| Chain sequence(s) | MQGEDARYLKRKVKGGNIDVHPSEKALIVQYEVEATILGEMGDPMLGERKECQKIIRLKSLNANTDITSLARKVVEECKLIHPSKLSEVEQLLYYLQNRRDSLPGKEKKEKSSKPKDPPPFEGMEIDEVANINDMDEYIELLYEDIPDKVRGSALILQLARNPDNLEELLLNETALGALARVLREDWKQSVELATNIIYIFFCFSSFSHFHGLITHYKIGALCMNIIDHELKRHELWQEELSKKKKAVDEDLENQTLRKDYDKTFKKYQGLVVKQEQLLRVALYLLLNLAEDTRTELKMRNKNIVHMLVKALDRDNFELLILVVSFLKKLSIFMENKNDMVEMDIVEKLVKMIPCEHEDLLNITLRLLLNLSFDTGLRNKMVQVGLLPKLTALLGNENYKQIAMCVLYHISMDDRFKSMFAYTDCIPQLMKMLFECSDERIDLELISFCINLAANKRNVQLICEGNGLKMLMKRALKLKDPLLMKMIRNISQHDGPTKNLFIDYVGDLAAQISSDEEEEFVIECLGTLANLTIPDLDWELVLKEYKLVPFLKDKLKPGAAEDDLVLEVVIMIGTVSMDDSCAALLAKSGIIPALIELLNAQQEDDEFVCQIIYVFYQMVFHQATRDVIIKETQAPAYLIDLMHDKNNEIRKVCDNTLDIIAEYDEEWAKKIQSEKFRWHNSQWLEMVESRQLDESEQYLYGDDRIEPYIHEGDILERPDLFYNSDGLITSEGAISPDFFNDFHLQNGDVVGQHAFPGSLGMDGFGQPLGILGRPATAYGFRPDEPYYYSFGSR 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 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 (00:24:18)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/539409b44a1ae2/tmp/folded.pdb (00:24:18)
[INFO] Main: Simulation completed successfully. (00:41:05)
|
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 | -0.2226 | |
| 2 | Q | A | -1.7733 | |
| 3 | G | A | -2.3693 | |
| 4 | E | A | -3.2720 | |
| 5 | D | A | -2.6667 | |
| 6 | A | A | -2.0305 | |
| 7 | R | A | -2.7581 | |
| 8 | Y | A | -1.3374 | |
| 9 | L | A | -0.8915 | |
| 10 | K | A | -2.4170 | |
| 11 | R | A | -2.9131 | |
| 12 | K | A | -2.3585 | |
| 13 | V | A | -1.0639 | |
| 14 | K | A | -1.7242 | |
| 15 | G | A | -1.8492 | |
| 16 | G | A | -1.9173 | |
| 17 | N | A | -2.0310 | |
| 18 | I | A | 0.0000 | |
| 19 | D | A | -1.1541 | |
| 20 | V | A | -0.1097 | |
| 21 | H | A | -0.7542 | |
| 22 | P | A | -0.9129 | |
| 23 | S | A | -1.3145 | |
| 24 | E | A | -1.7480 | |
| 25 | K | A | -2.0045 | |
| 26 | A | A | 0.0000 | |
| 27 | L | A | 0.0000 | |
| 28 | I | A | -0.8801 | |
| 29 | V | A | 0.0000 | |
| 30 | Q | A | -2.2463 | |
| 31 | Y | A | -2.0711 | |
| 32 | E | A | -2.8503 | |
| 33 | V | A | -2.6007 | |
| 34 | E | A | -3.3347 | |
| 35 | A | A | 0.0000 | |
| 36 | T | A | -1.1306 | |
| 37 | I | A | -0.1741 | |
| 38 | L | A | -0.3098 | |
| 39 | G | A | -0.7372 | |
| 40 | E | A | -1.7526 | |
| 41 | M | A | -0.5156 | |
| 42 | G | A | -1.3720 | |
| 43 | D | A | -1.5238 | |
| 44 | P | A | -0.2850 | |
| 45 | M | A | 1.1060 | |
| 46 | L | A | 1.3656 | |
| 47 | G | A | -1.0828 | |
| 48 | E | A | -3.1397 | |
| 49 | R | A | -4.4205 | |
| 50 | K | A | -3.9076 | |
| 51 | E | A | -3.7191 | |
| 52 | C | A | -2.5296 | |
| 53 | Q | A | -2.3005 | |
| 54 | K | A | -1.5314 | |
| 55 | I | A | -0.6262 | |
| 56 | I | A | -0.8348 | |
| 57 | R | A | -2.1457 | |
| 58 | L | A | 0.0000 | |
| 59 | K | A | -2.5506 | |
| 60 | S | A | -1.6856 | |
| 61 | L | A | 0.0000 | |
| 62 | N | A | -2.1828 | |
| 63 | A | A | -1.3938 | |
| 64 | N | A | -2.0672 | |
| 65 | T | A | -1.7319 | |
| 66 | D | A | -2.1710 | |
| 67 | I | A | 0.0000 | |
| 68 | T | A | -1.3995 | |
| 69 | S | A | -1.7220 | |
| 70 | L | A | -1.7896 | |
| 71 | A | A | 0.0000 | |
| 72 | R | A | -3.3839 | |
| 73 | K | A | -3.4340 | |
| 74 | V | A | 0.0000 | |
| 75 | V | A | 0.0000 | |
| 76 | E | A | -4.1397 | |
| 77 | E | A | -3.7088 | |
| 78 | C | A | -2.7210 | |
| 79 | K | A | -2.5526 | |
| 80 | L | A | -1.6113 | |
| 81 | I | A | 0.0000 | |
| 82 | H | A | -2.0270 | |
| 83 | P | A | -1.6663 | |
| 84 | S | A | -1.0225 | |
| 85 | K | A | -1.5733 | |
| 86 | L | A | -1.8974 | |
| 87 | S | A | -1.6836 | |
| 88 | E | A | -2.2858 | |
| 89 | V | A | 0.0000 | |
| 90 | E | A | -1.5648 | |
| 91 | Q | A | -1.1408 | |
| 92 | L | A | -0.3347 | |
| 93 | L | A | 0.0000 | |
| 94 | Y | A | 0.6392 | |
| 95 | Y | A | 0.7468 | |
| 96 | L | A | 0.0000 | |
| 97 | Q | A | -0.9736 | |
| 98 | N | A | -1.2168 | |
| 99 | R | A | -1.8063 | |
| 100 | R | A | -2.8691 | |
| 101 | D | A | -2.7770 | |
| 102 | S | A | -1.1379 | |
| 103 | L | A | 0.2574 | |
| 104 | P | A | -0.7900 | |
| 105 | G | A | -1.6293 | |
| 106 | K | A | -3.2475 | |
| 107 | E | A | -4.1956 | |
| 108 | K | A | -4.5213 | |
| 109 | K | A | -4.6767 | |
| 110 | E | A | -4.2503 | |
| 111 | K | A | -3.9693 | |
| 112 | S | A | -2.7725 | |
| 113 | S | A | -2.1868 | |
| 114 | K | A | -2.9235 | |
| 115 | P | A | -2.5171 | |
| 116 | K | A | -3.1384 | |
| 117 | D | A | -2.9960 | |
| 118 | P | A | -1.7090 | |
| 119 | P | A | -1.3145 | |
| 120 | P | A | -1.4810 | |
| 121 | F | A | 0.0000 | |
| 122 | E | A | -2.4475 | |
| 123 | G | A | -1.8456 | |
| 124 | M | A | -1.6407 | |
| 125 | E | A | -2.3745 | |
| 126 | I | A | -1.3625 | |
| 127 | D | A | -1.9252 | |
| 128 | E | A | -1.1567 | |
| 129 | V | A | 0.5833 | |
| 130 | A | A | -0.2891 | |
| 131 | N | A | -1.1799 | |
| 132 | I | A | -1.5392 | |
| 133 | N | A | -2.4278 | |
| 134 | D | A | -2.9532 | |
| 135 | M | A | 0.0000 | |
| 136 | D | A | -3.5693 | |
| 137 | E | A | -3.6993 | |
| 138 | Y | A | 0.0000 | |
| 139 | I | A | -1.9211 | |
| 140 | E | A | -2.7793 | |
| 141 | L | A | -2.1439 | |
| 142 | L | A | 0.0000 | |
| 143 | Y | A | -0.4850 | |
| 144 | E | A | -2.4665 | |
| 145 | D | A | -2.4361 | |
| 146 | I | A | -1.3825 | |
| 147 | P | A | -1.4276 | |
| 148 | D | A | -1.9605 | |
| 149 | K | A | -1.4713 | |
| 150 | V | A | -0.9124 | |
| 151 | R | A | -1.1390 | |
| 152 | G | A | 0.0000 | |
| 153 | S | A | 0.0000 | |
| 154 | A | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | I | A | 0.0000 | |
| 157 | L | A | 0.0000 | |
| 158 | Q | A | -0.9354 | |
| 159 | L | A | 0.0000 | |
| 160 | A | A | 0.0000 | |
| 161 | R | A | -2.0073 | |
| 162 | N | A | -2.1659 | |
| 163 | P | A | -2.2564 | |
| 164 | D | A | -3.1146 | |
| 165 | N | A | -2.6138 | |
| 166 | L | A | 0.0000 | |
| 167 | E | A | -2.6888 | |
| 168 | E | A | -2.4128 | |
| 169 | L | A | 0.0000 | |
| 170 | L | A | -0.5513 | |
| 171 | L | A | 0.0514 | |
| 172 | N | A | -1.1571 | |
| 173 | E | A | -1.4605 | |
| 174 | T | A | -1.0145 | |
| 175 | A | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | G | A | -0.8457 | |
| 178 | A | A | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | A | A | 0.0000 | |
| 181 | R | A | -1.3580 | |
| 182 | V | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | R | A | -2.5401 | |
| 185 | E | A | -3.0555 | |
| 186 | D | A | -2.4152 | |
| 187 | W | A | 0.0000 | |
| 188 | K | A | -2.8994 | |
| 189 | Q | A | -2.3849 | |
| 190 | S | A | 0.0000 | |
| 191 | V | A | -1.1198 | |
| 192 | E | A | -1.4236 | |
| 193 | L | A | 0.0000 | |
| 194 | A | A | 0.0000 | |
| 195 | T | A | 0.0000 | |
| 196 | N | A | 0.0000 | |
| 197 | I | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | Y | A | 0.0000 | |
| 200 | I | A | 0.0000 | |
| 201 | F | A | 0.0000 | |
| 202 | F | A | 0.0000 | |
| 203 | C | A | -0.2779 | |
| 204 | F | A | 0.0000 | |
| 205 | S | A | 0.0000 | |
| 206 | S | A | -0.1479 | |
| 207 | F | A | 0.3711 | |
| 208 | S | A | -0.7314 | |
| 209 | H | A | -0.9580 | |
| 210 | F | A | 0.0000 | |
| 211 | H | A | -0.9164 | |
| 212 | G | A | -1.1623 | |
| 213 | L | A | -0.9594 | |
| 214 | I | A | 0.0000 | |
| 215 | T | A | -1.2576 | |
| 216 | H | A | -1.5610 | |
| 217 | Y | A | -1.2191 | |
| 218 | K | A | -1.9673 | |
| 219 | I | A | 0.0000 | |
| 220 | G | A | -0.7533 | |
| 221 | A | A | -1.0421 | |
| 222 | L | A | -1.0014 | |
| 223 | C | A | 0.0000 | |
| 224 | M | A | 0.0000 | |
| 225 | N | A | -1.9092 | |
| 226 | I | A | 0.0000 | |
| 227 | I | A | 0.0000 | |
| 228 | D | A | -2.9306 | |
| 229 | H | A | -2.3250 | |
| 230 | E | A | 0.0000 | |
| 231 | L | A | 0.0000 | |
| 232 | K | A | -2.5652 | |
| 233 | R | A | -1.4286 | |
| 234 | H | A | -1.7297 | |
| 235 | E | A | -2.4071 | |
| 236 | L | A | -0.7385 | |
| 237 | W | A | -1.3783 | |
| 238 | Q | A | -2.3402 | |
| 239 | E | A | -3.1674 | |
| 240 | E | A | -2.7952 | |
| 241 | L | A | 0.0000 | |
| 242 | S | A | -2.8944 | |
| 243 | K | A | -3.7842 | |
| 244 | K | A | -3.4083 | |
| 245 | K | A | -4.1721 | |
| 246 | K | A | -4.1298 | |
| 247 | A | A | -2.9431 | |
| 248 | V | A | -3.3802 | |
| 249 | D | A | -3.7406 | |
| 250 | E | A | -3.5565 | |
| 251 | D | A | -2.6792 | |
| 252 | L | A | -1.1904 | |
| 253 | E | A | -2.3814 | |
| 254 | N | A | -2.3901 | |
| 255 | Q | A | -2.5509 | |
| 256 | T | A | -2.0412 | |
| 257 | L | A | -2.4682 | |
| 258 | R | A | -3.8055 | |
| 259 | K | A | -3.7735 | |
| 260 | D | A | -3.1357 | |
| 261 | Y | A | -3.6102 | |
| 262 | D | A | -4.1474 | |
| 263 | K | A | -3.9122 | |
| 264 | T | A | 0.0000 | |
| 265 | F | A | -2.5311 | |
| 266 | K | A | -3.3800 | |
| 267 | K | A | -2.8553 | |
| 268 | Y | A | -1.5801 | |
| 269 | Q | A | -1.2725 | |
| 270 | G | A | -0.8636 | |
| 271 | L | A | -0.3143 | |
| 272 | V | A | -0.1148 | |
| 273 | V | A | 1.0979 | |
| 274 | K | A | -0.3875 | |
| 275 | Q | A | 0.0000 | |
| 276 | E | A | -0.2826 | |
| 277 | Q | A | -0.6122 | |
| 278 | L | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | R | A | 0.0000 | |
| 281 | V | A | 0.0000 | |
| 282 | A | A | 0.0000 | |
| 283 | L | A | 0.0000 | |
| 284 | Y | A | 0.0000 | |
| 285 | L | A | 0.0000 | |
| 286 | L | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | N | A | 0.0000 | |
| 289 | L | A | 0.0000 | |
| 290 | A | A | 0.0000 | |
| 291 | E | A | -2.4206 | |
| 292 | D | A | -1.8088 | |
| 293 | T | A | -1.5733 | |
| 294 | R | A | -2.3648 | |
| 295 | T | A | -1.8702 | |
| 296 | E | A | 0.0000 | |
| 297 | L | A | -1.4390 | |
| 298 | K | A | -2.6919 | |
| 299 | M | A | 0.0000 | |
| 300 | R | A | -2.6374 | |
| 301 | N | A | -2.7419 | |
| 302 | K | A | -3.0134 | |
| 303 | N | A | -2.7464 | |
| 304 | I | A | 0.0000 | |
| 305 | V | A | 0.0000 | |
| 306 | H | A | -1.5147 | |
| 307 | M | A | -1.3391 | |
| 308 | L | A | 0.0000 | |
| 309 | V | A | 0.0000 | |
| 310 | K | A | -1.9033 | |
| 311 | A | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | D | A | -2.8856 | |
| 314 | R | A | 0.0000 | |
| 315 | D | A | -2.3850 | |
| 316 | N | A | -1.3001 | |
| 317 | F | A | -1.1538 | |
| 318 | E | A | -1.3048 | |
| 319 | L | A | 0.0000 | |
| 320 | L | A | 0.0000 | |
| 321 | I | A | -0.4056 | |
| 322 | L | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | V | A | 0.0000 | |
| 325 | S | A | 0.0000 | |
| 326 | F | A | 0.0000 | |
| 327 | L | A | 0.0000 | |
| 328 | K | A | -0.4235 | |
| 329 | K | A | -0.8759 | |
| 330 | L | A | 0.0000 | |
| 331 | S | A | 0.0000 | |
| 332 | I | A | 1.9972 | |
| 333 | F | A | 1.3047 | |
| 334 | M | A | 0.7640 | |
| 335 | E | A | -0.9032 | |
| 336 | N | A | 0.0000 | |
| 337 | K | A | 0.0000 | |
| 338 | N | A | -1.3847 | |
| 339 | D | A | -1.7105 | |
| 340 | M | A | 0.0000 | |
| 341 | V | A | -1.2431 | |
| 342 | E | A | -2.0668 | |
| 343 | M | A | -1.6367 | |
| 344 | D | A | -2.1778 | |
| 345 | I | A | 0.0000 | |
| 346 | V | A | 0.0000 | |
| 347 | E | A | -2.0937 | |
| 348 | K | A | -2.1198 | |
| 349 | L | A | 0.0000 | |
| 350 | V | A | 0.0000 | |
| 351 | K | A | -2.2320 | |
| 352 | M | A | 0.0000 | |
| 353 | I | A | 0.0000 | |
| 354 | P | A | -1.2477 | |
| 355 | C | A | -1.8087 | |
| 356 | E | A | -2.6000 | |
| 357 | H | A | -2.5049 | |
| 358 | E | A | -3.4510 | |
| 359 | D | A | -2.9904 | |
| 360 | L | A | 0.0000 | |
| 361 | L | A | 0.0000 | |
| 362 | N | A | -1.5388 | |
| 363 | I | A | -0.8222 | |
| 364 | T | A | 0.0000 | |
| 365 | L | A | 0.0000 | |
| 366 | R | A | -0.4007 | |
| 367 | L | A | 0.0000 | |
| 368 | L | A | 0.0000 | |
| 369 | L | A | 0.3948 | |
| 370 | N | A | 0.4918 | |
| 371 | L | A | 0.0000 | |
| 372 | S | A | 0.0000 | |
| 373 | F | A | 1.6733 | |
| 374 | D | A | 0.3206 | |
| 375 | T | A | -0.2582 | |
| 376 | G | A | -0.6859 | |
| 377 | L | A | 0.0000 | |
| 378 | R | A | 0.0000 | |
| 379 | N | A | -1.8469 | |
| 380 | K | A | -1.7182 | |
| 381 | M | A | 0.0000 | |
| 382 | V | A | -0.7981 | |
| 383 | Q | A | -1.5578 | |
| 384 | V | A | -1.0206 | |
| 385 | G | A | -0.6213 | |
| 386 | L | A | 0.0000 | |
| 387 | L | A | 0.0000 | |
| 388 | P | A | -0.4383 | |
| 389 | K | A | -0.6177 | |
| 390 | L | A | 0.0000 | |
| 391 | T | A | -0.7825 | |
| 392 | A | A | -0.8459 | |
| 393 | L | A | 0.0000 | |
| 394 | L | A | 0.0000 | |
| 395 | G | A | -1.5842 | |
| 396 | N | A | -2.5157 | |
| 397 | E | A | -3.2895 | |
| 398 | N | A | -3.0610 | |
| 399 | Y | A | 0.0000 | |
| 400 | K | A | -2.4724 | |
| 401 | Q | A | -2.1906 | |
| 402 | I | A | -0.9551 | |
| 403 | A | A | 0.0000 | |
| 404 | M | A | 0.0000 | |
| 405 | C | A | 0.0000 | |
| 406 | V | A | 0.0000 | |
| 407 | L | A | 0.0000 | |
| 408 | Y | A | 0.1957 | |
| 409 | H | A | 0.0000 | |
| 410 | I | A | 0.0000 | |
| 411 | S | A | 0.0000 | |
| 412 | M | A | -0.6306 | |
| 413 | D | A | -1.8014 | |
| 414 | D | A | -3.0553 | |
| 415 | R | A | -2.8305 | |
| 416 | F | A | 0.0000 | |
| 417 | K | A | 0.0000 | |
| 418 | S | A | -1.2177 | |
| 419 | M | A | -0.1200 | |
| 420 | F | A | 0.0000 | |
| 421 | A | A | -0.2903 | |
| 422 | Y | A | 0.7877 | |
| 423 | T | A | -0.3301 | |
| 424 | D | A | -1.6395 | |
| 425 | C | A | 0.0000 | |
| 426 | I | A | 0.0000 | |
| 427 | P | A | -1.2734 | |
| 428 | Q | A | -1.3635 | |
| 429 | L | A | 0.0000 | |
| 430 | M | A | 0.0000 | |
| 431 | K | A | -1.8327 | |
| 432 | M | A | -1.2779 | |
| 433 | L | A | 0.0000 | |
| 434 | F | A | -0.7481 | |
| 435 | E | A | -2.1335 | |
| 436 | C | A | -2.1116 | |
| 437 | S | A | -2.0891 | |
| 438 | D | A | -3.6974 | |
| 439 | E | A | -3.8640 | |
| 440 | R | A | -3.4368 | |
| 441 | I | A | 0.0000 | |
| 442 | D | A | -1.8900 | |
| 443 | L | A | -0.2600 | |
| 444 | E | A | -0.2158 | |
| 445 | L | A | 0.0000 | |
| 446 | I | A | 0.0000 | |
| 447 | S | A | 0.0968 | |
| 448 | F | A | 0.0000 | |
| 449 | C | A | 0.0000 | |
| 450 | I | A | 0.0000 | |
| 451 | N | A | -0.2471 | |
| 452 | L | A | 0.0000 | |
| 453 | A | A | 0.0000 | |
| 454 | A | A | -1.1027 | |
| 455 | N | A | -2.1233 | |
| 456 | K | A | -3.0127 | |
| 457 | R | A | -2.6241 | |
| 458 | N | A | 0.0000 | |
| 459 | V | A | 0.0000 | |
| 460 | Q | A | -2.2463 | |
| 461 | L | A | -1.2852 | |
| 462 | I | A | 0.0000 | |
| 463 | C | A | 0.0000 | |
| 464 | E | A | -2.4475 | |
| 465 | G | A | -2.0649 | |
| 466 | N | A | -2.1036 | |
| 467 | G | A | 0.0000 | |
| 468 | L | A | 0.0000 | |
| 469 | K | A | -1.9245 | |
| 470 | M | A | -1.0296 | |
| 471 | L | A | 0.0000 | |
| 472 | M | A | 0.0000 | |
| 473 | K | A | -2.5888 | |
| 474 | R | A | -1.8905 | |
| 475 | A | A | 0.0000 | |
| 476 | L | A | -1.8498 | |
| 477 | K | A | -2.6011 | |
| 478 | L | A | -2.1119 | |
| 479 | K | A | -2.2688 | |
| 480 | D | A | 0.0000 | |
| 481 | P | A | -1.0225 | |
| 482 | L | A | -0.2970 | |
| 483 | L | A | 0.0000 | |
| 484 | M | A | 0.0000 | |
| 485 | K | A | -0.5071 | |
| 486 | M | A | 0.0000 | |
| 487 | I | A | 0.0000 | |
| 488 | R | A | 0.0000 | |
| 489 | N | A | 0.0000 | |
| 490 | I | A | 0.0000 | |
| 491 | S | A | 0.0000 | |
| 492 | Q | A | -1.4197 | |
| 493 | H | A | -2.1763 | |
| 494 | D | A | -2.5875 | |
| 495 | G | A | -1.7491 | |
| 496 | P | A | -1.1282 | |
| 497 | T | A | -1.4219 | |
| 498 | K | A | 0.0000 | |
| 499 | N | A | -1.5246 | |
| 500 | L | A | -0.4602 | |
| 501 | F | A | 0.0000 | |
| 502 | I | A | -0.4032 | |
| 503 | D | A | -1.7072 | |
| 504 | Y | A | 0.0000 | |
| 505 | V | A | 0.0000 | |
| 506 | G | A | -0.9624 | |
| 507 | D | A | -1.6371 | |
| 508 | L | A | 0.0000 | |
| 509 | A | A | 0.0000 | |
| 510 | A | A | -0.8199 | |
| 511 | Q | A | -1.1402 | |
| 512 | I | A | 0.0000 | |
| 513 | S | A | -1.4688 | |
| 514 | S | A | -1.7825 | |
| 515 | D | A | -2.7484 | |
| 516 | E | A | -3.1010 | |
| 517 | E | A | -3.5925 | |
| 518 | E | A | -3.2127 | |
| 519 | E | A | -3.1299 | |
| 520 | F | A | 0.0000 | |
| 521 | V | A | 0.0000 | |
| 522 | I | A | -1.2286 | |
| 523 | E | A | 0.0000 | |
| 524 | C | A | 0.0000 | |
| 525 | L | A | 0.0000 | |
| 526 | G | A | 0.0000 | |
| 527 | T | A | 0.0000 | |
| 528 | L | A | 0.0000 | |
| 529 | A | A | 0.0000 | |
| 530 | N | A | -0.7280 | |
| 531 | L | A | 0.0000 | |
| 532 | T | A | -0.8203 | |
| 533 | I | A | 0.0000 | |
| 534 | P | A | -1.5018 | |
| 535 | D | A | -2.3016 | |
| 536 | L | A | -1.5626 | |
| 537 | D | A | -2.0383 | |
| 538 | W | A | 0.0000 | |
| 539 | E | A | -1.4976 | |
| 540 | L | A | -0.5218 | |
| 541 | V | A | 0.0000 | |
| 542 | L | A | 0.0000 | |
| 543 | K | A | -2.5177 | |
| 544 | E | A | -2.5250 | |
| 545 | Y | A | -1.6814 | |
| 546 | K | A | -2.4453 | |
| 547 | L | A | 0.0000 | |
| 548 | V | A | 0.0000 | |
| 549 | P | A | -1.4872 | |
| 550 | F | A | -1.1739 | |
| 551 | L | A | 0.0000 | |
| 552 | K | A | -2.1396 | |
| 553 | D | A | -2.7608 | |
| 554 | K | A | -2.3206 | |
| 555 | L | A | 0.0000 | |
| 556 | K | A | -2.9432 | |
| 557 | P | A | -2.2521 | |
| 558 | G | A | -1.5753 | |
| 559 | A | A | -1.7453 | |
| 560 | A | A | -2.0997 | |
| 561 | E | A | -3.0221 | |
| 562 | D | A | -2.5653 | |
| 563 | D | A | -1.9204 | |
| 564 | L | A | 0.0000 | |
| 565 | V | A | 0.0000 | |
| 566 | L | A | 0.0000 | |
| 567 | E | A | 0.0000 | |
| 568 | V | A | 0.0000 | |
| 569 | V | A | 0.0000 | |
| 570 | I | A | 0.0000 | |
| 571 | M | A | 0.0000 | |
| 572 | I | A | 0.0000 | |
| 573 | G | A | 0.0000 | |
| 574 | T | A | 0.0000 | |
| 575 | V | A | 0.0000 | |
| 576 | S | A | 0.0000 | |
| 577 | M | A | -0.2439 | |
| 578 | D | A | -1.5376 | |
| 579 | D | A | -2.1011 | |
| 580 | S | A | -1.2537 | |
| 581 | C | A | 0.0000 | |
| 582 | A | A | 0.0000 | |
| 583 | A | A | -1.1806 | |
| 584 | L | A | -0.9985 | |
| 585 | L | A | 0.0000 | |
| 586 | A | A | -0.8287 | |
| 587 | K | A | -1.6553 | |
| 588 | S | A | -1.0729 | |
| 589 | G | A | -0.8484 | |
| 590 | I | A | 0.0000 | |
| 591 | I | A | 0.0000 | |
| 592 | P | A | -1.0935 | |
| 593 | A | A | -1.6645 | |
| 594 | L | A | 0.0000 | |
| 595 | I | A | -1.2083 | |
| 596 | E | A | -2.4993 | |
| 597 | L | A | 0.0000 | |
| 598 | L | A | 0.0000 | |
| 599 | N | A | -2.3486 | |
| 600 | A | A | -2.0640 | |
| 601 | Q | A | -2.4575 | |
| 602 | Q | A | -2.9311 | |
| 603 | E | A | -3.1700 | |
| 604 | D | A | -2.4612 | |
| 605 | D | A | -2.2363 | |
| 606 | E | A | -1.2694 | |
| 607 | F | A | 0.0000 | |
| 608 | V | A | 0.0000 | |
| 609 | C | A | 0.0000 | |
| 610 | Q | A | 0.0000 | |
| 611 | I | A | 0.0000 | |
| 612 | I | A | 0.0000 | |
| 613 | Y | A | 0.0000 | |
| 614 | V | A | 0.0000 | |
| 615 | F | A | 0.0000 | |
| 616 | Y | A | 0.0000 | |
| 617 | Q | A | 0.2072 | |
| 618 | M | A | 0.0000 | |
| 619 | V | A | 0.0000 | |
| 620 | F | A | 0.6603 | |
| 621 | H | A | -0.7482 | |
| 622 | Q | A | -1.1531 | |
| 623 | A | A | -1.0108 | |
| 624 | T | A | 0.0000 | |
| 625 | R | A | 0.0000 | |
| 626 | D | A | -1.4693 | |
| 627 | V | A | -1.5890 | |
| 628 | I | A | 0.0000 | |
| 629 | I | A | 0.0000 | |
| 630 | K | A | -2.8798 | |
| 631 | E | A | -2.9270 | |
| 632 | T | A | -1.9134 | |
| 633 | Q | A | -1.7448 | |
| 634 | A | A | 0.0000 | |
| 635 | P | A | 0.0000 | |
| 636 | A | A | -0.7133 | |
| 637 | Y | A | -0.6793 | |
| 638 | L | A | 0.0000 | |
| 639 | I | A | -1.1611 | |
| 640 | D | A | -1.9203 | |
| 641 | L | A | 0.0000 | |
| 642 | M | A | 0.0000 | |
| 643 | H | A | -2.0723 | |
| 644 | D | A | -2.7615 | |
| 645 | K | A | -2.8777 | |
| 646 | N | A | -2.7814 | |
| 647 | N | A | -3.0419 | |
| 648 | E | A | -2.7837 | |
| 649 | I | A | 0.0000 | |
| 650 | R | A | -2.9419 | |
| 651 | K | A | -2.5011 | |
| 652 | V | A | 0.0000 | |
| 653 | C | A | 0.0000 | |
| 654 | D | A | -1.9773 | |
| 655 | N | A | -1.3757 | |
| 656 | T | A | 0.0000 | |
| 657 | L | A | 0.0000 | |
| 658 | D | A | -2.3998 | |
| 659 | I | A | -1.0033 | |
| 660 | I | A | 0.0000 | |
| 661 | A | A | -2.5109 | |
| 662 | E | A | -2.0577 | |
| 663 | Y | A | -0.7605 | |
| 664 | D | A | -2.0551 | |
| 665 | E | A | -3.4754 | |
| 666 | E | A | -3.4259 | |
| 667 | W | A | -2.7928 | |
| 668 | A | A | -3.3260 | |
| 669 | K | A | -3.9086 | |
| 670 | K | A | -3.2423 | |
| 671 | I | A | 0.0000 | |
| 672 | Q | A | -2.6382 | |
| 673 | S | A | -1.9527 | |
| 674 | E | A | -2.0020 | |
| 675 | K | A | -1.8598 | |
| 676 | F | A | -0.9251 | |
| 677 | R | A | -1.2606 | |
| 678 | W | A | -0.8191 | |
| 679 | H | A | -1.1992 | |
| 680 | N | A | -1.1311 | |
| 681 | S | A | -1.3228 | |
| 682 | Q | A | -1.8153 | |
| 683 | W | A | -0.7889 | |
| 684 | L | A | -1.4275 | |
| 685 | E | A | -2.7534 | |
| 686 | M | A | -1.4350 | |
| 687 | V | A | -1.6696 | |
| 688 | E | A | -3.0757 | |
| 689 | S | A | -2.4761 | |
| 690 | R | A | -3.6718 | |
| 691 | Q | A | -3.3789 | |
| 692 | L | A | -1.9189 | |
| 693 | D | A | -3.6224 | |
| 694 | E | A | -3.1201 | |
| 695 | S | A | -1.7120 | |
| 696 | E | A | -2.2245 | |
| 697 | Q | A | -1.4823 | |
| 698 | Y | A | 0.2416 | |
| 699 | L | A | 1.2874 | |
| 700 | Y | A | 1.0049 | |
| 701 | G | A | -0.6120 | |
| 702 | D | A | -2.2907 | |
| 703 | D | A | -3.0222 | |
| 704 | R | A | -2.5221 | |
| 705 | I | A | -0.0142 | |
| 706 | E | A | -0.3110 | |
| 707 | P | A | 0.6872 | |
| 708 | Y | A | 1.6131 | |
| 709 | I | A | 1.3709 | |
| 710 | H | A | -0.8276 | |
| 711 | E | A | -1.8716 | |
| 712 | G | A | -2.2128 | |
| 713 | D | A | -2.2106 | |
| 714 | I | A | -1.6432 | |
| 715 | L | A | -1.2396 | |
| 716 | E | A | -2.5982 | |
| 717 | R | A | -2.5102 | |
| 718 | P | A | -1.3590 | |
| 719 | D | A | -1.5186 | |
| 720 | L | A | 0.3255 | |
| 721 | F | A | 1.4928 | |
| 722 | Y | A | 1.0085 | |
| 723 | N | A | -0.9075 | |
| 724 | S | A | -0.9099 | |
| 725 | D | A | -1.5739 | |
| 726 | G | A | -0.1938 | |
| 727 | L | A | 1.5085 | |
| 728 | I | A | 1.9909 | |
| 729 | T | A | 0.6163 | |
| 730 | S | A | -0.4557 | |
| 731 | E | A | -1.6153 | |
| 732 | G | A | -0.6209 | |
| 733 | A | A | 0.2776 | |
| 734 | I | A | 1.2437 | |
| 735 | S | A | 0.3711 | |
| 736 | P | A | 0.2257 | |
| 737 | D | A | -0.7150 | |
| 738 | F | A | 1.3788 | |
| 739 | F | A | 1.4664 | |
| 740 | N | A | -0.5973 | |
| 741 | D | A | -0.7067 | |
| 742 | F | A | 1.1616 | |
| 743 | H | A | -0.4317 | |
| 744 | L | A | 0.1353 | |
| 745 | Q | A | -1.3295 | |
| 746 | N | A | -2.1224 | |
| 747 | G | A | -1.7736 | |
| 748 | D | A | -1.2238 | |
| 749 | V | A | 1.3234 | |
| 750 | V | A | 1.6882 | |
| 751 | G | A | -0.0604 | |
| 752 | Q | A | -1.1387 | |
| 753 | H | A | -1.0214 | |
| 754 | A | A | 0.1023 | |
| 755 | F | A | 1.3452 | |
| 756 | P | A | 0.3161 | |
| 757 | G | A | 0.0073 | |
| 758 | S | A | 0.5159 | |
| 759 | L | A | 1.3104 | |
| 760 | G | A | 0.1532 | |
| 761 | M | A | 0.3336 | |
| 762 | D | A | -1.0803 | |
| 763 | G | A | -0.5066 | |
| 764 | F | A | 0.7934 | |
| 765 | G | A | -0.3233 | |
| 766 | Q | A | -0.9162 | |
| 767 | P | A | 0.2960 | |
| 768 | L | A | 1.3624 | |
| 769 | G | A | 0.9716 | |
| 770 | I | A | 1.9884 | |
| 771 | L | A | 0.6698 | |
| 772 | G | A | -0.0666 | |
| 773 | R | A | -0.4793 | |
| 774 | P | A | 0.0000 | |
| 775 | A | A | -0.3456 | |
| 776 | T | A | -0.0479 | |
| 777 | A | A | -0.5515 | |
| 778 | Y | A | 0.2512 | |
| 779 | G | A | -0.0219 | |
| 780 | F | A | -0.6551 | |
| 781 | R | A | -2.2290 | |
| 782 | P | A | -2.6763 | |
| 783 | D | A | -3.1611 | |
| 784 | E | A | -2.4085 | |
| 785 | P | A | -0.4837 | |
| 786 | Y | A | 1.5147 | |
| 787 | Y | A | 2.3968 | |
| 788 | Y | A | 2.4656 | |
| 789 | S | A | 1.4301 | |
| 790 | F | A | 1.0808 | |
| 791 | G | A | -0.3168 | |
| 792 | S | A | -1.0522 | |
| 793 | R | A | -2.0727 |
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 | -0.7042 | 6.9715 | View | CSV | PDB |
| 4.5 | -0.8179 | 6.7609 | View | CSV | PDB |
| 5.0 | -0.9608 | 6.4998 | View | CSV | PDB |
| 5.5 | -1.1077 | 6.2289 | View | CSV | PDB |
| 6.0 | -1.2318 | 6.013 | View | CSV | PDB |
| 6.5 | -1.3142 | 5.8019 | View | CSV | PDB |
| 7.0 | -1.3528 | 5.5814 | View | CSV | PDB |
| 7.5 | -1.3603 | 5.3476 | View | CSV | PDB |
| 8.0 | -1.3501 | 5.1098 | View | CSV | PDB |
| 8.5 | -1.3266 | 4.884 | View | CSV | PDB |
| 9.0 | -1.2878 | 4.6949 | 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