| Chain sequence(s) | MEGESYNESTVNGTPVNHQALERHGLWEVITIAVVTAVVSLMTIVGNVLVMISFKVNSQLKTVNNYYLLSLACADLIIGIFSMNLYTTYILMGRWVLGSLACDLWLALDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTPKRAGIMIGLAWLVSFILWAPAILCWQYLVGKRTVPPDECQIQFLSEPTITFGTAIAAFYIPVSVMTILYCRIYRETEKRTKDLADLQGSDSVAEAKKREPAQRTLLRSFFSCPRPSLAQRERNQASWSSSRRSTSTTGKTTQATDLSADWEKAEQVTTCSSYPSSEDEAKPTTDPVFQMVYKSEAKESPGKESNTQETKETVVNTRTENSDYDTPKYFLSPAAAHRLKSQKCVAYKFRLVVKADGTQETNNGCRKVKIMPCSFPVSKDPSTKGPDPNLSHQMTKRKRMVLVKERKAAQTLSAILLAFIITWTPYNIMVLVSTFCDKCVPVTLWHLGYWLCYVNSTINPICYALCNRTFRKTFKLLLLCRWKKKKVEEKLYWQGNSKLP 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] (00:00:02)
[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 A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:16:56)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/79d8ba5383af73/tmp/folded.pdb (00:16:56)
[INFO] Main: Simulation completed successfully. (00:27:02)
|
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 | -0.1304 | |
| 2 | E | A | -2.0948 | |
| 3 | G | A | -2.1783 | |
| 4 | E | A | -2.3782 | |
| 5 | S | A | -1.3337 | |
| 6 | Y | A | -0.2849 | |
| 7 | N | A | -1.8532 | |
| 8 | E | A | -1.9040 | |
| 9 | S | A | -0.6909 | |
| 10 | T | A | -0.1544 | |
| 11 | V | A | 0.9581 | |
| 12 | N | A | -0.5057 | |
| 13 | G | A | -0.4308 | |
| 14 | T | A | -0.1393 | |
| 15 | P | A | -0.2018 | |
| 16 | V | A | 0.3843 | |
| 17 | N | A | -1.3489 | |
| 18 | H | A | -1.5824 | |
| 19 | Q | A | -1.8665 | |
| 20 | A | A | -1.5409 | |
| 21 | L | A | -1.1652 | |
| 22 | E | A | -2.6286 | |
| 23 | R | A | -2.6806 | |
| 24 | H | A | -1.5358 | |
| 25 | G | A | -0.4791 | |
| 26 | L | A | 1.5014 | |
| 27 | W | A | 1.4363 | |
| 28 | E | A | -0.3240 | |
| 29 | V | A | 1.0949 | |
| 30 | I | A | 2.2594 | |
| 31 | T | A | 1.6682 | |
| 32 | I | A | 1.9337 | |
| 33 | A | A | 2.0740 | |
| 34 | V | A | 3.1817 | |
| 35 | V | A | 3.3948 | |
| 36 | T | A | 0.0000 | |
| 37 | A | A | 2.2646 | |
| 38 | V | A | 3.1247 | |
| 39 | V | A | 2.3966 | |
| 40 | S | A | 0.0000 | |
| 41 | L | A | 3.0061 | |
| 42 | M | A | 2.5179 | |
| 43 | T | A | 0.0000 | |
| 44 | I | A | 2.4223 | |
| 45 | V | A | 2.1002 | |
| 46 | G | A | 1.6025 | |
| 47 | N | A | 0.0000 | |
| 48 | V | A | 1.5803 | |
| 49 | L | A | 1.1180 | |
| 50 | V | A | 0.0000 | |
| 51 | M | A | 0.5858 | |
| 52 | I | A | 0.3778 | |
| 53 | S | A | 0.0000 | |
| 54 | F | A | 0.0000 | |
| 55 | K | A | -1.5686 | |
| 56 | V | A | -0.8007 | |
| 57 | N | A | -1.2003 | |
| 58 | S | A | -1.5360 | |
| 59 | Q | A | -1.7231 | |
| 60 | L | A | 0.0000 | |
| 61 | K | A | -2.0079 | |
| 62 | T | A | -0.9113 | |
| 63 | V | A | -0.7808 | |
| 64 | N | A | -0.3474 | |
| 65 | N | A | 0.0000 | |
| 66 | Y | A | -0.0371 | |
| 67 | Y | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | L | A | 0.4916 | |
| 70 | S | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | A | A | 0.0000 | |
| 73 | C | A | 0.7061 | |
| 74 | A | A | 0.0000 | |
| 75 | D | A | 0.0000 | |
| 76 | L | A | 1.3743 | |
| 77 | I | A | 1.4221 | |
| 78 | I | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | I | A | 1.9963 | |
| 81 | F | A | 1.8648 | |
| 82 | S | A | 0.0000 | |
| 83 | M | A | 0.0000 | |
| 84 | N | A | 0.4080 | |
| 85 | L | A | 0.7534 | |
| 86 | Y | A | 0.0000 | |
| 87 | T | A | 0.5829 | |
| 88 | T | A | 0.3406 | |
| 89 | Y | A | 0.1917 | |
| 90 | I | A | 0.4903 | |
| 91 | L | A | 0.3422 | |
| 92 | M | A | 0.1410 | |
| 93 | G | A | -0.9893 | |
| 94 | R | A | -1.3221 | |
| 95 | W | A | 0.0000 | |
| 96 | V | A | 0.9962 | |
| 97 | L | A | 1.4905 | |
| 98 | G | A | 0.5678 | |
| 99 | S | A | 0.5694 | |
| 100 | L | A | 1.9470 | |
| 101 | A | A | 1.5063 | |
| 102 | C | A | 0.0000 | |
| 103 | D | A | 0.0000 | |
| 104 | L | A | 1.8705 | |
| 105 | W | A | 0.0000 | |
| 106 | L | A | 0.0000 | |
| 107 | A | A | 0.0000 | |
| 108 | L | A | 1.5436 | |
| 109 | D | A | 0.0000 | |
| 110 | Y | A | 0.7783 | |
| 111 | V | A | 1.7048 | |
| 112 | A | A | 0.0000 | |
| 113 | S | A | 0.2535 | |
| 114 | N | A | 0.0000 | |
| 115 | A | A | 0.0000 | |
| 116 | S | A | 0.0000 | |
| 117 | V | A | 0.0000 | |
| 118 | M | A | 0.6635 | |
| 119 | N | A | 0.0000 | |
| 120 | L | A | 0.0000 | |
| 121 | L | A | 0.6534 | |
| 122 | V | A | 0.8756 | |
| 123 | I | A | 0.0000 | |
| 124 | S | A | 0.0000 | |
| 125 | F | A | 1.1577 | |
| 126 | D | A | 0.0000 | |
| 127 | R | A | 0.0000 | |
| 128 | Y | A | 0.3738 | |
| 129 | F | A | 0.3740 | |
| 130 | S | A | 0.0000 | |
| 131 | I | A | 0.0000 | |
| 132 | T | A | -0.7652 | |
| 133 | R | A | -1.2514 | |
| 134 | P | A | -0.5330 | |
| 135 | L | A | 0.5128 | |
| 136 | T | A | -0.3479 | |
| 137 | Y | A | -0.7652 | |
| 138 | R | A | -1.1951 | |
| 139 | A | A | -0.9565 | |
| 140 | K | A | -2.0006 | |
| 141 | R | A | -2.0401 | |
| 142 | T | A | -1.9510 | |
| 143 | P | A | -1.5013 | |
| 144 | K | A | -2.1974 | |
| 145 | R | A | -2.2887 | |
| 146 | A | A | 0.0000 | |
| 147 | G | A | -0.2012 | |
| 148 | I | A | 1.2725 | |
| 149 | M | A | 1.1977 | |
| 150 | I | A | 1.1988 | |
| 151 | G | A | 1.5617 | |
| 152 | L | A | 2.9481 | |
| 153 | A | A | 0.0000 | |
| 154 | W | A | 2.4539 | |
| 155 | L | A | 3.3078 | |
| 156 | V | A | 3.0265 | |
| 157 | S | A | 0.0000 | |
| 158 | F | A | 3.8248 | |
| 159 | I | A | 3.3681 | |
| 160 | L | A | 2.4629 | |
| 161 | W | A | 0.0000 | |
| 162 | A | A | 1.7249 | |
| 163 | P | A | 1.1021 | |
| 164 | A | A | 1.0947 | |
| 165 | I | A | 0.0000 | |
| 166 | L | A | 1.5271 | |
| 167 | C | A | 1.6551 | |
| 168 | W | A | 1.3157 | |
| 169 | Q | A | 0.6574 | |
| 170 | Y | A | 1.8691 | |
| 171 | L | A | 2.3078 | |
| 172 | V | A | 1.1650 | |
| 173 | G | A | 0.0256 | |
| 174 | K | A | -1.3915 | |
| 175 | R | A | -1.0670 | |
| 176 | T | A | -0.9012 | |
| 177 | V | A | -1.1002 | |
| 178 | P | A | -1.3419 | |
| 179 | P | A | -1.5060 | |
| 180 | D | A | -2.3406 | |
| 181 | E | A | -2.1598 | |
| 182 | C | A | 0.0000 | |
| 183 | Q | A | -1.0535 | |
| 184 | I | A | 0.0000 | |
| 185 | Q | A | -0.3598 | |
| 186 | F | A | 0.0000 | |
| 187 | L | A | 0.1072 | |
| 188 | S | A | -0.5285 | |
| 189 | E | A | -0.5754 | |
| 190 | P | A | 0.1916 | |
| 191 | T | A | 0.3814 | |
| 192 | I | A | 0.6182 | |
| 193 | T | A | 0.0000 | |
| 194 | F | A | 1.5209 | |
| 195 | G | A | 0.5532 | |
| 196 | T | A | 0.6711 | |
| 197 | A | A | 0.0000 | |
| 198 | I | A | 1.4738 | |
| 199 | A | A | 0.9843 | |
| 200 | A | A | 0.7280 | |
| 201 | F | A | 0.0000 | |
| 202 | Y | A | 1.4563 | |
| 203 | I | A | 2.1059 | |
| 204 | P | A | 0.0000 | |
| 205 | V | A | 1.4112 | |
| 206 | S | A | 1.4204 | |
| 207 | V | A | 1.8343 | |
| 208 | M | A | 0.0000 | |
| 209 | T | A | 1.3308 | |
| 210 | I | A | 1.9673 | |
| 211 | L | A | 0.0000 | |
| 212 | Y | A | 0.4771 | |
| 213 | C | A | 0.0622 | |
| 214 | R | A | -1.5491 | |
| 215 | I | A | 0.0000 | |
| 216 | Y | A | -0.7858 | |
| 217 | R | A | -2.8325 | |
| 218 | E | A | -2.5087 | |
| 219 | T | A | 0.0000 | |
| 220 | E | A | -3.2598 | |
| 221 | K | A | -3.7529 | |
| 222 | R | A | -3.2170 | |
| 223 | T | A | -3.0219 | |
| 224 | K | A | -3.7450 | |
| 225 | D | A | -3.3469 | |
| 226 | L | A | 0.0000 | |
| 227 | A | A | -2.3537 | |
| 228 | D | A | -2.8875 | |
| 229 | L | A | -1.3206 | |
| 230 | Q | A | -1.5681 | |
| 231 | G | A | -1.1407 | |
| 232 | S | A | -0.9246 | |
| 233 | D | A | -1.8108 | |
| 234 | S | A | -1.2577 | |
| 235 | V | A | -0.2295 | |
| 236 | A | A | -1.7877 | |
| 237 | E | A | -3.4482 | |
| 238 | A | A | -2.7716 | |
| 239 | K | A | -3.9130 | |
| 240 | K | A | -4.3798 | |
| 241 | R | A | -4.3845 | |
| 242 | E | A | -4.2493 | |
| 243 | P | A | -2.7772 | |
| 244 | A | A | -1.9244 | |
| 245 | Q | A | -1.9746 | |
| 246 | R | A | -1.7991 | |
| 247 | T | A | -0.3810 | |
| 248 | L | A | 1.1022 | |
| 249 | L | A | 1.0928 | |
| 250 | R | A | -0.1349 | |
| 251 | S | A | 1.0989 | |
| 252 | F | A | 2.5309 | |
| 253 | F | A | 2.6334 | |
| 254 | S | A | 1.4216 | |
| 255 | C | A | 0.5914 | |
| 256 | P | A | -0.9459 | |
| 257 | R | A | -1.8197 | |
| 258 | P | A | -0.9735 | |
| 259 | S | A | 0.1153 | |
| 260 | L | A | 0.9791 | |
| 261 | A | A | -0.2239 | |
| 262 | Q | A | -2.2832 | |
| 263 | R | A | -3.7452 | |
| 264 | E | A | -4.2644 | |
| 265 | R | A | -4.0872 | |
| 266 | N | A | -3.1276 | |
| 267 | Q | A | -2.1773 | |
| 268 | A | A | -0.7352 | |
| 269 | S | A | 0.0751 | |
| 270 | W | A | 0.9115 | |
| 271 | S | A | 0.1985 | |
| 272 | S | A | -0.5521 | |
| 273 | S | A | -1.5146 | |
| 274 | R | A | -3.0529 | |
| 275 | R | A | -3.0215 | |
| 276 | S | A | -1.5837 | |
| 277 | T | A | -0.6966 | |
| 278 | S | A | -0.3605 | |
| 279 | T | A | -0.3524 | |
| 280 | T | A | -0.7113 | |
| 281 | G | A | -1.3335 | |
| 282 | K | A | -1.9897 | |
| 283 | T | A | -1.3867 | |
| 284 | T | A | -1.1030 | |
| 285 | Q | A | -1.2362 | |
| 286 | A | A | -0.8516 | |
| 287 | T | A | -0.8021 | |
| 288 | D | A | -1.1080 | |
| 289 | L | A | 0.3077 | |
| 290 | S | A | -0.1284 | |
| 291 | A | A | -0.7118 | |
| 292 | D | A | -1.7793 | |
| 293 | W | A | -0.9789 | |
| 294 | E | A | -2.7866 | |
| 295 | K | A | -3.1744 | |
| 296 | A | A | -2.1323 | |
| 297 | E | A | -2.7225 | |
| 298 | Q | A | -1.4881 | |
| 299 | V | A | 0.8355 | |
| 300 | T | A | 0.5346 | |
| 301 | T | A | 0.5029 | |
| 302 | C | A | 0.6138 | |
| 303 | S | A | 0.3843 | |
| 304 | S | A | 0.3753 | |
| 305 | Y | A | 1.0438 | |
| 306 | P | A | -0.0970 | |
| 307 | S | A | -0.7914 | |
| 308 | S | A | -1.5231 | |
| 309 | E | A | -3.3819 | |
| 310 | D | A | -3.7001 | |
| 311 | E | A | -3.5216 | |
| 312 | A | A | -2.3702 | |
| 313 | K | A | -2.2438 | |
| 314 | P | A | -1.3430 | |
| 315 | T | A | -1.0285 | |
| 316 | T | A | -1.0774 | |
| 317 | D | A | -1.3562 | |
| 318 | P | A | -0.0347 | |
| 319 | V | A | 1.9250 | |
| 320 | F | A | 2.2672 | |
| 321 | Q | A | 1.2463 | |
| 322 | M | A | 1.8738 | |
| 323 | V | A | 2.1843 | |
| 324 | Y | A | 1.4253 | |
| 325 | K | A | -1.0643 | |
| 326 | S | A | -1.4201 | |
| 327 | E | A | -2.6976 | |
| 328 | A | A | -2.2723 | |
| 329 | K | A | -3.0400 | |
| 330 | E | A | -2.8029 | |
| 331 | S | A | -1.8974 | |
| 332 | P | A | -1.7256 | |
| 333 | G | A | -1.8131 | |
| 334 | K | A | -2.9811 | |
| 335 | E | A | -3.2278 | |
| 336 | S | A | -2.2766 | |
| 337 | N | A | -2.0600 | |
| 338 | T | A | -1.7682 | |
| 339 | Q | A | -2.5063 | |
| 340 | E | A | -2.8749 | |
| 341 | T | A | -2.4871 | |
| 342 | K | A | -3.0039 | |
| 343 | E | A | -2.3094 | |
| 344 | T | A | -0.1528 | |
| 345 | V | A | 1.9399 | |
| 346 | V | A | 1.9743 | |
| 347 | N | A | -0.4678 | |
| 348 | T | A | -1.2403 | |
| 349 | R | A | -2.5906 | |
| 350 | T | A | -2.2893 | |
| 351 | E | A | -2.9664 | |
| 352 | N | A | -2.6934 | |
| 353 | S | A | -2.0284 | |
| 354 | D | A | -2.0511 | |
| 355 | Y | A | -0.4977 | |
| 356 | D | A | -1.9618 | |
| 357 | T | A | -1.2225 | |
| 358 | P | A | -0.7994 | |
| 359 | K | A | -0.6608 | |
| 360 | Y | A | 1.7365 | |
| 361 | F | A | 2.7876 | |
| 362 | L | A | 2.4364 | |
| 363 | S | A | 1.0069 | |
| 364 | P | A | 0.0140 | |
| 365 | A | A | -0.0760 | |
| 366 | A | A | -0.3993 | |
| 367 | A | A | -0.8176 | |
| 368 | H | A | -1.4992 | |
| 369 | R | A | -1.9161 | |
| 370 | L | A | -0.5573 | |
| 371 | K | A | -1.7224 | |
| 372 | S | A | -1.6087 | |
| 373 | Q | A | -1.8500 | |
| 374 | K | A | -1.4330 | |
| 375 | C | A | 0.6446 | |
| 376 | V | A | 1.7535 | |
| 377 | A | A | 1.2711 | |
| 378 | Y | A | 1.3162 | |
| 379 | K | A | -0.2577 | |
| 380 | F | A | 1.1598 | |
| 381 | R | A | 0.2289 | |
| 382 | L | A | 2.0211 | |
| 383 | V | A | 2.6341 | |
| 384 | V | A | 1.8010 | |
| 385 | K | A | -0.6191 | |
| 386 | A | A | -1.1215 | |
| 387 | D | A | -2.3527 | |
| 388 | G | A | -1.8484 | |
| 389 | T | A | -1.7392 | |
| 390 | Q | A | -2.5737 | |
| 391 | E | A | -3.0205 | |
| 392 | T | A | -2.4156 | |
| 393 | N | A | -2.5109 | |
| 394 | N | A | -2.3911 | |
| 395 | G | A | -1.8920 | |
| 396 | C | A | -1.1133 | |
| 397 | R | A | -2.3387 | |
| 398 | K | A | -1.8124 | |
| 399 | V | A | 0.3430 | |
| 400 | K | A | -0.2700 | |
| 401 | I | A | 1.9878 | |
| 402 | M | A | 1.8369 | |
| 403 | P | A | 1.2142 | |
| 404 | C | A | 1.4201 | |
| 405 | S | A | 1.3115 | |
| 406 | F | A | 2.2844 | |
| 407 | P | A | 1.3106 | |
| 408 | V | A | 1.2792 | |
| 409 | S | A | -0.4754 | |
| 410 | K | A | -2.2987 | |
| 411 | D | A | -2.6273 | |
| 412 | P | A | -1.8837 | |
| 413 | S | A | -1.6324 | |
| 414 | T | A | -1.4662 | |
| 415 | K | A | -2.4037 | |
| 416 | G | A | -1.9413 | |
| 417 | P | A | -1.9066 | |
| 418 | D | A | -2.7967 | |
| 419 | P | A | -2.4027 | |
| 420 | N | A | -2.2440 | |
| 421 | L | A | -1.2349 | |
| 422 | S | A | -1.8924 | |
| 423 | H | A | -2.7772 | |
| 424 | Q | A | -2.5267 | |
| 425 | M | A | -2.0138 | |
| 426 | T | A | 0.0000 | |
| 427 | K | A | -3.0996 | |
| 428 | R | A | -3.3544 | |
| 429 | K | A | -3.0863 | |
| 430 | R | A | -2.6449 | |
| 431 | M | A | -1.4359 | |
| 432 | V | A | -1.0030 | |
| 433 | L | A | 0.0000 | |
| 434 | V | A | -1.1951 | |
| 435 | K | A | -2.3575 | |
| 436 | E | A | -1.7743 | |
| 437 | R | A | -2.1972 | |
| 438 | K | A | -2.9558 | |
| 439 | A | A | -1.9893 | |
| 440 | A | A | -1.3684 | |
| 441 | Q | A | -2.0941 | |
| 442 | T | A | -0.9091 | |
| 443 | L | A | 0.0000 | |
| 444 | S | A | -0.1451 | |
| 445 | A | A | 0.3352 | |
| 446 | I | A | 0.0000 | |
| 447 | L | A | 0.0000 | |
| 448 | L | A | 1.7658 | |
| 449 | A | A | 1.5069 | |
| 450 | F | A | 0.0000 | |
| 451 | I | A | 1.8333 | |
| 452 | I | A | 2.5827 | |
| 453 | T | A | 0.0000 | |
| 454 | W | A | 1.2514 | |
| 455 | T | A | 1.3210 | |
| 456 | P | A | 1.4391 | |
| 457 | Y | A | 1.3058 | |
| 458 | N | A | 0.0000 | |
| 459 | I | A | 1.8777 | |
| 460 | M | A | 0.0000 | |
| 461 | V | A | 1.5843 | |
| 462 | L | A | 2.0220 | |
| 463 | V | A | 1.8508 | |
| 464 | S | A | 0.7816 | |
| 465 | T | A | 1.0000 | |
| 466 | F | A | 1.9646 | |
| 467 | C | A | 0.3423 | |
| 468 | D | A | -1.7718 | |
| 469 | K | A | -1.8286 | |
| 470 | C | A | -0.2611 | |
| 471 | V | A | 0.1440 | |
| 472 | P | A | 0.2978 | |
| 473 | V | A | 1.0312 | |
| 474 | T | A | 0.9659 | |
| 475 | L | A | 1.5979 | |
| 476 | W | A | 1.4385 | |
| 477 | H | A | 1.3056 | |
| 478 | L | A | 2.1135 | |
| 479 | G | A | 0.0000 | |
| 480 | Y | A | 1.0417 | |
| 481 | W | A | 1.1672 | |
| 482 | L | A | 1.4037 | |
| 483 | C | A | 0.0000 | |
| 484 | Y | A | 0.0000 | |
| 485 | V | A | 0.8826 | |
| 486 | N | A | 0.0000 | |
| 487 | S | A | 0.0000 | |
| 488 | T | A | 0.0000 | |
| 489 | I | A | 1.0703 | |
| 490 | N | A | 0.0000 | |
| 491 | P | A | 0.0000 | |
| 492 | I | A | 1.7911 | |
| 493 | C | A | 0.0000 | |
| 494 | Y | A | 0.0000 | |
| 495 | A | A | -0.2783 | |
| 496 | L | A | 1.2388 | |
| 497 | C | A | -0.2362 | |
| 498 | N | A | -1.6373 | |
| 499 | R | A | -2.7490 | |
| 500 | T | A | -2.3218 | |
| 501 | F | A | 0.0000 | |
| 502 | R | A | -3.0650 | |
| 503 | K | A | -3.4703 | |
| 504 | T | A | 0.0000 | |
| 505 | F | A | 0.0000 | |
| 506 | K | A | -1.8473 | |
| 507 | L | A | -1.1687 | |
| 508 | L | A | 0.2864 | |
| 509 | L | A | 1.5090 | |
| 510 | L | A | 0.9626 | |
| 511 | C | A | 0.2325 | |
| 512 | R | A | -1.9057 | |
| 513 | W | A | -1.7613 | |
| 514 | K | A | -2.9884 | |
| 515 | K | A | -3.6074 | |
| 516 | K | A | -3.1548 | |
| 517 | K | A | -2.4719 | |
| 518 | V | A | -1.2219 | |
| 519 | E | A | -2.5094 | |
| 520 | E | A | -2.0185 | |
| 521 | K | A | -1.8293 | |
| 522 | L | A | -0.1369 | |
| 523 | Y | A | -0.3653 | |
| 524 | W | A | -1.0890 | |
| 525 | Q | A | -1.8404 | |
| 526 | G | A | -1.3773 | |
| 527 | N | A | -1.6376 | |
| 528 | S | A | -1.3798 | |
| 529 | K | A | -1.8738 | |
| 530 | L | A | -0.0188 | |
| 531 | P | A | -0.1325 |
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 | -0.3058 | 6.8792 | View | CSV | PDB |
| 4.5 | -0.3631 | 6.8792 | View | CSV | PDB |
| 5.0 | -0.4324 | 6.8792 | View | CSV | PDB |
| 5.5 | -0.4958 | 6.8792 | View | CSV | PDB |
| 6.0 | -0.5329 | 6.8792 | View | CSV | PDB |
| 6.5 | -0.5307 | 6.8792 | View | CSV | PDB |
| 7.0 | -0.4924 | 6.8792 | View | CSV | PDB |
| 7.5 | -0.4316 | 6.8792 | View | CSV | PDB |
| 8.0 | -0.3594 | 6.8792 | View | CSV | PDB |
| 8.5 | -0.2801 | 6.8792 | View | CSV | PDB |
| 9.0 | -0.1943 | 6.8791 | 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