| Chain sequence(s) |
A: MNYEAYFRRQLDGLHREGRYRVFADLERHAGSFPRATHHRPEGAGDVTVWCSNDYLGMGQHPAVLTAMHEALDSCGAGAGGTRNIAGTNHYHVLLEQELAALHGKESALLFTSGYVSNWASLSTLASRMPGCVILSDELNHASMIEGIRHSRSETRIFAHNDPRDLERKLADLDPHAPKLVAFESVYSMDGDIAPIAEICDVADAHNAMTYLDEVHGVGLYGPNGGGIADREGISHRLTIIEGTLAAFGVVGGYIAGSSAVCDFVRSFASGFIFSTSPPPAVAAGALASIRHLRASSAERERHQDRVARLRARLDQAGVAHMPNPSHIVPVMVGDAALCKQISDELISRYGIYVQPINYPTVPRGTERLRITPSPQHTDADIEHLVQALSEIWTRVGLA
B: MNYEAYFRRQLDGLHREGRYRVFADLERHAGSFPRATHHRPEGAGDVTVWCSNDYLGMGQHPAVLTAMHEALDSCGAGAGGTRNIAGTNHYHVLLEQELAALHGKESALLFTSGYVSNWASLSTLASRMPGCVILSDELNHASMIEGIRHSRSETRIFAHNDPRDLERKLADLDPHAPKLVAFESVYSMDGDIAPIAEICDVADAHNAMTYLDEVHGVGLYGPNGGGIADREGISHRLTIIEGTLAAFGVVGGYIAGSSAVCDFVRSFASGFIFSTSPPPAVAAGALASIRHLRASSAERERHQDRVARLRARLDQAGVAHMPNPSHIVPVMVGDAALCKQISDELISRYGIYVQPINYPTVPRGTERLRITPSPQHTDADIEHLVQALSEIWTRVGL input PDB |
| Selected Chain(s) | A,B |
| 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 all 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 (00:11:01)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/3b30f3d78e342ea/tmp/folded.pdb (00:11:01)
[INFO] Main: Simulation completed successfully. (00:17:19)
|
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 | -0.7885 | |
| 2 | N | A | -1.4678 | |
| 3 | Y | A | -1.2420 | |
| 4 | E | A | -1.8503 | |
| 5 | A | A | -1.7828 | |
| 6 | Y | A | -1.7549 | |
| 7 | F | A | 0.0000 | |
| 8 | R | A | -3.4821 | |
| 9 | R | A | -3.6282 | |
| 10 | Q | A | -2.6394 | |
| 11 | L | A | 0.0000 | |
| 12 | D | A | -4.0794 | |
| 13 | G | A | -3.2885 | |
| 14 | L | A | 0.0000 | |
| 15 | H | A | -3.4149 | |
| 16 | R | A | -3.7767 | |
| 17 | E | A | -3.4711 | |
| 18 | G | A | -2.4713 | |
| 19 | R | A | -1.3703 | |
| 20 | Y | A | -1.0728 | |
| 21 | R | A | 0.3029 | |
| 22 | V | A | 1.7168 | |
| 23 | F | A | 1.0952 | |
| 24 | A | A | 0.0000 | |
| 25 | D | A | -0.3419 | |
| 26 | L | A | 0.0000 | |
| 27 | E | A | -0.8236 | |
| 28 | R | A | 0.0000 | |
| 29 | H | A | -1.2409 | |
| 30 | A | A | -1.1337 | |
| 31 | G | A | -1.0895 | |
| 32 | S | A | -0.7240 | |
| 33 | F | A | 0.0000 | |
| 34 | P | A | 0.0000 | |
| 35 | R | A | -1.3119 | |
| 36 | A | A | 0.0000 | |
| 37 | T | A | -1.4870 | |
| 38 | H | A | 0.0000 | |
| 39 | H | A | -2.0239 | |
| 40 | R | A | -2.8901 | |
| 41 | P | A | -2.1436 | |
| 42 | E | A | -2.7746 | |
| 43 | G | A | -2.0192 | |
| 44 | A | A | -1.6386 | |
| 45 | G | A | -1.8487 | |
| 46 | D | A | -2.1807 | |
| 47 | V | A | 0.0000 | |
| 48 | T | A | -0.6347 | |
| 49 | V | A | 0.0000 | |
| 50 | W | A | 0.0000 | |
| 51 | C | A | 0.0000 | |
| 52 | S | A | -0.1178 | |
| 53 | N | A | -0.2929 | |
| 54 | D | A | 0.0000 | |
| 55 | Y | A | 0.0000 | |
| 56 | L | A | 0.0000 | |
| 57 | G | A | 0.0000 | |
| 58 | M | A | 0.0000 | |
| 59 | G | A | 0.0000 | |
| 60 | Q | A | -0.7724 | |
| 61 | H | A | -0.4308 | |
| 62 | P | A | -0.5796 | |
| 63 | A | A | -0.3077 | |
| 64 | V | A | 0.0000 | |
| 65 | L | A | -0.6918 | |
| 66 | T | A | -0.8019 | |
| 67 | A | A | -0.6720 | |
| 68 | M | A | 0.0000 | |
| 69 | H | A | -1.9290 | |
| 70 | E | A | -2.5321 | |
| 71 | A | A | 0.0000 | |
| 72 | L | A | 0.0000 | |
| 73 | D | A | -2.6405 | |
| 74 | S | A | -1.7047 | |
| 75 | C | A | 0.0000 | |
| 76 | G | A | 0.0000 | |
| 77 | A | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | A | A | 0.0000 | |
| 80 | G | A | 0.0000 | |
| 81 | G | A | 0.0000 | |
| 82 | T | A | 0.4546 | |
| 83 | R | A | 0.0000 | |
| 84 | N | A | 0.6197 | |
| 85 | I | A | 0.6343 | |
| 86 | A | A | 0.0000 | |
| 87 | G | A | 0.0000 | |
| 88 | T | A | 0.0000 | |
| 89 | N | A | 0.0000 | |
| 90 | H | A | -0.0038 | |
| 91 | Y | A | 0.2884 | |
| 92 | H | A | 0.0000 | |
| 93 | V | A | 0.5425 | |
| 94 | L | A | 0.4155 | |
| 95 | L | A | 0.0000 | |
| 96 | E | A | -0.4114 | |
| 97 | Q | A | -1.2516 | |
| 98 | E | A | -0.9477 | |
| 99 | L | A | 0.0000 | |
| 100 | A | A | 0.0000 | |
| 101 | A | A | -1.0962 | |
| 102 | L | A | 0.0000 | |
| 103 | H | A | 0.0000 | |
| 104 | G | A | -1.2855 | |
| 105 | K | A | -1.6698 | |
| 106 | E | A | -2.2544 | |
| 107 | S | A | -1.4823 | |
| 108 | A | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | F | A | 0.0000 | |
| 112 | T | A | -0.0258 | |
| 113 | S | A | 0.0000 | |
| 114 | G | A | 0.0324 | |
| 115 | Y | A | 0.0000 | |
| 116 | V | A | 0.0000 | |
| 117 | S | A | 0.0000 | |
| 118 | N | A | 0.0000 | |
| 119 | W | A | 0.0000 | |
| 120 | A | A | 0.0000 | |
| 121 | S | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | S | A | -0.7605 | |
| 124 | T | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | S | A | -1.1984 | |
| 128 | R | A | -1.1071 | |
| 129 | M | A | 0.0000 | |
| 130 | P | A | -0.7722 | |
| 131 | G | A | -1.4225 | |
| 132 | C | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | I | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | S | A | 0.0000 | |
| 137 | D | A | 0.0000 | |
| 138 | E | A | -1.0047 | |
| 139 | L | A | 0.2541 | |
| 140 | N | A | 0.0000 | |
| 141 | H | A | -0.1261 | |
| 142 | A | A | 0.2434 | |
| 143 | S | A | 0.0000 | |
| 144 | M | A | 0.0000 | |
| 145 | I | A | 0.0892 | |
| 146 | E | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | I | A | 0.0000 | |
| 149 | R | A | -2.1318 | |
| 150 | H | A | -1.8828 | |
| 151 | S | A | -1.8955 | |
| 152 | R | A | -2.8333 | |
| 153 | S | A | -2.4489 | |
| 154 | E | A | -2.6534 | |
| 155 | T | A | -1.2753 | |
| 156 | R | A | -0.4148 | |
| 157 | I | A | 0.8418 | |
| 158 | F | A | 0.0000 | |
| 159 | A | A | -0.5752 | |
| 160 | H | A | -0.5567 | |
| 161 | N | A | -0.9918 | |
| 162 | D | A | -1.5620 | |
| 163 | P | A | -2.2725 | |
| 164 | R | A | -2.9657 | |
| 165 | D | A | 0.0000 | |
| 166 | L | A | 0.0000 | |
| 167 | E | A | -2.9189 | |
| 168 | R | A | -3.2220 | |
| 169 | K | A | -1.9749 | |
| 170 | L | A | 0.0000 | |
| 171 | A | A | -2.0464 | |
| 172 | D | A | -2.6695 | |
| 173 | L | A | -2.0190 | |
| 174 | D | A | -2.5603 | |
| 175 | P | A | -1.9065 | |
| 176 | H | A | -1.7276 | |
| 177 | A | A | -1.2575 | |
| 178 | P | A | 0.0000 | |
| 179 | K | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | A | A | 0.0000 | |
| 183 | F | A | 0.0000 | |
| 184 | E | A | 0.0000 | |
| 185 | S | A | 0.0000 | |
| 186 | V | A | 0.0000 | |
| 187 | Y | A | 0.0000 | |
| 188 | S | A | -0.1519 | |
| 189 | M | A | -0.1733 | |
| 190 | D | A | -0.9271 | |
| 191 | G | A | 0.0000 | |
| 192 | D | A | -0.5184 | |
| 193 | I | A | 0.0663 | |
| 194 | A | A | 0.0000 | |
| 195 | P | A | -0.5895 | |
| 196 | I | A | 0.0000 | |
| 197 | A | A | -1.6240 | |
| 198 | E | A | -2.7554 | |
| 199 | I | A | 0.0000 | |
| 200 | C | A | 0.0000 | |
| 201 | D | A | -3.0532 | |
| 202 | V | A | -2.3057 | |
| 203 | A | A | 0.0000 | |
| 204 | D | A | -2.9546 | |
| 205 | A | A | -1.6845 | |
| 206 | H | A | -1.6874 | |
| 207 | N | A | -1.9504 | |
| 208 | A | A | -1.0649 | |
| 209 | M | A | 0.0000 | |
| 210 | T | A | 0.0000 | |
| 211 | Y | A | 0.0000 | |
| 212 | L | A | 0.0000 | |
| 213 | D | A | 0.0000 | |
| 214 | E | A | 0.0000 | |
| 215 | V | A | 0.2287 | |
| 216 | H | A | 0.0438 | |
| 217 | G | A | 0.0000 | |
| 218 | V | A | 0.0000 | |
| 219 | G | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | Y | A | -1.0527 | |
| 222 | G | A | -1.8911 | |
| 223 | P | A | -1.5732 | |
| 224 | N | A | -1.7377 | |
| 225 | G | A | 0.0000 | |
| 226 | G | A | 0.0000 | |
| 227 | G | A | 0.0000 | |
| 228 | I | A | 0.0000 | |
| 229 | A | A | 0.0000 | |
| 230 | D | A | -2.1877 | |
| 231 | R | A | -3.1083 | |
| 232 | E | A | -2.9536 | |
| 233 | G | A | -2.1484 | |
| 234 | I | A | -1.4246 | |
| 235 | S | A | -1.4293 | |
| 236 | H | A | -1.3940 | |
| 237 | R | A | -1.3811 | |
| 238 | L | A | 0.0000 | |
| 239 | T | A | -0.4735 | |
| 240 | I | A | 0.0000 | |
| 241 | I | A | 0.0000 | |
| 242 | E | A | 0.0000 | |
| 243 | G | A | 0.0000 | |
| 244 | T | A | 0.0463 | |
| 245 | L | A | 0.0000 | |
| 246 | A | A | 0.0000 | |
| 248 | A | A | 0.0000 | |
| 249 | F | A | 0.0000 | |
| 250 | G | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | V | A | 0.0000 | |
| 253 | G | A | 0.0000 | |
| 254 | G | A | 0.0000 | |
| 255 | Y | A | 0.0000 | |
| 256 | I | A | 0.0000 | |
| 257 | A | A | 0.0000 | |
| 258 | G | A | 0.0000 | |
| 259 | S | A | -1.2981 | |
| 260 | S | A | -1.2221 | |
| 261 | A | A | 0.0000 | |
| 262 | V | A | 0.0000 | |
| 263 | C | A | 0.0000 | |
| 264 | D | A | -0.4112 | |
| 265 | F | A | 0.0000 | |
| 266 | V | A | 0.0000 | |
| 267 | R | A | -0.0634 | |
| 268 | S | A | 0.1238 | |
| 269 | F | A | 0.2115 | |
| 270 | A | A | 0.0000 | |
| 271 | S | A | 0.4389 | |
| 272 | G | A | 0.0000 | |
| 273 | F | A | 0.0000 | |
| 274 | I | A | 0.8832 | |
| 275 | F | A | 1.2175 | |
| 276 | S | A | 0.5603 | |
| 277 | T | A | 0.2572 | |
| 278 | S | A | 0.0000 | |
| 279 | P | A | 0.0000 | |
| 280 | P | A | 0.0000 | |
| 281 | P | A | 0.0000 | |
| 282 | A | A | 0.0000 | |
| 283 | V | A | 0.0000 | |
| 284 | A | A | 0.0000 | |
| 285 | A | A | 0.0000 | |
| 286 | G | A | 0.0000 | |
| 287 | A | A | 0.0000 | |
| 288 | L | A | -0.1832 | |
| 289 | A | A | -0.4878 | |
| 290 | S | A | 0.0000 | |
| 291 | I | A | 0.0000 | |
| 292 | R | A | -1.8689 | |
| 293 | H | A | -1.1556 | |
| 294 | L | A | 0.0000 | |
| 295 | R | A | -1.7518 | |
| 296 | A | A | -0.9935 | |
| 297 | S | A | -0.9467 | |
| 298 | S | A | -1.1504 | |
| 299 | A | A | -1.0934 | |
| 300 | E | A | -1.5935 | |
| 301 | R | A | 0.0000 | |
| 302 | E | A | -3.0635 | |
| 303 | R | A | -2.8630 | |
| 304 | H | A | 0.0000 | |
| 305 | Q | A | -2.5714 | |
| 306 | D | A | -2.6847 | |
| 307 | R | A | 0.0000 | |
| 308 | V | A | 0.0000 | |
| 309 | A | A | -1.1550 | |
| 310 | R | A | -1.7843 | |
| 311 | L | A | 0.0000 | |
| 312 | R | A | -1.3036 | |
| 313 | A | A | -1.5261 | |
| 314 | R | A | -2.0460 | |
| 315 | L | A | 0.0000 | |
| 316 | D | A | -2.7259 | |
| 317 | Q | A | -2.3853 | |
| 318 | A | A | -1.7756 | |
| 319 | G | A | -1.4483 | |
| 320 | V | A | 0.0000 | |
| 321 | A | A | -0.5945 | |
| 322 | H | A | -0.5492 | |
| 323 | M | A | -0.2589 | |
| 324 | P | A | -0.5714 | |
| 325 | N | A | -0.6087 | |
| 326 | P | A | -0.4563 | |
| 327 | S | A | 0.0000 | |
| 328 | H | A | 0.0000 | |
| 329 | I | A | 0.0000 | |
| 330 | V | A | 0.0000 | |
| 331 | P | A | 0.0000 | |
| 332 | V | A | 0.0000 | |
| 333 | M | A | 0.0978 | |
| 334 | V | A | 0.0000 | |
| 335 | G | A | -1.1579 | |
| 336 | D | A | -2.1623 | |
| 337 | A | A | -1.5651 | |
| 338 | A | A | -1.2703 | |
| 339 | L | A | -0.5550 | |
| 340 | C | A | 0.0000 | |
| 341 | K | A | -1.2575 | |
| 342 | Q | A | -1.1451 | |
| 343 | I | A | 0.0000 | |
| 344 | S | A | 0.0000 | |
| 345 | D | A | -1.6279 | |
| 346 | E | A | -1.4331 | |
| 347 | L | A | 0.0000 | |
| 348 | I | A | -0.9604 | |
| 349 | S | A | -1.2843 | |
| 350 | R | A | -2.0105 | |
| 351 | Y | A | -1.0735 | |
| 352 | G | A | -1.1463 | |
| 353 | I | A | 0.0000 | |
| 354 | Y | A | 0.0000 | |
| 355 | V | A | 0.0000 | |
| 356 | Q | A | -0.2567 | |
| 357 | P | A | 0.0000 | |
| 358 | I | A | 0.0000 | |
| 359 | N | A | 0.0000 | |
| 360 | Y | A | -0.9385 | |
| 361 | P | A | -0.4068 | |
| 362 | T | A | -0.1252 | |
| 363 | V | A | 0.0000 | |
| 364 | P | A | -1.1449 | |
| 365 | R | A | -2.3758 | |
| 366 | G | A | -1.8299 | |
| 367 | T | A | -1.2148 | |
| 368 | E | A | 0.0000 | |
| 369 | R | A | 0.0000 | |
| 370 | L | A | 0.0000 | |
| 371 | R | A | 0.0000 | |
| 372 | I | A | 0.0000 | |
| 373 | T | A | 0.0000 | |
| 374 | P | A | 0.0000 | |
| 375 | S | A | 0.0000 | |
| 376 | P | A | -1.2679 | |
| 377 | Q | A | -0.7103 | |
| 378 | H | A | 0.0000 | |
| 379 | T | A | -0.8367 | |
| 380 | D | A | -1.4441 | |
| 381 | A | A | -0.7772 | |
| 382 | D | A | 0.0000 | |
| 383 | I | A | 0.0000 | |
| 384 | E | A | -1.4874 | |
| 385 | H | A | -1.2533 | |
| 386 | L | A | 0.0000 | |
| 387 | V | A | 0.0000 | |
| 388 | Q | A | -1.7471 | |
| 389 | A | A | 0.0000 | |
| 390 | L | A | 0.0000 | |
| 391 | S | A | -1.3928 | |
| 392 | E | A | -1.8698 | |
| 393 | I | A | 0.0000 | |
| 394 | W | A | 0.0000 | |
| 395 | T | A | -1.0740 | |
| 396 | R | A | -1.6447 | |
| 397 | V | A | -0.5450 | |
| 398 | G | A | -0.4463 | |
| 399 | L | A | 0.1827 | |
| 400 | A | A | -0.2697 | |
| 1 | M | B | -0.5848 | |
| 2 | N | B | -1.3954 | |
| 3 | Y | B | 0.0000 | |
| 4 | E | B | -2.0003 | |
| 5 | A | B | -1.8669 | |
| 6 | Y | B | -1.5963 | |
| 7 | F | B | 0.0000 | |
| 8 | R | B | -3.5146 | |
| 9 | R | B | -3.6644 | |
| 10 | Q | B | -2.4309 | |
| 11 | L | B | 0.0000 | |
| 12 | D | B | -4.0323 | |
| 13 | G | B | -3.1990 | |
| 14 | L | B | -2.4863 | |
| 15 | H | B | -3.2826 | |
| 16 | R | B | -3.6912 | |
| 17 | E | B | -3.3351 | |
| 18 | G | B | -2.3258 | |
| 19 | R | B | -1.3194 | |
| 20 | Y | B | -0.9975 | |
| 21 | R | B | 0.1876 | |
| 22 | V | B | 1.5395 | |
| 23 | F | B | 1.0797 | |
| 24 | A | B | 0.0922 | |
| 25 | D | B | -0.3188 | |
| 26 | L | B | 0.0000 | |
| 27 | E | B | -0.8894 | |
| 28 | R | B | 0.0000 | |
| 29 | H | B | -1.3177 | |
| 30 | A | B | -1.1767 | |
| 31 | G | B | -1.1519 | |
| 32 | S | B | -0.8064 | |
| 33 | F | B | 0.0000 | |
| 34 | P | B | -0.6388 | |
| 35 | R | B | -1.4444 | |
| 36 | A | B | 0.0000 | |
| 37 | T | B | -1.5115 | |
| 38 | H | B | 0.0000 | |
| 39 | H | B | -1.9419 | |
| 40 | R | B | -2.5586 | |
| 41 | P | B | -2.0290 | |
| 42 | E | B | -2.7177 | |
| 43 | G | B | -2.0296 | |
| 44 | A | B | -1.7463 | |
| 45 | G | B | -1.8955 | |
| 46 | D | B | -2.2415 | |
| 47 | V | B | 0.0000 | |
| 48 | T | B | 0.0000 | |
| 49 | V | B | 0.0000 | |
| 50 | W | B | 0.0000 | |
| 51 | C | B | 0.0000 | |
| 52 | S | B | -0.1137 | |
| 53 | N | B | -0.3618 | |
| 54 | D | B | 0.0000 | |
| 55 | Y | B | 0.0000 | |
| 56 | L | B | 0.0000 | |
| 57 | G | B | 0.0000 | |
| 58 | M | B | 0.0000 | |
| 59 | G | B | 0.0000 | |
| 60 | Q | B | -0.7961 | |
| 61 | H | B | -0.4328 | |
| 62 | P | B | -0.5841 | |
| 63 | A | B | -0.3670 | |
| 64 | V | B | 0.0000 | |
| 65 | L | B | -0.6772 | |
| 66 | T | B | -0.7887 | |
| 67 | A | B | -0.6546 | |
| 68 | M | B | 0.0000 | |
| 69 | H | B | -1.9274 | |
| 70 | E | B | -2.5559 | |
| 71 | A | B | 0.0000 | |
| 72 | L | B | 0.0000 | |
| 73 | D | B | -2.6784 | |
| 74 | S | B | -1.7370 | |
| 75 | C | B | 0.0000 | |
| 76 | G | B | 0.0000 | |
| 77 | A | B | 0.0000 | |
| 78 | G | B | 0.0000 | |
| 79 | A | B | 0.0000 | |
| 80 | G | B | 0.0000 | |
| 81 | G | B | 0.0000 | |
| 82 | T | B | 0.1673 | |
| 83 | R | B | 0.0000 | |
| 84 | N | B | 0.0000 | |
| 85 | I | B | 0.3045 | |
| 86 | A | B | 0.0000 | |
| 87 | G | B | 0.0000 | |
| 88 | T | B | 0.0000 | |
| 89 | N | B | 0.0000 | |
| 90 | H | B | 0.0452 | |
| 91 | Y | B | 0.2284 | |
| 92 | H | B | 0.0000 | |
| 93 | V | B | 0.4685 | |
| 94 | L | B | 0.2981 | |
| 95 | L | B | 0.0000 | |
| 96 | E | B | -0.4138 | |
| 97 | Q | B | -1.2408 | |
| 98 | E | B | 0.0000 | |
| 99 | L | B | 0.0000 | |
| 100 | A | B | 0.0000 | |
| 101 | A | B | -0.9528 | |
| 102 | L | B | 0.0000 | |
| 103 | H | B | 0.0000 | |
| 104 | G | B | -1.2720 | |
| 105 | K | B | -1.6977 | |
| 106 | E | B | -2.2659 | |
| 107 | S | B | -1.4616 | |
| 108 | A | B | 0.0000 | |
| 109 | L | B | 0.0000 | |
| 110 | L | B | 0.0000 | |
| 111 | F | B | 0.0000 | |
| 112 | T | B | -0.0257 | |
| 113 | S | B | 0.0000 | |
| 114 | G | B | 0.1104 | |
| 115 | Y | B | 0.0000 | |
| 116 | V | B | 0.0000 | |
| 117 | S | B | 0.0000 | |
| 118 | N | B | 0.0000 | |
| 119 | W | B | 0.0000 | |
| 120 | A | B | 0.0000 | |
| 121 | S | B | 0.0000 | |
| 122 | L | B | 0.0000 | |
| 123 | S | B | 0.0000 | |
| 124 | T | B | 0.0000 | |
| 125 | L | B | 0.0000 | |
| 126 | A | B | 0.0000 | |
| 127 | S | B | -1.2309 | |
| 128 | R | B | -0.9348 | |
| 129 | M | B | 0.0000 | |
| 130 | P | B | -0.9080 | |
| 131 | G | B | -1.1621 | |
| 132 | C | B | 0.0000 | |
| 133 | V | B | 0.0000 | |
| 134 | I | B | 0.0000 | |
| 135 | L | B | 0.0000 | |
| 136 | S | B | 0.0000 | |
| 137 | D | B | 0.0000 | |
| 138 | E | B | -0.5576 | |
| 139 | L | B | 0.6809 | |
| 140 | N | B | 0.0000 | |
| 141 | H | B | 0.0229 | |
| 142 | A | B | 0.4174 | |
| 143 | S | B | 0.0000 | |
| 144 | M | B | 0.0000 | |
| 145 | I | B | -0.1512 | |
| 146 | E | B | -0.7068 | |
| 147 | G | B | 0.0000 | |
| 148 | I | B | 0.0000 | |
| 149 | R | B | -2.6327 | |
| 150 | H | B | -2.0481 | |
| 151 | S | B | 0.0000 | |
| 152 | R | B | -2.9259 | |
| 153 | S | B | -2.4730 | |
| 154 | E | B | -2.7225 | |
| 155 | T | B | -1.3456 | |
| 156 | R | B | -0.4897 | |
| 157 | I | B | 0.7138 | |
| 158 | F | B | 0.0000 | |
| 159 | A | B | -0.5463 | |
| 160 | H | B | -0.3780 | |
| 161 | N | B | -0.9099 | |
| 162 | D | B | -1.4252 | |
| 163 | P | B | -2.4446 | |
| 164 | R | B | -3.1573 | |
| 165 | D | B | -2.2053 | |
| 166 | L | B | 0.0000 | |
| 167 | E | B | -3.1097 | |
| 168 | R | B | -3.3739 | |
| 169 | K | B | -2.2067 | |
| 170 | L | B | 0.0000 | |
| 171 | A | B | -2.0797 | |
| 172 | D | B | -2.6304 | |
| 173 | L | B | -1.7900 | |
| 174 | D | B | -2.6111 | |
| 175 | P | B | -1.8620 | |
| 176 | H | B | -1.8690 | |
| 177 | A | B | -1.2567 | |
| 178 | P | B | 0.0000 | |
| 179 | K | B | 0.0000 | |
| 180 | L | B | 0.0000 | |
| 181 | V | B | 0.0000 | |
| 182 | A | B | 0.0000 | |
| 183 | F | B | 0.0000 | |
| 184 | E | B | 0.0000 | |
| 185 | S | B | 0.0000 | |
| 186 | V | B | 0.0000 | |
| 187 | Y | B | 0.0000 | |
| 188 | S | B | -0.0235 | |
| 189 | M | B | 0.0064 | |
| 190 | D | B | -0.6923 | |
| 191 | G | B | 0.0000 | |
| 192 | D | B | -0.5134 | |
| 193 | I | B | -0.0198 | |
| 194 | A | B | 0.0000 | |
| 195 | P | B | -0.6187 | |
| 196 | I | B | 0.0000 | |
| 197 | A | B | -1.6588 | |
| 198 | E | B | -2.6259 | |
| 199 | I | B | 0.0000 | |
| 200 | C | B | 0.0000 | |
| 201 | D | B | -3.1359 | |
| 202 | V | B | 0.0000 | |
| 203 | A | B | 0.0000 | |
| 204 | D | B | -2.6611 | |
| 205 | A | B | -1.6205 | |
| 206 | H | B | -1.9447 | |
| 207 | N | B | -1.8232 | |
| 208 | A | B | -1.0109 | |
| 209 | M | B | 0.0000 | |
| 210 | T | B | 0.0000 | |
| 211 | Y | B | 0.0000 | |
| 212 | L | B | 0.0000 | |
| 213 | D | B | 0.0000 | |
| 214 | E | B | 0.0000 | |
| 215 | V | B | 0.2150 | |
| 216 | H | B | 0.0028 | |
| 217 | G | B | 0.0000 | |
| 218 | V | B | 0.0000 | |
| 219 | G | B | 0.0000 | |
| 220 | L | B | 0.0000 | |
| 221 | Y | B | 0.0000 | |
| 222 | G | B | -1.9266 | |
| 223 | P | B | -1.5303 | |
| 224 | N | B | -1.6737 | |
| 225 | G | B | 0.0000 | |
| 226 | G | B | 0.0000 | |
| 227 | G | B | 0.0000 | |
| 228 | I | B | 0.0000 | |
| 229 | A | B | 0.0000 | |
| 230 | D | B | -2.1795 | |
| 231 | R | B | -3.1220 | |
| 232 | E | B | -2.9600 | |
| 233 | G | B | -2.1501 | |
| 234 | I | B | -1.4075 | |
| 235 | S | B | -1.4325 | |
| 236 | H | B | -1.3937 | |
| 237 | R | B | -1.3761 | |
| 238 | L | B | 0.0000 | |
| 239 | T | B | -0.4120 | |
| 240 | I | B | 0.0000 | |
| 241 | I | B | 0.0000 | |
| 242 | E | B | 0.0000 | |
| 243 | G | B | 0.0000 | |
| 244 | T | B | 0.0452 | |
| 245 | L | B | 0.0000 | |
| 246 | A | B | -0.0456 | |
| 248 | A | B | 0.0000 | |
| 249 | F | B | 0.0000 | |
| 250 | G | B | 0.0000 | |
| 251 | V | B | 0.0000 | |
| 252 | V | B | 0.0000 | |
| 253 | G | B | 0.0000 | |
| 254 | G | B | 0.0000 | |
| 255 | Y | B | 0.0000 | |
| 256 | I | B | 0.0000 | |
| 257 | A | B | 0.0000 | |
| 258 | G | B | 0.0000 | |
| 259 | S | B | -1.0616 | |
| 260 | S | B | -1.1601 | |
| 261 | A | B | 0.0000 | |
| 262 | V | B | 0.0000 | |
| 263 | C | B | 0.0000 | |
| 264 | D | B | -0.5953 | |
| 265 | F | B | 0.0000 | |
| 266 | V | B | 0.0000 | |
| 267 | R | B | -0.2752 | |
| 268 | S | B | 0.0270 | |
| 269 | F | B | 0.0430 | |
| 270 | A | B | 0.0000 | |
| 271 | S | B | 0.1219 | |
| 272 | G | B | 0.0000 | |
| 273 | F | B | 0.0000 | |
| 274 | I | B | 0.0000 | |
| 275 | F | B | 0.3380 | |
| 276 | S | B | 0.1419 | |
| 277 | T | B | 0.0476 | |
| 278 | S | B | 0.0000 | |
| 279 | P | B | 0.0000 | |
| 280 | P | B | 0.0000 | |
| 281 | P | B | 0.0000 | |
| 282 | A | B | 0.0000 | |
| 283 | V | B | 0.0000 | |
| 284 | A | B | 0.0000 | |
| 285 | A | B | 0.0000 | |
| 286 | G | B | 0.0000 | |
| 287 | A | B | 0.0000 | |
| 288 | L | B | 0.0000 | |
| 289 | A | B | -0.7941 | |
| 290 | S | B | 0.0000 | |
| 291 | I | B | 0.0000 | |
| 292 | R | B | -2.2723 | |
| 293 | H | B | -1.4085 | |
| 294 | L | B | 0.0000 | |
| 295 | R | B | -1.7994 | |
| 296 | A | B | -1.0516 | |
| 297 | S | B | -0.9759 | |
| 298 | S | B | -1.1203 | |
| 299 | A | B | -1.0239 | |
| 300 | E | B | -1.4320 | |
| 301 | R | B | 0.0000 | |
| 302 | E | B | -2.8295 | |
| 303 | R | B | -2.5109 | |
| 304 | H | B | 0.0000 | |
| 305 | Q | B | -1.9703 | |
| 306 | D | B | -2.3025 | |
| 307 | R | B | 0.0000 | |
| 308 | V | B | 0.0000 | |
| 309 | A | B | -0.8952 | |
| 310 | R | B | -1.3536 | |
| 311 | L | B | 0.0000 | |
| 312 | R | B | -1.2529 | |
| 313 | A | B | -1.2850 | |
| 314 | R | B | -1.8318 | |
| 315 | L | B | 0.0000 | |
| 316 | D | B | -2.7387 | |
| 317 | Q | B | -2.3446 | |
| 318 | A | B | -1.7063 | |
| 319 | G | B | -1.4689 | |
| 320 | V | B | 0.0000 | |
| 321 | A | B | -0.4250 | |
| 322 | H | B | -0.4027 | |
| 323 | M | B | -0.1913 | |
| 324 | P | B | -0.5231 | |
| 325 | N | B | -0.5821 | |
| 326 | P | B | -0.4679 | |
| 327 | S | B | 0.0000 | |
| 328 | H | B | 0.0000 | |
| 329 | I | B | 0.0000 | |
| 330 | V | B | 0.0000 | |
| 331 | P | B | 0.0000 | |
| 332 | V | B | 0.0000 | |
| 333 | M | B | 0.0067 | |
| 334 | V | B | -0.2930 | |
| 335 | G | B | -1.2465 | |
| 336 | D | B | -1.7869 | |
| 337 | A | B | -1.1847 | |
| 338 | A | B | -0.6430 | |
| 339 | L | B | -0.6658 | |
| 340 | C | B | 0.0000 | |
| 341 | K | B | -1.7027 | |
| 342 | Q | B | -1.7509 | |
| 343 | I | B | 0.0000 | |
| 344 | S | B | 0.0000 | |
| 345 | D | B | -2.6052 | |
| 346 | E | B | -1.9599 | |
| 347 | L | B | 0.0000 | |
| 348 | I | B | -1.2603 | |
| 349 | S | B | -1.5730 | |
| 350 | R | B | -2.2016 | |
| 351 | Y | B | -1.2268 | |
| 352 | G | B | -1.3350 | |
| 353 | I | B | 0.0000 | |
| 354 | Y | B | 0.0000 | |
| 355 | V | B | 0.0000 | |
| 356 | Q | B | -0.4157 | |
| 357 | P | B | -0.5740 | |
| 358 | I | B | 0.0000 | |
| 359 | N | B | -0.8649 | |
| 360 | Y | B | -0.6226 | |
| 361 | P | B | -0.4541 | |
| 362 | T | B | -0.2863 | |
| 363 | V | B | 0.0000 | |
| 364 | P | B | -1.2359 | |
| 365 | R | B | -2.3902 | |
| 366 | G | B | -1.7967 | |
| 367 | T | B | -1.0951 | |
| 368 | E | B | 0.0000 | |
| 369 | R | B | 0.0000 | |
| 370 | L | B | 0.0000 | |
| 371 | R | B | 0.0000 | |
| 372 | I | B | 0.0000 | |
| 373 | T | B | 0.0000 | |
| 374 | P | B | 0.0000 | |
| 375 | S | B | 0.0000 | |
| 376 | P | B | 0.0000 | |
| 377 | Q | B | -0.7220 | |
| 378 | H | B | 0.0000 | |
| 379 | T | B | -0.8114 | |
| 380 | D | B | -1.4568 | |
| 381 | A | B | -0.8591 | |
| 382 | D | B | 0.0000 | |
| 383 | I | B | 0.0000 | |
| 384 | E | B | -1.5992 | |
| 385 | H | B | -1.3062 | |
| 386 | L | B | 0.0000 | |
| 387 | V | B | 0.0000 | |
| 388 | Q | B | -1.6729 | |
| 389 | A | B | 0.0000 | |
| 390 | L | B | 0.0000 | |
| 391 | S | B | -0.8311 | |
| 392 | E | B | -1.0083 | |
| 393 | I | B | 0.0000 | |
| 394 | W | B | 0.0286 | |
| 395 | T | B | -0.0259 | |
| 396 | R | B | -0.0457 | |
| 397 | V | B | 0.8436 | |
| 398 | G | B | 0.4473 | |
| 399 | L | B | 1.3591 |
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 | -0.4935 | 2.47 | View | CSV | PDB |
| 4.5 | -0.5465 | 2.4802 | View | CSV | PDB |
| 5.0 | -0.6103 | 2.495 | View | CSV | PDB |
| 5.5 | -0.6765 | 2.5087 | View | CSV | PDB |
| 6.0 | -0.7393 | 2.5169 | View | CSV | PDB |
| 6.5 | -0.7947 | 2.5204 | View | CSV | PDB |
| 7.0 | -0.841 | 2.5216 | View | CSV | PDB |
| 7.5 | -0.8801 | 2.522 | View | CSV | PDB |
| 8.0 | -0.9144 | 2.5221 | View | CSV | PDB |
| 8.5 | -0.9427 | 2.5222 | View | CSV | PDB |
| 9.0 | -0.9621 | 2.5222 | 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