| Chain sequence(s) |
A: APTATLANGDTITGLNAIINEAFLGIPFAEPPVGNLRFKDPVPYSGSLDGQKFTSYGPSCMQQNPEGTYEENLPKAALDLVMQSKVFEAVSPSSEDCLTINVVRPPGTKAGANLPVMLWIFGGGFEVGGTSTFPPAQMITKSIAMGKPIIHVSVNYRVSSWGFLAGDEIKAEGSANAGLKDQRLGMQWVADNIAAFGGDPTKVTIFGESAGSMSVMCHILWNDGDNTYKGKPLFRAGIMQSGAMVPSDAVDGIYGNEIFDLLASNAGCGSASDKLACLRGVSSDTLEDATNNTPGFLAYSSLRLSYLPRPDGVNITDDMYALVREGKYANIPVIIGDQNDEGTFFGTSSLNVTTDAQAREYFKQSFVHASDAEIDTLMTAYPGDITQGSPFDTGILNALTPQFKRISAVLGDLGFTLARRYFLNHYTGGTKYSFLSKQLSGLPVLGTFHSNDIVFQDYLLGSGSLIYNNAFIAFATDLDPNTAGLLVKWPEYTSSSQSGNNLMMINALGLYTGKDNFRTAGYDALFSNPPSFFV
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 (00:06:55)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/49eaada7c320d0f/tmp/folded.pdb (00:06:55)
[INFO] Main: Simulation completed successfully. (00:14:53)
|
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 | A | A | -0.2310 | |
| 2 | P | A | 0.0000 | |
| 3 | T | A | -0.6206 | |
| 4 | A | A | 0.0000 | |
| 5 | T | A | -0.7560 | |
| 6 | L | A | 0.0000 | |
| 7 | A | A | -0.8658 | |
| 8 | N | A | -1.8493 | |
| 9 | G | A | -1.5624 | |
| 10 | D | A | -1.8914 | |
| 11 | T | A | -1.5702 | |
| 12 | I | A | 0.0000 | |
| 13 | T | A | -1.2346 | |
| 14 | G | A | 0.0000 | |
| 15 | L | A | 0.0105 | |
| 16 | N | A | 0.2253 | |
| 17 | A | A | 1.1940 | |
| 18 | I | A | 2.4750 | |
| 19 | I | A | 2.2320 | |
| 20 | N | A | 0.0000 | |
| 21 | E | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | F | A | 0.0000 | |
| 24 | L | A | 0.0000 | |
| 25 | G | A | -0.2771 | |
| 26 | I | A | 0.0000 | |
| 27 | P | A | -0.4649 | |
| 28 | F | A | 0.0000 | |
| 29 | A | A | 0.0000 | |
| 30 | E | A | -1.1136 | |
| 31 | P | A | -0.7626 | |
| 32 | P | A | 0.0000 | |
| 33 | V | A | 0.0912 | |
| 34 | G | A | -0.3761 | |
| 35 | N | A | -1.0142 | |
| 36 | L | A | -0.5612 | |
| 37 | R | A | 0.0000 | |
| 38 | F | A | 0.0000 | |
| 39 | K | A | -1.4520 | |
| 40 | D | A | -1.7171 | |
| 41 | P | A | -0.5187 | |
| 42 | V | A | 0.7442 | |
| 43 | P | A | 0.3349 | |
| 44 | Y | A | 0.1360 | |
| 45 | S | A | -0.3775 | |
| 46 | G | A | -0.7968 | |
| 47 | S | A | -1.2722 | |
| 48 | L | A | -1.7620 | |
| 49 | D | A | -2.8739 | |
| 50 | G | A | -2.1802 | |
| 51 | Q | A | -2.5086 | |
| 52 | K | A | -2.4163 | |
| 53 | F | A | 0.0000 | |
| 54 | T | A | -0.6661 | |
| 55 | S | A | -0.3315 | |
| 56 | Y | A | 0.2336 | |
| 57 | G | A | -0.3386 | |
| 58 | P | A | -0.7523 | |
| 59 | S | A | -0.5325 | |
| 60 | C | A | 0.0000 | |
| 61 | M | A | 0.0000 | |
| 62 | Q | A | -0.0715 | |
| 63 | Q | A | 0.0000 | |
| 64 | N | A | 0.0000 | |
| 65 | P | A | 0.4888 | |
| 66 | E | A | 0.1587 | |
| 67 | G | A | 0.0000 | |
| 68 | T | A | -0.7203 | |
| 69 | Y | A | -0.5467 | |
| 70 | E | A | -2.3226 | |
| 71 | E | A | -2.4438 | |
| 72 | N | A | -1.1604 | |
| 73 | L | A | 0.6818 | |
| 74 | P | A | -0.0309 | |
| 75 | K | A | 0.0000 | |
| 76 | A | A | 0.3675 | |
| 77 | A | A | 1.0146 | |
| 78 | L | A | 1.0460 | |
| 79 | D | A | 0.3108 | |
| 80 | L | A | 1.7180 | |
| 81 | V | A | 2.3012 | |
| 82 | M | A | 0.6969 | |
| 83 | Q | A | -0.1992 | |
| 84 | S | A | 0.0459 | |
| 85 | K | A | -0.8917 | |
| 86 | V | A | 1.1874 | |
| 87 | F | A | 0.8619 | |
| 88 | E | A | -1.2697 | |
| 89 | A | A | 0.3299 | |
| 90 | V | A | 1.5834 | |
| 91 | S | A | 0.3110 | |
| 92 | P | A | -0.5614 | |
| 93 | S | A | -0.7845 | |
| 94 | S | A | -0.6925 | |
| 95 | E | A | 0.0000 | |
| 96 | D | A | -1.4223 | |
| 97 | C | A | 0.0000 | |
| 98 | L | A | 0.0000 | |
| 99 | T | A | -0.3615 | |
| 100 | I | A | 0.0000 | |
| 101 | N | A | 0.0000 | |
| 102 | V | A | 0.0000 | |
| 103 | V | A | 0.0000 | |
| 104 | R | A | 0.0000 | |
| 105 | P | A | 0.0000 | |
| 106 | P | A | 0.2149 | |
| 107 | G | A | -0.6609 | |
| 108 | T | A | -1.2352 | |
| 109 | K | A | -2.0540 | |
| 110 | A | A | -1.1605 | |
| 111 | G | A | -1.2152 | |
| 112 | A | A | -1.2147 | |
| 113 | N | A | -1.5862 | |
| 114 | L | A | -0.6153 | |
| 115 | P | A | 0.0000 | |
| 116 | V | A | 0.0000 | |
| 117 | M | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | W | A | 0.1925 | |
| 120 | I | A | 0.0000 | |
| 121 | F | A | 0.0000 | |
| 122 | G | A | 0.0000 | |
| 123 | G | A | -0.3811 | |
| 124 | G | A | -0.2417 | |
| 125 | F | A | 0.0000 | |
| 126 | E | A | 0.0560 | |
| 127 | V | A | 0.4809 | |
| 128 | G | A | -0.0516 | |
| 129 | G | A | 0.0019 | |
| 130 | T | A | 0.0942 | |
| 131 | S | A | 0.2189 | |
| 132 | T | A | 0.3464 | |
| 133 | F | A | 0.7292 | |
| 134 | P | A | 0.0758 | |
| 135 | P | A | 0.0000 | |
| 136 | A | A | -0.0978 | |
| 137 | Q | A | -0.6373 | |
| 138 | M | A | -0.5631 | |
| 139 | I | A | 0.0000 | |
| 140 | T | A | 0.1239 | |
| 141 | K | A | -0.7143 | |
| 142 | S | A | 0.0000 | |
| 143 | I | A | 0.4325 | |
| 144 | A | A | 0.0343 | |
| 145 | M | A | -0.1477 | |
| 146 | G | A | -0.3106 | |
| 147 | K | A | -0.5123 | |
| 148 | P | A | -0.1418 | |
| 149 | I | A | 0.0000 | |
| 150 | I | A | 0.0000 | |
| 151 | H | A | 0.0000 | |
| 152 | V | A | 0.0000 | |
| 153 | S | A | 0.0071 | |
| 154 | V | A | 0.0000 | |
| 155 | N | A | 0.0000 | |
| 156 | Y | A | 0.0000 | |
| 157 | R | A | 0.0000 | |
| 158 | V | A | 0.0000 | |
| 159 | S | A | 0.0000 | |
| 160 | S | A | 0.0000 | |
| 161 | W | A | 0.0000 | |
| 162 | G | A | 0.0000 | |
| 163 | F | A | 0.0000 | |
| 164 | L | A | 0.0000 | |
| 165 | A | A | 0.0000 | |
| 166 | G | A | 0.0000 | |
| 167 | D | A | -2.9526 | |
| 168 | E | A | -3.0177 | |
| 169 | I | A | 0.0000 | |
| 170 | K | A | -2.2395 | |
| 171 | A | A | -1.7591 | |
| 172 | E | A | -1.6836 | |
| 173 | G | A | -1.2220 | |
| 174 | S | A | 0.0000 | |
| 175 | A | A | 0.0000 | |
| 176 | N | A | 0.0000 | |
| 177 | A | A | 0.0000 | |
| 178 | G | A | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | K | A | -0.6784 | |
| 181 | D | A | 0.0000 | |
| 182 | Q | A | 0.0000 | |
| 183 | R | A | -0.4497 | |
| 184 | L | A | -0.0602 | |
| 185 | G | A | 0.0000 | |
| 186 | M | A | 0.0000 | |
| 187 | Q | A | -0.5838 | |
| 188 | W | A | -0.2312 | |
| 189 | V | A | 0.0000 | |
| 190 | A | A | -0.7775 | |
| 191 | D | A | -0.8797 | |
| 192 | N | A | 0.0000 | |
| 193 | I | A | 0.0000 | |
| 194 | A | A | -0.7352 | |
| 195 | A | A | -0.5873 | |
| 196 | F | A | 0.0000 | |
| 197 | G | A | 0.0000 | |
| 198 | G | A | 0.0000 | |
| 199 | D | A | -0.9048 | |
| 200 | P | A | -0.9579 | |
| 201 | T | A | -0.9773 | |
| 202 | K | A | -1.0387 | |
| 203 | V | A | 0.0000 | |
| 204 | T | A | 0.0000 | |
| 205 | I | A | 0.0000 | |
| 206 | F | A | 0.1932 | |
| 207 | G | A | 0.0000 | |
| 208 | E | A | -0.3794 | |
| 209 | S | A | -0.3527 | |
| 210 | A | A | 0.0000 | |
| 211 | G | A | 0.0000 | |
| 212 | S | A | 0.0000 | |
| 213 | M | A | 0.0000 | |
| 214 | S | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | M | A | 0.0000 | |
| 217 | C | A | 0.0000 | |
| 218 | H | A | 0.0000 | |
| 219 | I | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | W | A | 0.0000 | |
| 222 | N | A | -2.2829 | |
| 223 | D | A | -3.0552 | |
| 224 | G | A | -2.5074 | |
| 225 | D | A | -2.6813 | |
| 226 | N | A | -1.8234 | |
| 227 | T | A | -1.6541 | |
| 228 | Y | A | -1.5759 | |
| 229 | K | A | -2.3698 | |
| 230 | G | A | -1.9420 | |
| 231 | K | A | -2.2211 | |
| 232 | P | A | -1.7669 | |
| 233 | L | A | 0.0000 | |
| 234 | F | A | 0.0000 | |
| 235 | R | A | -1.3878 | |
| 236 | A | A | 0.0000 | |
| 237 | G | A | 0.0000 | |
| 238 | I | A | 0.0000 | |
| 239 | M | A | 0.0000 | |
| 240 | Q | A | 0.0000 | |
| 241 | S | A | 0.0000 | |
| 242 | G | A | 0.0000 | |
| 243 | A | A | 0.0000 | |
| 244 | M | A | 0.0000 | |
| 245 | V | A | 0.0000 | |
| 246 | P | A | 0.0000 | |
| 247 | S | A | 0.0000 | |
| 248 | D | A | -0.3642 | |
| 249 | A | A | -0.4609 | |
| 250 | V | A | 0.0000 | |
| 251 | D | A | -1.7765 | |
| 252 | G | A | 0.0078 | |
| 253 | I | A | 1.2895 | |
| 254 | Y | A | 0.6996 | |
| 255 | G | A | -0.4723 | |
| 256 | N | A | -1.3371 | |
| 257 | E | A | -1.5824 | |
| 258 | I | A | -0.6326 | |
| 259 | F | A | 0.0000 | |
| 260 | D | A | -2.0454 | |
| 261 | L | A | -0.8305 | |
| 262 | L | A | 0.0000 | |
| 263 | A | A | 0.0000 | |
| 264 | S | A | -0.9731 | |
| 265 | N | A | -0.8715 | |
| 266 | A | A | -0.9897 | |
| 267 | G | A | -0.7364 | |
| 268 | C | A | 0.0000 | |
| 269 | G | A | -1.2611 | |
| 270 | S | A | -0.9774 | |
| 271 | A | A | -1.0296 | |
| 272 | S | A | -1.2862 | |
| 273 | D | A | -2.3115 | |
| 274 | K | A | -2.0559 | |
| 275 | L | A | 0.0000 | |
| 276 | A | A | -0.9022 | |
| 277 | C | A | -0.8989 | |
| 278 | L | A | 0.0000 | |
| 279 | R | A | -0.5888 | |
| 280 | G | A | -0.6997 | |
| 281 | V | A | -0.5102 | |
| 282 | S | A | -0.8911 | |
| 283 | S | A | -1.1820 | |
| 284 | D | A | -2.3976 | |
| 285 | T | A | -1.7225 | |
| 286 | L | A | 0.0000 | |
| 287 | E | A | -1.7927 | |
| 288 | D | A | -2.4854 | |
| 289 | A | A | 0.0000 | |
| 290 | T | A | 0.0000 | |
| 291 | N | A | 0.0000 | |
| 292 | N | A | -0.9167 | |
| 293 | T | A | 0.0000 | |
| 294 | P | A | 0.4239 | |
| 295 | G | A | 0.0000 | |
| 296 | F | A | 1.7300 | |
| 297 | L | A | 2.0680 | |
| 298 | A | A | 1.4595 | |
| 299 | Y | A | 1.6591 | |
| 300 | S | A | 0.6895 | |
| 301 | S | A | 0.2632 | |
| 302 | L | A | 0.0831 | |
| 303 | R | A | -0.3752 | |
| 304 | L | A | -0.0577 | |
| 305 | S | A | 0.0208 | |
| 306 | Y | A | 0.0000 | |
| 307 | L | A | 0.0000 | |
| 308 | P | A | 0.0000 | |
| 309 | R | A | 0.0000 | |
| 310 | P | A | -0.7730 | |
| 311 | D | A | 0.0000 | |
| 312 | G | A | -0.2989 | |
| 313 | V | A | 0.9388 | |
| 314 | N | A | -0.5370 | |
| 315 | I | A | 0.0000 | |
| 316 | T | A | -1.2003 | |
| 317 | D | A | -1.8544 | |
| 318 | D | A | -1.6044 | |
| 319 | M | A | 0.0000 | |
| 320 | Y | A | 0.0000 | |
| 321 | A | A | -2.1079 | |
| 322 | L | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | R | A | -3.0727 | |
| 325 | E | A | -3.1144 | |
| 326 | G | A | -2.4529 | |
| 327 | K | A | -2.7491 | |
| 328 | Y | A | -1.8983 | |
| 329 | A | A | 0.0000 | |
| 330 | N | A | -1.8166 | |
| 331 | I | A | 0.0000 | |
| 332 | P | A | -0.7275 | |
| 333 | V | A | 0.0000 | |
| 334 | I | A | 0.0000 | |
| 335 | I | A | 0.0000 | |
| 336 | G | A | 0.0000 | |
| 337 | D | A | 0.0000 | |
| 338 | Q | A | 0.0000 | |
| 339 | N | A | -0.3744 | |
| 340 | D | A | 0.0000 | |
| 341 | E | A | 0.0000 | |
| 342 | G | A | 0.0000 | |
| 343 | T | A | 0.0000 | |
| 344 | F | A | 1.4893 | |
| 345 | F | A | 1.0321 | |
| 346 | G | A | 0.0000 | |
| 347 | T | A | 0.7019 | |
| 348 | S | A | 0.3514 | |
| 349 | S | A | 0.3250 | |
| 350 | L | A | 0.3417 | |
| 351 | N | A | -0.9114 | |
| 352 | V | A | 0.0000 | |
| 353 | T | A | -0.6742 | |
| 354 | T | A | -1.5689 | |
| 355 | D | A | -2.3280 | |
| 356 | A | A | -1.6890 | |
| 357 | Q | A | -2.0515 | |
| 358 | A | A | 0.0000 | |
| 359 | R | A | -2.6227 | |
| 360 | E | A | -3.0357 | |
| 361 | Y | A | -1.6742 | |
| 362 | F | A | 0.0000 | |
| 363 | K | A | -2.4488 | |
| 364 | Q | A | -1.9446 | |
| 365 | S | A | -1.1786 | |
| 366 | F | A | 0.0000 | |
| 367 | V | A | -0.6292 | |
| 368 | H | A | -1.0922 | |
| 369 | A | A | 0.0000 | |
| 370 | S | A | -1.2730 | |
| 371 | D | A | -2.1466 | |
| 372 | A | A | -1.2872 | |
| 373 | E | A | -1.4968 | |
| 374 | I | A | 0.0000 | |
| 375 | D | A | -2.0060 | |
| 376 | T | A | -1.2439 | |
| 377 | L | A | 0.0000 | |
| 378 | M | A | -0.8845 | |
| 379 | T | A | -0.4606 | |
| 380 | A | A | -0.5507 | |
| 381 | Y | A | 0.0000 | |
| 382 | P | A | -0.9100 | |
| 383 | G | A | -1.5670 | |
| 384 | D | A | -1.7638 | |
| 385 | I | A | 0.0583 | |
| 386 | T | A | -0.2170 | |
| 387 | Q | A | -1.3263 | |
| 388 | G | A | -0.8627 | |
| 389 | S | A | 0.0000 | |
| 390 | P | A | 0.0000 | |
| 391 | F | A | -0.9646 | |
| 392 | D | A | -1.5894 | |
| 393 | T | A | -0.1716 | |
| 394 | G | A | 0.4188 | |
| 395 | I | A | 2.0702 | |
| 396 | L | A | 2.3157 | |
| 397 | N | A | 1.5111 | |
| 398 | A | A | 1.1914 | |
| 399 | L | A | 1.1449 | |
| 400 | T | A | 0.0000 | |
| 401 | P | A | -0.2772 | |
| 402 | Q | A | 0.0000 | |
| 403 | F | A | 0.0000 | |
| 404 | K | A | 0.0000 | |
| 405 | R | A | 0.0000 | |
| 406 | I | A | 0.0000 | |
| 407 | S | A | 0.0000 | |
| 408 | A | A | 0.0000 | |
| 409 | V | A | 0.0000 | |
| 410 | L | A | 0.0000 | |
| 411 | G | A | 0.0000 | |
| 412 | D | A | 0.0000 | |
| 413 | L | A | 0.0000 | |
| 414 | G | A | 0.0000 | |
| 415 | F | A | 0.0000 | |
| 416 | T | A | 0.0000 | |
| 417 | L | A | 0.0000 | |
| 418 | A | A | 0.0000 | |
| 419 | R | A | 0.0000 | |
| 420 | R | A | 0.0000 | |
| 421 | Y | A | 0.0000 | |
| 422 | F | A | 0.0000 | |
| 423 | L | A | 0.0000 | |
| 424 | N | A | -0.7257 | |
| 425 | H | A | -1.1469 | |
| 426 | Y | A | 0.0000 | |
| 427 | T | A | -0.7292 | |
| 428 | G | A | 0.0000 | |
| 429 | G | A | -0.7972 | |
| 430 | T | A | -0.5743 | |
| 431 | K | A | -0.6953 | |
| 432 | Y | A | 0.0000 | |
| 433 | S | A | 0.0000 | |
| 434 | F | A | 0.0000 | |
| 435 | L | A | 0.0000 | |
| 436 | S | A | 0.0000 | |
| 437 | K | A | -0.5612 | |
| 438 | Q | A | 0.0000 | |
| 439 | L | A | 0.0325 | |
| 440 | S | A | -0.1765 | |
| 441 | G | A | -0.4066 | |
| 442 | L | A | 0.4350 | |
| 443 | P | A | 0.4485 | |
| 444 | V | A | 1.1436 | |
| 445 | L | A | 1.1036 | |
| 446 | G | A | 0.0000 | |
| 447 | T | A | 0.0000 | |
| 448 | F | A | 0.5972 | |
| 449 | H | A | 0.1978 | |
| 450 | S | A | 0.1678 | |
| 451 | N | A | 0.0000 | |
| 452 | D | A | 0.0000 | |
| 453 | I | A | 2.0383 | |
| 454 | V | A | 1.8011 | |
| 455 | F | A | 0.0000 | |
| 456 | Q | A | 0.4751 | |
| 457 | D | A | -0.1837 | |
| 458 | Y | A | 1.6998 | |
| 459 | L | A | 2.3248 | |
| 460 | L | A | 2.0820 | |
| 461 | G | A | 1.1286 | |
| 462 | S | A | 0.7428 | |
| 463 | G | A | 0.0000 | |
| 464 | S | A | 0.6872 | |
| 465 | L | A | 0.6130 | |
| 466 | I | A | 0.0000 | |
| 467 | Y | A | 0.0000 | |
| 468 | N | A | 0.0000 | |
| 469 | N | A | -0.3755 | |
| 470 | A | A | 0.0000 | |
| 471 | F | A | 0.0000 | |
| 472 | I | A | 0.0000 | |
| 473 | A | A | 0.0000 | |
| 474 | F | A | 0.0000 | |
| 475 | A | A | 0.0000 | |
| 476 | T | A | -0.6421 | |
| 477 | D | A | -1.2770 | |
| 478 | L | A | -0.6025 | |
| 479 | D | A | -0.9433 | |
| 480 | P | A | 0.0000 | |
| 481 | N | A | -0.9942 | |
| 482 | T | A | -0.7893 | |
| 483 | A | A | 0.0000 | |
| 484 | G | A | -0.1668 | |
| 485 | L | A | 0.6067 | |
| 486 | L | A | 1.4309 | |
| 487 | V | A | 0.6132 | |
| 488 | K | A | -1.2123 | |
| 489 | W | A | 0.0000 | |
| 490 | P | A | -1.2757 | |
| 491 | E | A | -1.3783 | |
| 492 | Y | A | 0.0000 | |
| 493 | T | A | -0.5822 | |
| 494 | S | A | -0.5990 | |
| 495 | S | A | -0.9252 | |
| 496 | S | A | -0.8665 | |
| 497 | Q | A | -1.1425 | |
| 498 | S | A | -1.0787 | |
| 499 | G | A | -1.3092 | |
| 500 | N | A | -1.6210 | |
| 501 | N | A | 0.0000 | |
| 502 | L | A | 0.0000 | |
| 503 | M | A | 0.0000 | |
| 504 | M | A | 0.0000 | |
| 505 | I | A | 0.0000 | |
| 506 | N | A | 0.1167 | |
| 507 | A | A | 0.5289 | |
| 508 | L | A | 1.4831 | |
| 509 | G | A | 0.7777 | |
| 510 | L | A | 1.1521 | |
| 511 | Y | A | 0.8927 | |
| 512 | T | A | -0.1349 | |
| 513 | G | A | -0.8012 | |
| 514 | K | A | -1.7736 | |
| 515 | D | A | 0.0000 | |
| 516 | N | A | -1.7327 | |
| 517 | F | A | -0.6114 | |
| 518 | R | A | -0.6957 | |
| 519 | T | A | -0.7570 | |
| 520 | A | A | -0.5416 | |
| 521 | G | A | 0.0000 | |
| 522 | Y | A | -0.6845 | |
| 523 | D | A | -1.9426 | |
| 524 | A | A | -1.2544 | |
| 525 | L | A | 0.0000 | |
| 526 | F | A | 0.0000 | |
| 527 | S | A | -1.3306 | |
| 528 | N | A | -1.5750 | |
| 529 | P | A | -0.7732 | |
| 530 | P | A | -0.8031 | |
| 531 | S | A | 0.0000 | |
| 532 | F | A | 0.0000 | |
| 533 | F | A | 0.0000 | |
| 534 | V | A | 0.0000 |
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 | 0.0667 | 4.2116 | View | CSV | PDB |
| 4.5 | 0.009 | 4.2116 | View | CSV | PDB |
| 5.0 | -0.0584 | 4.2116 | View | CSV | PDB |
| 5.5 | -0.127 | 4.2116 | View | CSV | PDB |
| 6.0 | -0.1888 | 4.2116 | View | CSV | PDB |
| 6.5 | -0.2386 | 4.2116 | View | CSV | PDB |
| 7.0 | -0.2756 | 4.2116 | View | CSV | PDB |
| 7.5 | -0.3028 | 4.2116 | View | CSV | PDB |
| 8.0 | -0.3225 | 4.2116 | View | CSV | PDB |
| 8.5 | -0.3332 | 4.2116 | View | CSV | PDB |
| 9.0 | -0.3321 | 4.2116 | 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