| Chain sequence(s) | MAASAKKKNKKGKTISLTDFLAEDGGTGGGSTYVPKPVSWADETDDLEGDVSTTWHSNDDDVYRAPPIDRSILPTAPRAAREPNIDRSRLPKSPPYTAFLGNLPYDVTEDSIKDFFRGLNISAVRLPREPSNPDRLKGFGYAEFEDLDSLLSALSLNEESLGNRRIRVDVADQAQDKDRDDRSFGRDRNRDSDKTDTDWRARPATDSFDDYPPRRGDDSFGDKYRDRYESDRYRDGYRDGYRDGPRRDMDRYGGRDRYDDRGSRDYDRGYDSRIGSGRRAFGSGYRRDDDYRGGGDRYEDRYDRRDDRSWSSRDDYSRDDYRRDDRGPPQRPKLNLKPRSTPKEDDSSASTSQSSRAASIFGGAKPVDTAAREREVEERLQKEQEKLQRQLDEPKLDRRPRERHPSWRSEETQERERSRTGSESSQTGTSATSGRNTRRRESEKSLENETLNKEEDCHSPTSKPPKPDQPLKVMPAPPPKENAWVKRSSNPPARSQSSDTEQPSPTSGGGKVAPAQPSEEGPSRKDETKVDGVSTTKGQTGHSSRGPGDGGSRDHWKELDRKDGKKDQDSRSAPEPKKSEENRASKFSSASKYAALSVDGEDEDEGDDCTE input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| 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 partially or entirely disordered. Average 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 (00:06:40)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/5f6a7f1a89c7a4/tmp/folded.pdb (00:06:40)
[INFO] Main: Simulation completed successfully. (00:17:32)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 1.0728 | |
| 2 | A | A | 0.5486 | |
| 3 | A | A | 0.0481 | |
| 4 | S | A | -0.6986 | |
| 5 | A | A | -1.4841 | |
| 6 | K | A | -3.1603 | |
| 7 | K | A | -3.9250 | |
| 8 | K | A | -4.2712 | |
| 9 | N | A | -4.1310 | |
| 10 | K | A | -4.1831 | |
| 11 | K | A | -3.7443 | |
| 12 | G | A | -2.5949 | |
| 13 | K | A | -2.2808 | |
| 14 | T | A | -0.5295 | |
| 15 | I | A | 0.8532 | |
| 16 | S | A | 0.9306 | |
| 17 | L | A | 2.1761 | |
| 18 | T | A | 0.8295 | |
| 19 | D | A | -0.3332 | |
| 20 | F | A | 1.5690 | |
| 21 | L | A | 1.1783 | |
| 22 | A | A | -0.6670 | |
| 23 | E | A | -2.3435 | |
| 24 | D | A | -2.4648 | |
| 25 | G | A | -1.7061 | |
| 26 | G | A | -1.7593 | |
| 27 | T | A | -1.0046 | |
| 28 | G | A | -1.0179 | |
| 29 | G | A | -0.9826 | |
| 30 | G | A | -0.7619 | |
| 31 | S | A | 0.0086 | |
| 32 | T | A | 0.7293 | |
| 33 | Y | A | 1.7340 | |
| 34 | V | A | 1.7514 | |
| 35 | P | A | 0.3327 | |
| 36 | K | A | -0.8231 | |
| 37 | P | A | 0.0206 | |
| 38 | V | A | 0.7369 | |
| 39 | S | A | 0.1824 | |
| 40 | W | A | 0.6214 | |
| 41 | A | A | -0.8459 | |
| 42 | D | A | -2.8200 | |
| 43 | E | A | -2.9153 | |
| 44 | T | A | -2.5541 | |
| 45 | D | A | -3.7887 | |
| 46 | D | A | -3.3458 | |
| 47 | L | A | -1.2547 | |
| 48 | E | A | -2.3873 | |
| 49 | G | A | -1.9002 | |
| 50 | D | A | -1.4356 | |
| 51 | V | A | 0.4333 | |
| 52 | S | A | -0.1548 | |
| 53 | T | A | 0.0236 | |
| 54 | T | A | 0.3101 | |
| 55 | W | A | 0.4350 | |
| 56 | H | A | -1.3971 | |
| 57 | S | A | -1.6698 | |
| 58 | N | A | -3.0369 | |
| 59 | D | A | -3.7229 | |
| 60 | D | A | -3.4852 | |
| 61 | D | A | -2.5447 | |
| 62 | V | A | 0.3500 | |
| 63 | Y | A | 0.4976 | |
| 64 | R | A | -1.4872 | |
| 65 | A | A | -0.3515 | |
| 66 | P | A | -0.3590 | |
| 67 | P | A | -0.3978 | |
| 68 | I | A | 0.8471 | |
| 69 | D | A | -1.1549 | |
| 70 | R | A | -1.3969 | |
| 71 | S | A | -0.1794 | |
| 72 | I | A | 1.6039 | |
| 73 | L | A | 1.2779 | |
| 74 | P | A | 0.4175 | |
| 75 | T | A | -0.4371 | |
| 76 | A | A | -0.8654 | |
| 77 | P | A | -1.5614 | |
| 78 | R | A | -2.8877 | |
| 79 | A | A | -1.8559 | |
| 80 | A | A | -2.0166 | |
| 81 | R | A | -3.6848 | |
| 82 | E | A | -3.4489 | |
| 83 | P | A | -2.5994 | |
| 84 | N | A | -2.8293 | |
| 85 | I | A | -2.3696 | |
| 86 | D | A | -3.5746 | |
| 87 | R | A | -3.5631 | |
| 88 | S | A | -2.8273 | |
| 89 | R | A | -3.5771 | |
| 90 | L | A | 0.0000 | |
| 91 | P | A | -2.1493 | |
| 92 | K | A | -2.4526 | |
| 93 | S | A | -1.5005 | |
| 94 | P | A | -1.5284 | |
| 95 | P | A | -1.3911 | |
| 96 | Y | A | 0.0000 | |
| 97 | T | A | -1.0431 | |
| 98 | A | A | 0.0000 | |
| 99 | F | A | -0.1287 | |
| 100 | L | A | 0.0000 | |
| 101 | G | A | 0.0000 | |
| 102 | N | A | -1.0882 | |
| 103 | L | A | 0.0000 | |
| 104 | P | A | 0.0000 | |
| 105 | Y | A | -1.3024 | |
| 106 | D | A | -2.0164 | |
| 107 | V | A | 0.0000 | |
| 108 | T | A | -1.7683 | |
| 109 | E | A | -2.4397 | |
| 110 | D | A | -3.1750 | |
| 111 | S | A | -2.5883 | |
| 112 | I | A | 0.0000 | |
| 113 | K | A | -3.6595 | |
| 114 | D | A | -3.5913 | |
| 115 | F | A | -2.0528 | |
| 116 | F | A | 0.0000 | |
| 117 | R | A | -3.0486 | |
| 118 | G | A | -1.8598 | |
| 119 | L | A | -2.0531 | |
| 120 | N | A | -2.5408 | |
| 121 | I | A | -1.4739 | |
| 122 | S | A | -0.9889 | |
| 123 | A | A | -0.9978 | |
| 124 | V | A | -1.1890 | |
| 125 | R | A | -1.6419 | |
| 126 | L | A | -1.0611 | |
| 127 | P | A | -1.4308 | |
| 128 | R | A | -2.9727 | |
| 129 | E | A | -2.7453 | |
| 130 | P | A | -1.7843 | |
| 131 | S | A | -1.5199 | |
| 132 | N | A | -2.6570 | |
| 133 | P | A | -2.7231 | |
| 134 | D | A | -3.5615 | |
| 135 | R | A | -3.7132 | |
| 136 | L | A | 0.0000 | |
| 137 | K | A | -2.1047 | |
| 138 | G | A | 0.0000 | |
| 139 | F | A | 0.6464 | |
| 140 | G | A | 0.0000 | |
| 141 | Y | A | 0.1606 | |
| 142 | A | A | 0.0000 | |
| 143 | E | A | -1.1575 | |
| 144 | F | A | 0.0000 | |
| 145 | E | A | -2.8331 | |
| 146 | D | A | -2.5272 | |
| 147 | L | A | -1.9580 | |
| 148 | D | A | -2.0932 | |
| 149 | S | A | 0.0000 | |
| 150 | L | A | 0.0000 | |
| 151 | L | A | -0.6487 | |
| 152 | S | A | -0.3397 | |
| 153 | A | A | 0.0000 | |
| 154 | L | A | -0.5291 | |
| 155 | S | A | -0.4989 | |
| 156 | L | A | -0.5783 | |
| 157 | N | A | -2.0907 | |
| 158 | E | A | -3.0135 | |
| 159 | E | A | -2.7910 | |
| 160 | S | A | -2.4350 | |
| 161 | L | A | -1.5880 | |
| 162 | G | A | -1.7077 | |
| 163 | N | A | -1.9789 | |
| 164 | R | A | -2.4243 | |
| 165 | R | A | -3.5991 | |
| 166 | I | A | 0.0000 | |
| 167 | R | A | -2.6662 | |
| 168 | V | A | 0.0000 | |
| 169 | D | A | -1.3519 | |
| 170 | V | A | -0.8147 | |
| 171 | A | A | -1.0741 | |
| 172 | D | A | -2.3557 | |
| 173 | Q | A | -1.6727 | |
| 174 | A | A | -2.2417 | |
| 175 | Q | A | -3.5676 | |
| 176 | D | A | -4.8392 | |
| 177 | K | A | -5.3840 | |
| 178 | D | A | -5.8371 | |
| 179 | R | A | -6.0794 | |
| 180 | D | A | -5.2724 | |
| 181 | D | A | -4.9528 | |
| 182 | R | A | -4.4473 | |
| 183 | S | A | -2.0845 | |
| 184 | F | A | 0.3050 | |
| 185 | G | A | -1.7141 | |
| 186 | R | A | -3.5947 | |
| 187 | D | A | -4.6063 | |
| 188 | R | A | -4.5819 | |
| 189 | N | A | -4.3572 | |
| 190 | R | A | -4.7707 | |
| 191 | D | A | -4.2584 | |
| 192 | S | A | -3.4157 | |
| 193 | D | A | -4.0299 | |
| 194 | K | A | -3.9425 | |
| 195 | T | A | -2.6056 | |
| 196 | D | A | -2.8770 | |
| 197 | T | A | -1.9552 | |
| 198 | D | A | -2.0385 | |
| 199 | W | A | -0.8076 | |
| 200 | R | A | -2.1370 | |
| 201 | A | A | -1.9484 | |
| 202 | R | A | -2.3558 | |
| 203 | P | A | -1.4564 | |
| 204 | A | A | -1.0181 | |
| 205 | T | A | -1.0713 | |
| 206 | D | A | -1.6319 | |
| 207 | S | A | -0.8614 | |
| 208 | F | A | 0.0683 | |
| 209 | D | A | -1.7766 | |
| 210 | D | A | -1.6944 | |
| 211 | Y | A | -0.2818 | |
| 212 | P | A | -0.8429 | |
| 213 | P | A | -1.4403 | |
| 214 | R | A | -2.8835 | |
| 215 | R | A | -3.7106 | |
| 216 | G | A | -3.3464 | |
| 217 | D | A | -3.1348 | |
| 218 | D | A | -2.5404 | |
| 219 | S | A | -1.0011 | |
| 220 | F | A | 0.2440 | |
| 221 | G | A | -0.9027 | |
| 222 | D | A | -2.3911 | |
| 223 | K | A | -2.6342 | |
| 224 | Y | A | -1.7102 | |
| 225 | R | A | -3.0600 | |
| 226 | D | A | -3.3769 | |
| 227 | R | A | -2.9214 | |
| 228 | Y | A | -1.5211 | |
| 229 | E | A | -2.7173 | |
| 230 | S | A | -2.2120 | |
| 231 | D | A | -3.0741 | |
| 232 | R | A | -3.0450 | |
| 233 | Y | A | -1.5684 | |
| 234 | R | A | -2.7756 | |
| 235 | D | A | -2.4613 | |
| 236 | G | A | -1.2513 | |
| 237 | Y | A | -0.7214 | |
| 238 | R | A | -2.1886 | |
| 239 | D | A | -2.3592 | |
| 240 | G | A | -1.5262 | |
| 241 | Y | A | -0.5353 | |
| 242 | R | A | -2.2645 | |
| 243 | D | A | -2.7254 | |
| 244 | G | A | -2.2393 | |
| 245 | P | A | -2.3717 | |
| 246 | R | A | -3.4874 | |
| 247 | R | A | -3.6976 | |
| 248 | D | A | -3.2189 | |
| 249 | M | A | -1.6316 | |
| 250 | D | A | -2.2660 | |
| 251 | R | A | -2.0117 | |
| 252 | Y | A | -0.3564 | |
| 253 | G | A | -1.1692 | |
| 254 | G | A | -2.0934 | |
| 255 | R | A | -3.6645 | |
| 256 | D | A | -3.8260 | |
| 257 | R | A | -2.9241 | |
| 258 | Y | A | -1.3169 | |
| 259 | D | A | -2.9949 | |
| 260 | D | A | -3.3402 | |
| 261 | R | A | -3.5493 | |
| 262 | G | A | -2.7097 | |
| 263 | S | A | -2.1683 | |
| 264 | R | A | -2.8872 | |
| 265 | D | A | -2.7608 | |
| 266 | Y | A | -1.4310 | |
| 267 | D | A | -2.5702 | |
| 268 | R | A | -2.6154 | |
| 269 | G | A | -1.3927 | |
| 270 | Y | A | 0.0183 | |
| 271 | D | A | -0.7347 | |
| 272 | S | A | -0.9167 | |
| 273 | R | A | -1.2084 | |
| 274 | I | A | 0.5956 | |
| 275 | G | A | -0.0195 | |
| 276 | S | A | -0.8164 | |
| 277 | G | A | -1.7455 | |
| 278 | R | A | -2.9995 | |
| 279 | R | A | -2.4402 | |
| 280 | A | A | -0.4093 | |
| 281 | F | A | 1.2779 | |
| 282 | G | A | 0.4111 | |
| 283 | S | A | -0.1434 | |
| 284 | G | A | -0.5033 | |
| 285 | Y | A | -0.6600 | |
| 286 | R | A | -3.0243 | |
| 287 | R | A | -4.0881 | |
| 288 | D | A | -4.3694 | |
| 289 | D | A | -4.3636 | |
| 290 | D | A | -3.0849 | |
| 291 | Y | A | -1.2655 | |
| 292 | R | A | -2.0237 | |
| 293 | G | A | -1.3924 | |
| 294 | G | A | -1.9838 | |
| 295 | G | A | -2.1643 | |
| 296 | D | A | -2.8293 | |
| 297 | R | A | -2.8208 | |
| 298 | Y | A | -1.5395 | |
| 299 | E | A | -2.8554 | |
| 300 | D | A | -3.3559 | |
| 301 | R | A | -3.1414 | |
| 302 | Y | A | -1.6857 | |
| 303 | D | A | -3.1905 | |
| 304 | R | A | -4.2620 | |
| 305 | R | A | -4.5036 | |
| 306 | D | A | -4.6586 | |
| 307 | D | A | -4.1174 | |
| 308 | R | A | -2.9329 | |
| 309 | S | A | -1.2931 | |
| 310 | W | A | 0.0107 | |
| 311 | S | A | -0.7824 | |
| 312 | S | A | -1.9904 | |
| 313 | R | A | -2.9610 | |
| 314 | D | A | -3.5441 | |
| 315 | D | A | -3.3102 | |
| 316 | Y | A | -1.6027 | |
| 317 | S | A | -2.0817 | |
| 318 | R | A | -3.5687 | |
| 319 | D | A | -4.0906 | |
| 320 | D | A | -4.0824 | |
| 321 | Y | A | -2.8100 | |
| 322 | R | A | -4.8634 | |
| 323 | R | A | -5.3275 | |
| 324 | D | A | -4.8223 | |
| 325 | D | A | -4.7211 | |
| 326 | R | A | -4.5579 | |
| 327 | G | A | -2.9933 | |
| 328 | P | A | -1.9963 | |
| 329 | P | A | -1.8806 | |
| 330 | Q | A | -2.7281 | |
| 331 | R | A | -2.8854 | |
| 332 | P | A | -2.0786 | |
| 333 | K | A | -1.9563 | |
| 334 | L | A | -0.0569 | |
| 335 | N | A | -0.9070 | |
| 336 | L | A | -0.3593 | |
| 337 | K | A | -1.8845 | |
| 338 | P | A | -1.8740 | |
| 339 | R | A | -2.3613 | |
| 340 | S | A | -1.4955 | |
| 341 | T | A | -1.4361 | |
| 342 | P | A | -2.0439 | |
| 343 | K | A | -3.4116 | |
| 344 | E | A | -3.9949 | |
| 345 | D | A | -4.0678 | |
| 346 | D | A | -3.4097 | |
| 347 | S | A | -1.5603 | |
| 348 | S | A | -0.7068 | |
| 349 | A | A | -0.2101 | |
| 350 | S | A | -0.3038 | |
| 351 | T | A | -0.4942 | |
| 352 | S | A | -0.9179 | |
| 353 | Q | A | -1.4804 | |
| 354 | S | A | -1.4345 | |
| 355 | S | A | -1.4779 | |
| 356 | R | A | -1.9813 | |
| 357 | A | A | -0.6387 | |
| 358 | A | A | 0.3112 | |
| 359 | S | A | 1.0061 | |
| 360 | I | A | 2.6983 | |
| 361 | F | A | 2.5324 | |
| 362 | G | A | 0.5498 | |
| 363 | G | A | -0.4736 | |
| 364 | A | A | -0.5699 | |
| 365 | K | A | -1.7395 | |
| 366 | P | A | -0.7571 | |
| 367 | V | A | 0.0555 | |
| 368 | D | A | -1.8611 | |
| 369 | T | A | -1.9533 | |
| 370 | A | A | -2.0860 | |
| 371 | A | A | -2.7983 | |
| 372 | R | A | -4.3052 | |
| 373 | E | A | -4.8863 | |
| 374 | R | A | -5.1830 | |
| 375 | E | A | -5.0664 | |
| 376 | V | A | -3.9958 | |
| 377 | E | A | -5.2085 | |
| 378 | E | A | -5.7154 | |
| 379 | R | A | -5.0853 | |
| 380 | L | A | -3.3215 | |
| 381 | Q | A | -4.3933 | |
| 382 | K | A | -5.3793 | |
| 383 | E | A | -5.1102 | |
| 384 | Q | A | -4.6963 | |
| 385 | E | A | -5.2687 | |
| 386 | K | A | -4.6157 | |
| 387 | L | A | -3.1325 | |
| 388 | Q | A | -3.8922 | |
| 389 | R | A | -4.7079 | |
| 390 | Q | A | -3.4617 | |
| 391 | L | A | -1.8308 | |
| 392 | D | A | -3.7590 | |
| 393 | E | A | -3.5099 | |
| 394 | P | A | -2.3292 | |
| 395 | K | A | -2.4483 | |
| 396 | L | A | -1.2108 | |
| 397 | D | A | -2.9960 | |
| 398 | R | A | -3.8172 | |
| 399 | R | A | -3.8755 | |
| 400 | P | A | -3.4305 | |
| 401 | R | A | -4.2004 | |
| 402 | E | A | -4.2437 | |
| 403 | R | A | -3.8123 | |
| 404 | H | A | -2.6196 | |
| 405 | P | A | -1.5846 | |
| 406 | S | A | -1.0861 | |
| 407 | W | A | -0.5712 | |
| 408 | R | A | -2.3399 | |
| 409 | S | A | -2.3972 | |
| 410 | E | A | -3.6579 | |
| 411 | E | A | -4.0152 | |
| 412 | T | A | -3.5064 | |
| 413 | Q | A | -4.2201 | |
| 414 | E | A | -4.9167 | |
| 415 | R | A | -4.9801 | |
| 416 | E | A | -4.7115 | |
| 417 | R | A | -4.2634 | |
| 418 | S | A | -3.0152 | |
| 419 | R | A | -2.9291 | |
| 420 | T | A | -1.4567 | |
| 421 | G | A | -1.4419 | |
| 422 | S | A | -1.5726 | |
| 423 | E | A | -2.2117 | |
| 424 | S | A | -1.4916 | |
| 425 | S | A | -1.3099 | |
| 426 | Q | A | -1.5042 | |
| 427 | T | A | -1.0480 | |
| 428 | G | A | -0.8706 | |
| 429 | T | A | -0.5671 | |
| 430 | S | A | -0.3559 | |
| 431 | A | A | -0.2600 | |
| 432 | T | A | -0.2979 | |
| 433 | S | A | -1.0668 | |
| 434 | G | A | -1.7126 | |
| 435 | R | A | -2.8338 | |
| 436 | N | A | -2.8337 | |
| 437 | T | A | -2.4260 | |
| 438 | R | A | -3.3830 | |
| 439 | R | A | -4.1798 | |
| 440 | R | A | -4.2689 | |
| 441 | E | A | -3.7591 | |
| 442 | S | A | -2.7236 | |
| 443 | E | A | -3.2110 | |
| 444 | K | A | -2.4787 | |
| 445 | S | A | -1.1269 | |
| 446 | L | A | -0.1524 | |
| 447 | E | A | -1.9818 | |
| 448 | N | A | -2.7869 | |
| 449 | E | A | -2.5645 | |
| 450 | T | A | -0.8510 | |
| 451 | L | A | 0.2163 | |
| 452 | N | A | -1.7406 | |
| 453 | K | A | -3.4120 | |
| 454 | E | A | -4.2440 | |
| 455 | E | A | -3.8036 | |
| 456 | D | A | -2.9015 | |
| 457 | C | A | -0.9749 | |
| 458 | H | A | -1.1554 | |
| 459 | S | A | -0.6838 | |
| 460 | P | A | -0.6520 | |
| 461 | T | A | -0.7208 | |
| 462 | S | A | -1.1475 | |
| 463 | K | A | -1.9862 | |
| 464 | P | A | -1.6071 | |
| 465 | P | A | -1.5797 | |
| 466 | K | A | -2.4574 | |
| 467 | P | A | -2.4480 | |
| 468 | D | A | -2.9614 | |
| 469 | Q | A | -1.8636 | |
| 470 | P | A | -0.7358 | |
| 471 | L | A | 0.8479 | |
| 472 | K | A | 0.0731 | |
| 473 | V | A | 1.7426 | |
| 474 | M | A | 1.5474 | |
| 475 | P | A | 0.6077 | |
| 476 | A | A | 0.1756 | |
| 477 | P | A | -0.5288 | |
| 478 | P | A | -0.8855 | |
| 479 | P | A | -1.7940 | |
| 480 | K | A | -3.0637 | |
| 481 | E | A | -3.1809 | |
| 482 | N | A | -1.8639 | |
| 483 | A | A | -0.4437 | |
| 484 | W | A | 0.7489 | |
| 485 | V | A | 0.9001 | |
| 486 | K | A | -1.5116 | |
| 487 | R | A | -2.4221 | |
| 488 | S | A | -1.7332 | |
| 489 | S | A | -1.7492 | |
| 490 | N | A | -1.8200 | |
| 491 | P | A | -1.0452 | |
| 492 | P | A | -0.9951 | |
| 493 | A | A | -1.0413 | |
| 494 | R | A | -2.2800 | |
| 495 | S | A | -1.8767 | |
| 496 | Q | A | -1.8831 | |
| 497 | S | A | -1.6081 | |
| 498 | S | A | -1.6215 | |
| 499 | D | A | -2.3508 | |
| 500 | T | A | -2.1355 | |
| 501 | E | A | -2.8308 | |
| 502 | Q | A | -2.2671 | |
| 503 | P | A | -1.4718 | |
| 504 | S | A | -0.7523 | |
| 505 | P | A | -0.5023 | |
| 506 | T | A | -0.4455 | |
| 507 | S | A | -0.7182 | |
| 508 | G | A | -0.9232 | |
| 509 | G | A | -1.2951 | |
| 510 | G | A | -1.2647 | |
| 511 | K | A | -1.1310 | |
| 512 | V | A | 0.8178 | |
| 513 | A | A | 0.3226 | |
| 514 | P | A | -0.1034 | |
| 515 | A | A | -0.6724 | |
| 516 | Q | A | -1.6264 | |
| 517 | P | A | -1.5209 | |
| 518 | S | A | -2.0050 | |
| 519 | E | A | -3.0856 | |
| 520 | E | A | -3.0594 | |
| 521 | G | A | -2.0263 | |
| 522 | P | A | -1.4467 | |
| 523 | S | A | -1.9150 | |
| 524 | R | A | -3.2197 | |
| 525 | K | A | -3.8913 | |
| 526 | D | A | -3.8809 | |
| 527 | E | A | -3.3753 | |
| 528 | T | A | -1.7858 | |
| 529 | K | A | -1.5874 | |
| 530 | V | A | 0.0024 | |
| 531 | D | A | -1.1071 | |
| 532 | G | A | -0.1757 | |
| 533 | V | A | 1.0533 | |
| 534 | S | A | 0.5284 | |
| 535 | T | A | -0.2597 | |
| 536 | T | A | -1.1584 | |
| 537 | K | A | -2.2931 | |
| 538 | G | A | -2.1303 | |
| 539 | Q | A | -2.0833 | |
| 540 | T | A | -1.3062 | |
| 541 | G | A | -1.3693 | |
| 542 | H | A | -1.4951 | |
| 543 | S | A | -1.2324 | |
| 544 | S | A | -1.4970 | |
| 545 | R | A | -2.2724 | |
| 546 | G | A | -1.6604 | |
| 547 | P | A | -1.4995 | |
| 548 | G | A | -1.6634 | |
| 549 | D | A | -2.4487 | |
| 550 | G | A | -1.8359 | |
| 551 | G | A | -1.8288 | |
| 552 | S | A | -2.1921 | |
| 553 | R | A | -3.1456 | |
| 554 | D | A | -3.2281 | |
| 555 | H | A | -2.3717 | |
| 556 | W | A | -1.0027 | |
| 557 | K | A | -2.0288 | |
| 558 | E | A | -2.1463 | |
| 559 | L | A | -0.9305 | |
| 560 | D | A | -2.7356 | |
| 561 | R | A | -3.6996 | |
| 562 | K | A | -4.0261 | |
| 563 | D | A | -3.6508 | |
| 564 | G | A | -2.8311 | |
| 565 | K | A | -3.5294 | |
| 566 | K | A | -3.7625 | |
| 567 | D | A | -4.0543 | |
| 568 | Q | A | -3.3988 | |
| 569 | D | A | -3.2864 | |
| 570 | S | A | -2.2946 | |
| 571 | R | A | -2.4269 | |
| 572 | S | A | -1.1744 | |
| 573 | A | A | -1.0464 | |
| 574 | P | A | -1.3748 | |
| 575 | E | A | -2.3891 | |
| 576 | P | A | -2.3978 | |
| 577 | K | A | -3.0490 | |
| 578 | K | A | -3.0265 | |
| 579 | S | A | -2.6518 | |
| 580 | E | A | -3.5340 | |
| 581 | E | A | -3.8761 | |
| 582 | N | A | -3.4700 | |
| 583 | R | A | -2.8764 | |
| 584 | A | A | -1.6460 | |
| 585 | S | A | -1.1897 | |
| 586 | K | A | -0.8721 | |
| 587 | F | A | 0.8515 | |
| 588 | S | A | 0.3354 | |
| 589 | S | A | -0.0385 | |
| 590 | A | A | -0.2165 | |
| 591 | S | A | -0.7072 | |
| 592 | K | A | -1.0224 | |
| 593 | Y | A | 0.5056 | |
| 594 | A | A | 0.5945 | |
| 595 | A | A | 1.1915 | |
| 596 | L | A | 1.8301 | |
| 597 | S | A | 1.0821 | |
| 598 | V | A | 0.9378 | |
| 599 | D | A | -1.3064 | |
| 600 | G | A | -2.2390 | |
| 601 | E | A | -3.9306 | |
| 602 | D | A | -4.0948 | |
| 603 | E | A | -4.4335 | |
| 604 | D | A | -4.3399 | |
| 605 | E | A | -3.7219 | |
| 606 | G | A | -3.1021 | |
| 607 | D | A | -3.1171 | |
| 608 | D | A | -2.6502 | |
| 609 | C | A | -1.0077 | |
| 610 | T | A | -1.0917 | |
| 611 | E | A | -1.8937 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -1.5522 | 5.9891 | View | CSV | PDB |
| 4.5 | -1.726 | 5.7718 | View | CSV | PDB |
| 5.0 | -1.9382 | 5.4783 | View | CSV | PDB |
| 5.5 | -2.158 | 5.4783 | View | CSV | PDB |
| 6.0 | -2.3571 | 5.4783 | View | CSV | PDB |
| 6.5 | -2.5167 | 5.4783 | View | CSV | PDB |
| 7.0 | -2.6349 | 5.4783 | View | CSV | PDB |
| 7.5 | -2.7225 | 5.4783 | View | CSV | PDB |
| 8.0 | -2.7896 | 5.4783 | View | CSV | PDB |
| 8.5 | -2.8349 | 5.4783 | View | CSV | PDB |
| 9.0 | -2.849 | 5.4783 | 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