| Chain sequence(s) |
A: FPKPGTFFLSAFVWALIAVIFWQAGGGDWVARITGASGQIPISAARFWSLDFLIFYAYYIVCVGLFALFWFIYSPHRWQYWSILGTALIIFVTWFLVEVGVAVNAWYAPFYDLIQTALSSPHKVTIEQFYREVGVFLGIALIAVVISVLNNFFVSHYVFRWRTAMNEYYMANWQQLRHIEGAAQRVQEDTMRFASTLENMGVSFINAIMTLIAFLPVLVTLSAHVPELPIIGHIPYGLVIAAIVWSLMGTGLLAVVGIKLPGLEFKNQRVEAAYRKELVYGEDDATRATPPTVRELFSAVRKNYFRLYFHYMYFNIARILYLQVDNVFGLFLLFPSIVAGTITLGLMTQITNVFGQVRGAFQYLINSWTTLVELMSIYKRLRSFEHELRPYFKPTPFPGARGGK
C: QVQLVESGGGLVQAGGSLRLSCAASGFPVIANVMYWYRQAPGKEREWVAAIDSSGEYAYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCYVKVGSHYWGQGTQVTVSA B: FKSFFPKPGTFFLSAFVWALIAVIFWQAGGGDWVARITGASGQIPISAARFWSLDFLIFYAYYIVCVGLFALFWFIYSPHRWQYWSILGTALIIFVTWFLVEVGVAVNAWYAPFYDLIQTALSSPHKVTIEQFYREVGVFLGIALIAVVISVLNNFFVSHYVFRWRTAMNEYYMANWQQLRHIEGAAQRVQEDTMRFASTLENMGVSFINAIMTLIAFLPVLVTLSAHVPELPIIGHIPYGLVIAAIVWSLMGTGLLAVVGIKLPGLEFKNQRVEAAYRKELVYGEDDATRATPPTVRELFSAVRKNYFRLYFHYMYFNIARILYLQVDNVFGLFLLFPSIVAGTITLGLMTQITNVFGQVRGAFQYLINSWTTLVELMSIYKRLRSFEHELD D: VQLVESGGGLVQAGGSLRLSCAASGFPVIANVMYWYRQAPGKEREWVAAIDSSGEYAYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCYVKVGSHYWGQGTQVTVSA input PDB |
| Selected Chain(s) | A,C,B,D |
| 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] (00:00:02)
[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 all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:08)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:23:04)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d4b48046d9e67ca/tmp/folded.pdb (00:23:04)
[INFO] Main: Simulation completed successfully. (00:39:24)
|
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 |
|---|---|---|---|---|
| 6 | F | A | -0.2613 | |
| 7 | P | A | 0.0000 | |
| 8 | K | A | -1.6459 | |
| 9 | P | A | -0.3813 | |
| 10 | G | A | -0.2084 | |
| 11 | T | A | 0.1963 | |
| 12 | F | A | 0.0000 | |
| 13 | F | A | 2.6871 | |
| 14 | L | A | 3.1806 | |
| 15 | S | A | 2.3794 | |
| 16 | A | A | 2.9018 | |
| 17 | F | A | 4.0774 | |
| 18 | V | A | 3.7297 | |
| 19 | W | A | 3.5509 | |
| 20 | A | A | 3.3264 | |
| 21 | L | A | 4.0952 | |
| 22 | I | A | 4.4723 | |
| 23 | A | A | 3.3526 | |
| 24 | V | A | 3.2961 | |
| 25 | I | A | 3.7730 | |
| 26 | F | A | 2.9150 | |
| 27 | W | A | 1.4468 | |
| 28 | Q | A | 0.1065 | |
| 29 | A | A | 0.1633 | |
| 30 | G | A | -0.3936 | |
| 31 | G | A | -0.0901 | |
| 32 | G | A | -0.4054 | |
| 33 | D | A | -1.6767 | |
| 34 | W | A | 0.1248 | |
| 35 | V | A | 0.3344 | |
| 36 | A | A | -0.5069 | |
| 37 | R | A | -1.0259 | |
| 38 | I | A | 1.1329 | |
| 39 | T | A | 0.2853 | |
| 40 | G | A | -0.3169 | |
| 41 | A | A | -0.4960 | |
| 42 | S | A | -1.2377 | |
| 43 | G | A | -0.9034 | |
| 44 | Q | A | -1.0487 | |
| 45 | I | A | 0.3833 | |
| 46 | P | A | 0.3654 | |
| 47 | I | A | 0.8939 | |
| 48 | S | A | 0.4831 | |
| 49 | A | A | 0.6007 | |
| 50 | A | A | 0.5269 | |
| 51 | R | A | 0.0000 | |
| 52 | F | A | 0.0000 | |
| 53 | W | A | 1.4469 | |
| 54 | S | A | 1.0155 | |
| 55 | L | A | 1.2310 | |
| 56 | D | A | 0.3587 | |
| 57 | F | A | 0.0000 | |
| 58 | L | A | 1.7948 | |
| 59 | I | A | 1.4997 | |
| 60 | F | A | 1.5916 | |
| 61 | Y | A | 1.9202 | |
| 62 | A | A | 2.0849 | |
| 63 | Y | A | 2.0894 | |
| 64 | Y | A | 2.4462 | |
| 65 | I | A | 3.5638 | |
| 66 | V | A | 3.3878 | |
| 67 | C | A | 2.5246 | |
| 68 | V | A | 2.6075 | |
| 69 | G | A | 2.4609 | |
| 70 | L | A | 2.9883 | |
| 71 | F | A | 2.2707 | |
| 72 | A | A | 0.0000 | |
| 73 | L | A | 3.2567 | |
| 74 | F | A | 2.9775 | |
| 75 | W | A | 0.0000 | |
| 76 | F | A | 2.6166 | |
| 77 | I | A | 3.3504 | |
| 78 | Y | A | 2.6978 | |
| 79 | S | A | 0.8637 | |
| 80 | P | A | 0.1155 | |
| 81 | H | A | -1.0327 | |
| 82 | R | A | -1.8171 | |
| 83 | W | A | -0.4549 | |
| 84 | Q | A | 0.0213 | |
| 85 | Y | A | 1.2024 | |
| 86 | W | A | 0.8608 | |
| 87 | S | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | L | A | 1.2890 | |
| 90 | G | A | 0.0000 | |
| 91 | T | A | 0.9576 | |
| 92 | A | A | 1.2517 | |
| 93 | L | A | 1.6101 | |
| 94 | I | A | 0.0000 | |
| 95 | I | A | 1.5074 | |
| 96 | F | A | 1.4517 | |
| 97 | V | A | 1.1476 | |
| 98 | T | A | 0.0000 | |
| 99 | W | A | 1.0347 | |
| 100 | F | A | 0.7728 | |
| 101 | L | A | 0.7167 | |
| 102 | V | A | 0.0000 | |
| 103 | E | A | 0.1005 | |
| 104 | V | A | 0.0000 | |
| 105 | G | A | 0.0089 | |
| 106 | V | A | 0.2273 | |
| 107 | A | A | 0.0000 | |
| 108 | V | A | 0.0000 | |
| 109 | N | A | 0.0000 | |
| 110 | A | A | 0.2751 | |
| 111 | W | A | 0.0000 | |
| 112 | Y | A | 0.0000 | |
| 113 | A | A | -0.1267 | |
| 114 | P | A | -0.2060 | |
| 115 | F | A | 0.0000 | |
| 116 | Y | A | -0.2920 | |
| 117 | D | A | -0.7566 | |
| 118 | L | A | -0.3689 | |
| 119 | I | A | 0.0000 | |
| 120 | Q | A | -0.5603 | |
| 121 | T | A | -0.6510 | |
| 122 | A | A | 0.0000 | |
| 123 | L | A | -0.4435 | |
| 124 | S | A | -0.8750 | |
| 125 | S | A | -1.5729 | |
| 126 | P | A | -1.2326 | |
| 127 | H | A | -1.1047 | |
| 128 | K | A | -1.7839 | |
| 129 | V | A | 0.0000 | |
| 130 | T | A | -1.0611 | |
| 131 | I | A | -1.1109 | |
| 132 | E | A | -2.1995 | |
| 133 | Q | A | -1.7022 | |
| 134 | F | A | 0.0000 | |
| 135 | Y | A | -1.0373 | |
| 136 | R | A | -2.1292 | |
| 137 | E | A | 0.0000 | |
| 138 | V | A | -0.1581 | |
| 139 | G | A | -0.8004 | |
| 140 | V | A | -0.0956 | |
| 141 | F | A | 0.0000 | |
| 142 | L | A | 0.4287 | |
| 143 | G | A | 0.2762 | |
| 144 | I | A | 0.0000 | |
| 145 | A | A | 0.0000 | |
| 146 | L | A | 1.4702 | |
| 147 | I | A | 1.3007 | |
| 148 | A | A | 1.1326 | |
| 149 | V | A | 0.0000 | |
| 150 | V | A | 2.2214 | |
| 151 | I | A | 1.6891 | |
| 152 | S | A | 1.1059 | |
| 153 | V | A | 0.0000 | |
| 154 | L | A | 1.6071 | |
| 155 | N | A | 0.7194 | |
| 156 | N | A | -0.1052 | |
| 157 | F | A | 1.1933 | |
| 158 | F | A | 0.7453 | |
| 159 | V | A | 0.2395 | |
| 160 | S | A | 0.4016 | |
| 161 | H | A | 0.3633 | |
| 162 | Y | A | 0.0000 | |
| 163 | V | A | 0.0000 | |
| 164 | F | A | 0.0000 | |
| 165 | R | A | -0.2156 | |
| 166 | W | A | -0.0264 | |
| 167 | R | A | 0.0000 | |
| 168 | T | A | 0.0000 | |
| 169 | A | A | -0.5440 | |
| 170 | M | A | -0.1708 | |
| 171 | N | A | 0.0000 | |
| 172 | E | A | -1.3818 | |
| 173 | Y | A | -0.1564 | |
| 174 | Y | A | 0.0000 | |
| 175 | M | A | -0.8617 | |
| 176 | A | A | -0.5723 | |
| 177 | N | A | -0.9637 | |
| 178 | W | A | 0.0000 | |
| 179 | Q | A | -2.3007 | |
| 180 | Q | A | -2.2314 | |
| 181 | L | A | 0.0000 | |
| 182 | R | A | -2.5633 | |
| 183 | H | A | -2.6691 | |
| 184 | I | A | -1.9500 | |
| 185 | E | A | -2.3274 | |
| 186 | G | A | -1.3988 | |
| 187 | A | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | Q | A | -1.2767 | |
| 190 | R | A | -1.2916 | |
| 191 | V | A | 0.0000 | |
| 192 | Q | A | 0.0000 | |
| 193 | E | A | -1.1500 | |
| 194 | D | A | 0.0000 | |
| 195 | T | A | 0.0000 | |
| 196 | M | A | -0.4638 | |
| 197 | R | A | -0.9613 | |
| 198 | F | A | 0.0000 | |
| 199 | A | A | 0.0000 | |
| 200 | S | A | -0.5345 | |
| 201 | T | A | -0.4670 | |
| 202 | L | A | 0.1573 | |
| 203 | E | A | -0.4577 | |
| 204 | N | A | -0.9093 | |
| 205 | M | A | 0.0000 | |
| 206 | G | A | 0.1878 | |
| 207 | V | A | 0.6667 | |
| 208 | S | A | 0.6610 | |
| 209 | F | A | 1.5860 | |
| 210 | I | A | 1.7334 | |
| 211 | N | A | 1.5596 | |
| 212 | A | A | 0.0000 | |
| 213 | I | A | 3.0393 | |
| 214 | M | A | 2.2066 | |
| 215 | T | A | 0.0000 | |
| 216 | L | A | 2.0248 | |
| 217 | I | A | 2.8071 | |
| 218 | A | A | 1.5284 | |
| 219 | F | A | 0.0000 | |
| 220 | L | A | 1.2609 | |
| 221 | P | A | 0.6598 | |
| 222 | V | A | 0.6814 | |
| 223 | L | A | 0.0000 | |
| 224 | V | A | 0.9752 | |
| 225 | T | A | 0.3745 | |
| 226 | L | A | 0.0000 | |
| 227 | S | A | 0.0000 | |
| 228 | A | A | 0.1624 | |
| 229 | H | A | -0.3781 | |
| 230 | V | A | 0.0000 | |
| 231 | P | A | 0.0000 | |
| 232 | E | A | 0.3237 | |
| 233 | L | A | 0.0000 | |
| 234 | P | A | 1.4700 | |
| 235 | I | A | 2.8598 | |
| 236 | I | A | 2.9735 | |
| 237 | G | A | 1.4864 | |
| 238 | H | A | 0.9291 | |
| 239 | I | A | 1.4723 | |
| 240 | P | A | 0.9085 | |
| 241 | Y | A | 1.8913 | |
| 242 | G | A | 0.0000 | |
| 243 | L | A | 0.0000 | |
| 244 | V | A | 0.0000 | |
| 245 | I | A | 2.3347 | |
| 246 | A | A | 1.7208 | |
| 247 | A | A | 0.0000 | |
| 248 | I | A | 2.0456 | |
| 249 | V | A | 2.6763 | |
| 250 | W | A | 1.6289 | |
| 251 | S | A | 0.0000 | |
| 252 | L | A | 2.0473 | |
| 253 | M | A | 1.7794 | |
| 254 | G | A | 0.0000 | |
| 255 | T | A | 1.2304 | |
| 256 | G | A | 1.2121 | |
| 257 | L | A | 1.4859 | |
| 258 | L | A | 0.0000 | |
| 259 | A | A | 1.7579 | |
| 260 | V | A | 2.5003 | |
| 261 | V | A | 1.9433 | |
| 262 | G | A | 1.7107 | |
| 263 | I | A | 1.9474 | |
| 264 | K | A | -0.2049 | |
| 265 | L | A | -0.1153 | |
| 266 | P | A | -0.3067 | |
| 267 | G | A | -0.8256 | |
| 268 | L | A | 0.0000 | |
| 269 | E | A | -2.2907 | |
| 270 | F | A | -1.5920 | |
| 271 | K | A | -2.4119 | |
| 272 | N | A | 0.0000 | |
| 273 | Q | A | -2.5560 | |
| 274 | R | A | -2.9358 | |
| 275 | V | A | 0.0000 | |
| 276 | E | A | 0.0000 | |
| 277 | A | A | -1.8169 | |
| 278 | A | A | -1.2628 | |
| 279 | Y | A | 0.0000 | |
| 280 | R | A | -1.2859 | |
| 281 | K | A | -1.2720 | |
| 282 | E | A | 0.0000 | |
| 283 | L | A | 0.0000 | |
| 284 | V | A | 0.4927 | |
| 285 | Y | A | 0.6009 | |
| 286 | G | A | 0.0000 | |
| 287 | E | A | -1.4119 | |
| 288 | D | A | -1.9807 | |
| 289 | D | A | -1.3708 | |
| 290 | A | A | -0.9421 | |
| 291 | T | A | -0.5772 | |
| 292 | R | A | -0.7035 | |
| 293 | A | A | 0.0000 | |
| 294 | T | A | -0.7254 | |
| 295 | P | A | -1.2161 | |
| 296 | P | A | -1.4873 | |
| 297 | T | A | -1.5014 | |
| 298 | V | A | 0.0000 | |
| 299 | R | A | -2.9300 | |
| 300 | E | A | -2.8602 | |
| 301 | L | A | -1.5681 | |
| 302 | F | A | 0.0000 | |
| 303 | S | A | -2.0198 | |
| 304 | A | A | -1.6122 | |
| 305 | V | A | 0.0000 | |
| 306 | R | A | -2.3209 | |
| 307 | K | A | -2.5539 | |
| 308 | N | A | -2.4163 | |
| 309 | Y | A | -1.3002 | |
| 310 | F | A | -0.4536 | |
| 311 | R | A | -1.2357 | |
| 312 | L | A | 0.0000 | |
| 313 | Y | A | 1.0150 | |
| 314 | F | A | 2.2036 | |
| 315 | H | A | 1.1955 | |
| 316 | Y | A | 1.5542 | |
| 317 | M | A | 2.0776 | |
| 318 | Y | A | 2.2718 | |
| 319 | F | A | 1.9888 | |
| 320 | N | A | 0.0000 | |
| 321 | I | A | 2.0366 | |
| 322 | A | A | 0.0000 | |
| 323 | R | A | 0.6757 | |
| 324 | I | A | 1.1714 | |
| 325 | L | A | 1.3458 | |
| 326 | Y | A | 0.0000 | |
| 327 | L | A | 0.4615 | |
| 328 | Q | A | 0.2900 | |
| 329 | V | A | 0.4429 | |
| 330 | D | A | -0.3832 | |
| 331 | N | A | -1.0221 | |
| 332 | V | A | 0.0000 | |
| 333 | F | A | 0.1344 | |
| 334 | G | A | -0.0659 | |
| 335 | L | A | 0.0000 | |
| 336 | F | A | 0.4052 | |
| 337 | L | A | 0.0000 | |
| 338 | L | A | 0.0000 | |
| 339 | F | A | 0.0000 | |
| 340 | P | A | 0.1752 | |
| 341 | S | A | 0.0000 | |
| 342 | I | A | 0.0000 | |
| 343 | V | A | 0.0000 | |
| 344 | A | A | 0.0000 | |
| 345 | G | A | -0.5610 | |
| 346 | T | A | 0.0000 | |
| 347 | I | A | 0.0000 | |
| 348 | T | A | -0.2212 | |
| 349 | L | A | 0.0000 | |
| 350 | G | A | 0.0000 | |
| 351 | L | A | 0.0643 | |
| 352 | M | A | 0.0000 | |
| 353 | T | A | -0.0057 | |
| 354 | Q | A | 0.0000 | |
| 355 | I | A | 0.0000 | |
| 356 | T | A | -0.1042 | |
| 357 | N | A | 0.0000 | |
| 358 | V | A | 0.0000 | |
| 359 | F | A | -0.1450 | |
| 360 | G | A | -0.4611 | |
| 361 | Q | A | -0.4636 | |
| 362 | V | A | 0.0000 | |
| 363 | R | A | -0.5620 | |
| 364 | G | A | -0.4186 | |
| 365 | A | A | 0.0000 | |
| 366 | F | A | 0.7547 | |
| 367 | Q | A | 0.0222 | |
| 368 | Y | A | 0.8513 | |
| 369 | L | A | 1.0698 | |
| 370 | I | A | 0.3470 | |
| 371 | N | A | -0.5133 | |
| 372 | S | A | 0.1664 | |
| 373 | W | A | 0.6646 | |
| 374 | T | A | 0.0637 | |
| 375 | T | A | 0.0981 | |
| 376 | L | A | 0.4867 | |
| 377 | V | A | 0.3861 | |
| 378 | E | A | -0.3216 | |
| 379 | L | A | 0.1659 | |
| 380 | M | A | 0.2313 | |
| 381 | S | A | -0.3767 | |
| 382 | I | A | 0.0000 | |
| 383 | Y | A | -0.2557 | |
| 384 | K | A | -1.8916 | |
| 385 | R | A | -1.7273 | |
| 386 | L | A | 0.0000 | |
| 387 | R | A | -2.5742 | |
| 388 | S | A | -2.1472 | |
| 389 | F | A | 0.0000 | |
| 390 | E | A | -2.0688 | |
| 391 | H | A | -2.4101 | |
| 392 | E | A | -2.4478 | |
| 393 | L | A | -0.9313 | |
| 1 | R | A | 0.1366 | |
| 2 | P | A | 0.4178 | |
| 3 | Y | A | 0.7688 | |
| 4 | F | A | 1.5471 | |
| 5 | K | A | 0.0560 | |
| 2 | F | B | -0.6038 | |
| 3 | K | B | -1.9601 | |
| 4 | S | B | -1.2025 | |
| 5 | F | B | 0.0000 | |
| 6 | F | B | 0.0000 | |
| 7 | P | B | 0.0000 | |
| 8 | K | B | -2.1121 | |
| 9 | P | B | -0.7880 | |
| 10 | G | B | -0.3956 | |
| 11 | T | B | 0.0899 | |
| 12 | F | B | 0.0000 | |
| 13 | F | B | 2.2653 | |
| 14 | L | B | 2.9944 | |
| 15 | S | B | 2.2359 | |
| 16 | A | B | 2.6620 | |
| 17 | F | B | 3.8416 | |
| 18 | V | B | 3.4852 | |
| 19 | W | B | 3.1568 | |
| 20 | A | B | 3.0160 | |
| 21 | L | B | 3.6714 | |
| 22 | I | B | 4.0161 | |
| 23 | A | B | 3.0309 | |
| 24 | V | B | 3.0045 | |
| 25 | I | B | 3.5863 | |
| 26 | F | B | 2.7345 | |
| 27 | W | B | 1.3321 | |
| 28 | Q | B | -0.2041 | |
| 29 | A | B | 0.1514 | |
| 30 | G | B | -0.2728 | |
| 31 | G | B | -0.0085 | |
| 32 | G | B | -0.2358 | |
| 33 | D | B | -1.5722 | |
| 34 | W | B | 0.1250 | |
| 35 | V | B | 0.2559 | |
| 36 | A | B | -0.6606 | |
| 37 | R | B | -1.0015 | |
| 38 | I | B | 1.1251 | |
| 39 | T | B | 0.1897 | |
| 40 | G | B | -0.4587 | |
| 41 | A | B | -0.7686 | |
| 42 | S | B | -1.1845 | |
| 43 | G | B | -1.1676 | |
| 44 | Q | B | -1.2749 | |
| 45 | I | B | -0.1942 | |
| 46 | P | B | 0.0998 | |
| 47 | I | B | 0.5794 | |
| 48 | S | B | 0.2618 | |
| 49 | A | B | 0.4782 | |
| 50 | A | B | 0.5226 | |
| 51 | R | B | 0.0000 | |
| 52 | F | B | 0.0000 | |
| 53 | W | B | 1.5070 | |
| 54 | S | B | 0.7908 | |
| 55 | L | B | 0.7690 | |
| 56 | D | B | -0.3009 | |
| 57 | F | B | 0.0000 | |
| 58 | L | B | 1.5547 | |
| 59 | I | B | 1.2470 | |
| 60 | F | B | 1.3800 | |
| 61 | Y | B | 1.8436 | |
| 62 | A | B | 1.8802 | |
| 63 | Y | B | 2.0445 | |
| 64 | Y | B | 2.4344 | |
| 65 | I | B | 3.5864 | |
| 66 | V | B | 3.4182 | |
| 67 | C | B | 2.6987 | |
| 68 | V | B | 2.6446 | |
| 69 | G | B | 2.5642 | |
| 70 | L | B | 3.2314 | |
| 71 | F | B | 2.4024 | |
| 72 | A | B | 0.0000 | |
| 73 | L | B | 3.3933 | |
| 74 | F | B | 3.2215 | |
| 75 | W | B | 0.0000 | |
| 76 | F | B | 2.7168 | |
| 77 | I | B | 3.4189 | |
| 78 | Y | B | 2.7661 | |
| 79 | S | B | 0.9276 | |
| 80 | P | B | 0.3685 | |
| 81 | H | B | -1.1106 | |
| 82 | R | B | -1.8175 | |
| 83 | W | B | 0.0000 | |
| 84 | Q | B | -0.0305 | |
| 85 | Y | B | 1.2064 | |
| 86 | W | B | 0.7668 | |
| 87 | S | B | 0.0000 | |
| 88 | I | B | 0.0000 | |
| 89 | L | B | 1.3306 | |
| 90 | G | B | 0.0000 | |
| 91 | T | B | 0.9840 | |
| 92 | A | B | 1.2865 | |
| 93 | L | B | 1.7108 | |
| 94 | I | B | 0.0000 | |
| 95 | I | B | 1.3630 | |
| 96 | F | B | 1.4033 | |
| 97 | V | B | 1.0720 | |
| 98 | T | B | 0.0000 | |
| 99 | W | B | 0.6728 | |
| 100 | F | B | 0.0000 | |
| 101 | L | B | 0.5315 | |
| 102 | V | B | 0.0000 | |
| 103 | E | B | -0.0180 | |
| 104 | V | B | 0.0000 | |
| 105 | G | B | -0.0382 | |
| 106 | V | B | 0.1943 | |
| 107 | A | B | 0.0000 | |
| 108 | V | B | 0.3091 | |
| 109 | N | B | 0.0000 | |
| 110 | A | B | 0.3193 | |
| 111 | W | B | 0.0000 | |
| 112 | Y | B | 0.2488 | |
| 113 | A | B | 0.0175 | |
| 114 | P | B | -0.1564 | |
| 115 | F | B | 0.0000 | |
| 116 | Y | B | -0.1617 | |
| 117 | D | B | -0.6751 | |
| 118 | L | B | -0.3689 | |
| 119 | I | B | 0.0000 | |
| 120 | Q | B | -0.5144 | |
| 121 | T | B | -0.6308 | |
| 122 | A | B | 0.0000 | |
| 123 | L | B | -0.4349 | |
| 124 | S | B | -0.8724 | |
| 125 | S | B | 0.0000 | |
| 126 | P | B | 0.0000 | |
| 127 | H | B | -1.0557 | |
| 128 | K | B | -1.7603 | |
| 129 | V | B | 0.0000 | |
| 130 | T | B | -1.1531 | |
| 131 | I | B | -1.2073 | |
| 132 | E | B | -2.3995 | |
| 133 | Q | B | -2.0972 | |
| 134 | F | B | 0.0000 | |
| 135 | Y | B | -1.3170 | |
| 136 | R | B | -2.3992 | |
| 137 | E | B | 0.0000 | |
| 138 | V | B | -0.3781 | |
| 139 | G | B | -1.0133 | |
| 140 | V | B | 0.0000 | |
| 141 | F | B | 0.0000 | |
| 142 | L | B | 0.3666 | |
| 143 | G | B | 0.2603 | |
| 144 | I | B | 0.0000 | |
| 145 | A | B | 0.0000 | |
| 146 | L | B | 1.7019 | |
| 147 | I | B | 1.3893 | |
| 148 | A | B | 1.3022 | |
| 149 | V | B | 0.0000 | |
| 150 | V | B | 2.5839 | |
| 151 | I | B | 1.8348 | |
| 152 | S | B | 1.2465 | |
| 153 | V | B | 0.0000 | |
| 154 | L | B | 1.7859 | |
| 155 | N | B | 0.8331 | |
| 156 | N | B | -0.0884 | |
| 157 | F | B | 1.2187 | |
| 158 | F | B | 0.7651 | |
| 159 | V | B | 0.2233 | |
| 160 | S | B | 0.0620 | |
| 161 | H | B | 0.1165 | |
| 162 | Y | B | 0.0000 | |
| 163 | V | B | 0.0000 | |
| 164 | F | B | 0.0000 | |
| 165 | R | B | -0.3399 | |
| 166 | W | B | 0.0000 | |
| 167 | R | B | 0.0000 | |
| 168 | T | B | -0.4562 | |
| 169 | A | B | 0.0000 | |
| 170 | M | B | 0.0000 | |
| 171 | N | B | 0.0000 | |
| 172 | E | B | -0.9124 | |
| 173 | Y | B | -0.1829 | |
| 174 | Y | B | 0.0000 | |
| 175 | M | B | -0.6371 | |
| 176 | A | B | -0.4436 | |
| 177 | N | B | -0.9001 | |
| 178 | W | B | 0.0000 | |
| 179 | Q | B | -2.0784 | |
| 180 | Q | B | -2.3775 | |
| 181 | L | B | 0.0000 | |
| 182 | R | B | -2.1310 | |
| 183 | H | B | -2.3185 | |
| 184 | I | B | -1.7340 | |
| 185 | E | B | -2.1885 | |
| 186 | G | B | -1.2844 | |
| 187 | A | B | 0.0000 | |
| 188 | A | B | 0.0000 | |
| 189 | Q | B | -1.0675 | |
| 190 | R | B | -1.1709 | |
| 191 | V | B | 0.0000 | |
| 192 | Q | B | 0.0000 | |
| 193 | E | B | -0.9333 | |
| 194 | D | B | 0.0000 | |
| 195 | T | B | 0.0000 | |
| 196 | M | B | -0.6870 | |
| 197 | R | B | -1.6120 | |
| 198 | F | B | 0.0000 | |
| 199 | A | B | 0.0000 | |
| 200 | S | B | -0.7128 | |
| 201 | T | B | -0.8261 | |
| 202 | L | B | -0.1669 | |
| 203 | E | B | 0.0000 | |
| 204 | N | B | -0.9806 | |
| 205 | M | B | 0.0000 | |
| 206 | G | B | -0.0629 | |
| 207 | V | B | 0.3932 | |
| 208 | S | B | 0.0000 | |
| 209 | F | B | 1.3099 | |
| 210 | I | B | 1.3955 | |
| 211 | N | B | 1.3609 | |
| 212 | A | B | 0.0000 | |
| 213 | I | B | 2.7917 | |
| 214 | M | B | 2.0391 | |
| 215 | T | B | 0.0000 | |
| 216 | L | B | 1.9566 | |
| 217 | I | B | 2.7392 | |
| 218 | A | B | 1.4922 | |
| 219 | F | B | 0.0000 | |
| 220 | L | B | 1.2815 | |
| 221 | P | B | 0.6320 | |
| 222 | V | B | 0.6546 | |
| 223 | L | B | 0.0000 | |
| 224 | V | B | 0.9424 | |
| 225 | T | B | 0.3577 | |
| 226 | L | B | 0.0000 | |
| 227 | S | B | 0.0000 | |
| 228 | A | B | 0.1777 | |
| 229 | H | B | -0.3602 | |
| 230 | V | B | 0.0000 | |
| 231 | P | B | 0.0000 | |
| 232 | E | B | 0.3146 | |
| 233 | L | B | 0.0000 | |
| 234 | P | B | 0.0000 | |
| 235 | I | B | 2.8728 | |
| 236 | I | B | 2.9873 | |
| 237 | G | B | 1.4732 | |
| 238 | H | B | 0.9356 | |
| 239 | I | B | 1.5770 | |
| 240 | P | B | 0.9836 | |
| 241 | Y | B | 1.9335 | |
| 242 | G | B | 0.0000 | |
| 243 | L | B | 0.0000 | |
| 244 | V | B | 0.0000 | |
| 245 | I | B | 2.4382 | |
| 246 | A | B | 1.8372 | |
| 247 | A | B | 1.5685 | |
| 248 | I | B | 2.3786 | |
| 249 | V | B | 2.8709 | |
| 250 | W | B | 1.9137 | |
| 251 | S | B | 0.0000 | |
| 252 | L | B | 2.5682 | |
| 253 | M | B | 2.0197 | |
| 254 | G | B | 0.0000 | |
| 255 | T | B | 1.2229 | |
| 256 | G | B | 1.3086 | |
| 257 | L | B | 1.5831 | |
| 258 | L | B | 0.0000 | |
| 259 | A | B | 1.5875 | |
| 260 | V | B | 2.4248 | |
| 261 | V | B | 1.8368 | |
| 262 | G | B | 1.3635 | |
| 263 | I | B | 1.7205 | |
| 264 | K | B | -0.5753 | |
| 265 | L | B | -0.5586 | |
| 266 | P | B | -0.5681 | |
| 267 | G | B | -1.0114 | |
| 268 | L | B | -1.4414 | |
| 269 | E | B | -2.1082 | |
| 270 | F | B | -1.6309 | |
| 271 | K | B | -1.8760 | |
| 272 | N | B | 0.0000 | |
| 273 | Q | B | -2.1831 | |
| 274 | R | B | -2.5781 | |
| 275 | V | B | -1.4632 | |
| 276 | E | B | 0.0000 | |
| 277 | A | B | -1.6421 | |
| 278 | A | B | -1.1045 | |
| 279 | Y | B | 0.0000 | |
| 280 | R | B | -1.3910 | |
| 281 | K | B | -1.2019 | |
| 282 | E | B | 0.0000 | |
| 283 | L | B | 0.0000 | |
| 284 | V | B | -0.2345 | |
| 285 | Y | B | -0.3707 | |
| 286 | G | B | 0.0000 | |
| 287 | E | B | -2.2092 | |
| 288 | D | B | -2.8720 | |
| 289 | D | B | -2.6584 | |
| 290 | A | B | -2.1252 | |
| 291 | T | B | -1.3740 | |
| 292 | R | B | -1.6321 | |
| 293 | A | B | -1.2862 | |
| 294 | T | B | -0.9669 | |
| 295 | P | B | -1.2623 | |
| 296 | P | B | -1.4970 | |
| 297 | T | B | -1.5839 | |
| 298 | V | B | 0.0000 | |
| 299 | R | B | -3.0021 | |
| 300 | E | B | -2.8503 | |
| 301 | L | B | -1.5135 | |
| 302 | F | B | 0.0000 | |
| 303 | S | B | -1.9593 | |
| 304 | A | B | -1.4682 | |
| 305 | V | B | 0.0000 | |
| 306 | R | B | -2.1207 | |
| 307 | K | B | -2.5103 | |
| 308 | N | B | -2.1486 | |
| 309 | Y | B | -1.2011 | |
| 310 | F | B | -0.6425 | |
| 311 | R | B | -1.5163 | |
| 312 | L | B | 0.0000 | |
| 313 | Y | B | 0.8700 | |
| 314 | F | B | 1.9574 | |
| 315 | H | B | 0.9074 | |
| 316 | Y | B | 1.3759 | |
| 317 | M | B | 1.9913 | |
| 318 | Y | B | 2.2180 | |
| 319 | F | B | 1.8676 | |
| 320 | N | B | 0.0000 | |
| 321 | I | B | 1.9419 | |
| 322 | A | B | 0.0000 | |
| 323 | R | B | 0.3494 | |
| 324 | I | B | 0.0000 | |
| 325 | L | B | 1.1368 | |
| 326 | Y | B | 0.0000 | |
| 327 | L | B | 0.6566 | |
| 328 | Q | B | 0.5083 | |
| 329 | V | B | 0.8860 | |
| 330 | D | B | 0.0000 | |
| 331 | N | B | 0.0000 | |
| 332 | V | B | 0.0000 | |
| 333 | F | B | 0.5345 | |
| 334 | G | B | 0.0000 | |
| 335 | L | B | 0.0000 | |
| 336 | F | B | 0.6316 | |
| 337 | L | B | 0.0000 | |
| 338 | L | B | 0.0000 | |
| 339 | F | B | 0.0000 | |
| 340 | P | B | 0.1596 | |
| 341 | S | B | 0.0000 | |
| 342 | I | B | 0.0000 | |
| 343 | V | B | 0.0000 | |
| 344 | A | B | 0.0000 | |
| 345 | G | B | -0.5509 | |
| 346 | T | B | 0.0000 | |
| 347 | I | B | 0.0000 | |
| 348 | T | B | -0.2179 | |
| 349 | L | B | 0.0000 | |
| 350 | G | B | 0.0000 | |
| 351 | L | B | 0.0974 | |
| 352 | M | B | 0.0000 | |
| 353 | T | B | -0.0688 | |
| 354 | Q | B | 0.0000 | |
| 355 | I | B | 0.0000 | |
| 356 | T | B | -0.2220 | |
| 357 | N | B | -0.1933 | |
| 358 | V | B | 0.0000 | |
| 359 | F | B | 0.0000 | |
| 360 | G | B | 0.0000 | |
| 361 | Q | B | -0.5711 | |
| 362 | V | B | 0.0524 | |
| 363 | R | B | -0.2199 | |
| 364 | G | B | -0.2134 | |
| 365 | A | B | 0.0000 | |
| 366 | F | B | 0.4659 | |
| 367 | Q | B | -0.3535 | |
| 368 | Y | B | 0.2101 | |
| 369 | L | B | 0.6074 | |
| 370 | I | B | 0.2000 | |
| 371 | N | B | -0.6777 | |
| 372 | S | B | 0.0000 | |
| 373 | W | B | 0.4709 | |
| 374 | T | B | -0.0823 | |
| 375 | T | B | -0.2840 | |
| 376 | L | B | 0.3678 | |
| 377 | V | B | -0.1668 | |
| 378 | E | B | -1.6322 | |
| 379 | L | B | 0.0000 | |
| 380 | M | B | -0.1588 | |
| 381 | S | B | -0.8892 | |
| 382 | I | B | 0.0000 | |
| 383 | Y | B | -1.1307 | |
| 384 | K | B | -2.3257 | |
| 385 | R | B | -1.8000 | |
| 386 | L | B | 0.0000 | |
| 387 | R | B | -2.6480 | |
| 388 | S | B | -2.1880 | |
| 389 | F | B | 0.0000 | |
| 390 | E | B | -2.6994 | |
| 391 | H | B | -3.1435 | |
| 392 | E | B | -3.1979 | |
| 393 | L | B | -2.3047 | |
| 394 | D | B | -2.8376 | |
| 7 | Q | C | -1.2208 | |
| 8 | V | C | 0.0000 | |
| 9 | Q | C | -1.0509 | |
| 10 | L | C | 0.0000 | |
| 11 | V | C | 1.0834 | |
| 12 | E | C | 0.1097 | |
| 13 | S | C | -0.4050 | |
| 14 | G | C | -1.0254 | |
| 15 | G | C | -0.7282 | |
| 16 | G | C | -0.1025 | |
| 17 | L | C | 1.0839 | |
| 18 | V | C | 0.4047 | |
| 19 | Q | C | -1.0944 | |
| 20 | A | C | -1.3575 | |
| 21 | G | C | -1.5387 | |
| 22 | G | C | -1.1798 | |
| 23 | S | C | -1.2792 | |
| 24 | L | C | -1.0794 | |
| 25 | R | C | -1.9267 | |
| 26 | L | C | 0.0000 | |
| 27 | S | C | -0.3262 | |
| 28 | C | C | 0.0000 | |
| 29 | A | C | -0.1477 | |
| 30 | A | C | -0.2472 | |
| 31 | S | C | -0.5819 | |
| 32 | G | C | -0.3514 | |
| 33 | F | C | 1.2140 | |
| 34 | P | C | 0.7085 | |
| 35 | V | C | 0.0000 | |
| 36 | I | C | 0.7837 | |
| 37 | A | C | 0.2837 | |
| 38 | N | C | -0.2250 | |
| 39 | V | C | -0.2181 | |
| 40 | M | C | 0.0000 | |
| 41 | Y | C | 0.0000 | |
| 42 | W | C | 0.0000 | |
| 43 | Y | C | 0.0000 | |
| 44 | R | C | 0.0000 | |
| 45 | Q | C | -1.7306 | |
| 46 | A | C | -1.7889 | |
| 47 | P | C | -1.3403 | |
| 48 | G | C | -1.8911 | |
| 49 | K | C | -3.1659 | |
| 50 | E | C | -3.3071 | |
| 51 | R | C | -2.2966 | |
| 52 | E | C | -1.6832 | |
| 53 | W | C | 0.0000 | |
| 54 | V | C | 0.0000 | |
| 55 | A | C | 0.0000 | |
| 56 | A | C | 0.0000 | |
| 57 | I | C | 0.0000 | |
| 58 | D | C | 0.0000 | |
| 59 | S | C | -0.3520 | |
| 60 | S | C | -0.8027 | |
| 61 | G | C | -1.0976 | |
| 62 | E | C | -1.6944 | |
| 63 | Y | C | -0.0841 | |
| 64 | A | C | -0.0676 | |
| 65 | Y | C | -0.0861 | |
| 66 | Y | C | -0.9144 | |
| 67 | A | C | 0.0000 | |
| 68 | D | C | -2.4326 | |
| 69 | S | C | -1.6563 | |
| 70 | V | C | 0.0000 | |
| 71 | K | C | -2.6089 | |
| 72 | G | C | -1.8592 | |
| 73 | R | C | -1.6548 | |
| 74 | F | C | 0.0000 | |
| 75 | T | C | -0.9661 | |
| 76 | I | C | 0.0000 | |
| 77 | S | C | -0.6492 | |
| 78 | R | C | -1.0241 | |
| 79 | D | C | -1.3161 | |
| 80 | N | C | -1.2614 | |
| 81 | A | C | -1.1966 | |
| 82 | K | C | -2.1572 | |
| 83 | N | C | -1.2231 | |
| 84 | T | C | 0.0000 | |
| 85 | V | C | 0.0000 | |
| 86 | Y | C | -0.6079 | |
| 87 | L | C | 0.0000 | |
| 88 | Q | C | -1.4528 | |
| 89 | M | C | 0.0000 | |
| 90 | N | C | -1.9342 | |
| 91 | S | C | -1.5740 | |
| 92 | L | C | 0.0000 | |
| 93 | K | C | -2.8365 | |
| 94 | P | C | -2.1529 | |
| 95 | E | C | -2.4979 | |
| 96 | D | C | 0.0000 | |
| 97 | T | C | -0.9312 | |
| 98 | A | C | -0.9546 | |
| 99 | V | C | -0.4477 | |
| 100 | Y | C | 0.0000 | |
| 101 | Y | C | -0.1354 | |
| 102 | C | C | 0.0000 | |
| 103 | Y | C | 0.0000 | |
| 104 | V | C | 0.0000 | |
| 105 | K | C | -1.4193 | |
| 106 | V | C | -0.6710 | |
| 107 | G | C | -0.9930 | |
| 108 | S | C | -0.9958 | |
| 109 | H | C | -0.8834 | |
| 110 | Y | C | -0.7582 | |
| 111 | W | C | -0.0477 | |
| 112 | G | C | 0.0000 | |
| 113 | Q | C | -0.8206 | |
| 114 | G | C | -0.6023 | |
| 115 | T | C | 0.0000 | |
| 116 | Q | C | -0.9459 | |
| 117 | V | C | 0.0000 | |
| 118 | T | C | -0.1523 | |
| 119 | V | C | 0.0000 | |
| 120 | S | C | -0.7268 | |
| 121 | A | C | -0.8860 | |
| 8 | V | D | 0.1131 | |
| 9 | Q | D | -0.7801 | |
| 10 | L | D | 0.0000 | |
| 11 | V | D | 0.1043 | |
| 12 | E | D | 0.0000 | |
| 13 | S | D | -0.7601 | |
| 14 | G | D | -1.1038 | |
| 15 | G | D | -0.9480 | |
| 16 | G | D | -0.1630 | |
| 17 | L | D | 0.9651 | |
| 18 | V | D | 0.1446 | |
| 19 | Q | D | -1.1537 | |
| 20 | A | D | -1.4516 | |
| 21 | G | D | -1.4355 | |
| 22 | G | D | -1.0594 | |
| 23 | S | D | -1.1338 | |
| 24 | L | D | -1.0039 | |
| 25 | R | D | -2.3043 | |
| 26 | L | D | 0.0000 | |
| 27 | S | D | -0.5446 | |
| 28 | C | D | 0.0000 | |
| 29 | A | D | -0.4604 | |
| 30 | A | D | -0.3547 | |
| 31 | S | D | -0.4332 | |
| 32 | G | D | 0.0996 | |
| 33 | F | D | 1.6832 | |
| 34 | P | D | 0.7156 | |
| 35 | V | D | 0.0000 | |
| 36 | I | D | 1.3126 | |
| 37 | A | D | 0.6240 | |
| 38 | N | D | 0.0110 | |
| 39 | V | D | -0.0372 | |
| 40 | M | D | 0.0000 | |
| 41 | Y | D | 0.0000 | |
| 42 | W | D | 0.0000 | |
| 43 | Y | D | 0.0000 | |
| 44 | R | D | 0.0000 | |
| 45 | Q | D | -1.9322 | |
| 46 | A | D | -2.0042 | |
| 47 | P | D | -1.4968 | |
| 48 | G | D | -1.9009 | |
| 49 | K | D | -3.1861 | |
| 50 | E | D | -3.3330 | |
| 51 | R | D | -2.3461 | |
| 52 | E | D | -1.8202 | |
| 53 | W | D | 0.0000 | |
| 54 | V | D | 0.0000 | |
| 55 | A | D | 0.0000 | |
| 56 | A | D | 0.0000 | |
| 57 | I | D | 0.0000 | |
| 58 | D | D | 0.0000 | |
| 59 | S | D | -0.1674 | |
| 60 | S | D | -0.8935 | |
| 61 | G | D | -1.5901 | |
| 62 | E | D | -1.8731 | |
| 63 | Y | D | -0.2018 | |
| 64 | A | D | -0.1905 | |
| 65 | Y | D | -0.3041 | |
| 66 | Y | D | -0.9658 | |
| 67 | A | D | 0.0000 | |
| 68 | D | D | -2.4537 | |
| 69 | S | D | -1.6632 | |
| 70 | V | D | 0.0000 | |
| 71 | K | D | -2.6095 | |
| 72 | G | D | -1.7882 | |
| 73 | R | D | -1.4572 | |
| 74 | F | D | 0.0000 | |
| 75 | T | D | -1.0369 | |
| 76 | I | D | 0.0000 | |
| 77 | S | D | -0.9085 | |
| 78 | R | D | -1.2197 | |
| 79 | D | D | -1.4138 | |
| 80 | N | D | -1.3215 | |
| 81 | A | D | -1.1772 | |
| 82 | K | D | -2.2061 | |
| 83 | N | D | -1.1091 | |
| 84 | T | D | 0.0000 | |
| 85 | V | D | 0.0000 | |
| 86 | Y | D | -0.7443 | |
| 87 | L | D | 0.0000 | |
| 88 | Q | D | -1.8436 | |
| 89 | M | D | 0.0000 | |
| 90 | N | D | -1.5470 | |
| 91 | S | D | -1.2238 | |
| 92 | L | D | 0.0000 | |
| 93 | K | D | -2.7402 | |
| 94 | P | D | -2.0802 | |
| 95 | E | D | -2.4402 | |
| 96 | D | D | 0.0000 | |
| 97 | T | D | -0.9612 | |
| 98 | A | D | 0.0000 | |
| 99 | V | D | -0.7442 | |
| 100 | Y | D | 0.0000 | |
| 101 | Y | D | -0.3044 | |
| 102 | C | D | 0.0000 | |
| 103 | Y | D | 0.0000 | |
| 104 | V | D | 0.0000 | |
| 105 | K | D | -1.3677 | |
| 106 | V | D | -0.3542 | |
| 107 | G | D | -0.8348 | |
| 108 | S | D | -0.7898 | |
| 109 | H | D | -0.7648 | |
| 110 | Y | D | -0.2600 | |
| 111 | W | D | -0.0941 | |
| 112 | G | D | 0.0000 | |
| 113 | Q | D | -1.2420 | |
| 114 | G | D | -0.8941 | |
| 115 | T | D | 0.0000 | |
| 116 | Q | D | -1.3245 | |
| 117 | V | D | 0.0000 | |
| 118 | T | D | -0.3294 | |
| 119 | V | D | 0.0000 | |
| 120 | S | D | -0.7605 | |
| 121 | A | D | -0.8603 |
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 | 0.2697 | 7.5459 | View | CSV | PDB |
| 4.5 | 0.2421 | 7.5459 | View | CSV | PDB |
| 5.0 | 0.2089 | 7.5459 | View | CSV | PDB |
| 5.5 | 0.178 | 7.5459 | View | CSV | PDB |
| 6.0 | 0.1569 | 7.5459 | View | CSV | PDB |
| 6.5 | 0.15 | 7.5459 | View | CSV | PDB |
| 7.0 | 0.1566 | 7.5459 | View | CSV | PDB |
| 7.5 | 0.172 | 7.5459 | View | CSV | PDB |
| 8.0 | 0.1921 | 7.5459 | View | CSV | PDB |
| 8.5 | 0.2152 | 7.5459 | View | CSV | PDB |
| 9.0 | 0.241 | 7.5459 | View | CSV | PDB |