| Chain sequence(s) |
A: MPVSLTPNAITAIHDGDVNLKPLLQVLEIKMIGRSQERSQERYRFLISDGVSAQHAMVAVQLNDRVKSGQFEKGSIVQLIDYICSDVKGRKLIVVLNMETIVQQSETIGNPTIFGETDTEAQKTFSGTGNIPPPNRVVFNEPMVQHSVNRAPPRGVNIQNQANNTPSFRPSVQPSYQPPASYRNHGPIMKNEAPARVIPIAALNPYQGRWAIKARVTAKGDIRRYNNAKGDGKVFSFDLLDYDGGEIRVTCFNALVDRFYDVTEVGKVYLISKGSLKPAQKNFNHLKNEWEIFLESTSTVELCPDEDGSIPKQQFSFRPISDIENAENNTILDVIGVVTSVNPSVPILRKNGMETHRRILNLKDESGKAVEVTLWGEFCNRDGRQLEEMVDSAFHPVLAIKAGKVSDFSGKSVGTISSTQLFINPDFPEAHKLRTWFDYGGKDTASFSISRDTMPGGVSRNEIRKNVSQIKEEGLGRSDKPDWITVKATISFIKTDSFCYTACPLMIGDKQCNKKVTRSGTNRWLCDRCNQESDECDYRYLLQVQIQDHTGLTWITAFQETGEEIMGCPAKKLYAMKYELEKEEEFAEIVRDRLFHQYMLKLKIKEESYGDEQRVKMTVVKVDKVNYTSESKYMLDLLVR
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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:09:01)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/48cfc177f303675/tmp/folded.pdb (00:09:01)
[INFO] Main: Simulation completed successfully. (00:11:46)
|
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 | 0.9793 | |
| 2 | P | A | 0.3322 | |
| 3 | V | A | 0.5842 | |
| 4 | S | A | 0.0343 | |
| 5 | L | A | 0.0000 | |
| 6 | T | A | -0.5110 | |
| 7 | P | A | -0.5794 | |
| 8 | N | A | -1.0683 | |
| 9 | A | A | 0.0000 | |
| 10 | I | A | 0.0000 | |
| 11 | T | A | -0.9083 | |
| 12 | A | A | -1.4254 | |
| 13 | I | A | 0.0000 | |
| 14 | H | A | -1.7430 | |
| 15 | D | A | -2.2198 | |
| 16 | G | A | -1.7532 | |
| 17 | D | A | -1.6501 | |
| 18 | V | A | -0.4817 | |
| 19 | N | A | -1.2596 | |
| 20 | L | A | -0.6957 | |
| 21 | K | A | -0.9943 | |
| 22 | P | A | 0.0000 | |
| 23 | L | A | -0.1300 | |
| 24 | L | A | 0.0000 | |
| 25 | Q | A | 0.0000 | |
| 26 | V | A | 0.0000 | |
| 27 | L | A | -1.5388 | |
| 28 | E | A | -2.8739 | |
| 29 | I | A | -2.0289 | |
| 30 | K | A | -2.0553 | |
| 31 | M | A | -0.6264 | |
| 32 | I | A | -0.4667 | |
| 33 | G | A | -1.9556 | |
| 34 | R | A | -3.0157 | |
| 35 | S | A | -2.6014 | |
| 36 | Q | A | -3.2355 | |
| 37 | E | A | -4.1193 | |
| 38 | R | A | -3.7163 | |
| 39 | S | A | -3.0464 | |
| 40 | Q | A | -2.3719 | |
| 41 | E | A | -2.0951 | |
| 42 | R | A | -1.1971 | |
| 43 | Y | A | 0.0000 | |
| 44 | R | A | -1.6476 | |
| 45 | F | A | 0.0000 | |
| 46 | L | A | -1.1705 | |
| 47 | I | A | 0.0000 | |
| 48 | S | A | 0.0000 | |
| 49 | D | A | 0.0000 | |
| 50 | G | A | 0.0846 | |
| 51 | V | A | 1.1315 | |
| 52 | S | A | 0.0000 | |
| 53 | A | A | 0.0000 | |
| 54 | Q | A | -0.0576 | |
| 55 | H | A | -0.7163 | |
| 56 | A | A | 0.0000 | |
| 57 | M | A | -0.3373 | |
| 58 | V | A | 0.0000 | |
| 59 | A | A | 0.0000 | |
| 60 | V | A | -0.7740 | |
| 61 | Q | A | -1.4950 | |
| 62 | L | A | 0.0000 | |
| 63 | N | A | 0.0000 | |
| 64 | D | A | -3.2013 | |
| 65 | R | A | -3.1124 | |
| 66 | V | A | -2.3435 | |
| 67 | K | A | -3.1691 | |
| 68 | S | A | -2.5361 | |
| 69 | G | A | -2.8801 | |
| 70 | Q | A | -3.0718 | |
| 71 | F | A | 0.0000 | |
| 72 | E | A | -3.7577 | |
| 73 | K | A | -3.7291 | |
| 74 | G | A | -2.5977 | |
| 75 | S | A | 0.0000 | |
| 76 | I | A | 0.0000 | |
| 77 | V | A | 0.0000 | |
| 78 | Q | A | -0.8825 | |
| 79 | L | A | 0.0000 | |
| 80 | I | A | -0.9584 | |
| 81 | D | A | -1.6369 | |
| 82 | Y | A | 0.0000 | |
| 83 | I | A | -0.0584 | |
| 84 | C | A | -0.5987 | |
| 85 | S | A | -1.3782 | |
| 86 | D | A | -2.8956 | |
| 87 | V | A | -1.9125 | |
| 88 | K | A | -2.7077 | |
| 89 | G | A | -2.6174 | |
| 90 | R | A | -3.2573 | |
| 91 | K | A | -2.4975 | |
| 92 | L | A | -1.0577 | |
| 93 | I | A | 0.0000 | |
| 94 | V | A | 0.0000 | |
| 95 | V | A | 0.0000 | |
| 96 | L | A | 0.0000 | |
| 97 | N | A | -1.5484 | |
| 98 | M | A | 0.0000 | |
| 99 | E | A | -1.9017 | |
| 100 | T | A | -1.2430 | |
| 101 | I | A | 0.2263 | |
| 102 | V | A | -0.5145 | |
| 103 | Q | A | -2.2683 | |
| 104 | Q | A | -2.6538 | |
| 105 | S | A | -1.8167 | |
| 106 | E | A | -2.2419 | |
| 107 | T | A | -1.3874 | |
| 108 | I | A | -0.3430 | |
| 109 | G | A | -0.6674 | |
| 110 | N | A | -0.9488 | |
| 111 | P | A | 0.2095 | |
| 112 | T | A | 0.0547 | |
| 113 | I | A | 0.2919 | |
| 114 | F | A | 0.3332 | |
| 115 | G | A | -1.3095 | |
| 116 | E | A | -2.2182 | |
| 117 | T | A | -1.9833 | |
| 118 | D | A | -2.8558 | |
| 119 | T | A | -2.1057 | |
| 120 | E | A | -2.5556 | |
| 121 | A | A | -2.0108 | |
| 122 | Q | A | -2.2366 | |
| 123 | K | A | -1.8646 | |
| 124 | T | A | -0.3346 | |
| 125 | F | A | 1.1460 | |
| 126 | S | A | 0.4747 | |
| 127 | G | A | -0.2406 | |
| 128 | T | A | -0.8531 | |
| 129 | G | A | -0.7717 | |
| 130 | N | A | -0.6011 | |
| 131 | I | A | 1.0886 | |
| 132 | P | A | 0.0741 | |
| 133 | P | A | -0.5686 | |
| 134 | P | A | -1.0294 | |
| 135 | N | A | -1.9690 | |
| 136 | R | A | -1.4751 | |
| 137 | V | A | 1.3207 | |
| 138 | V | A | 1.9019 | |
| 139 | F | A | 1.6911 | |
| 140 | N | A | -1.1318 | |
| 141 | E | A | -1.9714 | |
| 142 | P | A | -0.6965 | |
| 143 | M | A | 1.1269 | |
| 144 | V | A | 1.4258 | |
| 145 | Q | A | -0.6653 | |
| 146 | H | A | -0.9333 | |
| 147 | S | A | -0.2840 | |
| 148 | V | A | 0.4675 | |
| 149 | N | A | -1.4231 | |
| 150 | R | A | -2.1682 | |
| 151 | A | A | -1.2784 | |
| 152 | P | A | -1.0968 | |
| 153 | P | A | -1.3376 | |
| 154 | R | A | -1.8786 | |
| 155 | G | A | -0.8872 | |
| 156 | V | A | 0.9151 | |
| 157 | N | A | 0.1711 | |
| 158 | I | A | 0.8556 | |
| 159 | Q | A | -1.2567 | |
| 160 | N | A | -2.0123 | |
| 161 | Q | A | -2.2822 | |
| 162 | A | A | -1.7240 | |
| 163 | N | A | -2.1686 | |
| 164 | N | A | -2.0180 | |
| 165 | T | A | -1.1379 | |
| 166 | P | A | -0.2843 | |
| 167 | S | A | 0.1990 | |
| 168 | F | A | 0.8607 | |
| 169 | R | A | -1.1527 | |
| 170 | P | A | -0.5677 | |
| 171 | S | A | -0.1036 | |
| 172 | V | A | 0.9598 | |
| 173 | Q | A | -0.5582 | |
| 174 | P | A | -0.2734 | |
| 175 | S | A | -0.0827 | |
| 176 | Y | A | 0.5235 | |
| 177 | Q | A | -0.7990 | |
| 178 | P | A | -0.6881 | |
| 179 | P | A | -0.5448 | |
| 180 | A | A | -0.2761 | |
| 181 | S | A | -0.3390 | |
| 182 | Y | A | -0.1707 | |
| 183 | R | A | -2.2556 | |
| 184 | N | A | -2.4824 | |
| 185 | H | A | -1.9925 | |
| 186 | G | A | -1.0251 | |
| 187 | P | A | 0.1555 | |
| 188 | I | A | 1.4752 | |
| 189 | M | A | 0.3594 | |
| 190 | K | A | -1.8530 | |
| 191 | N | A | -2.3682 | |
| 192 | E | A | -2.8061 | |
| 193 | A | A | -1.8403 | |
| 194 | P | A | -1.4403 | |
| 195 | A | A | -1.6626 | |
| 196 | R | A | -1.6667 | |
| 197 | V | A | -0.0442 | |
| 198 | I | A | -0.0494 | |
| 199 | P | A | -0.3061 | |
| 200 | I | A | 0.0000 | |
| 201 | A | A | -0.5361 | |
| 202 | A | A | -0.0078 | |
| 203 | L | A | 0.0000 | |
| 204 | N | A | -0.5172 | |
| 205 | P | A | -0.3410 | |
| 206 | Y | A | 0.0225 | |
| 207 | Q | A | -0.9814 | |
| 208 | G | A | -1.7573 | |
| 209 | R | A | -2.5965 | |
| 210 | W | A | 0.0000 | |
| 211 | A | A | 0.0000 | |
| 212 | I | A | 0.0000 | |
| 213 | K | A | 0.0124 | |
| 214 | A | A | 0.0000 | |
| 215 | R | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | T | A | 0.0000 | |
| 218 | A | A | 0.0000 | |
| 219 | K | A | -1.0307 | |
| 220 | G | A | -1.4508 | |
| 221 | D | A | -2.4881 | |
| 222 | I | A | -2.0782 | |
| 223 | R | A | -3.0277 | |
| 224 | R | A | -3.4896 | |
| 225 | Y | A | -2.4019 | |
| 226 | N | A | -2.9768 | |
| 227 | N | A | -2.1980 | |
| 228 | A | A | -1.6362 | |
| 229 | K | A | -2.5640 | |
| 230 | G | A | -2.4379 | |
| 231 | D | A | -3.4020 | |
| 232 | G | A | -2.5844 | |
| 233 | K | A | -2.2888 | |
| 234 | V | A | 0.0000 | |
| 235 | F | A | 0.0000 | |
| 236 | S | A | -0.5307 | |
| 237 | F | A | 0.0000 | |
| 238 | D | A | 0.0000 | |
| 239 | L | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | D | A | 0.0000 | |
| 242 | Y | A | -0.6270 | |
| 243 | D | A | -1.5675 | |
| 244 | G | A | -0.9428 | |
| 245 | G | A | -0.9346 | |
| 246 | E | A | -0.8996 | |
| 247 | I | A | 0.0000 | |
| 248 | R | A | 0.0000 | |
| 249 | V | A | 0.0000 | |
| 250 | T | A | 0.0000 | |
| 251 | C | A | 0.0000 | |
| 252 | F | A | -0.4464 | |
| 253 | N | A | -1.3223 | |
| 254 | A | A | -1.1546 | |
| 255 | L | A | -1.1083 | |
| 256 | V | A | 0.0000 | |
| 257 | D | A | -2.5545 | |
| 258 | R | A | -2.2643 | |
| 259 | F | A | 0.0000 | |
| 260 | Y | A | -1.5873 | |
| 261 | D | A | -2.0867 | |
| 262 | V | A | -0.7413 | |
| 263 | T | A | 0.0000 | |
| 264 | E | A | -1.5065 | |
| 265 | V | A | -0.5721 | |
| 266 | G | A | -1.1918 | |
| 267 | K | A | -1.7710 | |
| 268 | V | A | 0.0000 | |
| 269 | Y | A | 0.0000 | |
| 270 | L | A | -0.0161 | |
| 271 | I | A | 0.0000 | |
| 272 | S | A | -1.3168 | |
| 273 | K | A | -1.8915 | |
| 274 | G | A | -1.3884 | |
| 275 | S | A | -0.7796 | |
| 276 | L | A | 0.0000 | |
| 277 | K | A | -1.5090 | |
| 278 | P | A | -1.7067 | |
| 279 | A | A | -2.0248 | |
| 280 | Q | A | -2.0883 | |
| 281 | K | A | -2.4521 | |
| 282 | N | A | -1.5475 | |
| 283 | F | A | 0.5610 | |
| 284 | N | A | 0.0000 | |
| 285 | H | A | -0.8091 | |
| 286 | L | A | 0.0000 | |
| 287 | K | A | -2.5030 | |
| 288 | N | A | -2.1062 | |
| 289 | E | A | -2.8530 | |
| 290 | W | A | -1.7546 | |
| 291 | E | A | 0.0000 | |
| 292 | I | A | 0.0000 | |
| 293 | F | A | -0.2577 | |
| 294 | L | A | 0.0000 | |
| 295 | E | A | -1.3070 | |
| 296 | S | A | -0.9704 | |
| 297 | T | A | -0.8021 | |
| 298 | S | A | 0.0000 | |
| 299 | T | A | -0.7856 | |
| 300 | V | A | 0.0000 | |
| 301 | E | A | -1.1098 | |
| 302 | L | A | -0.4479 | |
| 303 | C | A | -1.1041 | |
| 304 | P | A | -1.6118 | |
| 305 | D | A | -2.8821 | |
| 306 | E | A | -3.1359 | |
| 307 | D | A | -2.3188 | |
| 308 | G | A | -1.7129 | |
| 309 | S | A | -1.0555 | |
| 310 | I | A | 0.0000 | |
| 311 | P | A | -1.3477 | |
| 312 | K | A | -2.0077 | |
| 313 | Q | A | -1.1974 | |
| 314 | Q | A | -0.7597 | |
| 315 | F | A | 0.0602 | |
| 316 | S | A | -0.2561 | |
| 317 | F | A | -0.4126 | |
| 318 | R | A | -1.2490 | |
| 319 | P | A | -1.5496 | |
| 320 | I | A | 0.0000 | |
| 321 | S | A | -1.7821 | |
| 322 | D | A | -2.5460 | |
| 323 | I | A | 0.0000 | |
| 324 | E | A | -3.0212 | |
| 325 | N | A | -2.9181 | |
| 326 | A | A | 0.0000 | |
| 327 | E | A | -3.2664 | |
| 328 | N | A | -2.3158 | |
| 329 | N | A | -2.3889 | |
| 330 | T | A | -1.7339 | |
| 331 | I | A | -0.6652 | |
| 332 | L | A | 0.0000 | |
| 333 | D | A | -0.2701 | |
| 334 | V | A | 0.0000 | |
| 335 | I | A | -0.2549 | |
| 336 | G | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | V | A | 0.0000 | |
| 339 | T | A | -0.2085 | |
| 340 | S | A | -0.6731 | |
| 341 | V | A | -1.3615 | |
| 342 | N | A | -1.4184 | |
| 343 | P | A | -0.9027 | |
| 344 | S | A | -0.5061 | |
| 345 | V | A | 0.7013 | |
| 346 | P | A | 0.1382 | |
| 347 | I | A | 0.4618 | |
| 348 | L | A | 0.1166 | |
| 349 | R | A | -1.4770 | |
| 350 | K | A | -2.4226 | |
| 351 | N | A | -2.2511 | |
| 352 | G | A | -1.3258 | |
| 353 | M | A | -0.6010 | |
| 354 | E | A | -1.4235 | |
| 355 | T | A | 0.0000 | |
| 356 | H | A | -0.7493 | |
| 357 | R | A | -0.6777 | |
| 358 | R | A | 0.0000 | |
| 359 | I | A | -0.2358 | |
| 360 | L | A | 0.0000 | |
| 361 | N | A | -0.6499 | |
| 362 | L | A | 0.0000 | |
| 363 | K | A | 0.0000 | |
| 364 | D | A | 0.0000 | |
| 365 | E | A | -2.1270 | |
| 366 | S | A | -1.1563 | |
| 367 | G | A | -0.5472 | |
| 368 | K | A | -0.5477 | |
| 369 | A | A | 0.0000 | |
| 370 | V | A | 0.0000 | |
| 371 | E | A | -1.0594 | |
| 372 | V | A | 0.0000 | |
| 373 | T | A | 0.0000 | |
| 374 | L | A | 0.0000 | |
| 375 | W | A | -0.3684 | |
| 376 | G | A | -1.6155 | |
| 377 | E | A | -2.6155 | |
| 378 | F | A | -1.9370 | |
| 379 | C | A | 0.0000 | |
| 380 | N | A | -3.0503 | |
| 381 | R | A | -3.4826 | |
| 382 | D | A | -2.2042 | |
| 383 | G | A | 0.0000 | |
| 384 | R | A | -3.7479 | |
| 385 | Q | A | -2.7568 | |
| 386 | L | A | 0.0000 | |
| 387 | E | A | -2.7494 | |
| 388 | E | A | -3.0908 | |
| 389 | M | A | -1.4913 | |
| 390 | V | A | -1.2534 | |
| 391 | D | A | -2.2678 | |
| 392 | S | A | -1.1867 | |
| 393 | A | A | -0.4222 | |
| 394 | F | A | 0.2499 | |
| 395 | H | A | -0.4065 | |
| 396 | P | A | 0.0000 | |
| 397 | V | A | 0.0000 | |
| 398 | L | A | 0.0000 | |
| 399 | A | A | 0.0000 | |
| 400 | I | A | 0.0000 | |
| 401 | K | A | 0.0000 | |
| 402 | A | A | 0.0000 | |
| 403 | G | A | 0.0000 | |
| 404 | K | A | -0.9819 | |
| 405 | V | A | 0.0000 | |
| 406 | S | A | -0.8407 | |
| 407 | D | A | -1.0959 | |
| 408 | F | A | 0.4980 | |
| 409 | S | A | -1.1084 | |
| 410 | G | A | -1.6094 | |
| 411 | K | A | -1.4231 | |
| 412 | S | A | 0.0000 | |
| 413 | V | A | 0.0000 | |
| 414 | G | A | -0.0155 | |
| 415 | T | A | 0.0000 | |
| 416 | I | A | 0.5092 | |
| 417 | S | A | -0.3354 | |
| 418 | S | A | -0.1862 | |
| 419 | T | A | 0.0000 | |
| 420 | Q | A | 0.0110 | |
| 421 | L | A | 0.3505 | |
| 422 | F | A | 0.3283 | |
| 423 | I | A | 0.0661 | |
| 424 | N | A | -0.9482 | |
| 425 | P | A | -1.2242 | |
| 426 | D | A | -2.1864 | |
| 427 | F | A | -1.6658 | |
| 428 | P | A | -1.9985 | |
| 429 | E | A | -2.6444 | |
| 430 | A | A | 0.0000 | |
| 431 | H | A | -2.7464 | |
| 432 | K | A | -2.7405 | |
| 433 | L | A | 0.0000 | |
| 434 | R | A | -1.9463 | |
| 435 | T | A | -1.3522 | |
| 436 | W | A | -1.2708 | |
| 437 | F | A | 0.0000 | |
| 438 | D | A | -1.9267 | |
| 439 | Y | A | -0.1730 | |
| 440 | G | A | -1.1806 | |
| 441 | G | A | 0.0000 | |
| 442 | K | A | -2.6754 | |
| 443 | D | A | -2.6552 | |
| 444 | T | A | -1.6094 | |
| 445 | A | A | -0.3639 | |
| 446 | S | A | 0.0369 | |
| 447 | F | A | 1.4340 | |
| 448 | S | A | -0.4648 | |
| 449 | I | A | 0.0000 | |
| 450 | S | A | 0.0000 | |
| 451 | R | A | -2.5302 | |
| 452 | D | A | -2.5735 | |
| 453 | T | A | -1.3341 | |
| 454 | M | A | 0.0039 | |
| 455 | P | A | -0.2403 | |
| 456 | G | A | -0.3371 | |
| 457 | G | A | -0.4809 | |
| 458 | V | A | -0.1392 | |
| 459 | S | A | -0.9867 | |
| 460 | R | A | -2.2136 | |
| 461 | N | A | -1.3738 | |
| 462 | E | A | -2.0289 | |
| 463 | I | A | -0.4684 | |
| 464 | R | A | -0.7565 | |
| 465 | K | A | -0.7336 | |
| 466 | N | A | -1.0476 | |
| 467 | V | A | 0.0000 | |
| 468 | S | A | -1.6142 | |
| 469 | Q | A | -2.4027 | |
| 470 | I | A | 0.0000 | |
| 471 | K | A | -3.2356 | |
| 472 | E | A | -3.6833 | |
| 473 | E | A | -3.5651 | |
| 474 | G | A | -2.7138 | |
| 475 | L | A | -2.2475 | |
| 476 | G | A | 0.0000 | |
| 477 | R | A | -3.5621 | |
| 478 | S | A | -2.8097 | |
| 479 | D | A | -3.3411 | |
| 480 | K | A | -3.2084 | |
| 481 | P | A | -2.3677 | |
| 482 | D | A | -1.7190 | |
| 483 | W | A | -0.8785 | |
| 484 | I | A | 0.0000 | |
| 485 | T | A | -0.9497 | |
| 486 | V | A | 0.0000 | |
| 487 | K | A | -1.2550 | |
| 488 | A | A | 0.0000 | |
| 489 | T | A | 0.1077 | |
| 490 | I | A | 0.0000 | |
| 491 | S | A | 0.7699 | |
| 492 | F | A | 0.7790 | |
| 493 | I | A | 0.0000 | |
| 494 | K | A | -1.1386 | |
| 495 | T | A | -1.2465 | |
| 496 | D | A | -2.1350 | |
| 497 | S | A | -1.1486 | |
| 498 | F | A | 0.0000 | |
| 499 | C | A | -0.1228 | |
| 500 | Y | A | -0.2717 | |
| 501 | T | A | -1.0147 | |
| 502 | A | A | 0.0000 | |
| 503 | C | A | 0.0000 | |
| 504 | P | A | -0.4506 | |
| 505 | L | A | -0.1306 | |
| 506 | M | A | 0.3079 | |
| 507 | I | A | -0.2763 | |
| 508 | G | A | -1.2123 | |
| 509 | D | A | -2.4517 | |
| 510 | K | A | -2.2746 | |
| 511 | Q | A | -1.0143 | |
| 512 | C | A | 0.0000 | |
| 513 | N | A | -1.3189 | |
| 514 | K | A | -2.2261 | |
| 515 | K | A | -2.1462 | |
| 516 | V | A | 0.0000 | |
| 517 | T | A | -1.8097 | |
| 518 | R | A | -2.8655 | |
| 519 | S | A | -2.2131 | |
| 520 | G | A | -1.6381 | |
| 521 | T | A | -1.7689 | |
| 522 | N | A | -3.3333 | |
| 523 | R | A | -4.0966 | |
| 524 | W | A | -3.2377 | |
| 525 | L | A | -2.6624 | |
| 526 | C | A | 0.0000 | |
| 527 | D | A | -3.6624 | |
| 528 | R | A | -3.4061 | |
| 529 | C | A | -2.1911 | |
| 530 | N | A | -3.1712 | |
| 531 | Q | A | -2.9728 | |
| 532 | E | A | -3.6544 | |
| 533 | S | A | -3.0500 | |
| 534 | D | A | -3.9759 | |
| 535 | E | A | -3.3085 | |
| 536 | C | A | -2.0174 | |
| 537 | D | A | -0.9956 | |
| 538 | Y | A | -0.7465 | |
| 539 | R | A | -0.7357 | |
| 540 | Y | A | 0.0000 | |
| 541 | L | A | 0.6268 | |
| 542 | L | A | 0.0000 | |
| 543 | Q | A | -0.4697 | |
| 544 | V | A | 0.0000 | |
| 545 | Q | A | 0.3578 | |
| 546 | I | A | 0.0000 | |
| 547 | Q | A | -0.1336 | |
| 548 | D | A | -0.9266 | |
| 549 | H | A | -1.1744 | |
| 550 | T | A | -0.6044 | |
| 551 | G | A | -0.1324 | |
| 552 | L | A | 0.7330 | |
| 553 | T | A | 0.0000 | |
| 554 | W | A | 0.5049 | |
| 555 | I | A | 0.0000 | |
| 556 | T | A | 0.1231 | |
| 557 | A | A | 0.0000 | |
| 558 | F | A | 0.2963 | |
| 559 | Q | A | -1.1097 | |
| 560 | E | A | -2.4589 | |
| 561 | T | A | 0.0000 | |
| 562 | G | A | 0.0000 | |
| 563 | E | A | -2.2283 | |
| 564 | E | A | -3.1668 | |
| 565 | I | A | 0.0000 | |
| 566 | M | A | 0.0000 | |
| 567 | G | A | -1.4269 | |
| 568 | C | A | -1.1178 | |
| 569 | P | A | -1.6098 | |
| 570 | A | A | 0.0000 | |
| 571 | K | A | -1.8906 | |
| 572 | K | A | -1.9252 | |
| 573 | L | A | 0.0000 | |
| 574 | Y | A | -0.7610 | |
| 575 | A | A | -1.2501 | |
| 576 | M | A | 0.0000 | |
| 577 | K | A | -2.2358 | |
| 578 | Y | A | -0.8037 | |
| 579 | E | A | -1.6666 | |
| 580 | L | A | -0.9843 | |
| 581 | E | A | -3.2842 | |
| 582 | K | A | -4.2347 | |
| 583 | E | A | -4.5738 | |
| 584 | E | A | -4.7819 | |
| 585 | E | A | -4.7233 | |
| 586 | F | A | 0.0000 | |
| 587 | A | A | -3.4954 | |
| 588 | E | A | -4.2570 | |
| 589 | I | A | -2.5908 | |
| 590 | V | A | 0.0000 | |
| 591 | R | A | -3.0702 | |
| 592 | D | A | -2.9465 | |
| 593 | R | A | -1.5020 | |
| 594 | L | A | -0.0381 | |
| 595 | F | A | 1.2387 | |
| 596 | H | A | -0.1258 | |
| 597 | Q | A | -0.8268 | |
| 598 | Y | A | 0.0000 | |
| 599 | M | A | -1.5195 | |
| 600 | L | A | 0.0000 | |
| 601 | K | A | -0.8732 | |
| 602 | L | A | 0.0000 | |
| 603 | K | A | -0.8790 | |
| 604 | I | A | 0.0000 | |
| 605 | K | A | -2.9606 | |
| 606 | E | A | -3.4399 | |
| 607 | E | A | -3.0177 | |
| 608 | S | A | -2.4574 | |
| 609 | Y | A | -1.0693 | |
| 610 | G | A | -1.6397 | |
| 611 | D | A | -3.0512 | |
| 612 | E | A | -3.7452 | |
| 613 | Q | A | -3.8887 | |
| 614 | R | A | -3.7413 | |
| 615 | V | A | -2.3894 | |
| 616 | K | A | -2.1461 | |
| 617 | M | A | 0.0000 | |
| 618 | T | A | -0.2531 | |
| 619 | V | A | 0.0000 | |
| 620 | V | A | 0.1805 | |
| 621 | K | A | -1.6071 | |
| 622 | V | A | 0.0000 | |
| 623 | D | A | -2.6816 | |
| 624 | K | A | -2.7053 | |
| 625 | V | A | 0.0000 | |
| 626 | N | A | -1.3413 | |
| 627 | Y | A | 0.1123 | |
| 628 | T | A | -0.3539 | |
| 629 | S | A | -0.4960 | |
| 630 | E | A | -0.3764 | |
| 631 | S | A | -0.2273 | |
| 632 | K | A | -0.8254 | |
| 633 | Y | A | 0.3776 | |
| 634 | M | A | 1.4026 | |
| 635 | L | A | 1.6441 | |
| 636 | D | A | -0.0363 | |
| 637 | L | A | 1.5304 | |
| 638 | L | A | 2.3896 | |
| 639 | V | A | 1.8921 | |
| 640 | R | A | -0.3600 |
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 | -0.7436 | 4.2285 | View | CSV | PDB |
| 4.5 | -0.8375 | 4.167 | View | CSV | PDB |
| 5.0 | -0.9528 | 4.0842 | View | CSV | PDB |
| 5.5 | -1.0696 | 4.084 | View | CSV | PDB |
| 6.0 | -1.1673 | 4.084 | View | CSV | PDB |
| 6.5 | -1.2306 | 4.084 | View | CSV | PDB |
| 7.0 | -1.2576 | 4.084 | View | CSV | PDB |
| 7.5 | -1.259 | 4.084 | View | CSV | PDB |
| 8.0 | -1.2456 | 4.084 | View | CSV | PDB |
| 8.5 | -1.2205 | 4.084 | View | CSV | PDB |
| 9.0 | -1.1825 | 4.084 | 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