| Chain sequence(s) |
A: MLSTRTAAVAASASPASPWKLGGRSEGGASCDGCRTYRNTLRRRAAPAKVRALPPRRVDAVAMVSNAETETEKEQEEAAAASEELPVMPWATSVASGYTLLRDPHHNKGLAFTEEERDGHYLRGLLPPAVLSQELQIKKFMNTLRQYQTPLQRYIAMMNLQETDERLFYKLLIDNVVELLPFVYTPTVGEACQKYGSIFGRPQGLYVSLKDKGKVLEVLRNWPHRNIQVICVTDGERILGLGDLGCQGMGIPVGKLALYTALGGVDPSVCLPITIDVGTNNEFLLNDEFYIGLRQKRATGEEYDELIEEFMSAVKQFYGEKVLIQFEDFANHNAFDLLEKYSKSHLVFNDDIQGTASVVLAGLLAALKMVGGTLAEQTYLFLGAGEAGTGIAELIALEISKQTNAPIEECRKKVWLVDSKGLIVDSRKGSLQPFKKPWAHEHEPLKTLYDAVQSIKPTVLIGTSGVGRTFTKEIIEAMSSFNERPIIFSLSNPTSHSECTAEQAYTWSQGRSIFASGSPFAPVEYEGKTFVPGQSNNAYIFPGLGLGLVISGAVRVHEDMLLAASKALADQATQDNFEKGSIFPPFTSIRKISAHIAAAVAGKAYELGLATRLPPPSDLVKYAENCMYTPVYRNYR
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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:09:08)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/5fa7162eb2348e8/tmp/folded.pdb (00:09:08)
[INFO] Main: Simulation completed successfully. (00:11:54)
|
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 | 1.7563 | |
| 2 | L | A | 1.9376 | |
| 3 | S | A | 0.3075 | |
| 4 | T | A | -0.7301 | |
| 5 | R | A | -1.9409 | |
| 6 | T | A | -0.9344 | |
| 7 | A | A | -0.0202 | |
| 8 | A | A | 0.7561 | |
| 9 | V | A | 1.8527 | |
| 10 | A | A | 0.9084 | |
| 11 | A | A | 0.3329 | |
| 12 | S | A | -0.1840 | |
| 13 | A | A | -0.2013 | |
| 14 | S | A | -0.3331 | |
| 15 | P | A | -0.3613 | |
| 16 | A | A | -0.2698 | |
| 17 | S | A | -0.1176 | |
| 18 | P | A | -0.1623 | |
| 19 | W | A | 0.5369 | |
| 20 | K | A | -0.5472 | |
| 21 | L | A | 0.6264 | |
| 22 | G | A | -0.6090 | |
| 23 | G | A | -1.2955 | |
| 24 | R | A | -2.6772 | |
| 25 | S | A | -2.2645 | |
| 26 | E | A | -2.6624 | |
| 27 | G | A | -1.6227 | |
| 28 | G | A | -0.9794 | |
| 29 | A | A | -0.2235 | |
| 30 | S | A | -0.4002 | |
| 31 | C | A | -0.3117 | |
| 32 | D | A | -1.7119 | |
| 33 | G | A | -1.2721 | |
| 34 | C | A | -0.6617 | |
| 35 | R | A | -1.6991 | |
| 36 | T | A | -0.7934 | |
| 37 | Y | A | -0.2939 | |
| 38 | R | A | -2.0522 | |
| 39 | N | A | -1.7859 | |
| 40 | T | A | -0.8795 | |
| 41 | L | A | -0.3125 | |
| 42 | R | A | -2.5735 | |
| 43 | R | A | -3.2694 | |
| 44 | R | A | -2.9766 | |
| 45 | A | A | -1.2917 | |
| 46 | A | A | -0.4561 | |
| 47 | P | A | -0.5987 | |
| 48 | A | A | -0.6160 | |
| 49 | K | A | -1.3331 | |
| 50 | V | A | 0.0513 | |
| 51 | R | A | -1.0482 | |
| 52 | A | A | 0.0908 | |
| 53 | L | A | 0.7605 | |
| 54 | P | A | -0.5382 | |
| 55 | P | A | -1.0924 | |
| 56 | R | A | -2.4966 | |
| 57 | R | A | -2.4532 | |
| 58 | V | A | -0.2727 | |
| 59 | D | A | -1.1153 | |
| 60 | A | A | 0.4473 | |
| 61 | V | A | 1.9893 | |
| 62 | A | A | 1.6599 | |
| 63 | M | A | 2.0595 | |
| 64 | V | A | 1.4368 | |
| 65 | S | A | -0.4988 | |
| 66 | N | A | -2.0387 | |
| 67 | A | A | -2.3416 | |
| 68 | E | A | -3.3808 | |
| 69 | T | A | -3.4231 | |
| 70 | E | A | -4.7762 | |
| 71 | T | A | -4.5802 | |
| 72 | E | A | -5.5938 | |
| 73 | K | A | -5.8675 | |
| 74 | E | A | -5.6643 | |
| 75 | Q | A | -4.9515 | |
| 76 | E | A | -5.0766 | |
| 77 | E | A | -4.5491 | |
| 78 | A | A | -3.2232 | |
| 79 | A | A | -2.6840 | |
| 80 | A | A | -2.4355 | |
| 81 | A | A | -1.8937 | |
| 82 | S | A | -1.9687 | |
| 83 | E | A | -2.5255 | |
| 84 | E | A | -2.2728 | |
| 85 | L | A | -0.7949 | |
| 86 | P | A | -0.0496 | |
| 87 | V | A | 1.3435 | |
| 88 | M | A | 0.9534 | |
| 89 | P | A | 0.8007 | |
| 90 | W | A | 1.0521 | |
| 91 | A | A | 0.3651 | |
| 92 | T | A | 0.4231 | |
| 93 | S | A | 0.6246 | |
| 94 | V | A | 1.6457 | |
| 95 | A | A | 0.7679 | |
| 96 | S | A | 0.7519 | |
| 97 | G | A | 0.3521 | |
| 98 | Y | A | 0.9170 | |
| 99 | T | A | -0.0352 | |
| 100 | L | A | 0.0000 | |
| 101 | L | A | 0.0000 | |
| 102 | R | A | -1.9440 | |
| 103 | D | A | -1.6014 | |
| 104 | P | A | -1.2992 | |
| 105 | H | A | -1.0656 | |
| 106 | H | A | -1.2660 | |
| 107 | N | A | 0.0000 | |
| 108 | K | A | 0.0000 | |
| 109 | G | A | -0.0239 | |
| 110 | L | A | 0.6774 | |
| 111 | A | A | 0.0000 | |
| 112 | F | A | 0.0000 | |
| 113 | T | A | -1.7955 | |
| 114 | E | A | -3.3269 | |
| 115 | E | A | -3.9159 | |
| 116 | E | A | 0.0000 | |
| 117 | R | A | 0.0000 | |
| 118 | D | A | -3.4223 | |
| 119 | G | A | -2.2808 | |
| 120 | H | A | 0.0000 | |
| 121 | Y | A | 0.0974 | |
| 122 | L | A | 0.0000 | |
| 123 | R | A | -2.5928 | |
| 124 | G | A | -1.1130 | |
| 125 | L | A | 0.2109 | |
| 126 | L | A | -0.0892 | |
| 127 | P | A | -0.2768 | |
| 128 | P | A | -0.5506 | |
| 129 | A | A | 0.2124 | |
| 130 | V | A | 0.7268 | |
| 131 | L | A | 0.5118 | |
| 132 | S | A | -0.3383 | |
| 133 | Q | A | -0.8222 | |
| 134 | E | A | -2.2312 | |
| 135 | L | A | -0.9818 | |
| 136 | Q | A | 0.0000 | |
| 137 | I | A | 0.0000 | |
| 138 | K | A | -2.9821 | |
| 139 | K | A | -2.8533 | |
| 140 | F | A | -1.7654 | |
| 141 | M | A | 0.0000 | |
| 142 | N | A | -2.9004 | |
| 143 | T | A | -1.9992 | |
| 144 | L | A | 0.0000 | |
| 145 | R | A | -2.5789 | |
| 146 | Q | A | -2.3435 | |
| 147 | Y | A | -1.3942 | |
| 148 | Q | A | -1.6452 | |
| 149 | T | A | -1.0052 | |
| 150 | P | A | -0.7316 | |
| 151 | L | A | -0.4317 | |
| 152 | Q | A | -0.5938 | |
| 153 | R | A | -0.8385 | |
| 154 | Y | A | 0.0000 | |
| 155 | I | A | 0.1703 | |
| 156 | A | A | -0.0957 | |
| 157 | M | A | 0.0000 | |
| 158 | M | A | 0.0000 | |
| 159 | N | A | -1.2018 | |
| 160 | L | A | 0.0000 | |
| 161 | Q | A | 0.0000 | |
| 162 | E | A | -1.4637 | |
| 163 | T | A | -1.2934 | |
| 164 | D | A | 0.0000 | |
| 165 | E | A | -0.8175 | |
| 166 | R | A | -0.4228 | |
| 167 | L | A | 0.0000 | |
| 168 | F | A | 0.0000 | |
| 169 | Y | A | 0.0000 | |
| 170 | K | A | -0.8487 | |
| 171 | L | A | 0.0000 | |
| 172 | L | A | 0.0000 | |
| 173 | I | A | -0.4672 | |
| 174 | D | A | -1.8366 | |
| 175 | N | A | -0.6232 | |
| 176 | V | A | 0.0000 | |
| 177 | V | A | 1.2662 | |
| 178 | E | A | 0.0215 | |
| 179 | L | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | P | A | 0.0782 | |
| 182 | F | A | 0.0182 | |
| 183 | V | A | 0.0000 | |
| 184 | Y | A | 0.0000 | |
| 185 | T | A | -0.3994 | |
| 186 | P | A | -0.6227 | |
| 187 | T | A | 0.0000 | |
| 188 | V | A | 0.0000 | |
| 189 | G | A | 0.0000 | |
| 190 | E | A | -1.4559 | |
| 191 | A | A | 0.0000 | |
| 192 | C | A | 0.0000 | |
| 193 | Q | A | -1.2315 | |
| 194 | K | A | -0.8545 | |
| 195 | Y | A | 0.0000 | |
| 196 | G | A | 0.5644 | |
| 197 | S | A | 0.2898 | |
| 198 | I | A | 0.5477 | |
| 199 | F | A | 0.8324 | |
| 200 | G | A | -0.7352 | |
| 201 | R | A | -1.6628 | |
| 202 | P | A | -1.0165 | |
| 203 | Q | A | -0.5348 | |
| 204 | G | A | -0.0147 | |
| 205 | L | A | 0.1227 | |
| 206 | Y | A | 0.3871 | |
| 207 | V | A | 0.0000 | |
| 208 | S | A | -0.7617 | |
| 209 | L | A | -1.6771 | |
| 210 | K | A | -2.2332 | |
| 211 | D | A | -2.0707 | |
| 212 | K | A | -2.7206 | |
| 213 | G | A | -2.1375 | |
| 214 | K | A | -2.2110 | |
| 215 | V | A | 0.0000 | |
| 216 | L | A | -1.2852 | |
| 217 | E | A | -1.4941 | |
| 218 | V | A | -0.8927 | |
| 219 | L | A | 0.0000 | |
| 220 | R | A | 0.0000 | |
| 221 | N | A | -1.5083 | |
| 222 | W | A | -0.9009 | |
| 223 | P | A | -0.9146 | |
| 224 | H | A | -1.3785 | |
| 225 | R | A | -1.9340 | |
| 226 | N | A | -1.8619 | |
| 227 | I | A | 0.0000 | |
| 228 | Q | A | -0.9269 | |
| 229 | V | A | 0.0000 | |
| 230 | I | A | 0.0000 | |
| 231 | C | A | 0.0000 | |
| 232 | V | A | 0.0000 | |
| 233 | T | A | 0.0000 | |
| 234 | D | A | 0.0000 | |
| 235 | G | A | 0.0000 | |
| 236 | E | A | -0.7718 | |
| 237 | R | A | -0.5912 | |
| 238 | I | A | 0.0000 | |
| 239 | L | A | -0.2330 | |
| 240 | G | A | -0.4064 | |
| 241 | L | A | -0.2076 | |
| 242 | G | A | -0.4793 | |
| 243 | D | A | -0.9766 | |
| 244 | L | A | 0.0000 | |
| 245 | G | A | 0.0000 | |
| 246 | C | A | 0.0000 | |
| 247 | Q | A | 0.0000 | |
| 248 | G | A | 0.0000 | |
| 249 | M | A | 0.0000 | |
| 250 | G | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | P | A | 0.0000 | |
| 253 | V | A | 0.0000 | |
| 254 | G | A | 0.0000 | |
| 255 | K | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | A | A | 0.0000 | |
| 258 | L | A | 0.0000 | |
| 259 | Y | A | 0.0000 | |
| 260 | T | A | 0.0000 | |
| 261 | A | A | 0.0000 | |
| 262 | L | A | 0.0000 | |
| 263 | G | A | 0.0000 | |
| 264 | G | A | 0.0000 | |
| 265 | V | A | 0.0000 | |
| 266 | D | A | -0.7027 | |
| 267 | P | A | 0.0000 | |
| 268 | S | A | -0.6959 | |
| 269 | V | A | -0.6689 | |
| 270 | C | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | P | A | 0.0144 | |
| 273 | I | A | 0.0000 | |
| 274 | T | A | 0.0000 | |
| 275 | I | A | 0.0000 | |
| 276 | D | A | 0.0000 | |
| 277 | V | A | 0.0000 | |
| 278 | G | A | 0.0000 | |
| 279 | T | A | 0.0000 | |
| 280 | N | A | -2.1526 | |
| 281 | N | A | -1.4945 | |
| 282 | E | A | -1.9957 | |
| 283 | F | A | 0.2585 | |
| 284 | L | A | 0.0000 | |
| 285 | L | A | -1.6286 | |
| 286 | N | A | -1.6400 | |
| 287 | D | A | -1.0091 | |
| 288 | E | A | -1.2286 | |
| 289 | F | A | 0.9951 | |
| 290 | Y | A | 0.0000 | |
| 291 | I | A | 0.8563 | |
| 292 | G | A | 0.1597 | |
| 293 | L | A | -1.1054 | |
| 294 | R | A | -2.6399 | |
| 295 | Q | A | -2.4967 | |
| 296 | K | A | -2.9158 | |
| 297 | R | A | -1.8139 | |
| 298 | A | A | -1.6277 | |
| 299 | T | A | -1.5852 | |
| 300 | G | A | -2.3290 | |
| 301 | E | A | -3.8463 | |
| 302 | E | A | -3.9087 | |
| 303 | Y | A | 0.0000 | |
| 304 | D | A | -4.1094 | |
| 305 | E | A | -4.5714 | |
| 306 | L | A | 0.0000 | |
| 307 | I | A | 0.0000 | |
| 308 | E | A | -3.2203 | |
| 309 | E | A | -2.5551 | |
| 310 | F | A | 0.0000 | |
| 311 | M | A | 0.0000 | |
| 312 | S | A | -1.3915 | |
| 313 | A | A | 0.0000 | |
| 314 | V | A | 0.0000 | |
| 315 | K | A | -1.9889 | |
| 316 | Q | A | -1.7658 | |
| 317 | F | A | 0.0000 | |
| 318 | Y | A | -1.4465 | |
| 319 | G | A | -1.8834 | |
| 320 | E | A | -2.5247 | |
| 321 | K | A | -1.5616 | |
| 322 | V | A | 0.0000 | |
| 323 | L | A | 0.0000 | |
| 324 | I | A | 0.0000 | |
| 325 | Q | A | 0.0000 | |
| 326 | F | A | 0.0000 | |
| 327 | E | A | 0.0000 | |
| 328 | D | A | 0.0000 | |
| 329 | F | A | 0.0000 | |
| 330 | A | A | 0.0000 | |
| 331 | N | A | -1.7186 | |
| 332 | H | A | -1.8824 | |
| 333 | N | A | -1.7987 | |
| 334 | A | A | 0.0000 | |
| 335 | F | A | -1.6746 | |
| 336 | D | A | -2.9685 | |
| 337 | L | A | 0.0000 | |
| 338 | L | A | -1.8153 | |
| 339 | E | A | -3.2295 | |
| 340 | K | A | -3.1328 | |
| 341 | Y | A | 0.0000 | |
| 342 | S | A | -1.8591 | |
| 343 | K | A | -2.4813 | |
| 344 | S | A | -1.7266 | |
| 345 | H | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | V | A | 0.0000 | |
| 348 | F | A | 0.0000 | |
| 349 | N | A | 0.0000 | |
| 350 | D | A | 0.0000 | |
| 351 | D | A | -0.5068 | |
| 352 | I | A | 0.0000 | |
| 353 | Q | A | -0.4955 | |
| 354 | G | A | 0.0000 | |
| 355 | T | A | -0.2370 | |
| 356 | A | A | 0.0000 | |
| 357 | S | A | 0.0000 | |
| 358 | V | A | 0.0000 | |
| 359 | V | A | 0.0000 | |
| 360 | L | A | 0.0000 | |
| 361 | A | A | 0.0000 | |
| 362 | G | A | 0.0000 | |
| 363 | L | A | 0.0000 | |
| 364 | L | A | -0.7399 | |
| 365 | A | A | 0.0000 | |
| 366 | A | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | K | A | -1.7222 | |
| 369 | M | A | -0.7798 | |
| 370 | V | A | -0.3433 | |
| 371 | G | A | -0.8241 | |
| 372 | G | A | -1.2298 | |
| 373 | T | A | -1.2234 | |
| 374 | L | A | 0.0000 | |
| 375 | A | A | -1.2770 | |
| 376 | E | A | -2.0902 | |
| 377 | Q | A | -1.2305 | |
| 378 | T | A | -1.2248 | |
| 379 | Y | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | F | A | 0.0000 | |
| 382 | L | A | 0.2037 | |
| 383 | G | A | -0.0043 | |
| 384 | A | A | 0.0000 | |
| 385 | G | A | -0.6714 | |
| 386 | E | A | -0.6015 | |
| 387 | A | A | -0.4152 | |
| 388 | G | A | 0.0000 | |
| 389 | T | A | 0.0000 | |
| 390 | G | A | -0.3450 | |
| 391 | I | A | 0.0000 | |
| 392 | A | A | 0.0000 | |
| 393 | E | A | -0.4599 | |
| 394 | L | A | 0.0000 | |
| 395 | I | A | 0.0000 | |
| 396 | A | A | 0.0000 | |
| 397 | L | A | -0.9233 | |
| 398 | E | A | 0.0000 | |
| 399 | I | A | 0.0000 | |
| 400 | S | A | -1.8742 | |
| 401 | K | A | -2.3467 | |
| 402 | Q | A | -2.0684 | |
| 403 | T | A | -1.5941 | |
| 404 | N | A | -2.0325 | |
| 405 | A | A | -1.7400 | |
| 406 | P | A | -1.6264 | |
| 407 | I | A | -1.7371 | |
| 408 | E | A | -2.9271 | |
| 409 | E | A | -3.1963 | |
| 410 | C | A | 0.0000 | |
| 411 | R | A | -2.3610 | |
| 412 | K | A | -3.2178 | |
| 413 | K | A | -2.0410 | |
| 414 | V | A | 0.0000 | |
| 415 | W | A | -0.3362 | |
| 416 | L | A | 0.0000 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -1.1327 | |
| 419 | S | A | -1.3750 | |
| 420 | K | A | -2.3300 | |
| 421 | G | A | 0.0000 | |
| 422 | L | A | 0.0000 | |
| 423 | I | A | 0.0000 | |
| 424 | V | A | 0.0000 | |
| 425 | D | A | -2.8641 | |
| 426 | S | A | -1.9572 | |
| 427 | R | A | -1.5866 | |
| 428 | K | A | -1.9249 | |
| 429 | G | A | -1.4238 | |
| 430 | S | A | -1.0813 | |
| 431 | L | A | 0.0000 | |
| 432 | Q | A | -1.4958 | |
| 433 | P | A | -1.0150 | |
| 434 | F | A | -0.4151 | |
| 435 | K | A | -0.9336 | |
| 436 | K | A | -1.5337 | |
| 437 | P | A | -1.2503 | |
| 438 | W | A | 0.0000 | |
| 439 | A | A | 0.0000 | |
| 440 | H | A | -2.4131 | |
| 441 | E | A | -3.0517 | |
| 442 | H | A | -2.2916 | |
| 443 | E | A | -2.7527 | |
| 444 | P | A | -2.2671 | |
| 445 | L | A | -1.7356 | |
| 446 | K | A | -2.5232 | |
| 447 | T | A | -1.3678 | |
| 448 | L | A | 0.0000 | |
| 449 | Y | A | -0.8494 | |
| 450 | D | A | -1.8085 | |
| 451 | A | A | 0.0000 | |
| 452 | V | A | 0.0000 | |
| 453 | Q | A | -1.6412 | |
| 454 | S | A | -1.4102 | |
| 455 | I | A | -1.1167 | |
| 456 | K | A | -1.9627 | |
| 457 | P | A | 0.0000 | |
| 458 | T | A | -0.9244 | |
| 459 | V | A | 0.0000 | |
| 460 | L | A | 0.0000 | |
| 461 | I | A | 0.0000 | |
| 462 | G | A | 0.0000 | |
| 463 | T | A | -0.0795 | |
| 464 | S | A | 0.1253 | |
| 465 | G | A | 0.0174 | |
| 466 | V | A | 0.7975 | |
| 467 | G | A | -0.6455 | |
| 468 | R | A | -1.7897 | |
| 469 | T | A | -0.6693 | |
| 470 | F | A | 0.0000 | |
| 471 | T | A | -1.7360 | |
| 472 | K | A | -2.5478 | |
| 473 | E | A | -2.5329 | |
| 474 | I | A | 0.0000 | |
| 475 | I | A | 0.0000 | |
| 476 | E | A | -2.3520 | |
| 477 | A | A | -1.5905 | |
| 478 | M | A | 0.0000 | |
| 479 | S | A | 0.0000 | |
| 480 | S | A | -0.9412 | |
| 481 | F | A | -0.6996 | |
| 482 | N | A | -1.4471 | |
| 483 | E | A | -2.1366 | |
| 484 | R | A | -1.6068 | |
| 485 | P | A | 0.0000 | |
| 486 | I | A | 0.0000 | |
| 487 | I | A | 0.0000 | |
| 488 | F | A | 0.0000 | |
| 489 | S | A | 0.0000 | |
| 490 | L | A | 0.0000 | |
| 491 | S | A | 0.0000 | |
| 492 | N | A | -1.1494 | |
| 493 | P | A | -1.0211 | |
| 494 | T | A | -0.6652 | |
| 495 | S | A | -0.7325 | |
| 496 | H | A | -0.8188 | |
| 497 | S | A | 0.0000 | |
| 498 | E | A | 0.0000 | |
| 499 | C | A | 0.0000 | |
| 500 | T | A | -0.8730 | |
| 501 | A | A | 0.0000 | |
| 502 | E | A | -1.6487 | |
| 503 | Q | A | -1.3523 | |
| 504 | A | A | 0.0000 | |
| 505 | Y | A | 0.0000 | |
| 506 | T | A | -1.5554 | |
| 507 | W | A | -1.5125 | |
| 508 | S | A | 0.0000 | |
| 509 | Q | A | -1.7673 | |
| 510 | G | A | -1.7240 | |
| 511 | R | A | -1.5091 | |
| 512 | S | A | 0.0000 | |
| 513 | I | A | 0.0000 | |
| 514 | F | A | 0.0000 | |
| 515 | A | A | 0.0000 | |
| 516 | S | A | 0.0000 | |
| 517 | G | A | 0.0000 | |
| 518 | S | A | 0.0000 | |
| 519 | P | A | -0.3094 | |
| 520 | F | A | -0.0259 | |
| 521 | A | A | -0.2573 | |
| 522 | P | A | -0.6948 | |
| 523 | V | A | 0.0000 | |
| 524 | E | A | -2.7673 | |
| 525 | Y | A | -2.4434 | |
| 526 | E | A | -2.8528 | |
| 527 | G | A | -2.2518 | |
| 528 | K | A | -2.6517 | |
| 529 | T | A | -1.9986 | |
| 530 | F | A | 0.0000 | |
| 531 | V | A | -0.4673 | |
| 532 | P | A | -0.1760 | |
| 533 | G | A | 0.0000 | |
| 534 | Q | A | -0.2035 | |
| 535 | S | A | 0.0000 | |
| 536 | N | A | 0.0000 | |
| 537 | N | A | -0.2606 | |
| 538 | A | A | 0.0000 | |
| 539 | Y | A | 0.0000 | |
| 540 | I | A | 0.0000 | |
| 541 | F | A | 0.0000 | |
| 542 | P | A | 0.0000 | |
| 543 | G | A | 0.0000 | |
| 544 | L | A | 0.0000 | |
| 545 | G | A | 0.0000 | |
| 546 | L | A | 0.0000 | |
| 547 | G | A | 0.0000 | |
| 548 | L | A | 0.0000 | |
| 549 | V | A | 0.0119 | |
| 550 | I | A | 0.0000 | |
| 551 | S | A | 0.0000 | |
| 552 | G | A | 0.0000 | |
| 553 | A | A | 0.0000 | |
| 554 | V | A | -0.5603 | |
| 555 | R | A | -1.0177 | |
| 556 | V | A | -0.6322 | |
| 557 | H | A | -1.0641 | |
| 558 | E | A | -1.5006 | |
| 559 | D | A | -1.0564 | |
| 560 | M | A | 0.0000 | |
| 561 | L | A | 0.0000 | |
| 562 | L | A | 0.0000 | |
| 563 | A | A | -0.7321 | |
| 564 | A | A | 0.0000 | |
| 565 | S | A | 0.0000 | |
| 566 | K | A | -1.5825 | |
| 567 | A | A | -1.2177 | |
| 568 | L | A | 0.0000 | |
| 569 | A | A | 0.0000 | |
| 570 | D | A | -2.2859 | |
| 571 | Q | A | 0.0000 | |
| 572 | A | A | 0.0000 | |
| 573 | T | A | -1.8694 | |
| 574 | Q | A | -2.7998 | |
| 575 | D | A | -3.2320 | |
| 576 | N | A | -2.1358 | |
| 577 | F | A | -2.0766 | |
| 578 | E | A | -3.2102 | |
| 579 | K | A | -2.5053 | |
| 580 | G | A | 0.0000 | |
| 581 | S | A | -0.9263 | |
| 582 | I | A | 0.0000 | |
| 583 | F | A | 0.0000 | |
| 584 | P | A | 0.0000 | |
| 585 | P | A | 0.0727 | |
| 586 | F | A | 0.3348 | |
| 587 | T | A | -0.1404 | |
| 588 | S | A | -0.5512 | |
| 589 | I | A | 0.0000 | |
| 590 | R | A | -1.1363 | |
| 591 | K | A | -1.7092 | |
| 592 | I | A | 0.0000 | |
| 593 | S | A | 0.0000 | |
| 594 | A | A | 0.0000 | |
| 595 | H | A | -1.1929 | |
| 596 | I | A | 0.0000 | |
| 597 | A | A | 0.0000 | |
| 598 | A | A | 0.0000 | |
| 599 | A | A | -0.2546 | |
| 600 | V | A | 0.0000 | |
| 601 | A | A | 0.0000 | |
| 602 | G | A | -0.7407 | |
| 603 | K | A | -1.1766 | |
| 604 | A | A | 0.0000 | |
| 605 | Y | A | -0.7766 | |
| 606 | E | A | -1.7895 | |
| 607 | L | A | -0.6639 | |
| 608 | G | A | -0.6118 | |
| 609 | L | A | -0.2915 | |
| 610 | A | A | -0.2459 | |
| 611 | T | A | -0.0274 | |
| 612 | R | A | -0.1715 | |
| 613 | L | A | 0.9235 | |
| 614 | P | A | 0.3429 | |
| 615 | P | A | -0.1056 | |
| 616 | P | A | -0.5099 | |
| 617 | S | A | -0.8158 | |
| 618 | D | A | -1.2623 | |
| 619 | L | A | -0.9374 | |
| 620 | V | A | -1.2781 | |
| 621 | K | A | -2.5164 | |
| 622 | Y | A | -1.4746 | |
| 623 | A | A | 0.0000 | |
| 624 | E | A | -2.9133 | |
| 625 | N | A | -2.2017 | |
| 626 | C | A | -1.0001 | |
| 627 | M | A | -0.8978 | |
| 628 | Y | A | 0.0000 | |
| 629 | T | A | 0.0359 | |
| 630 | P | A | 0.0000 | |
| 631 | V | A | 0.8732 | |
| 632 | Y | A | -0.4367 | |
| 633 | R | A | -2.0013 | |
| 634 | N | A | -2.4576 | |
| 635 | Y | A | -2.1263 | |
| 636 | R | A | -2.7084 |
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 | -0.5357 | 4.2725 | View | CSV | PDB |
| 4.5 | -0.6004 | 4.2725 | View | CSV | PDB |
| 5.0 | -0.6852 | 4.2725 | View | CSV | PDB |
| 5.5 | -0.7747 | 4.2725 | View | CSV | PDB |
| 6.0 | -0.8514 | 4.2725 | View | CSV | PDB |
| 6.5 | -0.8998 | 4.2725 | View | CSV | PDB |
| 7.0 | -0.9141 | 4.2725 | View | CSV | PDB |
| 7.5 | -0.9017 | 4.2725 | View | CSV | PDB |
| 8.0 | -0.8741 | 4.2725 | View | CSV | PDB |
| 8.5 | -0.8383 | 4.2725 | View | CSV | PDB |
| 9.0 | -0.7963 | 4.2725 | 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