| Chain sequence(s) |
A: MARKLSVILILTFALSVTNPLHELKAAAFPQTTEKISPNWESGINVDLAISTRQYHLQQLFYRYGENNSLSVEGFRKLLQNIGIDKIKRIHIHHDHDHHSDHEHHSDHERHSDHEHHSEHEHHSDHDHHSHHNHAASGKNKRKALCPDHDSDSSGKDPRNSQGKGAHRPEHASGRRNVKDSVSASEVTSTVYNTVSEGTHFLETIETPRPGKLFPKDVSSSTPPSVTSKSRVSRLAGRKTNESVSEPRKGFMYSRNTNENPQECFNASKLLTSHGMGIQVPLNATEFNYLCPAIINQIDARSCLIHTSEKKAEIPPKTYSLQIAWVGGFIAISIISFLSLLGVILVPLMNRVFFKFLLSFLVALAVGTLSGDAFLHLLPHSHASHHHSHSHEEPAMEMKRGPLFSHLSSQNIEESAYFDSTWKGLTALGGLYFMFLVEHVLTLIKQFKDKKKKNQKKPENDDDVEIKKQLSKYESQLSTNEEKVDTDDRTEGYLRADSQEPSHFDSQQPAVLEEEEVMIAHAHPQEVYNEYVPRGCKNKCHSHFHDTLGQSDDLIHHHHDYHHILHHHHHQNHHPHSHSQRYSREELKDAGVATLAWMVIMGDGLHNFSDGLAIGAAFTEGLSSGLSTSVAVFCHELPHELGDFAVLLKAGMTVKQAVLYNALSAMLAYLGMATGIFIGHYAENVSMWIFALTAGLFMYVALVDMVPEMLHNDASDHGCSRWGYFFLQNAGMLLGFGIMLLISIFEHKIVFRINF
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 partially or entirely disordered. Average 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 (00:09:57)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/9f757b2693b1cf1/tmp/folded.pdb (00:09:57)
[INFO] Main: Simulation completed successfully. (00:16:15)
|
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 | 0.2440 | |
| 2 | A | A | -0.3346 | |
| 3 | R | A | -1.6475 | |
| 4 | K | A | -1.2009 | |
| 5 | L | A | 0.7407 | |
| 6 | S | A | 0.7589 | |
| 7 | V | A | 1.5690 | |
| 8 | I | A | 2.0923 | |
| 9 | L | A | 2.4562 | |
| 10 | I | A | 3.2939 | |
| 11 | L | A | 3.3419 | |
| 12 | T | A | 2.8311 | |
| 13 | F | A | 3.3926 | |
| 14 | A | A | 2.6615 | |
| 15 | L | A | 2.6333 | |
| 16 | S | A | 1.7605 | |
| 17 | V | A | 2.1122 | |
| 18 | T | A | 0.9721 | |
| 19 | N | A | -0.2765 | |
| 20 | P | A | -0.0921 | |
| 21 | L | A | 0.3426 | |
| 22 | H | A | -1.2146 | |
| 23 | E | A | -1.6904 | |
| 24 | L | A | -0.1556 | |
| 25 | K | A | -1.6033 | |
| 26 | A | A | -0.5190 | |
| 27 | A | A | 0.1432 | |
| 28 | A | A | 0.5757 | |
| 29 | F | A | 1.6033 | |
| 30 | P | A | 0.1820 | |
| 31 | Q | A | -1.1721 | |
| 32 | T | A | -0.9847 | |
| 33 | T | A | -1.4835 | |
| 34 | E | A | -2.4113 | |
| 35 | K | A | -1.7065 | |
| 36 | I | A | 0.4653 | |
| 37 | S | A | -0.1826 | |
| 38 | P | A | -0.5895 | |
| 39 | N | A | -1.1818 | |
| 40 | W | A | -0.2859 | |
| 41 | E | A | -1.4971 | |
| 42 | S | A | -0.8308 | |
| 43 | G | A | 0.0770 | |
| 44 | I | A | 1.2947 | |
| 45 | N | A | 0.2579 | |
| 46 | V | A | 1.4685 | |
| 47 | D | A | -0.4037 | |
| 48 | L | A | 0.1254 | |
| 49 | A | A | 0.6531 | |
| 50 | I | A | 0.9418 | |
| 51 | S | A | -0.1304 | |
| 52 | T | A | -0.5388 | |
| 53 | R | A | -1.8683 | |
| 54 | Q | A | -1.3897 | |
| 55 | Y | A | -0.3750 | |
| 56 | H | A | -1.5281 | |
| 57 | L | A | -1.4295 | |
| 58 | Q | A | -1.1677 | |
| 59 | Q | A | -1.1365 | |
| 60 | L | A | -0.7429 | |
| 61 | F | A | 0.0000 | |
| 62 | Y | A | -0.7957 | |
| 63 | R | A | -1.7203 | |
| 64 | Y | A | -1.5472 | |
| 65 | G | A | -2.1927 | |
| 66 | E | A | -2.8767 | |
| 67 | N | A | -2.7141 | |
| 68 | N | A | -2.3981 | |
| 69 | S | A | -1.6779 | |
| 70 | L | A | 0.0000 | |
| 71 | S | A | -1.2835 | |
| 72 | V | A | -0.7269 | |
| 73 | E | A | -2.2478 | |
| 74 | G | A | -2.1626 | |
| 75 | F | A | 0.0000 | |
| 76 | R | A | -2.6205 | |
| 77 | K | A | -2.7733 | |
| 78 | L | A | 0.0000 | |
| 79 | L | A | 0.0000 | |
| 80 | Q | A | -2.2108 | |
| 81 | N | A | -1.7690 | |
| 82 | I | A | -0.0089 | |
| 83 | G | A | -0.5757 | |
| 84 | I | A | 0.0000 | |
| 85 | D | A | -1.8360 | |
| 86 | K | A | -2.1980 | |
| 87 | I | A | -0.8670 | |
| 88 | K | A | -1.9249 | |
| 89 | R | A | -1.6902 | |
| 90 | I | A | 0.6965 | |
| 91 | H | A | 0.2017 | |
| 92 | I | A | 0.8782 | |
| 93 | H | A | -1.1632 | |
| 94 | H | A | -2.4555 | |
| 95 | D | A | -3.3955 | |
| 96 | H | A | -3.5323 | |
| 97 | D | A | -3.6514 | |
| 98 | H | A | -3.0982 | |
| 99 | H | A | -2.5847 | |
| 100 | S | A | -2.2971 | |
| 101 | D | A | -3.0693 | |
| 102 | H | A | -3.0127 | |
| 103 | E | A | -3.4468 | |
| 104 | H | A | -2.7301 | |
| 105 | H | A | -2.4155 | |
| 106 | S | A | -2.1073 | |
| 107 | D | A | -2.9973 | |
| 108 | H | A | -3.2802 | |
| 109 | E | A | -3.8356 | |
| 110 | R | A | -3.4953 | |
| 111 | H | A | -2.8294 | |
| 112 | S | A | -2.2426 | |
| 113 | D | A | -2.9744 | |
| 114 | H | A | -3.0019 | |
| 115 | E | A | -3.3870 | |
| 116 | H | A | -2.6189 | |
| 117 | H | A | -2.3595 | |
| 118 | S | A | -1.9897 | |
| 119 | E | A | -3.0176 | |
| 120 | H | A | -3.0178 | |
| 121 | E | A | -3.3839 | |
| 122 | H | A | -2.6428 | |
| 123 | H | A | -2.3481 | |
| 124 | S | A | -2.0860 | |
| 125 | D | A | -2.9553 | |
| 126 | H | A | -3.0097 | |
| 127 | D | A | -3.3346 | |
| 128 | H | A | -2.6658 | |
| 129 | H | A | -2.2017 | |
| 130 | S | A | -1.5904 | |
| 131 | H | A | -2.0469 | |
| 132 | H | A | -2.3549 | |
| 133 | N | A | -2.4998 | |
| 134 | H | A | -1.8857 | |
| 135 | A | A | -0.7262 | |
| 136 | A | A | -0.2985 | |
| 137 | S | A | -0.7716 | |
| 138 | G | A | -1.7334 | |
| 139 | K | A | -2.9619 | |
| 140 | N | A | -3.4927 | |
| 141 | K | A | -3.9464 | |
| 142 | R | A | -3.7145 | |
| 143 | K | A | -2.5132 | |
| 144 | A | A | -0.2937 | |
| 145 | L | A | 1.4771 | |
| 146 | C | A | 0.8828 | |
| 147 | P | A | -0.6821 | |
| 148 | D | A | -2.5853 | |
| 149 | H | A | -2.8949 | |
| 150 | D | A | -3.2152 | |
| 151 | S | A | -2.3623 | |
| 152 | D | A | -2.4398 | |
| 153 | S | A | -1.3237 | |
| 154 | S | A | -1.2734 | |
| 155 | G | A | -1.7922 | |
| 156 | K | A | -2.9331 | |
| 157 | D | A | -3.2599 | |
| 158 | P | A | -2.7563 | |
| 159 | R | A | -3.0193 | |
| 160 | N | A | -2.6020 | |
| 161 | S | A | -1.8712 | |
| 162 | Q | A | -2.1447 | |
| 163 | G | A | -2.0743 | |
| 164 | K | A | -2.4123 | |
| 165 | G | A | -1.5783 | |
| 166 | A | A | -1.4741 | |
| 167 | H | A | -1.9948 | |
| 168 | R | A | -2.8598 | |
| 169 | P | A | -2.6217 | |
| 170 | E | A | -2.8531 | |
| 171 | H | A | -1.9116 | |
| 172 | A | A | -1.0848 | |
| 173 | S | A | -1.2287 | |
| 174 | G | A | -2.1664 | |
| 175 | R | A | -3.2982 | |
| 176 | R | A | -3.3183 | |
| 177 | N | A | -2.2691 | |
| 178 | V | A | -0.6368 | |
| 179 | K | A | -2.0628 | |
| 180 | D | A | -1.9326 | |
| 181 | S | A | -0.5913 | |
| 182 | V | A | 1.1891 | |
| 183 | S | A | 0.5822 | |
| 184 | A | A | -0.1463 | |
| 185 | S | A | -0.8171 | |
| 186 | E | A | -1.1015 | |
| 187 | V | A | 0.7799 | |
| 188 | T | A | 0.3079 | |
| 189 | S | A | 0.4740 | |
| 190 | T | A | 0.9226 | |
| 191 | V | A | 2.1248 | |
| 192 | Y | A | 1.6321 | |
| 193 | N | A | 0.0449 | |
| 194 | T | A | 0.1450 | |
| 195 | V | A | 0.9735 | |
| 196 | S | A | -0.1841 | |
| 197 | E | A | -1.8863 | |
| 198 | G | A | -1.6430 | |
| 199 | T | A | -0.7317 | |
| 200 | H | A | -0.0824 | |
| 201 | F | A | 1.7436 | |
| 202 | L | A | 1.5815 | |
| 203 | E | A | -0.1996 | |
| 204 | T | A | 0.1440 | |
| 205 | I | A | 0.8497 | |
| 206 | E | A | -1.1383 | |
| 207 | T | A | -1.1313 | |
| 208 | P | A | -1.7205 | |
| 209 | R | A | -2.5970 | |
| 210 | P | A | -1.6569 | |
| 211 | G | A | -1.5951 | |
| 212 | K | A | -1.0190 | |
| 213 | L | A | 1.4742 | |
| 214 | F | A | 1.9017 | |
| 215 | P | A | -0.1758 | |
| 216 | K | A | -2.0729 | |
| 217 | D | A | -2.0111 | |
| 218 | V | A | 0.3821 | |
| 219 | S | A | 0.1820 | |
| 220 | S | A | -0.0533 | |
| 221 | S | A | -0.4460 | |
| 222 | T | A | -0.3949 | |
| 223 | P | A | -0.5010 | |
| 224 | P | A | -0.1094 | |
| 225 | S | A | 0.4461 | |
| 226 | V | A | 1.5317 | |
| 227 | T | A | 0.2424 | |
| 228 | S | A | -0.7047 | |
| 229 | K | A | -2.3406 | |
| 230 | S | A | -1.6327 | |
| 231 | R | A | -1.5013 | |
| 232 | V | A | 0.2657 | |
| 233 | S | A | -0.2031 | |
| 234 | R | A | -0.7361 | |
| 235 | L | A | 0.5120 | |
| 236 | A | A | -0.2287 | |
| 237 | G | A | -1.3505 | |
| 238 | R | A | -2.8842 | |
| 239 | K | A | -2.9820 | |
| 240 | T | A | -2.3702 | |
| 241 | N | A | -2.6752 | |
| 242 | E | A | -2.2422 | |
| 243 | S | A | -0.7202 | |
| 244 | V | A | 0.7803 | |
| 245 | S | A | -0.2941 | |
| 246 | E | A | -2.0102 | |
| 247 | P | A | -2.4967 | |
| 248 | R | A | -3.0346 | |
| 249 | K | A | -2.2752 | |
| 250 | G | A | -0.3177 | |
| 251 | F | A | 1.8818 | |
| 252 | M | A | 1.9525 | |
| 253 | Y | A | 1.3100 | |
| 254 | S | A | -0.3506 | |
| 255 | R | A | -2.4123 | |
| 256 | N | A | -2.7531 | |
| 257 | T | A | -2.5801 | |
| 258 | N | A | -3.1951 | |
| 259 | E | A | -3.7492 | |
| 260 | N | A | -3.1679 | |
| 261 | P | A | -2.4448 | |
| 262 | Q | A | -2.6208 | |
| 263 | E | A | -1.7816 | |
| 264 | C | A | 0.0000 | |
| 265 | F | A | -0.7600 | |
| 266 | N | A | -1.4809 | |
| 267 | A | A | 0.0000 | |
| 268 | S | A | -0.8664 | |
| 269 | K | A | -1.4533 | |
| 270 | L | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | T | A | -0.7529 | |
| 273 | S | A | -0.9289 | |
| 274 | H | A | -0.8255 | |
| 275 | G | A | -0.7722 | |
| 276 | M | A | -0.2040 | |
| 277 | G | A | 0.3246 | |
| 278 | I | A | 0.7499 | |
| 279 | Q | A | 0.1992 | |
| 280 | V | A | 1.3566 | |
| 281 | P | A | -0.3703 | |
| 282 | L | A | 0.0000 | |
| 283 | N | A | -1.2575 | |
| 284 | A | A | -0.8243 | |
| 285 | T | A | -0.2832 | |
| 286 | E | A | -0.3774 | |
| 287 | F | A | 0.0000 | |
| 288 | N | A | -0.0493 | |
| 289 | Y | A | 0.9593 | |
| 290 | L | A | 0.0000 | |
| 291 | C | A | 0.6102 | |
| 292 | P | A | 0.3472 | |
| 293 | A | A | 0.2119 | |
| 294 | I | A | 0.0000 | |
| 295 | I | A | 0.8903 | |
| 296 | N | A | -0.9827 | |
| 297 | Q | A | 0.0000 | |
| 298 | I | A | 0.3129 | |
| 299 | D | A | -1.5802 | |
| 300 | A | A | -1.4286 | |
| 301 | R | A | -1.4129 | |
| 302 | S | A | -1.0247 | |
| 303 | C | A | 0.1921 | |
| 304 | L | A | 1.5168 | |
| 305 | I | A | 1.8769 | |
| 306 | H | A | -0.1696 | |
| 307 | T | A | -1.3442 | |
| 308 | S | A | -1.8652 | |
| 309 | E | A | -3.3040 | |
| 310 | K | A | -3.7124 | |
| 311 | K | A | -3.5325 | |
| 312 | A | A | -2.2667 | |
| 313 | E | A | -2.3625 | |
| 314 | I | A | -0.7316 | |
| 315 | P | A | -0.6687 | |
| 316 | P | A | -0.8529 | |
| 317 | K | A | -0.9668 | |
| 318 | T | A | -0.3178 | |
| 319 | Y | A | 0.0780 | |
| 320 | S | A | 0.5545 | |
| 321 | L | A | 1.4603 | |
| 322 | Q | A | 0.4749 | |
| 323 | I | A | 1.7036 | |
| 324 | A | A | 0.0000 | |
| 325 | W | A | 1.9135 | |
| 326 | V | A | 2.7024 | |
| 327 | G | A | 2.1541 | |
| 328 | G | A | 0.0000 | |
| 329 | F | A | 3.2956 | |
| 330 | I | A | 3.1935 | |
| 331 | A | A | 0.0000 | |
| 332 | I | A | 0.0000 | |
| 333 | S | A | 2.3618 | |
| 334 | I | A | 2.9172 | |
| 335 | I | A | 0.0000 | |
| 336 | S | A | 1.8614 | |
| 337 | F | A | 2.8886 | |
| 338 | L | A | 2.3082 | |
| 339 | S | A | 0.0000 | |
| 340 | L | A | 2.0668 | |
| 341 | L | A | 2.3203 | |
| 342 | G | A | 1.6689 | |
| 343 | V | A | 0.0000 | |
| 344 | I | A | 2.5254 | |
| 345 | L | A | 2.7967 | |
| 346 | V | A | 0.0000 | |
| 347 | P | A | 1.1688 | |
| 348 | L | A | 1.8541 | |
| 349 | M | A | 0.8948 | |
| 350 | N | A | -0.7220 | |
| 351 | R | A | -0.9839 | |
| 352 | V | A | 1.1864 | |
| 353 | F | A | 1.6530 | |
| 354 | F | A | 0.3485 | |
| 355 | K | A | -0.8652 | |
| 356 | F | A | 0.6275 | |
| 357 | L | A | 0.6769 | |
| 358 | L | A | 0.0000 | |
| 359 | S | A | 0.0000 | |
| 360 | F | A | 0.8988 | |
| 361 | L | A | 0.0000 | |
| 362 | V | A | 0.0000 | |
| 363 | A | A | 0.0000 | |
| 364 | L | A | 0.0000 | |
| 365 | A | A | 0.0000 | |
| 366 | V | A | 0.0000 | |
| 367 | G | A | 0.0000 | |
| 368 | T | A | 0.0000 | |
| 369 | L | A | 0.0000 | |
| 370 | S | A | 0.9279 | |
| 371 | G | A | 0.0000 | |
| 372 | D | A | 0.0000 | |
| 373 | A | A | 0.0000 | |
| 374 | F | A | 2.2886 | |
| 375 | L | A | 1.8713 | |
| 376 | H | A | 0.0000 | |
| 377 | L | A | 0.0000 | |
| 378 | L | A | 0.7841 | |
| 379 | P | A | 0.1466 | |
| 380 | H | A | -0.1873 | |
| 381 | S | A | 0.0000 | |
| 382 | H | A | -0.5082 | |
| 383 | A | A | -0.7984 | |
| 384 | S | A | -1.4799 | |
| 385 | H | A | -2.0379 | |
| 386 | H | A | -2.0836 | |
| 387 | H | A | -2.1670 | |
| 388 | S | A | -1.7189 | |
| 389 | H | A | -1.9804 | |
| 390 | S | A | -1.9129 | |
| 391 | H | A | -2.5662 | |
| 392 | E | A | -3.2846 | |
| 393 | E | A | -2.9427 | |
| 394 | P | A | -1.4548 | |
| 395 | A | A | -0.3261 | |
| 396 | M | A | -0.0193 | |
| 397 | E | A | -1.5683 | |
| 398 | M | A | -1.0496 | |
| 399 | K | A | -2.6598 | |
| 400 | R | A | -2.5043 | |
| 401 | G | A | -0.9214 | |
| 402 | P | A | -0.0741 | |
| 403 | L | A | 1.9362 | |
| 404 | F | A | 2.2579 | |
| 405 | S | A | 0.5462 | |
| 406 | H | A | 0.0921 | |
| 407 | L | A | 1.2452 | |
| 408 | S | A | 0.1001 | |
| 409 | S | A | -0.5657 | |
| 410 | Q | A | -1.7654 | |
| 411 | N | A | -1.4789 | |
| 412 | I | A | 0.5351 | |
| 413 | E | A | -0.8849 | |
| 414 | E | A | -0.9826 | |
| 415 | S | A | -0.0421 | |
| 416 | A | A | 0.4319 | |
| 417 | Y | A | 1.4951 | |
| 418 | F | A | 1.7395 | |
| 419 | D | A | 0.6845 | |
| 420 | S | A | 0.8076 | |
| 421 | T | A | 1.4369 | |
| 422 | W | A | 2.1325 | |
| 423 | K | A | 0.0000 | |
| 424 | G | A | 1.4800 | |
| 425 | L | A | 2.4466 | |
| 426 | T | A | 2.2111 | |
| 427 | A | A | 0.0000 | |
| 428 | L | A | 2.5571 | |
| 429 | G | A | 2.0458 | |
| 430 | G | A | 0.0000 | |
| 431 | L | A | 2.0473 | |
| 432 | Y | A | 1.8791 | |
| 433 | F | A | 1.9319 | |
| 434 | M | A | 0.0000 | |
| 435 | F | A | 1.8951 | |
| 436 | L | A | 1.5053 | |
| 437 | V | A | 1.2419 | |
| 438 | E | A | 0.5691 | |
| 439 | H | A | 0.6452 | |
| 440 | V | A | 1.5489 | |
| 441 | L | A | 1.0917 | |
| 442 | T | A | 0.1906 | |
| 443 | L | A | 0.5998 | |
| 444 | I | A | 0.7246 | |
| 445 | K | A | -1.0435 | |
| 446 | Q | A | -1.6304 | |
| 447 | F | A | -1.2658 | |
| 448 | K | A | -3.3404 | |
| 449 | D | A | -3.9978 | |
| 450 | K | A | -4.5941 | |
| 451 | K | A | -5.0971 | |
| 452 | K | A | -5.2154 | |
| 453 | K | A | -5.0662 | |
| 454 | N | A | -5.0550 | |
| 455 | Q | A | -4.6380 | |
| 456 | K | A | -4.8811 | |
| 457 | K | A | -4.4521 | |
| 458 | P | A | -3.6909 | |
| 459 | E | A | -4.0686 | |
| 460 | N | A | -4.1241 | |
| 461 | D | A | -3.9738 | |
| 462 | D | A | -3.9429 | |
| 463 | D | A | -3.6077 | |
| 464 | V | A | -1.8547 | |
| 465 | E | A | -2.0468 | |
| 466 | I | A | -0.6046 | |
| 467 | K | A | -1.7318 | |
| 468 | K | A | -1.8640 | |
| 469 | Q | A | -0.9769 | |
| 470 | L | A | 0.0221 | |
| 471 | S | A | -1.2677 | |
| 472 | K | A | -1.9201 | |
| 473 | Y | A | -0.4853 | |
| 474 | E | A | -1.4818 | |
| 475 | S | A | -1.4358 | |
| 476 | Q | A | -1.3385 | |
| 477 | L | A | -0.4379 | |
| 478 | S | A | -1.2998 | |
| 479 | T | A | -1.8058 | |
| 480 | N | A | -2.8133 | |
| 481 | E | A | -3.3080 | |
| 482 | E | A | -3.7320 | |
| 483 | K | A | -2.7483 | |
| 484 | V | A | -0.6347 | |
| 485 | D | A | -1.7694 | |
| 486 | T | A | -1.7975 | |
| 487 | D | A | -3.4472 | |
| 488 | D | A | -3.6156 | |
| 489 | R | A | -3.5623 | |
| 490 | T | A | -2.3329 | |
| 491 | E | A | -2.0200 | |
| 492 | G | A | -0.4367 | |
| 493 | Y | A | 1.1645 | |
| 494 | L | A | 1.1127 | |
| 495 | R | A | -1.2361 | |
| 496 | A | A | -1.6804 | |
| 497 | D | A | -2.6374 | |
| 498 | S | A | -2.3844 | |
| 499 | Q | A | -2.6682 | |
| 500 | E | A | -2.5840 | |
| 501 | P | A | -1.6596 | |
| 502 | S | A | -0.8057 | |
| 503 | H | A | -0.6200 | |
| 504 | F | A | 0.4430 | |
| 505 | D | A | -1.3235 | |
| 506 | S | A | -1.4828 | |
| 507 | Q | A | -2.3654 | |
| 508 | Q | A | -2.0179 | |
| 509 | P | A | -0.4774 | |
| 510 | A | A | 0.8256 | |
| 511 | V | A | 2.0813 | |
| 512 | L | A | 1.0074 | |
| 513 | E | A | -2.1156 | |
| 514 | E | A | -3.4654 | |
| 515 | E | A | -3.4495 | |
| 516 | E | A | -2.0072 | |
| 517 | V | A | 1.2375 | |
| 518 | M | A | 2.1132 | |
| 519 | I | A | 2.3776 | |
| 520 | A | A | 0.9379 | |
| 521 | H | A | -0.5024 | |
| 522 | A | A | -0.8187 | |
| 523 | H | A | -1.8198 | |
| 524 | P | A | -1.7961 | |
| 525 | Q | A | -2.1850 | |
| 526 | E | A | -1.5684 | |
| 527 | V | A | 1.0174 | |
| 528 | Y | A | 0.7300 | |
| 529 | N | A | -0.8082 | |
| 530 | E | A | -1.1008 | |
| 531 | Y | A | 0.7472 | |
| 532 | V | A | 1.3389 | |
| 533 | P | A | -0.0316 | |
| 534 | R | A | -1.5898 | |
| 535 | G | A | -1.2883 | |
| 536 | C | A | -1.2010 | |
| 537 | K | A | -2.6283 | |
| 538 | N | A | -2.7467 | |
| 539 | K | A | -2.5255 | |
| 540 | C | A | -1.0112 | |
| 541 | H | A | -1.3626 | |
| 542 | S | A | -0.7952 | |
| 543 | H | A | -0.7647 | |
| 544 | F | A | 0.4035 | |
| 545 | H | A | -1.2224 | |
| 546 | D | A | -1.6465 | |
| 547 | T | A | -0.6546 | |
| 548 | L | A | 0.6343 | |
| 549 | G | A | -0.4430 | |
| 550 | Q | A | -1.5495 | |
| 551 | S | A | -2.1541 | |
| 552 | D | A | -2.7172 | |
| 553 | D | A | -1.5638 | |
| 554 | L | A | 1.0851 | |
| 555 | I | A | 1.6954 | |
| 556 | H | A | -0.3755 | |
| 557 | H | A | -1.7025 | |
| 558 | H | A | -2.5365 | |
| 559 | H | A | -2.3817 | |
| 560 | D | A | -2.2256 | |
| 561 | Y | A | -0.4673 | |
| 562 | H | A | -0.8515 | |
| 563 | H | A | -0.1406 | |
| 564 | I | A | 1.7326 | |
| 565 | L | A | 1.2056 | |
| 566 | H | A | -0.5602 | |
| 567 | H | A | -1.6924 | |
| 568 | H | A | -2.3829 | |
| 569 | H | A | -2.6281 | |
| 570 | H | A | -2.8031 | |
| 571 | Q | A | -3.0858 | |
| 572 | N | A | -2.9419 | |
| 573 | H | A | -2.7810 | |
| 574 | H | A | -2.3792 | |
| 575 | P | A | -1.7909 | |
| 576 | H | A | -1.9715 | |
| 577 | S | A | -1.6128 | |
| 578 | H | A | -2.1147 | |
| 579 | S | A | -1.8373 | |
| 580 | Q | A | -2.1205 | |
| 581 | R | A | -2.3218 | |
| 582 | Y | A | -0.7082 | |
| 583 | S | A | -1.9806 | |
| 584 | R | A | -3.0479 | |
| 585 | E | A | -3.2084 | |
| 586 | E | A | -2.5932 | |
| 587 | L | A | -1.5602 | |
| 588 | K | A | -3.2693 | |
| 589 | D | A | -3.2601 | |
| 590 | A | A | -1.9509 | |
| 591 | G | A | -1.3477 | |
| 592 | V | A | -1.0972 | |
| 593 | A | A | -0.5194 | |
| 594 | T | A | 0.0000 | |
| 595 | L | A | 0.0000 | |
| 596 | A | A | 0.0000 | |
| 597 | W | A | 0.8216 | |
| 598 | M | A | 0.0000 | |
| 599 | V | A | 0.0000 | |
| 600 | I | A | 0.8670 | |
| 601 | M | A | 0.6738 | |
| 602 | G | A | 0.0000 | |
| 603 | D | A | 0.0000 | |
| 604 | G | A | 0.0000 | |
| 605 | L | A | 0.8975 | |
| 606 | H | A | 0.0000 | |
| 607 | N | A | 0.0000 | |
| 608 | F | A | 1.4277 | |
| 609 | S | A | 0.0000 | |
| 610 | D | A | 0.0000 | |
| 611 | G | A | 0.0000 | |
| 612 | L | A | 0.0000 | |
| 613 | A | A | -0.1043 | |
| 614 | I | A | 0.0000 | |
| 615 | G | A | 0.0000 | |
| 616 | A | A | -0.1929 | |
| 617 | A | A | 0.0000 | |
| 618 | F | A | 0.0000 | |
| 619 | T | A | -0.3693 | |
| 620 | E | A | -1.8348 | |
| 621 | G | A | -0.4493 | |
| 622 | L | A | 0.3594 | |
| 623 | S | A | 0.1115 | |
| 624 | S | A | -0.0770 | |
| 625 | G | A | 0.0000 | |
| 626 | L | A | 1.0480 | |
| 627 | S | A | 0.0000 | |
| 628 | T | A | 0.5479 | |
| 629 | S | A | 0.9654 | |
| 630 | V | A | 1.0288 | |
| 631 | A | A | 0.0000 | |
| 632 | V | A | 0.0000 | |
| 633 | F | A | 1.3135 | |
| 634 | C | A | 1.0849 | |
| 635 | H | A | 0.0000 | |
| 636 | E | A | 0.0000 | |
| 637 | L | A | 0.9947 | |
| 638 | P | A | 0.0000 | |
| 639 | H | A | 0.0000 | |
| 640 | E | A | 0.0000 | |
| 641 | L | A | 0.6521 | |
| 642 | G | A | 0.0000 | |
| 643 | D | A | 0.0000 | |
| 644 | F | A | 0.0000 | |
| 645 | A | A | 0.0000 | |
| 646 | V | A | 0.0000 | |
| 647 | L | A | 0.0000 | |
| 648 | L | A | -0.3126 | |
| 649 | K | A | -0.7968 | |
| 650 | A | A | -0.7597 | |
| 651 | G | A | -0.6096 | |
| 652 | M | A | -0.3244 | |
| 653 | T | A | -0.1099 | |
| 654 | V | A | -0.1860 | |
| 655 | K | A | -1.2987 | |
| 656 | Q | A | -0.9106 | |
| 657 | A | A | 0.0000 | |
| 658 | V | A | 0.6700 | |
| 659 | L | A | 0.7435 | |
| 660 | Y | A | 0.9876 | |
| 661 | N | A | 0.0000 | |
| 662 | A | A | 1.4421 | |
| 663 | L | A | 1.7457 | |
| 664 | S | A | 0.0000 | |
| 665 | A | A | 0.0000 | |
| 666 | M | A | 1.9502 | |
| 667 | L | A | 2.0245 | |
| 668 | A | A | 0.0000 | |
| 669 | Y | A | 1.9418 | |
| 670 | L | A | 2.1578 | |
| 671 | G | A | 0.0000 | |
| 672 | M | A | 0.0000 | |
| 673 | A | A | 1.5789 | |
| 674 | T | A | 1.3649 | |
| 675 | G | A | 0.0000 | |
| 676 | I | A | 0.0000 | |
| 677 | F | A | 2.4566 | |
| 678 | I | A | 1.5395 | |
| 679 | G | A | 0.2169 | |
| 680 | H | A | -0.6304 | |
| 681 | Y | A | 0.6667 | |
| 682 | A | A | 0.0000 | |
| 683 | E | A | -1.4234 | |
| 684 | N | A | -1.2757 | |
| 685 | V | A | -0.0886 | |
| 686 | S | A | -0.0132 | |
| 687 | M | A | -0.1977 | |
| 688 | W | A | 0.6263 | |
| 689 | I | A | 0.7152 | |
| 690 | F | A | 0.0000 | |
| 691 | A | A | 0.0000 | |
| 692 | L | A | 1.5004 | |
| 693 | T | A | 0.0000 | |
| 694 | A | A | 0.0000 | |
| 695 | G | A | 0.0000 | |
| 696 | L | A | 0.0000 | |
| 697 | F | A | 0.0000 | |
| 698 | M | A | 0.0000 | |
| 699 | Y | A | 0.0000 | |
| 700 | V | A | 0.0000 | |
| 701 | A | A | 0.0000 | |
| 702 | L | A | 1.4769 | |
| 703 | V | A | 1.6496 | |
| 704 | D | A | 0.5361 | |
| 705 | M | A | 0.0000 | |
| 706 | V | A | 1.0225 | |
| 707 | P | A | 0.5204 | |
| 708 | E | A | -0.2406 | |
| 709 | M | A | 0.0000 | |
| 710 | L | A | 0.7510 | |
| 711 | H | A | -1.0668 | |
| 712 | N | A | -1.4904 | |
| 713 | D | A | -2.5135 | |
| 714 | A | A | -2.4468 | |
| 715 | S | A | -2.1015 | |
| 716 | D | A | -2.6403 | |
| 717 | H | A | -2.0334 | |
| 718 | G | A | -1.4995 | |
| 719 | C | A | -0.7376 | |
| 720 | S | A | -0.5099 | |
| 721 | R | A | -0.9255 | |
| 722 | W | A | 1.5058 | |
| 723 | G | A | 1.2404 | |
| 724 | Y | A | 1.4222 | |
| 725 | F | A | 2.9661 | |
| 726 | F | A | 2.9186 | |
| 727 | L | A | 2.1771 | |
| 728 | Q | A | 1.9042 | |
| 729 | N | A | 1.4817 | |
| 730 | A | A | 1.7327 | |
| 731 | G | A | 0.0000 | |
| 732 | M | A | 1.4544 | |
| 733 | L | A | 2.3506 | |
| 734 | L | A | 2.0694 | |
| 735 | G | A | 0.0000 | |
| 736 | F | A | 2.6033 | |
| 737 | G | A | 1.9164 | |
| 738 | I | A | 1.8351 | |
| 739 | M | A | 0.0000 | |
| 740 | L | A | 2.5317 | |
| 741 | L | A | 2.8085 | |
| 742 | I | A | 1.8652 | |
| 743 | S | A | 1.5474 | |
| 744 | I | A | 2.3092 | |
| 745 | F | A | 1.7370 | |
| 746 | E | A | 0.1649 | |
| 747 | H | A | -0.9694 | |
| 748 | K | A | -0.9757 | |
| 749 | I | A | 0.1392 | |
| 750 | V | A | 0.4839 | |
| 751 | F | A | 0.4532 | |
| 752 | R | A | -0.8405 | |
| 753 | I | A | 0.2799 | |
| 754 | N | A | -0.3592 | |
| 755 | F | A | 1.3284 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.607 | 6.9087 | View | CSV | PDB |
| 4.5 | -0.6807 | 6.9087 | View | CSV | PDB |
| 5.0 | -0.7676 | 6.9087 | View | CSV | PDB |
| 5.5 | -0.8419 | 6.9087 | View | CSV | PDB |
| 6.0 | -0.879 | 6.9087 | View | CSV | PDB |
| 6.5 | -0.8729 | 6.9087 | View | CSV | PDB |
| 7.0 | -0.8418 | 6.9087 | View | CSV | PDB |
| 7.5 | -0.8061 | 6.9087 | View | CSV | PDB |
| 8.0 | -0.7722 | 6.9087 | View | CSV | PDB |
| 8.5 | -0.7365 | 6.9087 | View | CSV | PDB |
| 9.0 | -0.6937 | 6.9086 | 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