| Chain sequence(s) |
A: MIEKRQTIPSVNIRQRQIAELAEPLHENALLHRLFAARGVTHPQELNFSLAGLPRPDDLPQIGLAIDRLLKARDCAERVLIVGDYDCDGATSTCVAMLGLGMLGFTQLDYLIPSRFEFGYGLSPAIVDIAHREYQAQLIITVDNGVASVDGVEQAAALGIDVVVTDHHLAPEVLPQAVAIVNPNLPGATFEGRNLAGVGVIFYTLLALRSRLRLLGDPYANAALPQLLDLVAIGTVADVVALDGVNRTLVEQGLRRIRAGHSRPGVLALLDIAGKSANTMSTQDIGFGIGPRLNAAGRLDDMRIGVQCLMSVNAEQAMPLAQQLNSLNSERRGIEAEMRVGAEAQLDKLALESAVVENTFGLCLHDDHWHQGVIGILAGRIKEATYKPVVVFTADDEHNLKGSARSIPGVHIRDILQNIVARHPGMISRFGGHAMAAGLTLPREELEPFRDAFNEAVKVVLNGRHSEREFLTDGALNNSERTLENALLLVNVAPWGQAFEAPVFNDTFRIVSQKSVGEEKLHLKLLLEAQDSDQRIDAIAFRQAPVASEGDLLQVVYTLDANHFRNKYTLQLQVQHIEALA
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] (00:00:12)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:12)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:12)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:12)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:16)
[INFO] FoldX: Starting FoldX energy minimization (00:00:16)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:39)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/9924926c6354dbe/tmp/folded.pdb (00:10:39)
[INFO] Main: Simulation completed successfully. (00:20:10)
|
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 |
|---|---|---|---|---|
| 1 | M | A | 1.2766 | |
| 2 | I | A | 0.8713 | |
| 3 | E | A | -2.1133 | |
| 4 | K | A | -3.1497 | |
| 5 | R | A | -3.4555 | |
| 6 | Q | A | -2.8066 | |
| 7 | T | A | -1.4014 | |
| 8 | I | A | -0.3174 | |
| 9 | P | A | -0.3460 | |
| 10 | S | A | -0.2505 | |
| 11 | V | A | -1.1074 | |
| 12 | N | A | -1.7981 | |
| 13 | I | A | -1.2544 | |
| 14 | R | A | -2.4368 | |
| 15 | Q | A | -2.0059 | |
| 16 | R | A | -1.3668 | |
| 17 | Q | A | -1.7696 | |
| 18 | I | A | -0.8531 | |
| 19 | A | A | -0.9916 | |
| 20 | E | A | -1.8308 | |
| 21 | L | A | -0.9616 | |
| 22 | A | A | -0.8369 | |
| 23 | E | A | -1.4890 | |
| 24 | P | A | -1.6504 | |
| 25 | L | A | 0.0000 | |
| 26 | H | A | -1.7918 | |
| 27 | E | A | -2.2228 | |
| 28 | N | A | -1.4677 | |
| 29 | A | A | -0.8984 | |
| 30 | L | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | H | A | -0.9800 | |
| 33 | R | A | -0.7549 | |
| 34 | L | A | 0.0000 | |
| 35 | F | A | 0.0000 | |
| 36 | A | A | 0.0000 | |
| 37 | A | A | -0.8766 | |
| 38 | R | A | -0.7336 | |
| 39 | G | A | -0.8043 | |
| 40 | V | A | 0.0000 | |
| 41 | T | A | -1.2352 | |
| 42 | H | A | -1.7738 | |
| 43 | P | A | -1.9936 | |
| 44 | Q | A | -2.3363 | |
| 45 | E | A | -2.0693 | |
| 46 | L | A | -1.3837 | |
| 47 | N | A | -1.8466 | |
| 48 | F | A | 0.0000 | |
| 49 | S | A | -0.7556 | |
| 50 | L | A | 0.0864 | |
| 51 | A | A | -0.2940 | |
| 52 | G | A | -1.0070 | |
| 53 | L | A | -0.6562 | |
| 54 | P | A | -1.7527 | |
| 55 | R | A | -2.8783 | |
| 56 | P | A | -2.3117 | |
| 57 | D | A | -3.0177 | |
| 58 | D | A | -2.7294 | |
| 59 | L | A | 0.0000 | |
| 60 | P | A | -0.8474 | |
| 61 | Q | A | -0.4712 | |
| 62 | I | A | 0.0000 | |
| 63 | G | A | -0.6931 | |
| 64 | L | A | 0.6829 | |
| 65 | A | A | 0.0000 | |
| 66 | I | A | 0.0000 | |
| 67 | D | A | -1.7219 | |
| 68 | R | A | -1.3925 | |
| 69 | L | A | 0.0000 | |
| 70 | L | A | -1.8421 | |
| 71 | K | A | -2.6581 | |
| 72 | A | A | 0.0000 | |
| 73 | R | A | -1.7786 | |
| 74 | D | A | -2.2104 | |
| 75 | C | A | -0.9707 | |
| 76 | A | A | -1.1844 | |
| 77 | E | A | -1.5358 | |
| 78 | R | A | -1.8310 | |
| 79 | V | A | 0.0000 | |
| 80 | L | A | 0.0000 | |
| 81 | I | A | 0.0000 | |
| 82 | V | A | 0.0000 | |
| 83 | G | A | 0.0000 | |
| 84 | D | A | -0.1423 | |
| 85 | Y | A | -0.6890 | |
| 86 | D | A | -0.6419 | |
| 87 | C | A | 0.0000 | |
| 88 | D | A | 0.0000 | |
| 89 | G | A | 0.0000 | |
| 90 | A | A | 0.0000 | |
| 91 | T | A | 0.0000 | |
| 92 | S | A | 0.0000 | |
| 93 | T | A | 0.0000 | |
| 94 | C | A | 0.0000 | |
| 95 | V | A | 0.0000 | |
| 96 | A | A | 0.0000 | |
| 97 | M | A | 0.0002 | |
| 98 | L | A | 0.3060 | |
| 99 | G | A | 0.0000 | |
| 100 | L | A | 0.0000 | |
| 101 | G | A | -0.1174 | |
| 102 | M | A | 0.1335 | |
| 103 | L | A | 0.0000 | |
| 104 | G | A | -0.3607 | |
| 105 | F | A | 0.0000 | |
| 106 | T | A | -0.9673 | |
| 107 | Q | A | -1.8003 | |
| 108 | L | A | -1.0963 | |
| 109 | D | A | -1.2949 | |
| 110 | Y | A | -0.4438 | |
| 111 | L | A | -0.1985 | |
| 112 | I | A | 0.0000 | |
| 113 | P | A | 0.0000 | |
| 114 | S | A | -0.7666 | |
| 115 | R | A | -0.3832 | |
| 116 | F | A | -0.2152 | |
| 117 | E | A | -1.2513 | |
| 118 | F | A | -0.1965 | |
| 119 | G | A | -0.0421 | |
| 120 | Y | A | 0.5146 | |
| 121 | G | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | S | A | -0.4902 | |
| 124 | P | A | -0.8532 | |
| 125 | A | A | -0.4108 | |
| 126 | I | A | 0.0000 | |
| 127 | V | A | 0.0000 | |
| 128 | D | A | -1.1270 | |
| 129 | I | A | -1.0583 | |
| 130 | A | A | 0.0000 | |
| 131 | H | A | -2.0301 | |
| 132 | R | A | -2.9936 | |
| 133 | E | A | -2.8201 | |
| 134 | Y | A | -1.9350 | |
| 135 | Q | A | -2.2484 | |
| 136 | A | A | 0.0000 | |
| 137 | Q | A | -1.2798 | |
| 138 | L | A | 0.0000 | |
| 139 | I | A | 0.0000 | |
| 140 | I | A | 0.0000 | |
| 141 | T | A | 0.0000 | |
| 142 | V | A | 0.0000 | |
| 143 | D | A | 0.0000 | |
| 144 | N | A | 0.0000 | |
| 145 | G | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | A | A | 0.0049 | |
| 148 | S | A | -0.3762 | |
| 149 | V | A | -0.7435 | |
| 150 | D | A | -2.4256 | |
| 151 | G | A | 0.0000 | |
| 152 | V | A | 0.0000 | |
| 153 | E | A | -2.6208 | |
| 154 | Q | A | -1.5455 | |
| 155 | A | A | 0.0000 | |
| 156 | A | A | -1.0711 | |
| 157 | A | A | -0.4743 | |
| 158 | L | A | -0.3557 | |
| 159 | G | A | -0.7532 | |
| 160 | I | A | 0.0000 | |
| 161 | D | A | -1.0018 | |
| 162 | V | A | 0.0000 | |
| 163 | V | A | 0.0000 | |
| 164 | V | A | 0.0000 | |
| 165 | T | A | 0.0000 | |
| 166 | D | A | 0.0000 | |
| 167 | H | A | 0.0000 | |
| 168 | H | A | -0.1689 | |
| 169 | L | A | -0.1129 | |
| 170 | A | A | -0.0421 | |
| 171 | P | A | -0.1913 | |
| 172 | E | A | -0.8754 | |
| 173 | V | A | 1.0738 | |
| 174 | L | A | 0.7550 | |
| 175 | P | A | 0.0000 | |
| 176 | Q | A | -1.2312 | |
| 177 | A | A | -0.4874 | |
| 178 | V | A | 0.2864 | |
| 179 | A | A | 0.0000 | |
| 180 | I | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | N | A | 0.0000 | |
| 183 | P | A | 0.0000 | |
| 184 | N | A | -0.6732 | |
| 185 | L | A | 0.0000 | |
| 186 | P | A | -0.7074 | |
| 187 | G | A | -0.6351 | |
| 188 | A | A | -1.0571 | |
| 189 | T | A | -1.1514 | |
| 190 | F | A | 0.0000 | |
| 191 | E | A | -2.7646 | |
| 192 | G | A | 0.0000 | |
| 193 | R | A | -2.1442 | |
| 194 | N | A | -1.6057 | |
| 195 | L | A | 0.0000 | |
| 196 | A | A | 0.0000 | |
| 197 | G | A | 0.0000 | |
| 198 | V | A | 0.0000 | |
| 199 | G | A | 0.0000 | |
| 200 | V | A | 0.0000 | |
| 201 | I | A | 0.0000 | |
| 202 | F | A | 0.0000 | |
| 203 | Y | A | 0.0000 | |
| 204 | T | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | L | A | -0.5568 | |
| 207 | A | A | 0.0000 | |
| 208 | L | A | 0.0000 | |
| 209 | R | A | -0.7849 | |
| 210 | S | A | -1.2147 | |
| 211 | R | A | -0.6341 | |
| 212 | L | A | 0.0000 | |
| 213 | R | A | -1.2770 | |
| 214 | L | A | 0.9501 | |
| 215 | L | A | 1.1714 | |
| 216 | G | A | -0.1627 | |
| 217 | D | A | -0.3817 | |
| 218 | P | A | -0.4069 | |
| 219 | Y | A | -0.1089 | |
| 220 | A | A | 0.0000 | |
| 221 | N | A | -1.5215 | |
| 222 | A | A | -0.7030 | |
| 223 | A | A | -0.4921 | |
| 224 | L | A | 0.0000 | |
| 225 | P | A | -0.5727 | |
| 226 | Q | A | -1.3359 | |
| 227 | L | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | L | A | 0.0000 | |
| 231 | V | A | 0.0000 | |
| 232 | A | A | 0.0000 | |
| 233 | I | A | 0.0000 | |
| 234 | G | A | 0.0000 | |
| 235 | T | A | 0.0000 | |
| 236 | V | A | 0.3313 | |
| 237 | A | A | 0.4335 | |
| 238 | D | A | 0.1493 | |
| 239 | V | A | 1.4261 | |
| 240 | V | A | 0.5109 | |
| 241 | A | A | -0.3530 | |
| 242 | L | A | 0.0000 | |
| 243 | D | A | -1.1718 | |
| 244 | G | A | -1.0263 | |
| 245 | V | A | 0.0000 | |
| 246 | N | A | 0.0000 | |
| 247 | R | A | 0.0000 | |
| 248 | T | A | 0.0000 | |
| 249 | L | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | E | A | 0.0000 | |
| 252 | Q | A | -0.4802 | |
| 253 | G | A | 0.0000 | |
| 254 | L | A | 0.0000 | |
| 255 | R | A | -1.5426 | |
| 256 | R | A | -1.6130 | |
| 257 | I | A | 0.0000 | |
| 258 | R | A | -1.5758 | |
| 259 | A | A | -1.2381 | |
| 260 | G | A | -1.3854 | |
| 261 | H | A | -1.6461 | |
| 262 | S | A | -1.0191 | |
| 263 | R | A | -0.2692 | |
| 264 | P | A | -0.0607 | |
| 265 | G | A | 0.0000 | |
| 266 | V | A | 0.0000 | |
| 267 | L | A | -0.1385 | |
| 268 | A | A | 0.0000 | |
| 269 | L | A | 0.0000 | |
| 270 | L | A | 0.0000 | |
| 271 | D | A | -1.7947 | |
| 272 | I | A | -0.9291 | |
| 273 | A | A | -0.6386 | |
| 274 | G | A | -1.3534 | |
| 275 | K | A | -1.6074 | |
| 276 | S | A | -1.4366 | |
| 277 | A | A | -1.5424 | |
| 278 | N | A | -1.7929 | |
| 279 | T | A | -1.0722 | |
| 280 | M | A | 0.0000 | |
| 281 | S | A | -0.7899 | |
| 282 | T | A | 0.0000 | |
| 283 | Q | A | -0.1688 | |
| 284 | D | A | -0.2545 | |
| 285 | I | A | 0.0000 | |
| 286 | G | A | 0.5879 | |
| 287 | F | A | 1.5217 | |
| 288 | G | A | 0.0000 | |
| 289 | I | A | 0.0000 | |
| 290 | G | A | 0.0000 | |
| 291 | P | A | -0.0474 | |
| 292 | R | A | -0.3466 | |
| 293 | L | A | 0.0000 | |
| 294 | N | A | -0.5992 | |
| 295 | A | A | 0.0000 | |
| 296 | A | A | 0.0000 | |
| 297 | G | A | 0.0000 | |
| 298 | R | A | -0.7237 | |
| 299 | L | A | -1.0545 | |
| 300 | D | A | -1.9763 | |
| 301 | D | A | -1.6427 | |
| 302 | M | A | 0.0000 | |
| 303 | R | A | -2.0364 | |
| 304 | I | A | -1.1129 | |
| 305 | G | A | 0.0000 | |
| 306 | V | A | 0.0000 | |
| 307 | Q | A | -0.8205 | |
| 308 | C | A | 0.0000 | |
| 309 | L | A | 0.0000 | |
| 310 | M | A | 0.3913 | |
| 311 | S | A | 0.0000 | |
| 312 | V | A | 1.0455 | |
| 313 | N | A | -0.4185 | |
| 314 | A | A | -0.8456 | |
| 315 | E | A | -2.0360 | |
| 316 | Q | A | -1.4414 | |
| 317 | A | A | 0.0000 | |
| 318 | M | A | -1.0705 | |
| 319 | P | A | -1.1302 | |
| 320 | L | A | -0.8871 | |
| 321 | A | A | 0.0000 | |
| 322 | Q | A | -1.5442 | |
| 323 | Q | A | -1.3174 | |
| 324 | L | A | 0.0000 | |
| 325 | N | A | -1.3219 | |
| 326 | S | A | -1.5987 | |
| 327 | L | A | 0.0000 | |
| 328 | N | A | 0.0000 | |
| 329 | S | A | -1.8816 | |
| 330 | E | A | -2.5288 | |
| 331 | R | A | 0.0000 | |
| 332 | R | A | -2.7411 | |
| 333 | G | A | -2.1426 | |
| 334 | I | A | -1.5533 | |
| 335 | E | A | 0.0000 | |
| 336 | A | A | -1.3643 | |
| 337 | E | A | -1.7067 | |
| 338 | M | A | 0.0000 | |
| 339 | R | A | -1.1888 | |
| 340 | V | A | 0.1048 | |
| 341 | G | A | -0.7554 | |
| 342 | A | A | 0.0000 | |
| 343 | E | A | -2.1651 | |
| 344 | A | A | -1.6536 | |
| 345 | Q | A | -1.7853 | |
| 346 | L | A | -1.4256 | |
| 347 | D | A | -2.7942 | |
| 348 | K | A | -2.5187 | |
| 349 | L | A | -0.9230 | |
| 350 | A | A | -0.7191 | |
| 351 | L | A | 0.0218 | |
| 352 | E | A | -1.3564 | |
| 353 | S | A | -0.7017 | |
| 354 | A | A | -0.6895 | |
| 355 | V | A | -0.1231 | |
| 356 | V | A | -0.3845 | |
| 357 | E | A | -2.4323 | |
| 358 | N | A | -2.2828 | |
| 359 | T | A | 0.0000 | |
| 360 | F | A | 0.0000 | |
| 361 | G | A | 0.0000 | |
| 362 | L | A | 0.0000 | |
| 363 | C | A | 0.0000 | |
| 364 | L | A | 0.0000 | |
| 365 | H | A | -0.8649 | |
| 366 | D | A | -1.3844 | |
| 367 | D | A | -1.9732 | |
| 368 | H | A | -1.6961 | |
| 369 | W | A | 0.0000 | |
| 370 | H | A | -0.7388 | |
| 371 | Q | A | -0.6414 | |
| 372 | G | A | 0.0000 | |
| 373 | V | A | 0.0000 | |
| 374 | I | A | 0.0000 | |
| 375 | G | A | -0.3132 | |
| 376 | I | A | -0.2992 | |
| 377 | L | A | 0.0000 | |
| 378 | A | A | 0.0000 | |
| 379 | G | A | -1.2350 | |
| 380 | R | A | -1.9719 | |
| 381 | I | A | 0.0000 | |
| 382 | K | A | -1.7215 | |
| 383 | E | A | -2.4869 | |
| 384 | A | A | -1.4054 | |
| 385 | T | A | -1.0194 | |
| 386 | Y | A | -1.3439 | |
| 387 | K | A | -0.9519 | |
| 388 | P | A | 0.0000 | |
| 389 | V | A | 0.0000 | |
| 390 | V | A | 0.0000 | |
| 391 | V | A | 0.0000 | |
| 392 | F | A | 0.0000 | |
| 393 | T | A | 0.0000 | |
| 394 | A | A | -2.2274 | |
| 395 | D | A | -2.4182 | |
| 396 | D | A | -3.0346 | |
| 397 | E | A | -3.1808 | |
| 398 | H | A | -2.9709 | |
| 399 | N | A | -2.5433 | |
| 400 | L | A | 0.0000 | |
| 401 | K | A | -1.2797 | |
| 402 | G | A | 0.0000 | |
| 403 | S | A | -0.2518 | |
| 404 | A | A | 0.0000 | |
| 405 | R | A | -0.8483 | |
| 406 | S | A | 0.0000 | |
| 407 | I | A | 0.0000 | |
| 408 | P | A | -0.4582 | |
| 409 | G | A | -0.3765 | |
| 410 | V | A | 0.0000 | |
| 411 | H | A | -0.7688 | |
| 412 | I | A | 0.0000 | |
| 413 | R | A | 0.0000 | |
| 414 | D | A | -1.9448 | |
| 415 | I | A | 0.0000 | |
| 416 | L | A | 0.0000 | |
| 417 | Q | A | -1.4101 | |
| 418 | N | A | -1.5287 | |
| 419 | I | A | 0.0000 | |
| 420 | V | A | -1.0348 | |
| 421 | A | A | -1.1130 | |
| 422 | R | A | -2.1532 | |
| 423 | H | A | -1.4373 | |
| 424 | P | A | -0.9893 | |
| 425 | G | A | -1.1045 | |
| 426 | M | A | 0.0000 | |
| 427 | I | A | 0.0000 | |
| 428 | S | A | -1.1449 | |
| 429 | R | A | -1.8036 | |
| 430 | F | A | -0.5556 | |
| 431 | G | A | -0.4686 | |
| 432 | G | A | -0.2178 | |
| 433 | H | A | -0.3888 | |
| 434 | A | A | -0.4354 | |
| 435 | M | A | 0.2926 | |
| 436 | A | A | -0.1401 | |
| 437 | A | A | 0.0000 | |
| 438 | G | A | -0.5002 | |
| 439 | L | A | 0.0000 | |
| 440 | T | A | -1.0692 | |
| 441 | L | A | 0.0000 | |
| 442 | P | A | -1.9884 | |
| 443 | R | A | -2.7328 | |
| 444 | E | A | -2.8206 | |
| 445 | E | A | -2.1528 | |
| 446 | L | A | 0.0000 | |
| 447 | E | A | -2.8860 | |
| 448 | P | A | -2.1440 | |
| 449 | F | A | 0.0000 | |
| 450 | R | A | -2.5112 | |
| 451 | D | A | -3.1015 | |
| 452 | A | A | -2.4005 | |
| 453 | F | A | 0.0000 | |
| 454 | N | A | -2.0198 | |
| 455 | E | A | -2.2118 | |
| 456 | A | A | -0.8424 | |
| 457 | V | A | 0.0000 | |
| 458 | K | A | -1.0441 | |
| 459 | V | A | 0.9289 | |
| 460 | V | A | 1.0327 | |
| 461 | L | A | -0.4814 | |
| 462 | N | A | -1.0245 | |
| 463 | G | A | -1.8146 | |
| 464 | R | A | -2.8414 | |
| 465 | H | A | -2.7472 | |
| 466 | S | A | -2.1257 | |
| 467 | E | A | -2.9965 | |
| 468 | R | A | -2.4349 | |
| 469 | E | A | -2.3003 | |
| 470 | F | A | -1.0245 | |
| 471 | L | A | -0.4897 | |
| 472 | T | A | 0.0000 | |
| 473 | D | A | 0.0000 | |
| 474 | G | A | 0.0000 | |
| 475 | A | A | -0.5912 | |
| 476 | L | A | 0.0000 | |
| 477 | N | A | -1.8629 | |
| 478 | N | A | -2.0316 | |
| 479 | S | A | -1.0689 | |
| 480 | E | A | -1.2132 | |
| 481 | R | A | 0.0000 | |
| 482 | T | A | -0.7753 | |
| 483 | L | A | -0.3919 | |
| 484 | E | A | -1.3429 | |
| 485 | N | A | -0.4925 | |
| 486 | A | A | 0.0000 | |
| 487 | L | A | 0.5432 | |
| 488 | L | A | 0.4995 | |
| 489 | L | A | 0.0000 | |
| 490 | V | A | 0.9547 | |
| 491 | N | A | -0.1890 | |
| 492 | V | A | 0.3999 | |
| 493 | A | A | 0.0000 | |
| 494 | P | A | 0.0000 | |
| 495 | W | A | 0.0000 | |
| 496 | G | A | -0.6069 | |
| 497 | Q | A | -0.6047 | |
| 498 | A | A | -0.4604 | |
| 499 | F | A | 0.0000 | |
| 500 | E | A | -1.0133 | |
| 501 | A | A | -0.2985 | |
| 502 | P | A | 0.0000 | |
| 503 | V | A | 0.0513 | |
| 504 | F | A | 0.0000 | |
| 505 | N | A | -0.5431 | |
| 506 | D | A | -0.6827 | |
| 507 | T | A | -0.6898 | |
| 508 | F | A | 0.0000 | |
| 509 | R | A | -2.4133 | |
| 510 | I | A | 0.0000 | |
| 511 | V | A | -1.0608 | |
| 512 | S | A | -1.2718 | |
| 513 | Q | A | -1.5407 | |
| 514 | K | A | -2.2308 | |
| 515 | S | A | -2.0725 | |
| 516 | V | A | -1.8565 | |
| 517 | G | A | -2.5662 | |
| 518 | E | A | -3.3196 | |
| 519 | E | A | -3.6851 | |
| 520 | K | A | -3.4012 | |
| 521 | L | A | -1.8798 | |
| 522 | H | A | -1.6084 | |
| 523 | L | A | 0.0000 | |
| 524 | K | A | -1.0769 | |
| 525 | L | A | 0.0000 | |
| 526 | L | A | -1.0883 | |
| 527 | L | A | 0.0000 | |
| 528 | E | A | -2.5361 | |
| 529 | A | A | 0.0000 | |
| 530 | Q | A | -2.9998 | |
| 531 | D | A | -2.9034 | |
| 532 | S | A | -2.7123 | |
| 533 | D | A | -3.1021 | |
| 534 | Q | A | -2.6540 | |
| 535 | R | A | -2.7364 | |
| 536 | I | A | 0.0000 | |
| 537 | D | A | -1.2074 | |
| 538 | A | A | 0.0000 | |
| 539 | I | A | -0.4690 | |
| 540 | A | A | 0.0000 | |
| 541 | F | A | 0.2125 | |
| 542 | R | A | -1.5360 | |
| 543 | Q | A | -0.9187 | |
| 544 | A | A | -0.9589 | |
| 545 | P | A | -0.9302 | |
| 546 | V | A | 0.0000 | |
| 547 | A | A | -0.7641 | |
| 548 | S | A | -1.3988 | |
| 549 | E | A | -2.2905 | |
| 550 | G | A | -1.7025 | |
| 551 | D | A | -1.3326 | |
| 552 | L | A | -0.7100 | |
| 553 | L | A | 0.0000 | |
| 554 | Q | A | -0.3246 | |
| 555 | V | A | 0.0000 | |
| 556 | V | A | 0.0000 | |
| 557 | Y | A | 0.0000 | |
| 558 | T | A | -0.3720 | |
| 559 | L | A | 0.0000 | |
| 560 | D | A | -0.2883 | |
| 561 | A | A | -0.2306 | |
| 562 | N | A | -0.8477 | |
| 563 | H | A | -1.2360 | |
| 564 | F | A | -0.3110 | |
| 565 | R | A | -2.2145 | |
| 566 | N | A | -2.5087 | |
| 567 | K | A | -2.3035 | |
| 568 | Y | A | -0.8209 | |
| 569 | T | A | -0.4309 | |
| 570 | L | A | -0.3502 | |
| 571 | Q | A | -0.5186 | |
| 572 | L | A | 0.0000 | |
| 573 | Q | A | -0.5691 | |
| 574 | V | A | 0.0000 | |
| 575 | Q | A | -0.9474 | |
| 576 | H | A | 0.0000 | |
| 577 | I | A | 0.0000 | |
| 578 | E | A | 0.0632 | |
| 579 | A | A | 0.1635 | |
| 580 | L | A | 0.8136 | |
| 581 | A | A | 0.4625 |
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 | -0.5122 | 4.0866 | View | CSV | PDB |
| 4.5 | -0.5803 | 4.0638 | View | CSV | PDB |
| 5.0 | -0.6667 | 4.0385 | View | CSV | PDB |
| 5.5 | -0.7579 | 4.0124 | View | CSV | PDB |
| 6.0 | -0.8403 | 3.986 | View | CSV | PDB |
| 6.5 | -0.9032 | 3.9596 | View | CSV | PDB |
| 7.0 | -0.9441 | 3.9333 | View | CSV | PDB |
| 7.5 | -0.9694 | 3.9075 | View | CSV | PDB |
| 8.0 | -0.9861 | 3.8832 | View | CSV | PDB |
| 8.5 | -0.9959 | 3.8627 | View | CSV | PDB |
| 9.0 | -0.9971 | 3.8487 | 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