| Chain sequence(s) |
A: EVQLVESGGGLVQAGGSLRLSCAASGRTFSNYIMGWFRQAPGKEREFVAAISQNGIRIYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAAASHSAWYTQGFEYDYWGQGTQVTVSSGGGGSGGGSGGDCLGPEVEVCDHGGGSGGGSGRSAGGGGSPLGLAGGGGSEVQLVESGGGLVQPGGSLKLSCAASGFTFNKYAMNWVRQAPGKGLEWVARIRSKYQNYATYYADSVKDRFTISRDDSKNTAYLQMNNLKTEDTAVYYCVRHGNFGNSYISYWAYWGQGTLVTVSSGGGSGGGSGGGSQTVVTQEPSLTVSPGGTVTLTCGSSTGAVTSGYYPNWVQQKPGQAPRGLIGGTKFLAPGTPARFSGSLLGGKAALTLSGVQPEDEAEYYCALWYSNRWVFGGGTKLTVLGGGGSQVQLQESGPGLVKPSETLSLTCTVSGGSVSSGDYYWTWIRQSPGKGLEWIGHIYYSGNTNYNPSLKSRLTISIDTSKTQFSLKLSSVTAADTAIYYCVRDRVTGAFDIWGQGTMVTVSSGGGGSGGGGSGGGGSGGGGSDIQMTQSPSSLSASVGDRVTITCQASQDISNYLNWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYFCQHFDHLPLAFGGGTKVEIKSSGSGGSGGSHHHHHH
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 (00:07:09)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b9917d7b4e7a30c/tmp/folded.pdb (00:07:09)
[INFO] Main: Simulation completed successfully. (00:13:12)
|
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 | E | A | -2.6821 | |
| 2 | V | A | 0.0000 | |
| 3 | Q | A | -1.9828 | |
| 4 | L | A | 0.0000 | |
| 5 | V | A | 0.1426 | |
| 6 | E | A | 0.0000 | |
| 7 | S | A | -0.7459 | |
| 8 | G | A | -1.1056 | |
| 9 | G | A | -0.7024 | |
| 10 | G | A | -0.3223 | |
| 11 | L | A | 0.2692 | |
| 12 | V | A | 0.0000 | |
| 13 | Q | A | -1.5214 | |
| 14 | A | A | -1.6838 | |
| 15 | G | A | -1.4008 | |
| 16 | G | A | -0.9867 | |
| 17 | S | A | -1.3061 | |
| 18 | L | A | -1.1452 | |
| 19 | R | A | -2.1574 | |
| 20 | L | A | 0.0000 | |
| 21 | S | A | -0.5504 | |
| 22 | C | A | 0.0000 | |
| 23 | A | A | -0.4948 | |
| 24 | A | A | 0.0000 | |
| 25 | S | A | -1.7042 | |
| 26 | G | A | -2.3630 | |
| 27 | R | A | -3.0265 | |
| 28 | T | A | -1.6781 | |
| 29 | F | A | 0.0000 | |
| 30 | S | A | -1.7867 | |
| 31 | N | A | -2.1559 | |
| 32 | Y | A | 0.0000 | |
| 33 | I | A | 0.0000 | |
| 34 | M | A | 0.0000 | |
| 35 | G | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | F | A | 0.0000 | |
| 38 | R | A | 0.0000 | |
| 39 | Q | A | 0.0000 | |
| 40 | A | A | -1.6742 | |
| 41 | P | A | -1.2418 | |
| 42 | G | A | -1.9852 | |
| 43 | K | A | -3.1581 | |
| 44 | E | A | -3.4709 | |
| 45 | R | A | -2.6664 | |
| 46 | E | A | -2.1063 | |
| 47 | F | A | -0.8812 | |
| 48 | V | A | 0.0000 | |
| 49 | A | A | 0.0000 | |
| 50 | A | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | S | A | 0.0000 | |
| 53 | Q | A | -1.5788 | |
| 54 | N | A | -1.5724 | |
| 55 | G | A | -0.4054 | |
| 56 | I | A | 0.8533 | |
| 57 | R | A | -0.6139 | |
| 58 | I | A | 0.7776 | |
| 59 | Y | A | 0.3125 | |
| 60 | Y | A | -0.4293 | |
| 61 | A | A | -1.3190 | |
| 62 | D | A | -2.4484 | |
| 63 | S | A | -1.8017 | |
| 64 | V | A | 0.0000 | |
| 65 | K | A | -2.5904 | |
| 66 | G | A | -1.8094 | |
| 67 | R | A | -1.6360 | |
| 68 | F | A | 0.0000 | |
| 69 | T | A | -0.7155 | |
| 70 | I | A | 0.0000 | |
| 71 | S | A | -0.0790 | |
| 72 | R | A | -1.2493 | |
| 73 | D | A | -1.7709 | |
| 74 | N | A | -2.1233 | |
| 75 | A | A | -1.4528 | |
| 76 | K | A | -2.3741 | |
| 77 | N | A | -2.1449 | |
| 78 | T | A | 0.0000 | |
| 79 | V | A | 0.0000 | |
| 80 | Y | A | -0.6032 | |
| 81 | L | A | 0.0000 | |
| 82 | Q | A | -1.2918 | |
| 83 | M | A | 0.0000 | |
| 84 | N | A | -1.5284 | |
| 85 | S | A | -1.2322 | |
| 86 | L | A | 0.0000 | |
| 87 | K | A | -2.1576 | |
| 88 | P | A | -1.8326 | |
| 89 | E | A | -2.2514 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -0.7931 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | 0.0000 | |
| 94 | Y | A | 0.0000 | |
| 95 | Y | A | 0.0000 | |
| 96 | C | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | A | A | 0.0000 | |
| 99 | A | A | 0.0000 | |
| 100 | S | A | -1.4151 | |
| 101 | H | A | -1.4244 | |
| 102 | S | A | 0.0000 | |
| 103 | A | A | 0.3268 | |
| 104 | W | A | 1.1844 | |
| 105 | Y | A | 0.0000 | |
| 106 | T | A | 0.4132 | |
| 107 | Q | A | 0.3341 | |
| 108 | G | A | 0.2241 | |
| 109 | F | A | 1.4612 | |
| 110 | E | A | 0.1225 | |
| 111 | Y | A | 0.0000 | |
| 112 | D | A | -1.4958 | |
| 113 | Y | A | -0.8467 | |
| 114 | W | A | -0.4509 | |
| 115 | G | A | -0.4923 | |
| 116 | Q | A | -1.2363 | |
| 117 | G | A | 0.0000 | |
| 118 | T | A | 0.0000 | |
| 119 | Q | A | -0.4888 | |
| 120 | V | A | 0.0000 | |
| 121 | T | A | -0.6053 | |
| 122 | V | A | 0.0000 | |
| 123 | S | A | -1.0956 | |
| 124 | S | A | -1.4706 | |
| 125 | G | A | -1.4968 | |
| 126 | G | A | -1.1807 | |
| 127 | G | A | -1.2078 | |
| 128 | G | A | -1.2133 | |
| 129 | S | A | -1.0518 | |
| 130 | G | A | -1.3786 | |
| 131 | G | A | -1.2288 | |
| 132 | G | A | -1.2482 | |
| 133 | S | A | -1.2868 | |
| 134 | G | A | -1.6642 | |
| 135 | G | A | -1.5380 | |
| 136 | D | A | -1.6252 | |
| 137 | C | A | -0.0184 | |
| 138 | L | A | 1.1479 | |
| 139 | G | A | 0.0000 | |
| 140 | P | A | 0.0000 | |
| 141 | E | A | 0.0000 | |
| 142 | V | A | 0.0000 | |
| 143 | E | A | 0.0000 | |
| 144 | V | A | 0.2026 | |
| 145 | C | A | -0.6426 | |
| 146 | D | A | -2.3540 | |
| 147 | H | A | -2.4240 | |
| 148 | G | A | -1.8591 | |
| 149 | G | A | -1.7471 | |
| 150 | G | A | -1.3657 | |
| 151 | S | A | -1.1333 | |
| 152 | G | A | -1.1605 | |
| 153 | G | A | -1.1690 | |
| 154 | G | A | -1.3163 | |
| 155 | S | A | -1.3838 | |
| 156 | G | A | -1.7004 | |
| 157 | R | A | -2.3333 | |
| 158 | S | A | -1.4298 | |
| 159 | A | A | -1.0996 | |
| 160 | G | A | -1.1751 | |
| 161 | G | A | -1.1104 | |
| 162 | G | A | -1.1583 | |
| 163 | G | A | -0.8382 | |
| 164 | S | A | -0.4223 | |
| 165 | P | A | 0.2784 | |
| 166 | L | A | 1.5091 | |
| 167 | G | A | 0.8845 | |
| 168 | L | A | 1.5341 | |
| 169 | A | A | 0.4624 | |
| 170 | G | A | -0.5419 | |
| 171 | G | A | -0.8091 | |
| 172 | G | A | -1.3462 | |
| 173 | G | A | -1.3648 | |
| 174 | S | A | -1.6773 | |
| 175 | E | A | -2.2486 | |
| 176 | V | A | -1.1049 | |
| 177 | Q | A | -1.1029 | |
| 178 | L | A | 0.0000 | |
| 179 | V | A | 0.3344 | |
| 180 | E | A | 0.0000 | |
| 181 | S | A | -0.4970 | |
| 182 | G | A | -0.7876 | |
| 183 | G | A | -0.4806 | |
| 184 | G | A | 0.0744 | |
| 185 | L | A | 0.7783 | |
| 186 | V | A | 0.0000 | |
| 187 | Q | A | -1.4958 | |
| 188 | P | A | -1.8739 | |
| 189 | G | A | -1.8593 | |
| 190 | G | A | -1.3064 | |
| 191 | S | A | -1.4958 | |
| 192 | L | A | -1.1146 | |
| 193 | K | A | -1.9234 | |
| 194 | L | A | 0.0000 | |
| 195 | S | A | -0.4900 | |
| 196 | C | A | 0.0000 | |
| 197 | A | A | -0.4187 | |
| 198 | A | A | 0.0000 | |
| 199 | S | A | -0.9627 | |
| 200 | G | A | -1.2681 | |
| 201 | F | A | -0.7609 | |
| 202 | T | A | -0.4869 | |
| 203 | F | A | 0.0000 | |
| 204 | N | A | -1.3189 | |
| 205 | K | A | -0.9124 | |
| 206 | Y | A | -0.2441 | |
| 207 | A | A | 0.0000 | |
| 208 | M | A | 0.0000 | |
| 209 | N | A | 0.0000 | |
| 210 | W | A | 0.0000 | |
| 211 | V | A | 0.0000 | |
| 212 | R | A | 0.0000 | |
| 213 | Q | A | -0.8740 | |
| 214 | A | A | -1.2323 | |
| 215 | P | A | -1.0249 | |
| 216 | G | A | -1.7701 | |
| 217 | K | A | -2.1873 | |
| 218 | G | A | -1.4723 | |
| 219 | L | A | 0.0000 | |
| 220 | E | A | -0.9113 | |
| 221 | W | A | 0.0000 | |
| 222 | V | A | 0.0000 | |
| 223 | A | A | 0.0000 | |
| 224 | R | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | R | A | -0.5858 | |
| 227 | S | A | 0.0000 | |
| 228 | K | A | -1.4067 | |
| 229 | Y | A | 0.0864 | |
| 230 | Q | A | -0.6845 | |
| 231 | N | A | -1.3598 | |
| 232 | Y | A | -0.5557 | |
| 233 | A | A | -0.3446 | |
| 234 | T | A | -0.1802 | |
| 235 | Y | A | -0.4918 | |
| 236 | Y | A | -1.2753 | |
| 237 | A | A | -1.8082 | |
| 238 | D | A | -2.9973 | |
| 239 | S | A | -2.1779 | |
| 240 | V | A | 0.0000 | |
| 241 | K | A | -3.1758 | |
| 242 | D | A | -3.2275 | |
| 243 | R | A | -2.4858 | |
| 244 | F | A | 0.0000 | |
| 245 | T | A | -0.9882 | |
| 246 | I | A | 0.0000 | |
| 247 | S | A | -0.2619 | |
| 248 | R | A | -1.0278 | |
| 249 | D | A | -1.5831 | |
| 250 | D | A | -1.9399 | |
| 251 | S | A | -1.6084 | |
| 252 | K | A | -2.4124 | |
| 253 | N | A | -1.7822 | |
| 254 | T | A | 0.0000 | |
| 255 | A | A | 0.0000 | |
| 256 | Y | A | -0.4339 | |
| 257 | L | A | 0.0000 | |
| 258 | Q | A | -1.0617 | |
| 259 | M | A | 0.0000 | |
| 260 | N | A | -2.0460 | |
| 261 | N | A | -2.4576 | |
| 262 | L | A | 0.0000 | |
| 263 | K | A | -2.4722 | |
| 264 | T | A | -1.7221 | |
| 265 | E | A | -2.2082 | |
| 266 | D | A | 0.0000 | |
| 267 | T | A | 0.0000 | |
| 268 | A | A | 0.0000 | |
| 269 | V | A | 0.0000 | |
| 270 | Y | A | 0.0000 | |
| 271 | Y | A | 0.0000 | |
| 272 | C | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | R | A | 0.0000 | |
| 275 | H | A | 0.0000 | |
| 276 | G | A | 0.0000 | |
| 277 | N | A | -0.3867 | |
| 278 | F | A | -0.2332 | |
| 279 | G | A | -0.5921 | |
| 280 | N | A | -1.1406 | |
| 281 | S | A | -0.0055 | |
| 282 | Y | A | 1.3088 | |
| 283 | I | A | 0.0000 | |
| 284 | S | A | 0.0000 | |
| 285 | Y | A | 0.0000 | |
| 286 | W | A | 0.0000 | |
| 287 | A | A | 0.0021 | |
| 288 | Y | A | 0.1803 | |
| 289 | W | A | 0.1021 | |
| 290 | G | A | 0.0000 | |
| 291 | Q | A | -0.5770 | |
| 292 | G | A | 0.0000 | |
| 293 | T | A | 0.0000 | |
| 294 | L | A | 0.0912 | |
| 295 | V | A | 0.0000 | |
| 296 | T | A | 0.0000 | |
| 297 | V | A | 0.0000 | |
| 298 | S | A | -0.5709 | |
| 299 | S | A | -1.1004 | |
| 300 | G | A | -1.2130 | |
| 301 | G | A | -1.2798 | |
| 302 | G | A | -1.2486 | |
| 303 | S | A | -1.0132 | |
| 304 | G | A | -1.2836 | |
| 305 | G | A | -1.1799 | |
| 306 | G | A | -1.1955 | |
| 307 | S | A | -1.0938 | |
| 308 | G | A | -1.5067 | |
| 309 | G | A | -1.3368 | |
| 310 | G | A | -1.5864 | |
| 311 | S | A | -0.9713 | |
| 312 | Q | A | -1.3787 | |
| 313 | T | A | 0.1216 | |
| 314 | V | A | 1.2719 | |
| 315 | V | A | 0.0000 | |
| 316 | T | A | -0.0256 | |
| 317 | Q | A | -0.5485 | |
| 318 | E | A | -0.7698 | |
| 319 | P | A | -0.8610 | |
| 320 | S | A | -0.6836 | |
| 321 | L | A | -0.1543 | |
| 322 | T | A | 0.2151 | |
| 323 | V | A | 0.0000 | |
| 324 | S | A | -0.0508 | |
| 325 | P | A | -0.6799 | |
| 326 | G | A | -0.8505 | |
| 327 | G | A | -0.4318 | |
| 328 | T | A | -0.3448 | |
| 329 | V | A | 0.0076 | |
| 330 | T | A | 0.1531 | |
| 331 | L | A | 0.0000 | |
| 332 | T | A | -0.1491 | |
| 333 | C | A | 0.0000 | |
| 334 | G | A | 0.0000 | |
| 335 | S | A | 0.0621 | |
| 336 | S | A | 0.0276 | |
| 337 | T | A | -0.1833 | |
| 338 | G | A | -0.6031 | |
| 339 | A | A | -0.3370 | |
| 340 | V | A | 0.0000 | |
| 341 | T | A | -0.1589 | |
| 342 | S | A | -0.3211 | |
| 343 | G | A | -0.2332 | |
| 344 | Y | A | -0.0128 | |
| 345 | Y | A | 0.0741 | |
| 346 | P | A | 0.0000 | |
| 347 | N | A | 0.0000 | |
| 348 | W | A | 0.0000 | |
| 349 | V | A | 0.0000 | |
| 350 | Q | A | -0.9772 | |
| 351 | Q | A | -1.3728 | |
| 352 | K | A | -1.8663 | |
| 353 | P | A | -1.4278 | |
| 354 | G | A | -1.4662 | |
| 355 | Q | A | -1.8839 | |
| 356 | A | A | -0.9874 | |
| 357 | P | A | 0.0000 | |
| 358 | R | A | -0.9082 | |
| 359 | G | A | 0.0000 | |
| 360 | L | A | 0.0000 | |
| 361 | I | A | 0.0000 | |
| 362 | G | A | 0.0000 | |
| 363 | G | A | 0.0000 | |
| 364 | T | A | 0.0000 | |
| 365 | K | A | -0.9594 | |
| 366 | F | A | -0.4803 | |
| 367 | L | A | 0.0000 | |
| 368 | A | A | 0.0000 | |
| 369 | P | A | -0.5831 | |
| 370 | G | A | -0.8264 | |
| 371 | T | A | 0.0000 | |
| 372 | P | A | -0.7605 | |
| 373 | A | A | -1.5799 | |
| 374 | R | A | -1.2037 | |
| 375 | F | A | 0.0000 | |
| 376 | S | A | -1.0235 | |
| 377 | G | A | 0.0000 | |
| 378 | S | A | -0.0232 | |
| 379 | L | A | 0.6018 | |
| 380 | L | A | 0.9107 | |
| 381 | G | A | -0.0900 | |
| 382 | G | A | -0.3288 | |
| 383 | K | A | -0.5061 | |
| 384 | A | A | 0.0000 | |
| 385 | A | A | 0.0000 | |
| 386 | L | A | 0.0000 | |
| 387 | T | A | -0.1555 | |
| 388 | L | A | 0.0000 | |
| 389 | S | A | -0.5545 | |
| 390 | G | A | -0.7006 | |
| 391 | V | A | 0.0000 | |
| 392 | Q | A | -1.3361 | |
| 393 | P | A | -1.6032 | |
| 394 | E | A | -2.4466 | |
| 395 | D | A | 0.0000 | |
| 396 | E | A | -1.3177 | |
| 397 | A | A | 0.0000 | |
| 398 | E | A | -1.3163 | |
| 399 | Y | A | 0.0000 | |
| 400 | Y | A | 0.0000 | |
| 401 | C | A | 0.0000 | |
| 402 | A | A | 0.0000 | |
| 403 | L | A | 0.0000 | |
| 404 | W | A | 0.0000 | |
| 405 | Y | A | 0.0000 | |
| 406 | S | A | -0.6400 | |
| 407 | N | A | -1.2559 | |
| 408 | R | A | -1.0295 | |
| 409 | W | A | 0.0000 | |
| 410 | V | A | 0.1902 | |
| 411 | F | A | 0.0000 | |
| 412 | G | A | 0.0000 | |
| 413 | G | A | -0.9179 | |
| 414 | G | A | 0.0000 | |
| 415 | T | A | 0.0000 | |
| 416 | K | A | -1.3130 | |
| 417 | L | A | 0.0000 | |
| 418 | T | A | -0.3254 | |
| 419 | V | A | 0.0000 | |
| 420 | L | A | 0.9297 | |
| 421 | G | A | -0.1168 | |
| 422 | G | A | -0.8835 | |
| 423 | G | A | -0.9371 | |
| 424 | G | A | -1.4631 | |
| 425 | S | A | -1.4077 | |
| 426 | Q | A | -1.7885 | |
| 427 | V | A | -0.8783 | |
| 428 | Q | A | -0.9857 | |
| 429 | L | A | 0.0000 | |
| 430 | Q | A | -1.4047 | |
| 431 | E | A | 0.0000 | |
| 432 | S | A | -0.8046 | |
| 433 | G | A | -0.7061 | |
| 434 | P | A | -0.4027 | |
| 435 | G | A | -0.5453 | |
| 436 | L | A | 0.0342 | |
| 437 | V | A | 0.0000 | |
| 438 | K | A | -1.6060 | |
| 439 | P | A | -1.3043 | |
| 440 | S | A | -1.3556 | |
| 441 | E | A | -2.0038 | |
| 442 | T | A | -1.3768 | |
| 443 | L | A | 0.0000 | |
| 444 | S | A | -0.8231 | |
| 445 | L | A | 0.0000 | |
| 446 | T | A | -0.5647 | |
| 447 | C | A | 0.0000 | |
| 448 | T | A | -0.9327 | |
| 449 | V | A | 0.0000 | |
| 450 | S | A | -1.0393 | |
| 451 | G | A | -0.9836 | |
| 452 | G | A | -0.7980 | |
| 453 | S | A | -0.6484 | |
| 454 | V | A | 0.0000 | |
| 455 | S | A | -0.2978 | |
| 456 | S | A | -0.6128 | |
| 457 | G | A | -0.7565 | |
| 458 | D | A | -1.4970 | |
| 459 | Y | A | -0.2842 | |
| 460 | Y | A | 0.1673 | |
| 461 | W | A | 0.0000 | |
| 462 | T | A | 0.0000 | |
| 463 | W | A | 0.0000 | |
| 464 | I | A | 0.0000 | |
| 465 | R | A | 0.0000 | |
| 466 | Q | A | -0.8046 | |
| 467 | S | A | -0.7546 | |
| 468 | P | A | -0.4916 | |
| 469 | G | A | -1.1220 | |
| 470 | K | A | -2.2198 | |
| 471 | G | A | -1.3885 | |
| 472 | L | A | 0.0000 | |
| 473 | E | A | -0.9097 | |
| 474 | W | A | 0.0000 | |
| 475 | I | A | 0.0000 | |
| 476 | G | A | 0.0000 | |
| 477 | H | A | 0.0000 | |
| 478 | I | A | 0.0000 | |
| 479 | Y | A | 0.0264 | |
| 480 | Y | A | 0.1760 | |
| 481 | S | A | -0.3006 | |
| 482 | G | A | -0.7537 | |
| 483 | N | A | -1.3182 | |
| 484 | T | A | -0.7844 | |
| 485 | N | A | -0.9332 | |
| 486 | Y | A | -0.6691 | |
| 487 | N | A | -0.7153 | |
| 488 | P | A | -1.0566 | |
| 489 | S | A | -0.8272 | |
| 490 | L | A | 0.0000 | |
| 491 | K | A | -2.0725 | |
| 492 | S | A | -1.3064 | |
| 493 | R | A | -1.3220 | |
| 494 | L | A | 0.0000 | |
| 495 | T | A | -0.8982 | |
| 496 | I | A | 0.0000 | |
| 497 | S | A | -0.4132 | |
| 498 | I | A | -0.4141 | |
| 499 | D | A | -1.1040 | |
| 500 | T | A | -0.9486 | |
| 501 | S | A | -1.2887 | |
| 502 | K | A | -2.0885 | |
| 503 | T | A | -1.3433 | |
| 504 | Q | A | -1.1959 | |
| 505 | F | A | 0.0000 | |
| 506 | S | A | -0.4606 | |
| 507 | L | A | 0.0000 | |
| 508 | K | A | -1.1472 | |
| 509 | L | A | 0.0000 | |
| 510 | S | A | -1.1000 | |
| 511 | S | A | -1.1211 | |
| 512 | V | A | 0.0000 | |
| 513 | T | A | -0.5855 | |
| 514 | A | A | -0.2214 | |
| 515 | A | A | 0.0443 | |
| 516 | D | A | 0.0000 | |
| 517 | T | A | 0.0000 | |
| 518 | A | A | 0.0000 | |
| 519 | I | A | -0.0261 | |
| 520 | Y | A | 0.0000 | |
| 521 | Y | A | 0.0000 | |
| 522 | C | A | 0.0000 | |
| 523 | V | A | 0.0000 | |
| 524 | R | A | -0.2226 | |
| 525 | D | A | 0.0000 | |
| 526 | R | A | -0.4288 | |
| 527 | V | A | 0.3823 | |
| 528 | T | A | 0.1078 | |
| 529 | G | A | 0.0000 | |
| 530 | A | A | 0.0000 | |
| 531 | F | A | 0.0000 | |
| 532 | D | A | -0.5556 | |
| 533 | I | A | -0.5070 | |
| 534 | W | A | 0.0000 | |
| 535 | G | A | 0.0000 | |
| 536 | Q | A | -1.3757 | |
| 537 | G | A | 0.0000 | |
| 538 | T | A | 0.0000 | |
| 539 | M | A | 0.0000 | |
| 540 | V | A | 0.0000 | |
| 541 | T | A | 0.0000 | |
| 542 | V | A | 0.0000 | |
| 543 | S | A | 0.0000 | |
| 544 | S | A | -0.9726 | |
| 545 | G | A | -1.2997 | |
| 546 | G | A | -1.2280 | |
| 547 | G | A | -1.2244 | |
| 548 | G | A | -1.1626 | |
| 549 | S | A | -1.0509 | |
| 550 | G | A | -1.2224 | |
| 551 | G | A | -1.2157 | |
| 552 | G | A | -1.2312 | |
| 553 | G | A | -1.2286 | |
| 554 | S | A | -1.0725 | |
| 555 | G | A | -1.2365 | |
| 556 | G | A | -1.2208 | |
| 557 | G | A | -1.2239 | |
| 558 | G | A | -1.2231 | |
| 559 | S | A | -1.0695 | |
| 560 | G | A | -1.2201 | |
| 561 | G | A | -1.1933 | |
| 562 | G | A | -1.3525 | |
| 563 | G | A | -1.1837 | |
| 564 | S | A | -1.4594 | |
| 565 | D | A | -1.8239 | |
| 566 | I | A | -1.7231 | |
| 567 | Q | A | -1.8577 | |
| 568 | M | A | 0.0000 | |
| 569 | T | A | -1.1233 | |
| 570 | Q | A | -0.8116 | |
| 571 | S | A | -0.6840 | |
| 572 | P | A | -0.5603 | |
| 573 | S | A | -0.7454 | |
| 574 | S | A | -0.9576 | |
| 575 | L | A | -0.8114 | |
| 576 | S | A | -1.1505 | |
| 577 | A | A | 0.0000 | |
| 578 | S | A | -0.8970 | |
| 579 | V | A | -0.1451 | |
| 580 | G | A | -0.8844 | |
| 581 | D | A | -1.7043 | |
| 582 | R | A | -2.3167 | |
| 583 | V | A | 0.0000 | |
| 584 | T | A | -0.6482 | |
| 585 | I | A | 0.0000 | |
| 586 | T | A | -0.8317 | |
| 587 | C | A | 0.0000 | |
| 588 | Q | A | -2.4252 | |
| 589 | A | A | 0.0000 | |
| 590 | S | A | -2.0786 | |
| 591 | Q | A | -2.8961 | |
| 592 | D | A | -2.9304 | |
| 593 | I | A | 0.0000 | |
| 594 | S | A | -1.3037 | |
| 595 | N | A | -1.0031 | |
| 596 | Y | A | -0.2135 | |
| 597 | L | A | 0.0000 | |
| 598 | N | A | 0.0000 | |
| 599 | W | A | 0.0000 | |
| 600 | Y | A | 0.0000 | |
| 601 | Q | A | 0.0000 | |
| 602 | Q | A | -0.8927 | |
| 603 | K | A | -1.3179 | |
| 604 | P | A | -0.5068 | |
| 605 | G | A | -0.6836 | |
| 606 | K | A | -1.1301 | |
| 607 | A | A | -0.9689 | |
| 608 | P | A | 0.0000 | |
| 609 | K | A | -1.4942 | |
| 610 | L | A | 0.0000 | |
| 611 | L | A | 0.0000 | |
| 612 | I | A | 0.0000 | |
| 613 | Y | A | -0.0810 | |
| 614 | D | A | -0.5431 | |
| 615 | A | A | 0.0000 | |
| 616 | S | A | -0.6258 | |
| 617 | N | A | -0.6185 | |
| 618 | L | A | -0.0616 | |
| 619 | E | A | -0.4714 | |
| 620 | T | A | -0.3771 | |
| 621 | G | A | -0.5216 | |
| 622 | V | A | 0.0000 | |
| 623 | P | A | -0.3926 | |
| 624 | S | A | -0.4174 | |
| 625 | R | A | -0.7382 | |
| 626 | F | A | 0.0000 | |
| 627 | S | A | -0.4160 | |
| 628 | G | A | -0.4080 | |
| 629 | S | A | -0.9392 | |
| 630 | G | A | -1.2731 | |
| 631 | S | A | -1.4539 | |
| 632 | G | A | -1.8894 | |
| 633 | T | A | -2.4465 | |
| 634 | D | A | -2.8246 | |
| 635 | F | A | 0.0000 | |
| 636 | T | A | -0.8108 | |
| 637 | F | A | 0.0000 | |
| 638 | T | A | -0.6146 | |
| 639 | I | A | 0.0000 | |
| 640 | S | A | -1.3293 | |
| 641 | S | A | -1.2327 | |
| 642 | L | A | 0.0000 | |
| 643 | Q | A | -0.8124 | |
| 644 | P | A | -0.8100 | |
| 645 | E | A | -1.4045 | |
| 646 | D | A | 0.0000 | |
| 647 | I | A | -0.7464 | |
| 648 | A | A | 0.0000 | |
| 649 | T | A | -0.8359 | |
| 650 | Y | A | 0.0000 | |
| 651 | F | A | 0.0000 | |
| 652 | C | A | 0.0000 | |
| 653 | Q | A | 0.0000 | |
| 654 | H | A | 0.0000 | |
| 655 | F | A | -0.0985 | |
| 656 | D | A | -1.2632 | |
| 657 | H | A | -1.0325 | |
| 658 | L | A | -0.2658 | |
| 659 | P | A | -0.3543 | |
| 660 | L | A | 0.0000 | |
| 661 | A | A | -0.5545 | |
| 662 | F | A | -0.2531 | |
| 663 | G | A | 0.0000 | |
| 664 | G | A | -1.1936 | |
| 665 | G | A | 0.0000 | |
| 666 | T | A | 0.0000 | |
| 667 | K | A | -1.4838 | |
| 668 | V | A | 0.0000 | |
| 669 | E | A | -1.5652 | |
| 670 | I | A | -1.0537 | |
| 671 | K | A | -1.8796 | |
| 672 | S | A | -1.2644 | |
| 673 | S | A | -0.9546 | |
| 674 | G | A | -1.2280 | |
| 675 | S | A | -0.9245 | |
| 676 | G | A | -1.1136 | |
| 677 | G | A | -1.1516 | |
| 678 | S | A | -1.0243 | |
| 679 | G | A | -1.2228 | |
| 680 | G | A | -1.3778 | |
| 681 | S | A | -1.5372 | |
| 682 | H | A | -2.2316 | |
| 683 | H | A | -2.5329 | |
| 684 | H | A | -2.7315 | |
| 685 | H | A | -2.6959 | |
| 686 | H | A | -2.4096 | |
| 687 | H | A | -1.9115 |
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 | -0.5918 | 4.4337 | View | CSV | PDB |
| 4.5 | -0.6236 | 4.344 | View | CSV | PDB |
| 5.0 | -0.659 | 4.24 | View | CSV | PDB |
| 5.5 | -0.6899 | 4.1318 | View | CSV | PDB |
| 6.0 | -0.7084 | 4.0263 | View | CSV | PDB |
| 6.5 | -0.711 | 3.9285 | View | CSV | PDB |
| 7.0 | -0.7013 | 3.9099 | View | CSV | PDB |
| 7.5 | -0.6854 | 3.9174 | View | CSV | PDB |
| 8.0 | -0.6658 | 3.9202 | View | CSV | PDB |
| 8.5 | -0.6419 | 3.9211 | View | CSV | PDB |
| 9.0 | -0.6129 | 3.9213 | 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