| Chain sequence(s) |
A: HANHAHGASYYSAAGNNSFSNAAAASFSQAAQTAHFNNAATAYNNAANAATSSYANHAFHGSNNSFSTFYGSSYSKYHNFNSSYGSFANSSKFSNHNYWNMFFSHSNYNHGFHKNQIDPQQQMASYKQDPQQFSFSFIYSYASSYPFIDPTFFFYFADSYYGIYQQMMQQDDIQAMFFPKFQQFQKQIQTAMFQSYYDYYYIHHFGQQAYTTKYYVQYAKKFPKADFQTIKQYVQKTTTVIVYNANGSYYSATVYAYSYTDWIMSNIDKISSKYSSMGKKSPYSTYYGIYNVSNDSVPKDVSPYSKSFADDPNVGSKYKKDKQGFYDTFAYSYARRNPDYANIYYMRYVSRYEKAYEEGGKKPDPYSGYKGVFKEYDALVERYRPVVERLGELYRRLGPEGFTVYLARDFTRKVPRVPVDVLVRFSRRLGELGELGGGLPEEQRLPHFLDYAYLVLTELHVLHLRDPVDPRVEEVHTSSPWDMLEGFLALEPSDDYEPEPFDESKFTFGPEICELSPEERFEVRLRFLVELLRTYPNVSDEKLDKILELFDKFIEECCSSKDKEKCFKELNPKFIKKVKELCS
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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:13:19)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/afcbaf89898a81d/tmp/folded.pdb (00:13:19)
[INFO] Main: Simulation completed successfully. (00:20:31)
|
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 | H | A | -1.6268 | |
| 2 | A | A | -1.4441 | |
| 3 | N | A | -2.4733 | |
| 4 | H | A | -2.4571 | |
| 5 | A | A | -1.5257 | |
| 6 | H | A | -1.6042 | |
| 7 | G | A | -1.2837 | |
| 8 | A | A | -0.5948 | |
| 9 | S | A | -0.4133 | |
| 10 | Y | A | 0.1268 | |
| 11 | Y | A | -0.0799 | |
| 12 | S | A | -0.2725 | |
| 13 | A | A | 0.0093 | |
| 14 | A | A | -0.2817 | |
| 15 | G | A | -0.8901 | |
| 16 | N | A | -1.6746 | |
| 17 | N | A | -1.8852 | |
| 18 | S | A | -0.9568 | |
| 19 | F | A | 0.0000 | |
| 20 | S | A | 0.0000 | |
| 21 | N | A | -0.5828 | |
| 22 | A | A | 0.0000 | |
| 23 | A | A | 0.0000 | |
| 24 | A | A | 0.0000 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | 0.0000 | |
| 27 | F | A | 0.0000 | |
| 28 | S | A | 0.0000 | |
| 29 | Q | A | 0.0000 | |
| 30 | A | A | 0.0000 | |
| 31 | A | A | 0.0000 | |
| 32 | Q | A | 0.0000 | |
| 33 | T | A | -0.5522 | |
| 34 | A | A | 0.0000 | |
| 35 | H | A | -1.1220 | |
| 36 | F | A | -0.4408 | |
| 37 | N | A | -1.3718 | |
| 38 | N | A | -1.5149 | |
| 39 | A | A | 0.0000 | |
| 40 | A | A | -0.9347 | |
| 41 | T | A | -1.0532 | |
| 42 | A | A | -1.0873 | |
| 43 | Y | A | -0.9152 | |
| 44 | N | A | -1.6712 | |
| 45 | N | A | -1.7134 | |
| 46 | A | A | 0.0000 | |
| 47 | A | A | -1.4900 | |
| 48 | N | A | -1.8303 | |
| 49 | A | A | -0.8636 | |
| 50 | A | A | 0.0000 | |
| 51 | T | A | -0.8082 | |
| 52 | S | A | -0.7717 | |
| 53 | S | A | -0.7441 | |
| 54 | Y | A | -0.5469 | |
| 55 | A | A | -0.6497 | |
| 56 | N | A | -1.5438 | |
| 57 | H | A | -1.6932 | |
| 58 | A | A | -1.0484 | |
| 59 | F | A | -0.7325 | |
| 60 | H | A | -1.8198 | |
| 61 | G | A | -1.6085 | |
| 62 | S | A | -1.5069 | |
| 63 | N | A | -1.9541 | |
| 64 | N | A | -1.9015 | |
| 65 | S | A | -1.0988 | |
| 66 | F | A | -0.6282 | |
| 67 | S | A | 0.0000 | |
| 68 | T | A | -0.7270 | |
| 69 | F | A | 0.1431 | |
| 70 | Y | A | 0.0000 | |
| 71 | G | A | 0.0000 | |
| 72 | S | A | -0.6950 | |
| 73 | S | A | -0.6565 | |
| 74 | Y | A | 0.0000 | |
| 75 | S | A | -1.8290 | |
| 76 | K | A | -2.4152 | |
| 77 | Y | A | -1.8181 | |
| 78 | H | A | -2.2759 | |
| 79 | N | A | -2.2920 | |
| 80 | F | A | 0.0000 | |
| 81 | N | A | -2.5171 | |
| 82 | S | A | -1.5529 | |
| 83 | S | A | -1.2440 | |
| 84 | Y | A | 0.0000 | |
| 85 | G | A | -1.1518 | |
| 86 | S | A | -1.0156 | |
| 87 | F | A | -1.1237 | |
| 88 | A | A | 0.0000 | |
| 89 | N | A | -1.9247 | |
| 90 | S | A | -1.0714 | |
| 91 | S | A | -1.1608 | |
| 92 | K | A | -1.7803 | |
| 93 | F | A | 0.0000 | |
| 94 | S | A | -1.5702 | |
| 95 | N | A | -1.5766 | |
| 96 | H | A | -1.9117 | |
| 97 | N | A | -1.6327 | |
| 98 | Y | A | 0.0000 | |
| 99 | W | A | 0.0000 | |
| 100 | N | A | -1.7638 | |
| 101 | M | A | 0.0000 | |
| 102 | F | A | 0.0000 | |
| 103 | F | A | -0.7993 | |
| 104 | S | A | -1.2371 | |
| 105 | H | A | -1.1215 | |
| 106 | S | A | 0.0000 | |
| 107 | N | A | -1.7027 | |
| 108 | Y | A | 0.0000 | |
| 109 | N | A | -1.2127 | |
| 110 | H | A | -1.3143 | |
| 111 | G | A | -1.1044 | |
| 112 | F | A | -0.7535 | |
| 113 | H | A | -2.1441 | |
| 114 | K | A | -2.9358 | |
| 115 | N | A | -2.8954 | |
| 116 | Q | A | -2.5200 | |
| 117 | I | A | -1.5717 | |
| 118 | D | A | -2.2027 | |
| 119 | P | A | 0.0000 | |
| 120 | Q | A | -2.2281 | |
| 121 | Q | A | -2.3351 | |
| 122 | Q | A | -1.7860 | |
| 123 | M | A | 0.0000 | |
| 124 | A | A | -1.8014 | |
| 125 | S | A | -2.0553 | |
| 126 | Y | A | 0.0000 | |
| 127 | K | A | -2.5690 | |
| 128 | Q | A | -2.6435 | |
| 129 | D | A | -2.4026 | |
| 130 | P | A | -1.9800 | |
| 131 | Q | A | -2.1882 | |
| 132 | Q | A | -2.1314 | |
| 133 | F | A | 0.0000 | |
| 134 | S | A | -1.0678 | |
| 135 | F | A | 0.0000 | |
| 136 | S | A | -0.4079 | |
| 137 | F | A | 0.0000 | |
| 138 | I | A | 0.0000 | |
| 139 | Y | A | 0.1655 | |
| 140 | S | A | -0.0598 | |
| 141 | Y | A | 0.0000 | |
| 142 | A | A | 0.0000 | |
| 143 | S | A | 0.0000 | |
| 144 | S | A | -0.6249 | |
| 145 | Y | A | 0.0000 | |
| 146 | P | A | 0.0000 | |
| 147 | F | A | 0.0000 | |
| 148 | I | A | 0.0000 | |
| 149 | D | A | 0.0000 | |
| 150 | P | A | 0.0000 | |
| 151 | T | A | 0.0000 | |
| 152 | F | A | 0.0000 | |
| 153 | F | A | 0.0000 | |
| 154 | F | A | 0.0000 | |
| 155 | Y | A | -0.3874 | |
| 156 | F | A | 0.0000 | |
| 157 | A | A | -0.6697 | |
| 158 | D | A | -1.7026 | |
| 159 | S | A | -0.8208 | |
| 160 | Y | A | 0.0000 | |
| 161 | Y | A | -0.6888 | |
| 162 | G | A | -0.9701 | |
| 163 | I | A | 0.0000 | |
| 164 | Y | A | 0.0000 | |
| 165 | Q | A | -1.3835 | |
| 166 | Q | A | -1.5491 | |
| 167 | M | A | 0.0000 | |
| 168 | M | A | -1.3311 | |
| 169 | Q | A | -2.3388 | |
| 170 | Q | A | -3.0971 | |
| 171 | D | A | -3.3273 | |
| 172 | D | A | -3.1742 | |
| 173 | I | A | -1.9951 | |
| 174 | Q | A | -1.7043 | |
| 175 | A | A | -0.9026 | |
| 176 | M | A | -0.8167 | |
| 177 | F | A | 0.0000 | |
| 178 | F | A | 0.5338 | |
| 179 | P | A | -0.6271 | |
| 180 | K | A | -1.2202 | |
| 181 | F | A | -0.8684 | |
| 182 | Q | A | -2.0439 | |
| 183 | Q | A | -2.4117 | |
| 184 | F | A | 0.0000 | |
| 185 | Q | A | -1.8926 | |
| 186 | K | A | -2.6303 | |
| 187 | Q | A | -1.7052 | |
| 188 | I | A | 0.0000 | |
| 189 | Q | A | -0.9227 | |
| 190 | T | A | -0.8056 | |
| 191 | A | A | 0.0000 | |
| 192 | M | A | 0.0000 | |
| 193 | F | A | 0.0000 | |
| 194 | Q | A | -0.3036 | |
| 195 | S | A | 0.0000 | |
| 196 | Y | A | 0.0000 | |
| 197 | Y | A | 0.0000 | |
| 198 | D | A | 0.0000 | |
| 199 | Y | A | 0.0000 | |
| 200 | Y | A | 0.0000 | |
| 201 | Y | A | 0.0000 | |
| 202 | I | A | 0.0000 | |
| 203 | H | A | -0.8305 | |
| 204 | H | A | -0.7076 | |
| 205 | F | A | -0.2212 | |
| 206 | G | A | -0.7705 | |
| 207 | Q | A | -1.2227 | |
| 208 | Q | A | -1.5297 | |
| 209 | A | A | -0.7981 | |
| 210 | Y | A | 0.0000 | |
| 211 | T | A | -1.0215 | |
| 212 | T | A | 0.0000 | |
| 213 | K | A | -0.4085 | |
| 214 | Y | A | 0.0000 | |
| 215 | Y | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | Q | A | -0.4551 | |
| 218 | Y | A | 0.0000 | |
| 219 | A | A | 0.0000 | |
| 220 | K | A | -1.1916 | |
| 221 | K | A | -1.0628 | |
| 222 | F | A | 0.0000 | |
| 223 | P | A | 0.0000 | |
| 224 | K | A | -2.6842 | |
| 225 | A | A | 0.0000 | |
| 226 | D | A | -2.5804 | |
| 227 | F | A | -1.5993 | |
| 228 | Q | A | -2.1163 | |
| 229 | T | A | 0.0000 | |
| 230 | I | A | 0.0000 | |
| 231 | K | A | -2.3101 | |
| 232 | Q | A | -1.9678 | |
| 233 | Y | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | Q | A | -1.5753 | |
| 236 | K | A | -1.0243 | |
| 237 | T | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | T | A | -0.1912 | |
| 240 | V | A | 0.0000 | |
| 241 | I | A | 0.0000 | |
| 242 | V | A | 0.1612 | |
| 243 | Y | A | 0.2891 | |
| 244 | N | A | 0.0000 | |
| 245 | A | A | 0.0000 | |
| 246 | N | A | 0.0000 | |
| 247 | G | A | 0.0000 | |
| 248 | S | A | 0.0000 | |
| 249 | Y | A | 0.0000 | |
| 250 | Y | A | 0.0000 | |
| 251 | S | A | -0.0101 | |
| 252 | A | A | 0.0000 | |
| 253 | T | A | 0.0000 | |
| 254 | V | A | 0.0000 | |
| 255 | Y | A | 0.3095 | |
| 256 | A | A | 0.0000 | |
| 257 | Y | A | -0.0173 | |
| 258 | S | A | -0.4026 | |
| 259 | Y | A | 0.0000 | |
| 260 | T | A | 0.0000 | |
| 261 | D | A | -1.6387 | |
| 262 | W | A | -0.7802 | |
| 263 | I | A | 0.0000 | |
| 264 | M | A | -0.9355 | |
| 265 | S | A | -0.9517 | |
| 266 | N | A | -1.2758 | |
| 267 | I | A | -1.4476 | |
| 268 | D | A | -2.8088 | |
| 269 | K | A | -3.0901 | |
| 270 | I | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | S | A | -1.2912 | |
| 273 | K | A | -1.1680 | |
| 274 | Y | A | 0.0000 | |
| 275 | S | A | -1.0043 | |
| 276 | S | A | -1.2144 | |
| 277 | M | A | -1.1941 | |
| 278 | G | A | -1.7492 | |
| 279 | K | A | -2.6200 | |
| 280 | K | A | -2.7738 | |
| 281 | S | A | -1.5109 | |
| 282 | P | A | -0.8984 | |
| 283 | Y | A | 0.0000 | |
| 284 | S | A | -0.9215 | |
| 285 | T | A | 0.0000 | |
| 286 | Y | A | 0.0000 | |
| 287 | Y | A | 0.0000 | |
| 288 | G | A | 0.0000 | |
| 289 | I | A | 0.0000 | |
| 290 | Y | A | -0.4310 | |
| 291 | N | A | -1.2372 | |
| 292 | V | A | -0.8132 | |
| 293 | S | A | -0.9899 | |
| 294 | N | A | -1.4769 | |
| 295 | D | A | 0.0000 | |
| 296 | S | A | -0.7986 | |
| 297 | V | A | -0.9014 | |
| 298 | P | A | -1.6348 | |
| 299 | K | A | -2.5815 | |
| 300 | D | A | -2.4079 | |
| 301 | V | A | -1.2713 | |
| 302 | S | A | -0.9643 | |
| 303 | P | A | -0.7866 | |
| 304 | Y | A | -0.6565 | |
| 305 | S | A | -1.3899 | |
| 306 | K | A | -2.3586 | |
| 307 | S | A | -1.5309 | |
| 308 | F | A | 0.0000 | |
| 309 | A | A | 0.0000 | |
| 310 | D | A | -2.5103 | |
| 311 | D | A | -2.2539 | |
| 312 | P | A | -1.9222 | |
| 313 | N | A | -2.0839 | |
| 314 | V | A | 0.0000 | |
| 315 | G | A | -2.1713 | |
| 316 | S | A | -2.6790 | |
| 317 | K | A | -3.3331 | |
| 318 | Y | A | 0.0000 | |
| 319 | K | A | -3.9941 | |
| 320 | K | A | -4.0005 | |
| 321 | D | A | -3.6931 | |
| 322 | K | A | -3.3940 | |
| 323 | Q | A | -2.0869 | |
| 324 | G | A | -1.5678 | |
| 325 | F | A | 0.0000 | |
| 326 | Y | A | 0.0000 | |
| 327 | D | A | 0.0000 | |
| 328 | T | A | -0.3051 | |
| 329 | F | A | 0.0000 | |
| 330 | A | A | 0.0000 | |
| 331 | Y | A | 0.0000 | |
| 332 | S | A | 0.0000 | |
| 333 | Y | A | 0.0000 | |
| 334 | A | A | 0.0000 | |
| 335 | R | A | -1.0453 | |
| 336 | R | A | -1.0047 | |
| 337 | N | A | -0.8616 | |
| 338 | P | A | -1.2912 | |
| 339 | D | A | -2.3328 | |
| 340 | Y | A | -1.0163 | |
| 341 | A | A | 0.0000 | |
| 342 | N | A | -0.6134 | |
| 343 | I | A | 0.0000 | |
| 344 | Y | A | 0.0000 | |
| 345 | Y | A | 0.0000 | |
| 346 | M | A | 0.0000 | |
| 347 | R | A | 0.0000 | |
| 348 | Y | A | 0.0000 | |
| 349 | V | A | 0.0000 | |
| 350 | S | A | -0.8583 | |
| 351 | R | A | -1.3828 | |
| 352 | Y | A | 0.0000 | |
| 353 | E | A | -2.3133 | |
| 354 | K | A | -2.7152 | |
| 355 | A | A | -2.1917 | |
| 356 | Y | A | 0.0000 | |
| 357 | E | A | -3.7358 | |
| 358 | E | A | -3.8759 | |
| 359 | G | A | 0.0000 | |
| 360 | G | A | -3.3498 | |
| 361 | K | A | -3.6655 | |
| 362 | K | A | -3.2948 | |
| 363 | P | A | -1.9808 | |
| 364 | D | A | -2.3294 | |
| 365 | P | A | -2.5988 | |
| 366 | Y | A | -1.5566 | |
| 367 | S | A | -1.3023 | |
| 368 | G | A | -2.1261 | |
| 369 | Y | A | 0.0000 | |
| 370 | K | A | -1.9899 | |
| 371 | G | A | -1.7627 | |
| 372 | V | A | -1.4017 | |
| 373 | F | A | -1.7227 | |
| 374 | K | A | -3.1015 | |
| 375 | E | A | -3.0513 | |
| 376 | Y | A | 0.0000 | |
| 377 | D | A | -3.2166 | |
| 378 | A | A | -2.5363 | |
| 379 | L | A | -2.1073 | |
| 380 | V | A | 0.0000 | |
| 381 | E | A | -2.7020 | |
| 382 | R | A | -2.8152 | |
| 383 | Y | A | 0.0000 | |
| 384 | R | A | -2.5167 | |
| 385 | P | A | -2.1731 | |
| 386 | V | A | -1.5697 | |
| 387 | V | A | 0.0000 | |
| 388 | E | A | -3.2187 | |
| 389 | R | A | -2.9954 | |
| 390 | L | A | -1.9238 | |
| 391 | G | A | 0.0000 | |
| 392 | E | A | -2.4550 | |
| 393 | L | A | -1.5397 | |
| 394 | Y | A | -2.2728 | |
| 395 | R | A | -2.9979 | |
| 396 | R | A | -2.3287 | |
| 397 | L | A | -0.8614 | |
| 398 | G | A | -1.5681 | |
| 399 | P | A | -2.0296 | |
| 400 | E | A | -2.1976 | |
| 401 | G | A | -1.0683 | |
| 402 | F | A | 0.0000 | |
| 403 | T | A | 0.0000 | |
| 404 | V | A | 0.0000 | |
| 405 | Y | A | -0.2119 | |
| 406 | L | A | 0.0000 | |
| 407 | A | A | 0.0000 | |
| 408 | R | A | -0.7883 | |
| 409 | D | A | -1.1687 | |
| 410 | F | A | 0.0000 | |
| 411 | T | A | 0.0000 | |
| 412 | R | A | -1.4318 | |
| 413 | K | A | 0.0000 | |
| 414 | V | A | 0.0000 | |
| 415 | P | A | 0.0000 | |
| 416 | R | A | -0.6478 | |
| 417 | V | A | 0.0000 | |
| 418 | P | A | -0.3594 | |
| 419 | V | A | -0.4728 | |
| 420 | D | A | -1.0154 | |
| 421 | V | A | -0.3261 | |
| 422 | L | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | R | A | -1.0631 | |
| 425 | F | A | 0.0000 | |
| 426 | S | A | 0.0000 | |
| 427 | R | A | -1.5196 | |
| 428 | R | A | -1.1939 | |
| 429 | L | A | 0.0000 | |
| 430 | G | A | -1.7753 | |
| 431 | E | A | -2.5439 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | E | A | -2.1993 | |
| 435 | L | A | -1.3267 | |
| 436 | G | A | 0.0000 | |
| 437 | G | A | -2.1700 | |
| 438 | G | A | -1.5076 | |
| 439 | L | A | -1.2819 | |
| 440 | P | A | -1.7333 | |
| 441 | E | A | -3.2130 | |
| 442 | E | A | -3.3045 | |
| 443 | Q | A | -2.5134 | |
| 444 | R | A | -2.3153 | |
| 445 | L | A | 0.0000 | |
| 446 | P | A | -1.2807 | |
| 447 | H | A | -1.3651 | |
| 448 | F | A | 0.0000 | |
| 449 | L | A | 0.0000 | |
| 450 | D | A | -0.5272 | |
| 451 | Y | A | -0.4023 | |
| 452 | A | A | 0.0000 | |
| 453 | Y | A | 0.0000 | |
| 454 | L | A | 0.0775 | |
| 455 | V | A | 0.0000 | |
| 456 | L | A | 0.0000 | |
| 457 | T | A | 0.0000 | |
| 458 | E | A | -0.1110 | |
| 459 | L | A | 0.0000 | |
| 460 | H | A | 0.0000 | |
| 461 | V | A | 0.0000 | |
| 462 | L | A | -0.3122 | |
| 463 | H | A | 0.0000 | |
| 464 | L | A | -0.8688 | |
| 465 | R | A | -1.5289 | |
| 466 | D | A | -2.0285 | |
| 467 | P | A | -1.2733 | |
| 468 | V | A | -0.4058 | |
| 469 | D | A | 0.0000 | |
| 470 | P | A | -1.3395 | |
| 471 | R | A | -1.7025 | |
| 472 | V | A | 0.0000 | |
| 473 | E | A | -2.5896 | |
| 474 | E | A | -2.8181 | |
| 475 | V | A | 0.0000 | |
| 476 | H | A | -1.4880 | |
| 477 | T | A | -1.1523 | |
| 478 | S | A | -0.5642 | |
| 479 | S | A | -0.2975 | |
| 480 | P | A | 0.0000 | |
| 481 | W | A | 0.0000 | |
| 482 | D | A | -0.6983 | |
| 483 | M | A | 0.0000 | |
| 484 | L | A | 0.0000 | |
| 485 | E | A | -0.2794 | |
| 486 | G | A | -0.4614 | |
| 487 | F | A | 0.0000 | |
| 488 | L | A | 0.4620 | |
| 489 | A | A | -0.0764 | |
| 490 | L | A | -0.9369 | |
| 491 | E | A | -2.1676 | |
| 492 | P | A | -2.1489 | |
| 493 | S | A | -2.3022 | |
| 494 | D | A | -3.3786 | |
| 495 | D | A | -3.0857 | |
| 496 | Y | A | -2.5276 | |
| 497 | E | A | -2.9401 | |
| 498 | P | A | -2.0855 | |
| 499 | E | A | -2.1182 | |
| 500 | P | A | -1.4163 | |
| 501 | F | A | -1.3233 | |
| 502 | D | A | -2.3174 | |
| 503 | E | A | -2.6872 | |
| 504 | S | A | -1.9117 | |
| 505 | K | A | -2.2558 | |
| 506 | F | A | 0.0000 | |
| 507 | T | A | -1.1830 | |
| 508 | F | A | -0.8904 | |
| 509 | G | A | -1.5021 | |
| 510 | P | A | -2.3065 | |
| 511 | E | A | -2.5479 | |
| 512 | I | A | 0.0000 | |
| 513 | C | A | -1.6969 | |
| 514 | E | A | -2.2729 | |
| 515 | L | A | -1.4997 | |
| 516 | S | A | -1.3001 | |
| 517 | P | A | -1.5737 | |
| 518 | E | A | -2.5565 | |
| 519 | E | A | -1.9146 | |
| 520 | R | A | -1.6759 | |
| 521 | F | A | -1.6744 | |
| 522 | E | A | -1.8631 | |
| 523 | V | A | -0.8511 | |
| 524 | R | A | -1.0267 | |
| 525 | L | A | 0.0000 | |
| 526 | R | A | -1.3249 | |
| 527 | F | A | 0.0000 | |
| 528 | L | A | 0.0000 | |
| 529 | V | A | 0.0000 | |
| 530 | E | A | -0.9048 | |
| 531 | L | A | 0.0000 | |
| 532 | L | A | 0.0000 | |
| 533 | R | A | -1.0870 | |
| 534 | T | A | 0.0000 | |
| 535 | Y | A | -0.8395 | |
| 536 | P | A | -1.3716 | |
| 537 | N | A | -1.7798 | |
| 538 | V | A | 0.0000 | |
| 539 | S | A | -2.1914 | |
| 540 | D | A | -3.5153 | |
| 541 | E | A | -3.6162 | |
| 542 | K | A | -2.8252 | |
| 543 | L | A | 0.0000 | |
| 544 | D | A | -3.4225 | |
| 545 | K | A | -3.0391 | |
| 546 | I | A | 0.0000 | |
| 547 | L | A | 0.0000 | |
| 548 | E | A | -2.8962 | |
| 549 | L | A | -2.0268 | |
| 550 | F | A | 0.0000 | |
| 551 | D | A | -2.8735 | |
| 552 | K | A | -3.4755 | |
| 553 | F | A | 0.0000 | |
| 554 | I | A | 0.0000 | |
| 555 | E | A | -3.4553 | |
| 556 | E | A | -3.3575 | |
| 557 | C | A | 0.0000 | |
| 558 | C | A | -2.5347 | |
| 559 | S | A | -1.8618 | |
| 560 | S | A | -2.5293 | |
| 561 | K | A | -2.6376 | |
| 562 | D | A | -2.8012 | |
| 563 | K | A | -3.4716 | |
| 564 | E | A | -4.1934 | |
| 565 | K | A | -4.1090 | |
| 566 | C | A | -3.2824 | |
| 567 | F | A | 0.0000 | |
| 568 | K | A | -3.7963 | |
| 569 | E | A | -3.4948 | |
| 570 | L | A | -2.2566 | |
| 571 | N | A | 0.0000 | |
| 572 | P | A | -2.4079 | |
| 573 | K | A | -3.0159 | |
| 574 | F | A | 0.0000 | |
| 575 | I | A | 0.0000 | |
| 576 | K | A | -3.4974 | |
| 577 | K | A | -3.0713 | |
| 578 | V | A | 0.0000 | |
| 579 | K | A | -2.5386 | |
| 580 | E | A | -2.9630 | |
| 581 | L | A | -1.9048 | |
| 582 | C | A | -1.1524 | |
| 583 | S | A | -1.1807 |
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 | -0.9869 | 3.4209 | View | CSV | PDB |
| 4.5 | -1.0614 | 3.422 | View | CSV | PDB |
| 5.0 | -1.15 | 3.4255 | View | CSV | PDB |
| 5.5 | -1.2354 | 3.4353 | View | CSV | PDB |
| 6.0 | -1.2996 | 3.459 | View | CSV | PDB |
| 6.5 | -1.33 | 3.502 | View | CSV | PDB |
| 7.0 | -1.3278 | 3.5606 | View | CSV | PDB |
| 7.5 | -1.3043 | 3.6271 | View | CSV | PDB |
| 8.0 | -1.2688 | 3.6966 | View | CSV | PDB |
| 8.5 | -1.2236 | 3.7669 | View | CSV | PDB |
| 9.0 | -1.1682 | 3.8369 | 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