| Chain sequence(s) | MSKLKSSESVRVVVRCRPMNGKEKAASYDKVVDVDVKLGQVSVKNPKGTSHEMPKTFTFDAVYDWNAKQFELYDETFRPLVDSVLQGFNGTIFAYGQTGTGKTYTMEGVRGDPEKRGVIPNSFDHIFTHISRSQNQQYLVRASYLEIYQEEIRDLLSKDQTKRLELKERPDTGVYVKDLSSFVTKSVKEIEHVMNVGNQNRSVGATNMNEHSSRSHAIFVITIECSEVGLDGENHIRVGKLNLVDLAGSERQAKTGAQGERLKEATKINLSLSALGNVISALVDGKSTHIPYRDSKLTRLLQDSLGGNAKTVMVANVGPASYNVEETLTTLRYANRAKNIKNKPRVNEDPKDALLREFQEEIARLKAQLEKRSIGRRKRREKRREGGGSGGGGEEEEEEGEEGEEDGDDKDDYWREQQEKLEIEKRAIVEDHSLVAEEKMRLLKEKEKKMEDLRREKDAAEMLGAKIKAMESKLLVGGKNIVDHTNEQQKILEQKRQEIAEQKRREREIQQQMESRDEETLELKETYTSLQQEVDIKTKKLKKLFSKLQAVKAEIHDLQEEHIKERQELEQTQNELTRELKLKHLIIENFIPLEEKNKIMNRSFFDDEEDHWKLHPITRLENQQMMKRPVSAVGYKRPLSQHARMSMMIRPEPRYRAENIMLLELDMPSRTTRDYEGPAISPKVQAALDAALQDEDEIQVDASSFESTASRKPKARPKSGRKSGSSSSSSGNPASQFYPQSRGLVPK input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:08)
[INFO] FoldX: Starting FoldX energy minimization (00:00:08)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (01:16:27)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/cb05382a6b20cd/tmp/folded.pdb (01:16:27)
[INFO] Main: Simulation completed successfully. (01:20:36)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 0.7265 | |
| 2 | S | A | -0.3320 | |
| 3 | K | A | -1.3036 | |
| 4 | L | A | -0.1033 | |
| 5 | K | A | -2.2738 | |
| 6 | S | A | -1.7316 | |
| 7 | S | A | -2.1390 | |
| 8 | E | A | -2.7310 | |
| 9 | S | A | -2.2053 | |
| 10 | V | A | 0.0000 | |
| 11 | R | A | -1.5151 | |
| 12 | V | A | 0.0000 | |
| 13 | V | A | 0.0000 | |
| 14 | V | A | 0.0000 | |
| 15 | R | A | 0.0000 | |
| 16 | C | A | 0.0000 | |
| 17 | R | A | -0.5215 | |
| 18 | P | A | -0.7398 | |
| 19 | M | A | -1.3560 | |
| 20 | N | A | -1.8515 | |
| 21 | G | A | -2.1526 | |
| 22 | K | A | -2.5880 | |
| 23 | E | A | 0.0000 | |
| 24 | K | A | -2.8379 | |
| 25 | A | A | -1.5815 | |
| 26 | A | A | -1.0949 | |
| 27 | S | A | -1.3125 | |
| 28 | Y | A | -1.1733 | |
| 29 | D | A | -2.2771 | |
| 30 | K | A | -2.2508 | |
| 31 | V | A | 0.0000 | |
| 32 | V | A | 0.0000 | |
| 33 | D | A | -2.3328 | |
| 34 | V | A | 0.0000 | |
| 35 | D | A | -1.5303 | |
| 36 | V | A | -0.3774 | |
| 37 | K | A | -1.6095 | |
| 38 | L | A | -1.1863 | |
| 39 | G | A | 0.0000 | |
| 40 | Q | A | -1.1821 | |
| 41 | V | A | 0.0000 | |
| 42 | S | A | -1.1873 | |
| 43 | V | A | 0.0000 | |
| 44 | K | A | -2.0259 | |
| 45 | N | A | -1.9278 | |
| 46 | P | A | -1.8301 | |
| 47 | K | A | -2.4833 | |
| 48 | G | A | -1.7847 | |
| 49 | T | A | -1.2397 | |
| 50 | S | A | -1.1960 | |
| 51 | H | A | -1.8242 | |
| 52 | E | A | -1.3798 | |
| 53 | M | A | -0.6557 | |
| 54 | P | A | -0.8554 | |
| 55 | K | A | 0.0000 | |
| 56 | T | A | -0.4970 | |
| 57 | F | A | 0.0000 | |
| 58 | T | A | -0.7094 | |
| 59 | F | A | 0.0000 | |
| 60 | D | A | -1.8706 | |
| 61 | A | A | 0.0000 | |
| 62 | V | A | 0.0000 | |
| 63 | Y | A | 0.0000 | |
| 64 | D | A | -0.9420 | |
| 65 | W | A | -0.8074 | |
| 66 | N | A | -1.4442 | |
| 67 | A | A | -1.0318 | |
| 68 | K | A | -1.7062 | |
| 69 | Q | A | 0.0000 | |
| 70 | F | A | -0.6514 | |
| 71 | E | A | -1.2294 | |
| 72 | L | A | 0.0000 | |
| 73 | Y | A | 0.0000 | |
| 74 | D | A | 0.0000 | |
| 75 | E | A | 0.0000 | |
| 76 | T | A | 0.0000 | |
| 77 | F | A | 0.0000 | |
| 78 | R | A | -0.4694 | |
| 79 | P | A | -0.6107 | |
| 80 | L | A | 0.0000 | |
| 81 | V | A | 0.0000 | |
| 82 | D | A | -1.2589 | |
| 83 | S | A | -0.8550 | |
| 84 | V | A | 0.0000 | |
| 85 | L | A | 0.0000 | |
| 86 | Q | A | -1.0656 | |
| 87 | G | A | 0.0000 | |
| 88 | F | A | -1.0007 | |
| 89 | N | A | -0.9032 | |
| 90 | G | A | 0.0000 | |
| 91 | T | A | 0.0000 | |
| 92 | I | A | 0.0000 | |
| 93 | F | A | 0.0000 | |
| 94 | A | A | 0.0000 | |
| 95 | Y | A | 0.0000 | |
| 96 | G | A | 0.0000 | |
| 97 | Q | A | -0.4672 | |
| 98 | T | A | -0.4701 | |
| 99 | G | A | -0.5683 | |
| 100 | T | A | 0.0000 | |
| 101 | G | A | -0.1470 | |
| 102 | K | A | 0.0000 | |
| 103 | T | A | 0.1536 | |
| 104 | Y | A | 0.3393 | |
| 105 | T | A | 0.0000 | |
| 106 | M | A | 0.0000 | |
| 107 | E | A | -0.4761 | |
| 108 | G | A | -0.6930 | |
| 109 | V | A | -0.7107 | |
| 110 | R | A | -2.3932 | |
| 111 | G | A | -1.7862 | |
| 112 | D | A | -1.9053 | |
| 113 | P | A | -1.7317 | |
| 114 | E | A | -2.4048 | |
| 115 | K | A | -2.1623 | |
| 116 | R | A | -1.7634 | |
| 117 | G | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | I | A | 0.0000 | |
| 120 | P | A | -0.8012 | |
| 121 | N | A | 0.0000 | |
| 122 | S | A | 0.0000 | |
| 123 | F | A | 0.0000 | |
| 124 | D | A | -0.8464 | |
| 125 | H | A | 0.0000 | |
| 126 | I | A | 0.0000 | |
| 127 | F | A | 0.0000 | |
| 128 | T | A | -0.7763 | |
| 129 | H | A | -0.9533 | |
| 130 | I | A | 0.0000 | |
| 131 | S | A | -1.4276 | |
| 132 | R | A | -2.0286 | |
| 133 | S | A | 0.0000 | |
| 134 | Q | A | -2.4864 | |
| 135 | N | A | -1.8094 | |
| 136 | Q | A | -1.2711 | |
| 137 | Q | A | -0.5610 | |
| 138 | Y | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | V | A | 0.0000 | |
| 141 | R | A | 0.0216 | |
| 142 | A | A | 0.0000 | |
| 143 | S | A | 0.0000 | |
| 144 | Y | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | E | A | 0.0000 | |
| 147 | I | A | 0.0000 | |
| 148 | Y | A | -0.5879 | |
| 149 | Q | A | -1.1136 | |
| 150 | E | A | -0.9946 | |
| 151 | E | A | -2.0868 | |
| 152 | I | A | 0.0000 | |
| 153 | R | A | -1.6687 | |
| 154 | D | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | S | A | -1.4709 | |
| 158 | K | A | -2.2285 | |
| 159 | D | A | -2.1038 | |
| 160 | Q | A | -1.6300 | |
| 161 | T | A | -1.7923 | |
| 162 | K | A | -3.2419 | |
| 163 | R | A | -3.5155 | |
| 164 | L | A | 0.0000 | |
| 165 | E | A | -3.5720 | |
| 166 | L | A | 0.0000 | |
| 167 | K | A | -2.6861 | |
| 168 | E | A | -3.3129 | |
| 169 | R | A | -3.4875 | |
| 170 | P | A | -2.4091 | |
| 171 | D | A | -3.2307 | |
| 172 | T | A | -2.2289 | |
| 173 | G | A | -2.0854 | |
| 174 | V | A | -1.6241 | |
| 175 | Y | A | -1.2309 | |
| 176 | V | A | 0.0000 | |
| 177 | K | A | -2.7352 | |
| 178 | D | A | -2.5644 | |
| 179 | L | A | -1.2873 | |
| 180 | S | A | -0.5655 | |
| 181 | S | A | 0.1729 | |
| 182 | F | A | 0.8024 | |
| 183 | V | A | 0.3718 | |
| 184 | T | A | 0.0000 | |
| 185 | K | A | -0.8185 | |
| 186 | S | A | -1.0930 | |
| 187 | V | A | -1.1377 | |
| 188 | K | A | -2.5641 | |
| 189 | E | A | -1.9849 | |
| 190 | I | A | 0.0000 | |
| 191 | E | A | -2.7247 | |
| 192 | H | A | -2.1962 | |
| 193 | V | A | 0.0000 | |
| 194 | M | A | 0.0000 | |
| 195 | N | A | -1.4580 | |
| 196 | V | A | -0.5667 | |
| 197 | G | A | 0.0000 | |
| 198 | N | A | -0.7201 | |
| 199 | Q | A | -0.9049 | |
| 200 | N | A | -0.5161 | |
| 201 | R | A | -0.2883 | |
| 202 | S | A | -0.2271 | |
| 203 | V | A | 0.9366 | |
| 204 | G | A | -0.3143 | |
| 205 | A | A | -1.0452 | |
| 206 | T | A | -0.7677 | |
| 207 | N | A | -1.4598 | |
| 208 | M | A | 0.0000 | |
| 209 | N | A | -2.4830 | |
| 210 | E | A | -2.7129 | |
| 211 | H | A | 0.0000 | |
| 212 | S | A | -1.0249 | |
| 213 | S | A | -0.8415 | |
| 214 | R | A | -0.7901 | |
| 215 | S | A | 0.0000 | |
| 216 | H | A | 0.0000 | |
| 217 | A | A | 0.0000 | |
| 218 | I | A | 0.0000 | |
| 219 | F | A | 0.0000 | |
| 220 | V | A | 0.0000 | |
| 221 | I | A | 0.0000 | |
| 222 | T | A | -0.2396 | |
| 223 | I | A | 0.0000 | |
| 224 | E | A | 0.0000 | |
| 225 | C | A | 0.0000 | |
| 226 | S | A | 0.0000 | |
| 227 | E | A | -0.9038 | |
| 228 | V | A | 0.0957 | |
| 229 | G | A | -0.2339 | |
| 230 | L | A | 0.3788 | |
| 231 | D | A | -1.6902 | |
| 232 | G | A | -1.4406 | |
| 233 | E | A | -2.2670 | |
| 234 | N | A | -1.4270 | |
| 235 | H | A | -1.4954 | |
| 236 | I | A | 0.0000 | |
| 237 | R | A | -1.3443 | |
| 238 | V | A | -0.8136 | |
| 239 | G | A | 0.0000 | |
| 240 | K | A | -0.5137 | |
| 241 | L | A | 0.0000 | |
| 242 | N | A | 0.0000 | |
| 243 | L | A | 0.0000 | |
| 244 | V | A | 0.0000 | |
| 245 | D | A | 0.0000 | |
| 246 | L | A | 0.0000 | |
| 247 | A | A | 0.0000 | |
| 248 | G | A | 0.0000 | |
| 249 | S | A | 0.0000 | |
| 250 | E | A | -1.2773 | |
| 251 | R | A | -1.7548 | |
| 252 | Q | A | -1.4845 | |
| 253 | A | A | -1.3643 | |
| 254 | K | A | -1.9466 | |
| 255 | T | A | -1.4570 | |
| 256 | G | A | -1.3082 | |
| 257 | A | A | -1.8559 | |
| 258 | Q | A | -2.3962 | |
| 259 | G | A | -2.5062 | |
| 260 | E | A | -3.2955 | |
| 261 | R | A | -2.9351 | |
| 262 | L | A | -2.2745 | |
| 263 | K | A | -2.9286 | |
| 264 | E | A | 0.0000 | |
| 265 | A | A | 0.0000 | |
| 266 | T | A | -1.2198 | |
| 267 | K | A | -1.0511 | |
| 268 | I | A | 0.0000 | |
| 269 | N | A | -0.5109 | |
| 270 | L | A | -0.1680 | |
| 271 | S | A | 0.0000 | |
| 272 | L | A | 0.0000 | |
| 273 | S | A | -0.6292 | |
| 274 | A | A | 0.0000 | |
| 275 | L | A | 0.0000 | |
| 276 | G | A | 0.0000 | |
| 277 | N | A | -1.4570 | |
| 278 | V | A | 0.0000 | |
| 279 | I | A | 0.0000 | |
| 280 | S | A | -0.6939 | |
| 281 | A | A | -0.8461 | |
| 282 | L | A | -0.8362 | |
| 283 | V | A | -0.9217 | |
| 284 | D | A | -1.2998 | |
| 285 | G | A | -1.4016 | |
| 286 | K | A | -2.1891 | |
| 287 | S | A | -1.3597 | |
| 288 | T | A | -1.0555 | |
| 289 | H | A | -1.0806 | |
| 290 | I | A | -0.8825 | |
| 291 | P | A | -1.5305 | |
| 292 | Y | A | -1.8860 | |
| 293 | R | A | -2.8302 | |
| 294 | D | A | -2.8366 | |
| 295 | S | A | 0.0000 | |
| 296 | K | A | -1.7758 | |
| 297 | L | A | 0.0000 | |
| 298 | T | A | 0.0000 | |
| 299 | R | A | -1.6631 | |
| 300 | L | A | -0.7314 | |
| 301 | L | A | 0.0000 | |
| 302 | Q | A | -1.2514 | |
| 303 | D | A | -1.5438 | |
| 304 | S | A | 0.0000 | |
| 305 | L | A | 0.0000 | |
| 306 | G | A | -1.3707 | |
| 307 | G | A | -1.7300 | |
| 308 | N | A | -1.6951 | |
| 309 | A | A | 0.0000 | |
| 310 | K | A | -1.5365 | |
| 311 | T | A | 0.0000 | |
| 312 | V | A | 0.0000 | |
| 313 | M | A | 0.0000 | |
| 314 | V | A | 0.0000 | |
| 315 | A | A | 0.0000 | |
| 316 | N | A | 0.0000 | |
| 317 | V | A | 0.0000 | |
| 318 | G | A | 0.0000 | |
| 319 | P | A | 0.0000 | |
| 320 | A | A | 0.0000 | |
| 321 | S | A | -0.8535 | |
| 322 | Y | A | 0.5940 | |
| 323 | N | A | 0.0000 | |
| 324 | V | A | 0.0000 | |
| 325 | E | A | -1.6126 | |
| 326 | E | A | 0.0000 | |
| 327 | T | A | 0.0000 | |
| 328 | L | A | -0.4536 | |
| 329 | T | A | 0.0000 | |
| 330 | T | A | 0.0000 | |
| 331 | L | A | 0.0000 | |
| 332 | R | A | -0.3072 | |
| 333 | Y | A | -0.2307 | |
| 334 | A | A | 0.0000 | |
| 335 | N | A | -1.0707 | |
| 336 | R | A | -1.2544 | |
| 337 | A | A | 0.0000 | |
| 338 | K | A | -1.7686 | |
| 339 | N | A | -1.9207 | |
| 340 | I | A | 0.0000 | |
| 341 | K | A | -2.7890 | |
| 342 | N | A | 0.0000 | |
| 343 | K | A | -3.2245 | |
| 344 | P | A | 0.0000 | |
| 345 | R | A | -2.5288 | |
| 346 | V | A | -1.3163 | |
| 347 | N | A | -1.6329 | |
| 348 | E | A | -2.5509 | |
| 349 | D | A | -2.7619 | |
| 350 | P | A | -2.4931 | |
| 351 | K | A | -3.5096 | |
| 352 | D | A | -3.4474 | |
| 353 | A | A | 0.0000 | |
| 354 | L | A | -1.3196 | |
| 355 | L | A | 0.0000 | |
| 356 | R | A | -2.5208 | |
| 357 | E | A | -2.9882 | |
| 358 | F | A | -1.9896 | |
| 359 | Q | A | -2.1521 | |
| 360 | E | A | -2.9979 | |
| 361 | E | A | -2.5824 | |
| 362 | I | A | -2.4768 | |
| 363 | A | A | -2.1106 | |
| 364 | R | A | -3.0162 | |
| 365 | L | A | -2.3527 | |
| 366 | K | A | -2.8636 | |
| 367 | A | A | -2.6473 | |
| 368 | Q | A | -2.4608 | |
| 369 | L | A | -2.3224 | |
| 370 | E | A | -3.2227 | |
| 371 | K | A | -3.0676 | |
| 372 | R | A | -2.2393 | |
| 373 | S | A | -2.0258 | |
| 374 | I | A | -2.2081 | |
| 375 | G | A | -2.4299 | |
| 376 | R | A | -3.0914 | |
| 377 | R | A | -4.4549 | |
| 378 | K | A | -5.0781 | |
| 379 | R | A | -5.6210 | |
| 380 | R | A | -5.8902 | |
| 381 | E | A | -6.5451 | |
| 382 | K | A | -6.4296 | |
| 383 | R | A | -6.0261 | |
| 384 | R | A | -5.5777 | |
| 385 | E | A | -4.8580 | |
| 386 | G | A | -3.5370 | |
| 387 | G | A | -2.5410 | |
| 388 | G | A | -1.7050 | |
| 389 | S | A | -1.1151 | |
| 390 | G | A | -1.0695 | |
| 391 | G | A | -1.1353 | |
| 392 | G | A | -1.6264 | |
| 393 | G | A | -2.3179 | |
| 394 | E | A | -3.6454 | |
| 395 | E | A | -4.4103 | |
| 396 | E | A | -4.7345 | |
| 397 | E | A | -4.7193 | |
| 398 | E | A | -4.6344 | |
| 399 | E | A | -4.2529 | |
| 400 | G | A | -3.4733 | |
| 401 | E | A | -3.9116 | |
| 402 | E | A | -4.1307 | |
| 403 | G | A | -3.5948 | |
| 404 | E | A | -4.1322 | |
| 405 | E | A | -4.7903 | |
| 406 | D | A | -4.8146 | |
| 407 | G | A | -4.2299 | |
| 408 | D | A | -4.8041 | |
| 409 | D | A | -5.1635 | |
| 410 | K | A | -4.4172 | |
| 411 | D | A | -4.3776 | |
| 412 | D | A | -4.9525 | |
| 413 | Y | A | -3.7011 | |
| 414 | W | A | 0.0000 | |
| 415 | R | A | -4.9204 | |
| 416 | E | A | -4.9038 | |
| 417 | Q | A | -3.3991 | |
| 418 | Q | A | -4.1923 | |
| 419 | E | A | -4.4516 | |
| 420 | K | A | -4.0036 | |
| 421 | L | A | 0.0000 | |
| 422 | E | A | -3.8528 | |
| 423 | I | A | -1.9184 | |
| 424 | E | A | -2.8304 | |
| 425 | K | A | -3.1080 | |
| 426 | R | A | -2.6422 | |
| 427 | A | A | -1.8651 | |
| 428 | I | A | -1.1748 | |
| 429 | V | A | -0.3103 | |
| 430 | E | A | -2.4799 | |
| 431 | D | A | -1.9695 | |
| 432 | H | A | -1.4271 | |
| 433 | S | A | -0.6736 | |
| 434 | L | A | -0.0129 | |
| 435 | V | A | 0.6972 | |
| 436 | A | A | -0.5792 | |
| 437 | E | A | -2.0370 | |
| 438 | E | A | -2.0444 | |
| 439 | K | A | -1.4532 | |
| 440 | M | A | -1.3110 | |
| 441 | R | A | -3.4417 | |
| 442 | L | A | -2.3581 | |
| 443 | L | A | -2.9197 | |
| 444 | K | A | -4.3441 | |
| 445 | E | A | -4.6107 | |
| 446 | K | A | -4.6018 | |
| 447 | E | A | -5.2840 | |
| 448 | K | A | -5.4268 | |
| 449 | K | A | -5.0651 | |
| 450 | M | A | -4.8417 | |
| 451 | E | A | -5.1502 | |
| 452 | D | A | -5.3141 | |
| 453 | L | A | 0.0000 | |
| 454 | R | A | -5.1321 | |
| 455 | R | A | -5.2414 | |
| 456 | E | A | -4.0840 | |
| 457 | K | A | -3.8824 | |
| 458 | D | A | -3.9650 | |
| 459 | A | A | -2.2516 | |
| 460 | A | A | -2.1039 | |
| 461 | E | A | -2.4417 | |
| 462 | M | A | -0.8095 | |
| 463 | L | A | -0.9585 | |
| 464 | G | A | -1.3224 | |
| 465 | A | A | -1.2494 | |
| 466 | K | A | -1.5437 | |
| 467 | I | A | 0.0000 | |
| 468 | K | A | -2.5339 | |
| 469 | A | A | -1.7633 | |
| 470 | M | A | 0.0000 | |
| 471 | E | A | -2.5926 | |
| 472 | S | A | -1.7895 | |
| 473 | K | A | -1.2929 | |
| 474 | L | A | 0.0000 | |
| 475 | L | A | -0.4573 | |
| 476 | V | A | -0.7142 | |
| 477 | G | A | 0.0000 | |
| 478 | G | A | -1.9906 | |
| 479 | K | A | -2.0062 | |
| 480 | N | A | -1.2069 | |
| 481 | I | A | 0.9963 | |
| 482 | V | A | 0.6327 | |
| 483 | D | A | -1.9219 | |
| 484 | H | A | -2.5522 | |
| 485 | T | A | -2.1363 | |
| 486 | N | A | -2.9568 | |
| 487 | E | A | -3.6946 | |
| 488 | Q | A | -3.1585 | |
| 489 | Q | A | -3.0184 | |
| 490 | K | A | -3.3180 | |
| 491 | I | A | -1.6640 | |
| 492 | L | A | -1.4879 | |
| 493 | E | A | -2.0827 | |
| 494 | Q | A | -2.5530 | |
| 495 | K | A | -2.6545 | |
| 496 | R | A | -2.3079 | |
| 497 | Q | A | -2.0992 | |
| 498 | E | A | -2.6673 | |
| 499 | I | A | -0.8685 | |
| 500 | A | A | 0.0000 | |
| 501 | E | A | -2.2688 | |
| 502 | Q | A | -2.8856 | |
| 503 | K | A | -2.5981 | |
| 504 | R | A | -2.7919 | |
| 505 | R | A | -3.0778 | |
| 506 | E | A | -3.0441 | |
| 507 | R | A | 0.0000 | |
| 508 | E | A | -2.9692 | |
| 509 | I | A | -0.5572 | |
| 510 | Q | A | -1.5874 | |
| 511 | Q | A | -2.3295 | |
| 512 | Q | A | -2.3013 | |
| 513 | M | A | -2.2771 | |
| 514 | E | A | -3.5101 | |
| 515 | S | A | -3.4107 | |
| 516 | R | A | -4.6924 | |
| 517 | D | A | -4.4578 | |
| 518 | E | A | -4.3035 | |
| 519 | E | A | -4.2409 | |
| 520 | T | A | -2.9080 | |
| 521 | L | A | -2.1102 | |
| 522 | E | A | -2.8162 | |
| 523 | L | A | -0.8879 | |
| 524 | K | A | -1.7722 | |
| 525 | E | A | -1.6212 | |
| 526 | T | A | -0.7719 | |
| 527 | Y | A | -0.1906 | |
| 528 | T | A | -0.2084 | |
| 529 | S | A | 0.1166 | |
| 530 | L | A | 0.7134 | |
| 531 | Q | A | -1.0046 | |
| 532 | Q | A | -1.4611 | |
| 533 | E | A | -1.0917 | |
| 534 | V | A | -0.2494 | |
| 535 | D | A | -2.1114 | |
| 536 | I | A | -1.8142 | |
| 537 | K | A | -2.2858 | |
| 538 | T | A | -1.8771 | |
| 539 | K | A | -2.5474 | |
| 540 | K | A | -1.6277 | |
| 541 | L | A | -0.7814 | |
| 542 | K | A | -1.8539 | |
| 543 | K | A | -1.8808 | |
| 544 | L | A | 0.5284 | |
| 545 | F | A | 1.2127 | |
| 546 | S | A | -0.3691 | |
| 547 | K | A | -0.6259 | |
| 548 | L | A | 0.8744 | |
| 549 | Q | A | -0.1784 | |
| 550 | A | A | 0.2543 | |
| 551 | V | A | 1.3256 | |
| 552 | K | A | -0.1494 | |
| 553 | A | A | -0.2907 | |
| 554 | E | A | 0.2356 | |
| 555 | I | A | 0.7671 | |
| 556 | H | A | -1.3002 | |
| 557 | D | A | -1.4494 | |
| 558 | L | A | -1.1677 | |
| 559 | Q | A | -2.4049 | |
| 560 | E | A | -3.4736 | |
| 561 | E | A | -3.7739 | |
| 562 | H | A | -3.8541 | |
| 563 | I | A | -2.7523 | |
| 564 | K | A | -4.5880 | |
| 565 | E | A | -5.1406 | |
| 566 | R | A | -4.5955 | |
| 567 | Q | A | -4.4567 | |
| 568 | E | A | -4.2976 | |
| 569 | L | A | -2.8321 | |
| 570 | E | A | -3.9315 | |
| 571 | Q | A | -3.5608 | |
| 572 | T | A | -2.6041 | |
| 573 | Q | A | -2.9921 | |
| 574 | N | A | -3.1178 | |
| 575 | E | A | -3.4169 | |
| 576 | L | A | -1.5283 | |
| 577 | T | A | -2.0899 | |
| 578 | R | A | -3.4002 | |
| 579 | E | A | -2.6785 | |
| 580 | L | A | -1.0611 | |
| 581 | K | A | -1.8854 | |
| 582 | L | A | -0.3096 | |
| 583 | K | A | -1.2081 | |
| 584 | H | A | -1.3391 | |
| 585 | L | A | 0.1175 | |
| 586 | I | A | 0.4152 | |
| 587 | I | A | 0.0340 | |
| 588 | E | A | -1.1265 | |
| 589 | N | A | -0.5822 | |
| 590 | F | A | 1.4186 | |
| 591 | I | A | 0.5342 | |
| 592 | P | A | -0.3210 | |
| 593 | L | A | -0.2432 | |
| 594 | E | A | -2.0790 | |
| 595 | E | A | -1.8462 | |
| 596 | K | A | -1.2291 | |
| 597 | N | A | -1.7946 | |
| 598 | K | A | -2.1526 | |
| 599 | I | A | -0.4812 | |
| 600 | M | A | 0.1016 | |
| 601 | N | A | -1.2286 | |
| 602 | R | A | -0.2673 | |
| 603 | S | A | 0.9091 | |
| 604 | F | A | 1.8998 | |
| 605 | F | A | 0.9955 | |
| 606 | D | A | -1.6011 | |
| 607 | D | A | -3.3085 | |
| 608 | E | A | -4.2762 | |
| 609 | E | A | -4.2553 | |
| 610 | D | A | -3.6067 | |
| 611 | H | A | -1.5019 | |
| 612 | W | A | 0.8412 | |
| 613 | K | A | 0.3411 | |
| 614 | L | A | 1.0114 | |
| 615 | H | A | -0.1644 | |
| 616 | P | A | -0.4062 | |
| 617 | I | A | 0.2586 | |
| 618 | T | A | -0.7649 | |
| 619 | R | A | -1.6438 | |
| 620 | L | A | -0.7695 | |
| 621 | E | A | -2.6188 | |
| 622 | N | A | -2.7086 | |
| 623 | Q | A | -2.2651 | |
| 624 | Q | A | -2.0355 | |
| 625 | M | A | -1.0286 | |
| 626 | M | A | -0.6737 | |
| 627 | K | A | -1.7205 | |
| 628 | R | A | -2.2673 | |
| 629 | P | A | -0.9236 | |
| 630 | V | A | 0.4118 | |
| 631 | S | A | 0.2743 | |
| 632 | A | A | 0.8669 | |
| 633 | V | A | 1.6633 | |
| 634 | G | A | 0.5871 | |
| 635 | Y | A | -0.2284 | |
| 636 | K | A | -2.1045 | |
| 637 | R | A | -2.5475 | |
| 638 | P | A | -0.8255 | |
| 639 | L | A | -1.1269 | |
| 640 | S | A | -1.3044 | |
| 641 | Q | A | -1.8971 | |
| 642 | H | A | -1.6018 | |
| 643 | A | A | -1.3945 | |
| 644 | R | A | -1.0212 | |
| 645 | M | A | 0.2724 | |
| 646 | S | A | -0.2901 | |
| 647 | M | A | -0.3068 | |
| 648 | M | A | 1.5070 | |
| 649 | I | A | 1.6133 | |
| 650 | R | A | -0.7275 | |
| 651 | P | A | -1.3086 | |
| 652 | E | A | -1.9767 | |
| 653 | P | A | -2.1227 | |
| 654 | R | A | -2.5577 | |
| 655 | Y | A | -2.2115 | |
| 656 | R | A | -2.8305 | |
| 657 | A | A | 0.0000 | |
| 658 | E | A | -1.6752 | |
| 659 | N | A | -0.9033 | |
| 660 | I | A | 1.2949 | |
| 661 | M | A | 1.3295 | |
| 662 | L | A | 1.7840 | |
| 663 | L | A | 1.1843 | |
| 664 | E | A | -0.8053 | |
| 665 | L | A | 0.1541 | |
| 666 | D | A | -0.3107 | |
| 667 | M | A | -0.6787 | |
| 668 | P | A | -0.6629 | |
| 669 | S | A | -1.1282 | |
| 670 | R | A | -2.4637 | |
| 671 | T | A | -1.6756 | |
| 672 | T | A | -1.8910 | |
| 673 | R | A | -3.0937 | |
| 674 | D | A | -2.8177 | |
| 675 | Y | A | -1.0715 | |
| 676 | E | A | -2.1516 | |
| 677 | G | A | -0.8709 | |
| 678 | P | A | -0.3026 | |
| 679 | A | A | -0.0120 | |
| 680 | I | A | 0.7311 | |
| 681 | S | A | -0.2063 | |
| 682 | P | A | -0.7603 | |
| 683 | K | A | -1.5524 | |
| 684 | V | A | -0.1168 | |
| 685 | Q | A | -0.9516 | |
| 686 | A | A | -0.8077 | |
| 687 | A | A | -0.2962 | |
| 688 | L | A | 0.1058 | |
| 689 | D | A | -1.3424 | |
| 690 | A | A | -0.6747 | |
| 691 | A | A | -0.4577 | |
| 692 | L | A | -0.1451 | |
| 693 | Q | A | -2.2304 | |
| 694 | D | A | -3.6363 | |
| 695 | E | A | -3.7190 | |
| 696 | D | A | -3.9295 | |
| 697 | E | A | -2.5229 | |
| 698 | I | A | 0.0509 | |
| 699 | Q | A | -0.4326 | |
| 700 | V | A | 0.4667 | |
| 701 | D | A | -0.8549 | |
| 702 | A | A | -0.5800 | |
| 703 | S | A | -0.2458 | |
| 704 | S | A | 0.2974 | |
| 705 | F | A | 0.8280 | |
| 706 | E | A | -1.0118 | |
| 707 | S | A | -0.7935 | |
| 708 | T | A | -0.5719 | |
| 709 | A | A | -0.5035 | |
| 710 | S | A | -1.4864 | |
| 711 | R | A | -2.7838 | |
| 712 | K | A | -3.0470 | |
| 713 | P | A | -2.2474 | |
| 714 | K | A | -2.4600 | |
| 715 | A | A | -1.8396 | |
| 716 | R | A | -2.5784 | |
| 717 | P | A | -1.9528 | |
| 718 | K | A | -2.3374 | |
| 719 | S | A | -1.7533 | |
| 720 | G | A | -2.2273 | |
| 721 | R | A | -2.9671 | |
| 722 | K | A | -2.8501 | |
| 723 | S | A | -1.7450 | |
| 724 | G | A | -1.0455 | |
| 725 | S | A | -0.6295 | |
| 726 | S | A | -0.5659 | |
| 727 | S | A | -0.5045 | |
| 728 | S | A | -0.5062 | |
| 729 | S | A | -0.5595 | |
| 730 | S | A | -0.8514 | |
| 731 | G | A | -1.2956 | |
| 732 | N | A | -1.6976 | |
| 733 | P | A | -1.1086 | |
| 734 | A | A | -0.7277 | |
| 735 | S | A | -0.5482 | |
| 736 | Q | A | -0.0309 | |
| 737 | F | A | 1.8765 | |
| 738 | Y | A | 1.5357 | |
| 739 | P | A | -0.1034 | |
| 740 | Q | A | -1.6538 | |
| 741 | S | A | -1.5648 | |
| 742 | R | A | -1.9431 | |
| 743 | G | A | -0.4169 | |
| 744 | L | A | 1.5076 | |
| 745 | V | A | 1.7008 | |
| 746 | P | A | 0.1162 | |
| 747 | K | A | -1.2713 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -1.3407 | 5.3698 | View | CSV | PDB |
| 4.5 | -1.4548 | 5.1554 | View | CSV | PDB |
| 5.0 | -1.6024 | 4.8658 | View | CSV | PDB |
| 5.5 | -1.7536 | 4.5965 | View | CSV | PDB |
| 6.0 | -1.876 | 4.5965 | View | CSV | PDB |
| 6.5 | -1.9458 | 4.5965 | View | CSV | PDB |
| 7.0 | -1.958 | 4.5965 | View | CSV | PDB |
| 7.5 | -1.9262 | 4.5964 | View | CSV | PDB |
| 8.0 | -1.8693 | 4.5961 | View | CSV | PDB |
| 8.5 | -1.7973 | 4.5952 | View | CSV | PDB |
| 9.0 | -1.7126 | 4.7022 | 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