |
| 4 | K | A | -2.1952 | |
| 5 | I | A | 0.0000 | |
| 6 | I | A | -0.2673 | |
| 7 | H | A | -0.5881 | |
| 8 | L | A | 0.0000 | |
| 9 | T | A | -1.6027 | |
| 10 | D | A | -2.1691 | |
| 11 | D | A | -2.6186 | |
| 12 | S | A | -1.7846 | |
| 13 | F | A | 0.0000 | |
| 14 | D | A | -2.3850 | |
| 15 | T | A | -1.8135 | |
| 16 | D | A | -1.7896 | |
| 17 | V | A | 0.0000 | |
| 18 | L | A | -2.1452 | |
| 19 | K | A | -3.0354 | |
| 20 | A | A | -2.6352 | |
| 21 | D | A | -2.8666 | |
| 22 | G | A | -2.4463 | |
| 23 | A | A | -1.6723 | |
| 24 | I | A | 0.0000 | |
| 25 | L | A | 0.0000 | |
| 26 | V | A | 0.0000 | |
| 27 | D | A | 0.0000 | |
| 28 | F | A | 0.0000 | |
| 29 | W | A | -0.1813 | |
| 30 | A | A | 0.0000 | |
| 31 | E | A | -0.9731 | |
| 32 | W | A | 0.4247 | |
| 33 | C | A | 0.0000 | |
| 34 | G | A | 0.0629 | |
| 35 | P | A | 0.2653 | |
| 36 | C | A | 0.0000 | |
| 37 | K | A | 0.0844 | |
| 38 | M | A | 0.8240 | |
| 39 | I | A | 0.0000 | |
| 40 | A | A | 0.0000 | |
| 41 | P | A | -0.4728 | |
| 42 | I | A | -0.6634 | |
| 43 | L | A | 0.0000 | |
| 44 | D | A | -1.7265 | |
| 45 | E | A | -2.6299 | |
| 46 | I | A | 0.0000 | |
| 47 | A | A | 0.0000 | |
| 48 | D | A | -3.7876 | |
| 49 | E | A | -3.7211 | |
| 50 | Y | A | 0.0000 | |
| 51 | Q | A | -3.3901 | |
| 52 | G | A | -2.3508 | |
| 53 | K | A | -2.5553 | |
| 54 | L | A | 0.0000 | |
| 55 | T | A | -1.2488 | |
| 56 | V | A | 0.0000 | |
| 57 | A | A | 0.0000 | |
| 58 | K | A | -0.1342 | |
| 59 | L | A | 0.0000 | |
| 60 | N | A | 0.0000 | |
| 61 | I | A | -1.2772 | |
| 62 | D | A | -2.3346 | |
| 63 | Q | A | -2.2194 | |
| 64 | N | A | -1.8197 | |
| 65 | P | A | -1.5034 | |
| 66 | G | A | -1.4681 | |
| 67 | T | A | 0.0000 | |
| 68 | A | A | 0.0000 | |
| 69 | P | A | -1.4400 | |
| 70 | K | A | -2.0477 | |
| 71 | Y | A | -1.4679 | |
| 72 | G | A | -1.7446 | |
| 73 | I | A | 0.0000 | |
| 74 | R | A | -1.9927 | |
| 75 | G | A | -0.9311 | |
| 76 | I | A | -0.1674 | |
| 77 | P | A | 0.0000 | |
| 78 | T | A | 0.0000 | |
| 79 | L | A | 0.0000 | |
| 80 | L | A | 0.0000 | |
| 81 | L | A | 0.0000 | |
| 82 | F | A | 0.0000 | |
| 83 | K | A | -2.2273 | |
| 84 | N | A | -3.0585 | |
| 85 | G | A | -2.7287 | |
| 86 | E | A | -2.7464 | |
| 87 | V | A | 0.0000 | |
| 88 | A | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | T | A | 0.0000 | |
| 91 | K | A | 0.0000 | |
| 92 | V | A | 0.1394 | |
| 93 | G | A | 0.2377 | |
| 94 | A | A | 0.1167 | |
| 95 | L | A | -0.2632 | |
| 96 | S | A | -1.0058 | |
| 97 | K | A | -1.8757 | |
| 98 | G | A | -1.8986 | |
| 99 | Q | A | -2.3362 | |
| 100 | L | A | 0.0000 | |
| 101 | K | A | -2.7080 | |
| 102 | E | A | -3.1876 | |
| 103 | F | A | 0.0000 | |
| 104 | L | A | 0.0000 | |
| 105 | D | A | -2.4081 | |
| 106 | A | A | -1.3477 | |
| 107 | N | A | -1.0627 | |
| 108 | L | A | -1.1181 | |
| 109 | A | A | -0.6592 | |
| 110 | G | A | -0.8186 | |
| 111 | S | A | -0.6998 | |
| 112 | G | A | -0.7695 | |
| 113 | S | A | -0.5420 | |
| 114 | G | A | -0.3961 | |
| 115 | M | A | 0.0093 | |
| 116 | H | A | -1.2730 | |
| 117 | H | A | -1.9533 | |
| 118 | H | A | -2.4118 | |
| 119 | H | A | -2.4322 | |
| 120 | H | A | -2.2336 | |
| 121 | H | A | -1.9063 | |
| 122 | S | A | -1.1327 | |
| 123 | S | A | -0.8156 | |
| 124 | G | A | -1.0584 | |
| 125 | P | A | -1.1339 | |
| 126 | D | A | -1.4120 | |
| 127 | L | A | 0.4848 | |
| 128 | G | A | -0.1883 | |
| 129 | T | A | 0.1833 | |
| 130 | W | A | 0.6515 | |
| 131 | E | A | -0.8059 | |
| 132 | L | A | 0.5543 | |
| 133 | Q | A | -0.5866 | |
| 134 | M | A | -0.0603 | |
| 135 | S | A | -0.3965 | |
| 136 | L | A | 0.0000 | |
| 137 | D | A | -0.5263 | |
| 138 | I | A | 0.0000 | |
| 139 | Q | A | 0.0000 | |
| 140 | C | A | 0.0000 | |
| 141 | E | A | 0.0000 | |
| 142 | Q | A | -2.0589 | |
| 143 | L | A | 0.0000 | |
| 144 | S | A | -1.6892 | |
| 145 | D | A | -2.0464 | |
| 146 | A | A | -1.0952 | |
| 147 | R | A | -1.5532 | |
| 148 | W | A | 0.0000 | |
| 149 | M | A | -0.3915 | |
| 150 | E | A | -1.5928 | |
| 151 | L | A | 0.0000 | |
| 152 | L | A | -0.4127 | |
| 153 | P | A | -0.5428 | |
| 154 | L | A | -0.3733 | |
| 155 | I | A | 0.0000 | |
| 156 | Q | A | -1.3117 | |
| 157 | Q | A | -1.2928 | |
| 158 | Y | A | -0.5914 | |
| 159 | Q | A | -0.9064 | |
| 160 | V | A | -0.5878 | |
| 161 | V | A | 0.0000 | |
| 162 | R | A | -0.6140 | |
| 163 | L | A | 0.0000 | |
| 164 | D | A | 0.0000 | |
| 165 | D | A | 0.0000 | |
| 166 | C | A | 0.0000 | |
| 167 | G | A | -1.4811 | |
| 168 | L | A | 0.0000 | |
| 169 | T | A | -1.0740 | |
| 170 | E | A | -1.3827 | |
| 171 | V | A | 0.4801 | |
| 172 | R | A | -0.8142 | |
| 173 | C | A | 0.0000 | |
| 174 | K | A | -1.9445 | |
| 175 | D | A | -1.1400 | |
| 176 | I | A | 0.0000 | |
| 177 | S | A | 0.0000 | |
| 178 | S | A | -1.4345 | |
| 179 | A | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | R | A | -2.0105 | |
| 182 | A | A | -1.2334 | |
| 183 | N | A | 0.0000 | |
| 184 | P | A | -1.3674 | |
| 185 | S | A | -1.1683 | |
| 186 | L | A | 0.0000 | |
| 187 | T | A | -1.1616 | |
| 188 | E | A | -1.1371 | |
| 189 | L | A | 0.0000 | |
| 190 | S | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | R | A | -0.8773 | |
| 193 | T | A | -1.2759 | |
| 194 | N | A | 0.0000 | |
| 195 | E | A | -2.2426 | |
| 196 | L | A | 0.0000 | |
| 197 | G | A | -1.0899 | |
| 198 | D | A | -1.1390 | |
| 199 | A | A | -0.6090 | |
| 200 | G | A | 0.0000 | |
| 201 | V | A | 0.0000 | |
| 202 | H | A | -1.0783 | |
| 203 | L | A | -0.8776 | |
| 204 | V | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | Q | A | -1.2321 | |
| 207 | G | A | 0.0000 | |
| 208 | L | A | 0.0000 | |
| 209 | Q | A | -1.0891 | |
| 210 | S | A | -1.1916 | |
| 211 | P | A | -0.8845 | |
| 212 | T | A | -1.0128 | |
| 213 | C | A | -1.4295 | |
| 214 | K | A | -2.1211 | |
| 215 | I | A | 0.0000 | |
| 216 | Q | A | -1.6539 | |
| 217 | K | A | -1.6191 | |
| 218 | L | A | 0.0000 | |
| 219 | S | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | Q | A | -0.6454 | |
| 222 | N | A | -1.2182 | |
| 223 | C | A | 0.0000 | |
| 224 | C | A | -0.4901 | |
| 225 | L | A | 0.0000 | |
| 226 | T | A | -0.8461 | |
| 227 | E | A | -1.7478 | |
| 228 | A | A | -0.8141 | |
| 229 | G | A | 0.0000 | |
| 230 | C | A | 0.0000 | |
| 231 | G | A | -0.9773 | |
| 232 | V | A | -0.2878 | |
| 233 | L | A | 0.0000 | |
| 234 | P | A | -0.8910 | |
| 235 | G | A | -0.9818 | |
| 236 | V | A | 0.0000 | |
| 237 | L | A | 0.0000 | |
| 238 | H | A | -1.3234 | |
| 239 | S | A | -0.8237 | |
| 240 | I | A | 0.0000 | |
| 241 | P | A | -1.1334 | |
| 242 | T | A | -1.2025 | |
| 243 | L | A | 0.0000 | |
| 244 | R | A | -1.5390 | |
| 245 | E | A | -1.4363 | |
| 246 | L | A | 0.0000 | |
| 247 | H | A | -0.7512 | |
| 248 | L | A | 0.0000 | |
| 249 | N | A | 0.0000 | |
| 250 | D | A | -0.6283 | |
| 251 | N | A | 0.0000 | |
| 252 | P | A | -0.8332 | |
| 253 | L | A | 0.0000 | |
| 254 | G | A | -1.1199 | |
| 255 | D | A | -1.0263 | |
| 256 | A | A | -0.7855 | |
| 257 | G | A | 0.0000 | |
| 258 | L | A | 0.0000 | |
| 259 | R | A | -1.5558 | |
| 260 | L | A | -0.9673 | |
| 261 | L | A | 0.0000 | |
| 262 | C | A | 0.0000 | |
| 263 | E | A | -1.8463 | |
| 264 | G | A | 0.0000 | |
| 265 | L | A | 0.0000 | |
| 266 | L | A | -0.5057 | |
| 267 | D | A | -0.9953 | |
| 268 | P | A | -0.7462 | |
| 269 | Q | A | -1.0893 | |
| 270 | C | A | 0.0000 | |
| 271 | R | A | -1.7241 | |
| 272 | L | A | 0.0000 | |
| 273 | E | A | -1.5384 | |
| 274 | K | A | -1.5507 | |
| 275 | L | A | 0.0000 | |
| 276 | Q | A | -0.5056 | |
| 277 | L | A | 0.0000 | |
| 278 | E | A | -0.4301 | |
| 279 | Y | A | 0.0428 | |
| 280 | C | A | 0.0000 | |
| 281 | N | A | -1.5501 | |
| 282 | L | A | 0.0000 | |
| 283 | T | A | -1.2326 | |
| 284 | A | A | -1.3130 | |
| 285 | A | A | -0.7200 | |
| 286 | S | A | 0.0000 | |
| 287 | C | A | 0.0000 | |
| 288 | E | A | -1.9069 | |
| 289 | P | A | -1.2663 | |
| 290 | L | A | 0.0000 | |
| 291 | A | A | 0.0000 | |
| 292 | A | A | -1.3059 | |
| 293 | V | A | 0.0000 | |
| 294 | L | A | 0.0000 | |
| 295 | R | A | -2.4154 | |
| 296 | A | A | -1.1467 | |
| 297 | K | A | -1.1387 | |
| 298 | S | A | -1.2324 | |
| 299 | H | A | -1.5113 | |
| 300 | F | A | 0.0000 | |
| 301 | K | A | -1.5705 | |
| 302 | E | A | 0.0000 | |
| 303 | L | A | 0.0000 | |
| 304 | A | A | 0.0000 | |
| 305 | V | A | 0.0000 | |
| 306 | S | A | 0.0000 | |
| 307 | N | A | -1.0495 | |
| 308 | N | A | 0.0000 | |
| 309 | D | A | -2.6795 | |
| 310 | I | A | 0.0000 | |
| 311 | Q | A | -2.5732 | |
| 312 | E | A | -2.1280 | |
| 313 | A | A | -1.3204 | |
| 314 | G | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | Q | A | -1.5659 | |
| 317 | A | A | -0.8265 | |
| 318 | L | A | 0.0000 | |
| 319 | C | A | 0.0000 | |
| 320 | C | A | -0.9210 | |
| 321 | G | A | 0.0000 | |
| 322 | L | A | 0.0000 | |
| 323 | K | A | -2.2180 | |
| 324 | D | A | -2.7384 | |
| 325 | S | A | 0.0000 | |
| 326 | A | A | -1.2072 | |
| 327 | C | A | 0.0000 | |
| 328 | P | A | -0.8512 | |
| 329 | L | A | 0.0000 | |
| 330 | E | A | -1.8823 | |
| 331 | T | A | -1.1918 | |
| 332 | L | A | 0.0000 | |
| 333 | K | A | -0.8660 | |
| 334 | L | A | 0.0000 | |
| 335 | E | A | -1.2197 | |
| 336 | N | A | -2.1371 | |
| 337 | C | A | 0.0000 | |
| 338 | G | A | -2.2290 | |
| 339 | V | A | 0.0000 | |
| 340 | T | A | -1.3682 | |
| 341 | A | A | -1.1528 | |
| 342 | A | A | -1.0134 | |
| 343 | N | A | 0.0000 | |
| 344 | C | A | 0.0000 | |
| 345 | R | A | -2.5319 | |
| 346 | D | A | -1.5390 | |
| 347 | L | A | 0.0000 | |
| 348 | S | A | -1.3008 | |
| 349 | G | A | -0.8455 | |
| 350 | V | A | 0.0000 | |
| 351 | V | A | 0.0000 | |
| 352 | A | A | -0.4493 | |
| 353 | S | A | -0.7605 | |
| 354 | K | A | 0.0000 | |
| 355 | A | A | -0.8654 | |
| 356 | S | A | -1.1082 | |
| 357 | L | A | 0.0000 | |
| 358 | Q | A | -2.1758 | |
| 359 | E | A | -1.6550 | |
| 360 | L | A | 0.0000 | |
| 361 | D | A | -0.5149 | |
| 362 | L | A | 0.0000 | |
| 363 | G | A | 0.0000 | |
| 364 | S | A | -1.6238 | |
| 365 | N | A | 0.0000 | |
| 366 | K | A | -2.6469 | |
| 367 | L | A | 0.0000 | |
| 368 | G | A | -1.7139 | |
| 369 | D | A | -1.9601 | |
| 370 | A | A | -0.8595 | |
| 371 | G | A | 0.0000 | |
| 372 | I | A | 0.0000 | |
| 373 | A | A | -1.7416 | |
| 374 | D | A | -2.2669 | |
| 375 | L | A | 0.0000 | |
| 376 | C | A | 0.0000 | |
| 377 | P | A | -1.1569 | |
| 378 | A | A | 0.0000 | |
| 379 | L | A | 0.0000 | |
| 380 | L | A | -0.6852 | |
| 381 | Q | A | -1.0038 | |
| 382 | A | A | -0.6298 | |
| 383 | S | A | -0.8093 | |
| 384 | C | A | 0.0000 | |
| 385 | R | A | -2.6817 | |
| 386 | L | A | 0.0000 | |
| 387 | R | A | -2.9089 | |
| 388 | V | A | 0.0000 | |
| 389 | L | A | 0.0000 | |
| 390 | W | A | -0.0935 | |
| 391 | L | A | 0.0000 | |
| 392 | W | A | -0.6854 | |
| 393 | E | A | -2.2000 | |
| 394 | C | A | 0.0000 | |
| 395 | D | A | -2.5090 | |
| 396 | I | A | 0.0000 | |
| 397 | T | A | -1.4933 | |
| 398 | A | A | -1.9262 | |
| 399 | E | A | -2.7603 | |
| 400 | G | A | 0.0000 | |
| 401 | C | A | 0.0000 | |
| 402 | R | A | -3.4513 | |
| 403 | D | A | -2.9032 | |
| 404 | L | A | 0.0000 | |
| 405 | C | A | 0.0000 | |
| 406 | R | A | -2.6834 | |
| 407 | V | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | R | A | -1.9830 | |
| 410 | A | A | -1.3325 | |
| 411 | K | A | 0.0000 | |
| 412 | Q | A | -2.1675 | |
| 413 | S | A | -2.0494 | |
| 414 | L | A | 0.0000 | |
| 415 | K | A | -2.0511 | |
| 416 | E | A | -1.3897 | |
| 417 | L | A | 0.0000 | |
| 418 | S | A | 0.0000 | |
| 419 | L | A | 0.0000 | |
| 420 | A | A | -0.6289 | |
| 421 | S | A | -1.1510 | |
| 422 | N | A | 0.0000 | |
| 423 | P | A | -0.9164 | |
| 424 | L | A | 0.0000 | |
| 425 | G | A | -0.8269 | |
| 426 | D | A | -1.4132 | |
| 427 | G | A | -1.5923 | |
| 428 | G | A | 0.0000 | |
| 429 | A | A | 0.0000 | |
| 430 | R | A | -2.2683 | |
| 431 | L | A | -1.9940 | |
| 432 | L | A | 0.0000 | |
| 433 | C | A | 0.0000 | |
| 434 | E | A | -1.6638 | |
| 435 | S | A | 0.0000 | |
| 436 | L | A | 0.0000 | |
| 437 | L | A | -0.9806 | |
| 438 | E | A | -1.5029 | |
| 439 | P | A | -1.2247 | |
| 440 | S | A | -1.1487 | |
| 441 | C | A | 0.0000 | |
| 442 | Q | A | -1.9965 | |
| 443 | L | A | 0.0000 | |
| 444 | E | A | -1.9077 | |
| 445 | S | A | 0.0000 | |
| 446 | L | A | 0.0000 | |
| 447 | W | A | -0.0173 | |
| 448 | V | A | 0.0000 | |
| 449 | K | A | -1.1197 | |
| 450 | T | A | -1.3222 | |
| 451 | C | A | 0.0000 | |
| 452 | S | A | -1.0216 | |
| 453 | L | A | 0.0000 | |
| 454 | T | A | -1.4869 | |
| 455 | E | A | -2.1949 | |
| 456 | A | A | -1.2568 | |
| 457 | C | A | 0.0000 | |
| 458 | C | A | 0.0000 | |
| 459 | P | A | -1.3109 | |
| 460 | H | A | -1.1523 | |
| 461 | F | A | 0.0000 | |
| 462 | R | A | -1.6727 | |
| 463 | S | A | -1.0326 | |
| 464 | V | A | 0.0000 | |
| 465 | L | A | 0.0000 | |
| 466 | T | A | -1.3967 | |
| 467 | Q | A | -1.7739 | |
| 468 | N | A | 0.0000 | |
| 469 | K | A | -2.0336 | |
| 470 | S | A | -1.4329 | |
| 471 | L | A | 0.0000 | |
| 472 | L | A | -0.9556 | |
| 473 | E | A | -1.0021 | |
| 474 | L | A | 0.0000 | |
| 475 | Q | A | 0.0000 | |
| 476 | M | A | 0.0000 | |
| 477 | S | A | 0.0000 | |
| 478 | D | A | -2.1748 | |
| 479 | N | A | 0.0000 | |
| 480 | K | A | -2.6520 | |
| 481 | L | A | 0.0000 | |
| 482 | G | A | -1.7047 | |
| 483 | D | A | -1.7558 | |
| 484 | A | A | -1.3738 | |
| 485 | G | A | 0.0000 | |
| 486 | V | A | 0.0000 | |
| 487 | R | A | -2.7754 | |
| 488 | E | A | -2.1779 | |
| 489 | L | A | 0.0000 | |
| 490 | C | A | 0.0000 | |
| 491 | Q | A | -2.1919 | |
| 492 | G | A | 0.0000 | |
| 493 | L | A | 0.0000 | |
| 494 | G | A | -1.2576 | |
| 495 | Q | A | -1.6907 | |
| 496 | P | A | -1.0837 | |
| 497 | G | A | -1.2807 | |
| 498 | S | A | -1.4328 | |
| 499 | V | A | -1.1124 | |
| 500 | L | A | 0.0000 | |
| 501 | R | A | -2.3584 | |
| 502 | V | A | 0.0000 | |
| 503 | L | A | 0.0000 | |
| 504 | W | A | -0.3134 | |
| 505 | L | A | 0.0000 | |
| 506 | G | A | 0.0000 | |
| 507 | D | A | -2.4296 | |
| 508 | C | A | 0.0000 | |
| 509 | G | A | -1.5055 | |
| 510 | V | A | 0.0000 | |
| 511 | S | A | -0.4071 | |
| 512 | D | A | -1.0094 | |
| 513 | S | A | -0.8293 | |
| 514 | G | A | 0.0000 | |
| 515 | C | A | 0.0000 | |
| 516 | S | A | -0.9456 | |
| 517 | S | A | 0.0000 | |
| 518 | L | A | 0.0000 | |
| 519 | A | A | 0.0000 | |
| 520 | S | A | -0.6036 | |
| 521 | M | A | 0.0000 | |
| 522 | L | A | 0.0000 | |
| 523 | L | A | -0.2927 | |
| 524 | A | A | -0.5728 | |
| 525 | S | A | 0.0000 | |
| 526 | R | A | -2.2662 | |
| 527 | S | A | -1.6519 | |
| 528 | L | A | 0.0000 | |
| 529 | R | A | -2.2574 | |
| 530 | E | A | -1.6118 | |
| 531 | L | A | 0.0000 | |
| 532 | D | A | 0.0000 | |
| 533 | L | A | 0.0000 | |
| 534 | S | A | -1.2587 | |
| 535 | N | A | -2.0718 | |
| 536 | N | A | 0.0000 | |
| 537 | C | A | -0.0119 | |
| 538 | M | A | 0.0000 | |
| 539 | G | A | -0.1077 | |
| 540 | D | A | -1.3816 | |
| 541 | P | A | -1.2272 | |
| 542 | G | A | 0.0000 | |
| 543 | I | A | 0.0000 | |
| 544 | R | A | -2.8660 | |
| 545 | Q | A | -2.1191 | |
| 546 | L | A | 0.0000 | |
| 547 | L | A | 0.0000 | |
| 548 | E | A | -3.0396 | |
| 549 | S | A | 0.0000 | |
| 550 | V | A | 0.0000 | |
| 551 | R | A | -2.9149 | |
| 552 | Q | A | -1.9637 | |
| 553 | P | A | -1.0594 | |
| 554 | S | A | -0.9362 | |
| 555 | C | A | 0.0000 | |
| 556 | G | A | -1.4030 | |
| 557 | L | A | 0.0000 | |
| 558 | E | A | -2.5273 | |
| 559 | Q | A | -1.3817 | |
| 560 | L | A | 0.0000 | |
| 561 | V | A | 0.0000 | |
| 562 | L | A | 0.0000 | |
| 563 | Y | A | 0.0000 | |
| 564 | D | A | -2.0588 | |
| 565 | I | A | 0.0000 | |
| 566 | Y | A | 0.5359 | |
| 567 | W | A | -0.4433 | |
| 568 | T | A | -1.8298 | |
| 569 | E | A | -3.5416 | |
| 570 | E | A | -3.8710 | |
| 571 | M | A | 0.0000 | |
| 572 | D | A | -3.4645 | |
| 573 | D | A | -4.1867 | |
| 574 | Q | A | -3.5949 | |
| 575 | L | A | 0.0000 | |
| 576 | R | A | -3.2375 | |
| 577 | A | A | -2.8288 | |
| 578 | L | A | 0.0000 | |
| 579 | E | A | -2.6776 | |
| 580 | E | A | -3.5407 | |
| 581 | D | A | -3.3583 | |
| 582 | K | A | -2.7142 | |
| 583 | P | A | -2.1073 | |
| 584 | S | A | -1.5978 | |
| 585 | L | A | 0.0000 | |
| 586 | R | A | -1.2438 | |
| 587 | I | A | 0.0000 | |
| 588 | I | A | 0.0000 | |
| 589 | S | A | -0.2183 |
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 | -0.6011 | 3.8143 | View | CSV | PDB |
| 4.5 | -0.6681 | 3.6669 | View | CSV | PDB |
| 5.0 | -0.751 | 3.4665 | View | CSV | PDB |
| 5.5 | -0.8367 | 3.2468 | View | CSV | PDB |
| 6.0 | -0.9126 | 3.0416 | View | CSV | PDB |
| 6.5 | -0.9705 | 2.8851 | View | CSV | PDB |
| 7.0 | -1.0088 | 2.7959 | View | CSV | PDB |
| 7.5 | -1.0321 | 2.7578 | View | CSV | PDB |
| 8.0 | -1.0454 | 2.7442 | View | CSV | PDB |
| 8.5 | -1.0498 | 2.7397 | View | CSV | PDB |
| 9.0 | -1.0439 | 2.7383 | 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