| Chain sequence(s) | MAGVSFSGHRLELLAAYEEVIREESAADWALYTYEDGSDDLKLAASGEGGLQELSGHFENQKVMYGFCSVKDSQAALPKYVLINWVGEDVPDARKCACASHVAKVAEFFQGVDVIVNASSVEDIDAGAIGQRLSNGLARLSSPVLHRLRLREDENAEPVGTTYQKTDAAVEMKRINREQFWEQAKKEEELRKEEERKKALDARLRFEQERMEQERQEQEERERRYREREQQIEEHRRKQQSLEAEEAKRRLKDQSIFGDQRDEEEESQMKKSESEVEEAAAIIAQRPDNPREFFRQQERVASASGGSCDAPSPFNHRPGRPYCPFIKASDSGPSSSSSSSSSPPRTPFPYITCHRTPNLSSSLPCSHLDSHRRMAPTPIPTRSPSDSSTASTPITEQIERALDEVTSSQPPPPPPPPPPAQEAQESAPRLDGEEVCKEAKVAAAPQVWAGCAEEPPRAQEPPLLQSSPTEDLMCTESPEQAVLAASPEPDASVTSVADAHAADTIETTTATTATTIADNVTPAAASLIDLWPGNGEEASTPQAEPRVPTPPSGAEASLAEVPLLNEAAQEPLPPVGEGCANLLNFDELPEPPATFCDPEEEAEGEPLAASQVLTMPSALEEVDQVLEQELEPEPHLLTNGETTQKEGTQQASEGYFSQSQEEEFAQSEEPCAKAPPPVFYNKPPEIDITCWDADPVPEEEEGFEGGD 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. (00:00:09)
[INFO] FoldX: Starting FoldX energy minimization (00:00:10)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:27:41)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/7edff1ed448754/tmp/folded.pdb (00:27:41)
[INFO] Main: Simulation completed successfully. (00:42:38)
|
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 | 1.0276 | |
| 2 | A | A | 0.3875 | |
| 3 | G | A | -0.2500 | |
| 4 | V | A | -0.3973 | |
| 5 | S | A | -0.8149 | |
| 6 | F | A | 0.0000 | |
| 7 | S | A | -0.7794 | |
| 8 | G | A | -1.2036 | |
| 9 | H | A | -1.1036 | |
| 10 | R | A | -0.8540 | |
| 11 | L | A | 0.4811 | |
| 12 | E | A | -0.8678 | |
| 13 | L | A | 0.0000 | |
| 14 | L | A | -0.2190 | |
| 15 | A | A | -0.7613 | |
| 16 | A | A | 0.0000 | |
| 17 | Y | A | 0.0000 | |
| 18 | E | A | -2.7420 | |
| 19 | E | A | -3.1213 | |
| 20 | V | A | 0.0000 | |
| 21 | I | A | -1.9516 | |
| 22 | R | A | -3.5843 | |
| 23 | E | A | -3.6635 | |
| 24 | E | A | -3.2966 | |
| 25 | S | A | -2.7558 | |
| 26 | A | A | -1.7745 | |
| 27 | A | A | -2.0903 | |
| 28 | D | A | -1.7253 | |
| 29 | W | A | 0.0000 | |
| 30 | A | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | Y | A | 0.0000 | |
| 33 | T | A | 0.0000 | |
| 34 | Y | A | 0.0000 | |
| 35 | E | A | -2.4830 | |
| 36 | D | A | -2.7924 | |
| 37 | G | A | -1.8133 | |
| 38 | S | A | -1.5617 | |
| 39 | D | A | -1.4073 | |
| 40 | D | A | -1.5391 | |
| 41 | L | A | 0.0000 | |
| 42 | K | A | -1.2779 | |
| 43 | L | A | -0.4295 | |
| 44 | A | A | -0.1610 | |
| 45 | A | A | -0.1226 | |
| 46 | S | A | -0.8807 | |
| 47 | G | A | -1.4279 | |
| 48 | E | A | -2.3282 | |
| 49 | G | A | -1.8281 | |
| 50 | G | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | Q | A | -2.1099 | |
| 53 | E | A | -2.1924 | |
| 54 | L | A | 0.0000 | |
| 55 | S | A | -1.3021 | |
| 56 | G | A | -1.1197 | |
| 57 | H | A | -1.2242 | |
| 58 | F | A | -0.9138 | |
| 59 | E | A | -2.3908 | |
| 60 | N | A | -2.6173 | |
| 61 | Q | A | -2.9384 | |
| 62 | K | A | -2.3556 | |
| 63 | V | A | 0.0000 | |
| 64 | M | A | 0.0000 | |
| 65 | Y | A | 0.0000 | |
| 66 | G | A | 0.0000 | |
| 67 | F | A | 0.0000 | |
| 68 | C | A | 0.0000 | |
| 69 | S | A | 0.0000 | |
| 70 | V | A | -0.4632 | |
| 71 | K | A | -1.8008 | |
| 72 | D | A | -1.2741 | |
| 73 | S | A | -1.1310 | |
| 74 | Q | A | -1.4256 | |
| 75 | A | A | -0.5101 | |
| 76 | A | A | 0.2049 | |
| 77 | L | A | 0.8240 | |
| 78 | P | A | -0.4338 | |
| 79 | K | A | 0.0000 | |
| 80 | Y | A | -0.2646 | |
| 81 | V | A | 0.0000 | |
| 82 | L | A | 0.0000 | |
| 83 | I | A | 0.0000 | |
| 84 | N | A | 0.0000 | |
| 85 | W | A | 0.0000 | |
| 86 | V | A | -1.4924 | |
| 87 | G | A | 0.0000 | |
| 88 | E | A | -3.5945 | |
| 89 | D | A | -3.7861 | |
| 90 | V | A | 0.0000 | |
| 91 | P | A | -2.1714 | |
| 92 | D | A | -2.4548 | |
| 93 | A | A | -0.9808 | |
| 94 | R | A | -1.0956 | |
| 95 | K | A | -1.4717 | |
| 96 | C | A | -0.1233 | |
| 97 | A | A | -0.0859 | |
| 98 | C | A | 0.0000 | |
| 99 | A | A | 0.1266 | |
| 100 | S | A | -0.2710 | |
| 101 | H | A | 0.0000 | |
| 102 | V | A | -0.4726 | |
| 103 | A | A | -0.9095 | |
| 104 | K | A | -1.9479 | |
| 105 | V | A | 0.0000 | |
| 106 | A | A | -1.4557 | |
| 107 | E | A | -2.5791 | |
| 108 | F | A | -1.3603 | |
| 109 | F | A | 0.0000 | |
| 110 | Q | A | -1.9980 | |
| 111 | G | A | -1.3807 | |
| 112 | V | A | -0.8807 | |
| 113 | D | A | -1.3794 | |
| 114 | V | A | -0.4255 | |
| 115 | I | A | 0.3421 | |
| 116 | V | A | 0.0000 | |
| 117 | N | A | -1.2063 | |
| 118 | A | A | 0.0000 | |
| 119 | S | A | -1.3604 | |
| 120 | S | A | -0.8463 | |
| 121 | V | A | -0.1196 | |
| 122 | E | A | -1.9981 | |
| 123 | D | A | -2.2270 | |
| 124 | I | A | 0.0000 | |
| 125 | D | A | -2.6312 | |
| 126 | A | A | -1.6744 | |
| 127 | G | A | -1.4807 | |
| 128 | A | A | -1.6906 | |
| 129 | I | A | 0.0000 | |
| 130 | G | A | -1.8411 | |
| 131 | Q | A | -2.4097 | |
| 132 | R | A | -2.2024 | |
| 133 | L | A | 0.0000 | |
| 134 | S | A | -1.5360 | |
| 135 | N | A | -1.6495 | |
| 136 | G | A | -1.2240 | |
| 137 | L | A | 0.0986 | |
| 138 | A | A | -0.5098 | |
| 139 | R | A | -1.1290 | |
| 140 | L | A | 0.9028 | |
| 141 | S | A | 0.2847 | |
| 142 | S | A | 0.4432 | |
| 143 | P | A | 0.1696 | |
| 144 | V | A | 1.3704 | |
| 145 | L | A | 1.2836 | |
| 146 | H | A | -0.6997 | |
| 147 | R | A | -0.8823 | |
| 148 | L | A | 0.6556 | |
| 149 | R | A | -1.1525 | |
| 150 | L | A | -0.7330 | |
| 151 | R | A | -3.0385 | |
| 152 | E | A | -4.1166 | |
| 153 | D | A | -4.2590 | |
| 154 | E | A | -4.2921 | |
| 155 | N | A | -3.3200 | |
| 156 | A | A | -2.1967 | |
| 157 | E | A | -2.0157 | |
| 158 | P | A | -0.5228 | |
| 159 | V | A | 0.9416 | |
| 160 | G | A | 0.2427 | |
| 161 | T | A | 0.3040 | |
| 162 | T | A | -0.0416 | |
| 163 | Y | A | 0.1639 | |
| 164 | Q | A | -1.6480 | |
| 165 | K | A | -2.4314 | |
| 166 | T | A | -1.9819 | |
| 167 | D | A | -2.3283 | |
| 168 | A | A | -1.3310 | |
| 169 | A | A | -0.8316 | |
| 170 | V | A | -0.7891 | |
| 171 | E | A | -2.0983 | |
| 172 | M | A | -1.4699 | |
| 173 | K | A | -2.4215 | |
| 174 | R | A | -2.3422 | |
| 175 | I | A | -0.7479 | |
| 176 | N | A | -1.9463 | |
| 177 | R | A | -2.3898 | |
| 178 | E | A | -2.5662 | |
| 179 | Q | A | -1.7693 | |
| 180 | F | A | 0.0597 | |
| 181 | W | A | -0.7450 | |
| 182 | E | A | -2.4379 | |
| 183 | Q | A | -2.3094 | |
| 184 | A | A | -1.7792 | |
| 185 | K | A | -2.8045 | |
| 186 | K | A | -3.3600 | |
| 187 | E | A | -3.7566 | |
| 188 | E | A | -4.2984 | |
| 189 | E | A | -4.1856 | |
| 190 | L | A | -3.1964 | |
| 191 | R | A | -5.3656 | |
| 192 | K | A | -5.9868 | |
| 193 | E | A | -5.7142 | |
| 194 | E | A | -5.9836 | |
| 195 | E | A | -6.1598 | |
| 196 | R | A | -5.6463 | |
| 197 | K | A | -5.6687 | |
| 198 | K | A | -4.9011 | |
| 199 | A | A | -3.2740 | |
| 200 | L | A | -1.9905 | |
| 201 | D | A | -2.8825 | |
| 202 | A | A | -2.2366 | |
| 203 | R | A | -2.3454 | |
| 204 | L | A | -1.5061 | |
| 205 | R | A | -2.9058 | |
| 206 | F | A | -2.1053 | |
| 207 | E | A | -3.3383 | |
| 208 | Q | A | -3.6303 | |
| 209 | E | A | -4.4214 | |
| 210 | R | A | -4.3204 | |
| 211 | M | A | -3.2000 | |
| 212 | E | A | -3.9654 | |
| 213 | Q | A | -4.7371 | |
| 214 | E | A | -5.0777 | |
| 215 | R | A | -4.9298 | |
| 216 | Q | A | -4.9278 | |
| 217 | E | A | -5.0751 | |
| 218 | Q | A | -5.4388 | |
| 219 | E | A | -5.2706 | |
| 220 | E | A | -5.2126 | |
| 221 | R | A | -4.9640 | |
| 222 | E | A | -5.0537 | |
| 223 | R | A | -5.7718 | |
| 224 | R | A | -5.1148 | |
| 225 | Y | A | -3.9353 | |
| 226 | R | A | -5.2950 | |
| 227 | E | A | -5.5182 | |
| 228 | R | A | -4.9887 | |
| 229 | E | A | -4.6652 | |
| 230 | Q | A | -4.3480 | |
| 231 | Q | A | -4.0226 | |
| 232 | I | A | -2.4702 | |
| 233 | E | A | -3.7026 | |
| 234 | E | A | -4.8711 | |
| 235 | H | A | -4.2466 | |
| 236 | R | A | -4.3666 | |
| 237 | R | A | -4.9941 | |
| 238 | K | A | -4.4625 | |
| 239 | Q | A | -4.0891 | |
| 240 | Q | A | -4.0387 | |
| 241 | S | A | -2.9093 | |
| 242 | L | A | -2.3478 | |
| 243 | E | A | -3.7122 | |
| 244 | A | A | -3.1689 | |
| 245 | E | A | -3.7733 | |
| 246 | E | A | -4.1824 | |
| 247 | A | A | -3.4732 | |
| 248 | K | A | -4.5072 | |
| 249 | R | A | -5.3349 | |
| 250 | R | A | -4.3696 | |
| 251 | L | A | -2.4947 | |
| 252 | K | A | -3.6164 | |
| 253 | D | A | -3.2515 | |
| 254 | Q | A | -2.2889 | |
| 255 | S | A | -1.9728 | |
| 256 | I | A | -0.4792 | |
| 257 | F | A | -0.1809 | |
| 258 | G | A | -2.3696 | |
| 259 | D | A | -4.4138 | |
| 260 | Q | A | -4.1590 | |
| 261 | R | A | -5.2466 | |
| 262 | D | A | -6.0584 | |
| 263 | E | A | -6.2071 | |
| 264 | E | A | -6.1984 | |
| 265 | E | A | -6.0948 | |
| 266 | E | A | -5.3311 | |
| 267 | S | A | -4.5045 | |
| 268 | Q | A | -4.4188 | |
| 269 | M | A | -3.8046 | |
| 270 | K | A | -4.2374 | |
| 271 | K | A | -4.2622 | |
| 272 | S | A | -3.2731 | |
| 273 | E | A | -3.8492 | |
| 274 | S | A | -3.6247 | |
| 275 | E | A | -3.5016 | |
| 276 | V | A | -1.5697 | |
| 277 | E | A | -2.8393 | |
| 278 | E | A | -2.5892 | |
| 279 | A | A | -0.7613 | |
| 280 | A | A | -0.3463 | |
| 281 | A | A | -0.5529 | |
| 282 | I | A | 0.5240 | |
| 283 | I | A | 0.1241 | |
| 284 | A | A | -0.6759 | |
| 285 | Q | A | -1.6602 | |
| 286 | R | A | -2.6771 | |
| 287 | P | A | -2.3696 | |
| 288 | D | A | -3.0193 | |
| 289 | N | A | -2.3563 | |
| 290 | P | A | -1.5185 | |
| 291 | R | A | -1.8642 | |
| 292 | E | A | -1.8041 | |
| 293 | F | A | -0.2205 | |
| 294 | F | A | -0.4257 | |
| 295 | R | A | -2.8143 | |
| 296 | Q | A | -2.5410 | |
| 297 | Q | A | -2.1572 | |
| 298 | E | A | -3.0723 | |
| 299 | R | A | -2.7449 | |
| 300 | V | A | -0.6803 | |
| 301 | A | A | -0.8536 | |
| 302 | S | A | -0.9668 | |
| 303 | A | A | -0.3671 | |
| 304 | S | A | -0.3708 | |
| 305 | G | A | -0.7809 | |
| 306 | G | A | -0.9048 | |
| 307 | S | A | -0.6564 | |
| 308 | C | A | -0.4186 | |
| 309 | D | A | -1.5951 | |
| 310 | A | A | -0.9041 | |
| 311 | P | A | -0.4886 | |
| 312 | S | A | -0.2092 | |
| 313 | P | A | -0.0026 | |
| 314 | F | A | 0.5149 | |
| 315 | N | A | -1.4541 | |
| 316 | H | A | -2.0782 | |
| 317 | R | A | -2.8639 | |
| 318 | P | A | -2.2346 | |
| 319 | G | A | -2.1576 | |
| 320 | R | A | -2.1909 | |
| 321 | P | A | -0.5012 | |
| 322 | Y | A | 1.1188 | |
| 323 | C | A | 1.7828 | |
| 324 | P | A | 1.7966 | |
| 325 | F | A | 2.5663 | |
| 326 | I | A | 2.1205 | |
| 327 | K | A | -0.4944 | |
| 328 | A | A | -0.8058 | |
| 329 | S | A | -1.4893 | |
| 330 | D | A | -2.3350 | |
| 331 | S | A | -1.4868 | |
| 332 | G | A | -1.2204 | |
| 333 | P | A | -0.9266 | |
| 334 | S | A | -0.6161 | |
| 335 | S | A | -0.5390 | |
| 336 | S | A | -0.5305 | |
| 337 | S | A | -0.5422 | |
| 338 | S | A | -0.5158 | |
| 339 | S | A | -0.5249 | |
| 340 | S | A | -0.5782 | |
| 341 | S | A | -0.5506 | |
| 342 | S | A | -0.7610 | |
| 343 | P | A | -0.9220 | |
| 344 | P | A | -1.3733 | |
| 345 | R | A | -2.1336 | |
| 346 | T | A | -0.7823 | |
| 347 | P | A | 0.1686 | |
| 348 | F | A | 1.9389 | |
| 349 | P | A | 1.7911 | |
| 350 | Y | A | 2.5903 | |
| 351 | I | A | 2.7299 | |
| 352 | T | A | 1.2888 | |
| 353 | C | A | 0.1313 | |
| 354 | H | A | -1.5075 | |
| 355 | R | A | -2.2399 | |
| 356 | T | A | -1.4353 | |
| 357 | P | A | -0.9899 | |
| 358 | N | A | -0.6771 | |
| 359 | L | A | 0.6695 | |
| 360 | S | A | 0.2396 | |
| 361 | S | A | 0.0893 | |
| 362 | S | A | 0.4216 | |
| 363 | L | A | 1.3515 | |
| 364 | P | A | 0.6575 | |
| 365 | C | A | 0.5787 | |
| 366 | S | A | 0.0963 | |
| 367 | H | A | -0.6371 | |
| 368 | L | A | -0.0467 | |
| 369 | D | A | -1.4571 | |
| 370 | S | A | -1.7240 | |
| 371 | H | A | -2.7559 | |
| 372 | R | A | -3.0899 | |
| 373 | R | A | -2.4157 | |
| 374 | M | A | -0.2878 | |
| 375 | A | A | 0.0585 | |
| 376 | P | A | -0.0837 | |
| 377 | T | A | 0.1166 | |
| 378 | P | A | 0.5638 | |
| 379 | I | A | 1.7373 | |
| 380 | P | A | 0.2725 | |
| 381 | T | A | -0.8074 | |
| 382 | R | A | -2.0916 | |
| 383 | S | A | -1.5001 | |
| 384 | P | A | -1.3052 | |
| 385 | S | A | -1.4343 | |
| 386 | D | A | -2.1344 | |
| 387 | S | A | -1.2349 | |
| 388 | S | A | -0.7385 | |
| 389 | T | A | -0.2576 | |
| 390 | A | A | -0.1550 | |
| 391 | S | A | -0.0663 | |
| 392 | T | A | 0.1509 | |
| 393 | P | A | 0.1509 | |
| 394 | I | A | 1.2862 | |
| 395 | T | A | -0.4375 | |
| 396 | E | A | -2.1270 | |
| 397 | Q | A | -1.5936 | |
| 398 | I | A | 0.0432 | |
| 399 | E | A | -2.4152 | |
| 400 | R | A | -3.0639 | |
| 401 | A | A | -0.9126 | |
| 402 | L | A | -0.1389 | |
| 403 | D | A | -2.2694 | |
| 404 | E | A | -1.7825 | |
| 405 | V | A | 0.6785 | |
| 406 | T | A | -0.2130 | |
| 407 | S | A | -0.8575 | |
| 408 | S | A | -0.7681 | |
| 409 | Q | A | -1.5846 | |
| 410 | P | A | -1.1296 | |
| 411 | P | A | -0.9008 | |
| 412 | P | A | -0.8117 | |
| 413 | P | A | -0.6942 | |
| 414 | P | A | -0.6907 | |
| 415 | P | A | -0.6886 | |
| 416 | P | A | -0.6956 | |
| 417 | P | A | -0.6487 | |
| 418 | P | A | -0.7282 | |
| 419 | P | A | -1.0165 | |
| 420 | A | A | -1.2284 | |
| 421 | Q | A | -2.2782 | |
| 422 | E | A | -2.9704 | |
| 423 | A | A | -2.1470 | |
| 424 | Q | A | -2.7661 | |
| 425 | E | A | -2.8034 | |
| 426 | S | A | -1.3977 | |
| 427 | A | A | -1.0696 | |
| 428 | P | A | -1.0135 | |
| 429 | R | A | -1.6693 | |
| 430 | L | A | -0.4125 | |
| 431 | D | A | -2.1659 | |
| 432 | G | A | -2.4177 | |
| 433 | E | A | -2.9733 | |
| 434 | E | A | -1.7041 | |
| 435 | V | A | 0.3766 | |
| 436 | C | A | -0.0579 | |
| 437 | K | A | -1.8067 | |
| 438 | E | A | -2.8434 | |
| 439 | A | A | -1.6345 | |
| 440 | K | A | -1.2249 | |
| 441 | V | A | 1.0162 | |
| 442 | A | A | 0.6393 | |
| 443 | A | A | 0.4475 | |
| 444 | A | A | -0.2523 | |
| 445 | P | A | -0.3756 | |
| 446 | Q | A | -0.0492 | |
| 447 | V | A | 1.6111 | |
| 448 | W | A | 1.7865 | |
| 449 | A | A | 0.9787 | |
| 450 | G | A | 0.4309 | |
| 451 | C | A | 0.2725 | |
| 452 | A | A | -0.9506 | |
| 453 | E | A | -2.5535 | |
| 454 | E | A | -3.0594 | |
| 455 | P | A | -2.1956 | |
| 456 | P | A | -1.6700 | |
| 457 | R | A | -2.4529 | |
| 458 | A | A | -1.9479 | |
| 459 | Q | A | -2.5292 | |
| 460 | E | A | -2.3990 | |
| 461 | P | A | -1.1892 | |
| 462 | P | A | 0.0958 | |
| 463 | L | A | 1.7339 | |
| 464 | L | A | 1.7372 | |
| 465 | Q | A | -0.2960 | |
| 466 | S | A | -0.5618 | |
| 467 | S | A | -0.7587 | |
| 468 | P | A | -0.9620 | |
| 469 | T | A | -1.6340 | |
| 470 | E | A | -2.5926 | |
| 471 | D | A | -1.9038 | |
| 472 | L | A | 0.9370 | |
| 473 | M | A | 1.8187 | |
| 474 | C | A | 1.1724 | |
| 475 | T | A | -0.4701 | |
| 476 | E | A | -1.8693 | |
| 477 | S | A | -1.6533 | |
| 478 | P | A | -1.9066 | |
| 479 | E | A | -2.5757 | |
| 480 | Q | A | -1.7247 | |
| 481 | A | A | 0.4335 | |
| 482 | V | A | 2.2855 | |
| 483 | L | A | 2.4460 | |
| 484 | A | A | 1.2781 | |
| 485 | A | A | 0.4952 | |
| 486 | S | A | -0.6926 | |
| 487 | P | A | -1.2867 | |
| 488 | E | A | -2.5081 | |
| 489 | P | A | -2.2002 | |
| 490 | D | A | -2.3205 | |
| 491 | A | A | -0.9404 | |
| 492 | S | A | 0.1677 | |
| 493 | V | A | 1.6009 | |
| 494 | T | A | 1.1073 | |
| 495 | S | A | 0.8993 | |
| 496 | V | A | 1.2555 | |
| 497 | A | A | -0.0994 | |
| 498 | D | A | -1.5227 | |
| 499 | A | A | -1.2617 | |
| 500 | H | A | -1.2631 | |
| 501 | A | A | -0.7764 | |
| 502 | A | A | -1.0349 | |
| 503 | D | A | -1.3209 | |
| 504 | T | A | -0.3434 | |
| 505 | I | A | 0.6579 | |
| 506 | E | A | -0.8980 | |
| 507 | T | A | -0.5015 | |
| 508 | T | A | -0.5414 | |
| 509 | T | A | -0.1016 | |
| 510 | A | A | -0.0491 | |
| 511 | T | A | -0.0796 | |
| 512 | T | A | -0.0790 | |
| 513 | A | A | -0.0448 | |
| 514 | T | A | 0.3548 | |
| 515 | T | A | 0.7017 | |
| 516 | I | A | 1.4192 | |
| 517 | A | A | -0.0860 | |
| 518 | D | A | -1.5756 | |
| 519 | N | A | -1.0755 | |
| 520 | V | A | 0.7492 | |
| 521 | T | A | 0.3903 | |
| 522 | P | A | 0.1432 | |
| 523 | A | A | -0.0388 | |
| 524 | A | A | 0.2031 | |
| 525 | A | A | 0.5530 | |
| 526 | S | A | 0.8412 | |
| 527 | L | A | 2.1091 | |
| 528 | I | A | 2.1939 | |
| 529 | D | A | 0.4414 | |
| 530 | L | A | 1.5345 | |
| 531 | W | A | 1.3640 | |
| 532 | P | A | 0.0611 | |
| 533 | G | A | -1.0490 | |
| 534 | N | A | -2.2185 | |
| 535 | G | A | -2.6593 | |
| 536 | E | A | -3.2817 | |
| 537 | E | A | -2.7942 | |
| 538 | A | A | -1.3598 | |
| 539 | S | A | -0.6298 | |
| 540 | T | A | -0.5395 | |
| 541 | P | A | -0.9028 | |
| 542 | Q | A | -1.6647 | |
| 543 | A | A | -1.5315 | |
| 544 | E | A | -2.5697 | |
| 545 | P | A | -1.8325 | |
| 546 | R | A | -1.5728 | |
| 547 | V | A | 0.6969 | |
| 548 | P | A | 0.1777 | |
| 549 | T | A | 0.0299 | |
| 550 | P | A | -0.5020 | |
| 551 | P | A | -0.5872 | |
| 552 | S | A | -0.5998 | |
| 553 | G | A | -0.9986 | |
| 554 | A | A | -1.2308 | |
| 555 | E | A | -1.9056 | |
| 556 | A | A | -0.5970 | |
| 557 | S | A | 0.2151 | |
| 558 | L | A | 1.1025 | |
| 559 | A | A | 0.1415 | |
| 560 | E | A | -0.6801 | |
| 561 | V | A | 1.1228 | |
| 562 | P | A | 1.2496 | |
| 563 | L | A | 2.2466 | |
| 564 | L | A | 1.0866 | |
| 565 | N | A | -0.9215 | |
| 566 | E | A | -2.0238 | |
| 567 | A | A | -1.2541 | |
| 568 | A | A | -1.2395 | |
| 569 | Q | A | -2.1750 | |
| 570 | E | A | -2.2312 | |
| 571 | P | A | -0.8658 | |
| 572 | L | A | 0.8122 | |
| 573 | P | A | 0.7506 | |
| 574 | P | A | 0.5207 | |
| 575 | V | A | 0.9087 | |
| 576 | G | A | -0.5756 | |
| 577 | E | A | -1.7160 | |
| 578 | G | A | -0.9170 | |
| 579 | C | A | 0.0201 | |
| 580 | A | A | 0.0385 | |
| 581 | N | A | -0.1485 | |
| 582 | L | A | 1.7722 | |
| 583 | L | A | 1.7202 | |
| 584 | N | A | -0.2526 | |
| 585 | F | A | 0.9423 | |
| 586 | D | A | -1.5492 | |
| 587 | E | A | -1.8963 | |
| 588 | L | A | 0.0208 | |
| 589 | P | A | -1.1208 | |
| 590 | E | A | -1.9572 | |
| 591 | P | A | -1.1177 | |
| 592 | P | A | -0.6382 | |
| 593 | A | A | 0.0840 | |
| 594 | T | A | 0.7420 | |
| 595 | F | A | 1.7876 | |
| 596 | C | A | 0.5224 | |
| 597 | D | A | -1.7422 | |
| 598 | P | A | -2.2190 | |
| 599 | E | A | -3.6624 | |
| 600 | E | A | -4.0644 | |
| 601 | E | A | -3.5972 | |
| 602 | A | A | -2.5589 | |
| 603 | E | A | -2.9777 | |
| 604 | G | A | -2.2560 | |
| 605 | E | A | -2.2102 | |
| 606 | P | A | -0.4517 | |
| 607 | L | A | 1.0812 | |
| 608 | A | A | 0.7427 | |
| 609 | A | A | 0.2104 | |
| 610 | S | A | -0.2343 | |
| 611 | Q | A | -0.0356 | |
| 612 | V | A | 1.8806 | |
| 613 | L | A | 2.2692 | |
| 614 | T | A | 1.4158 | |
| 615 | M | A | 1.1489 | |
| 616 | P | A | 0.2428 | |
| 617 | S | A | 0.0287 | |
| 618 | A | A | 0.2212 | |
| 619 | L | A | 0.0655 | |
| 620 | E | A | -1.7805 | |
| 621 | E | A | -1.9698 | |
| 622 | V | A | -0.6050 | |
| 623 | D | A | -1.5916 | |
| 624 | Q | A | -0.3384 | |
| 625 | V | A | 1.2142 | |
| 626 | L | A | 0.9262 | |
| 627 | E | A | -1.5980 | |
| 628 | Q | A | -2.2911 | |
| 629 | E | A | -2.3858 | |
| 630 | L | A | -0.5646 | |
| 631 | E | A | -2.0547 | |
| 632 | P | A | -1.8785 | |
| 633 | E | A | -2.7105 | |
| 634 | P | A | -1.6571 | |
| 635 | H | A | -0.4223 | |
| 636 | L | A | 1.7625 | |
| 637 | L | A | 1.7903 | |
| 638 | T | A | 0.2893 | |
| 639 | N | A | -1.5733 | |
| 640 | G | A | -1.9934 | |
| 641 | E | A | -2.3542 | |
| 642 | T | A | -1.3470 | |
| 643 | T | A | -1.3795 | |
| 644 | Q | A | -2.4559 | |
| 645 | K | A | -3.3614 | |
| 646 | E | A | -3.2219 | |
| 647 | G | A | -2.0533 | |
| 648 | T | A | -1.4816 | |
| 649 | Q | A | -1.9022 | |
| 650 | Q | A | -2.0154 | |
| 651 | A | A | -1.4913 | |
| 652 | S | A | -1.4034 | |
| 653 | E | A | -1.9484 | |
| 654 | G | A | -0.3657 | |
| 655 | Y | A | 1.5009 | |
| 656 | F | A | 2.1234 | |
| 657 | S | A | 0.2235 | |
| 658 | Q | A | -1.4982 | |
| 659 | S | A | -2.1217 | |
| 660 | Q | A | -3.1418 | |
| 661 | E | A | -3.7182 | |
| 662 | E | A | -3.4075 | |
| 663 | E | A | -2.3260 | |
| 664 | F | A | 0.1848 | |
| 665 | A | A | -0.0625 | |
| 666 | Q | A | -1.2759 | |
| 667 | S | A | -2.0993 | |
| 668 | E | A | -3.1242 | |
| 669 | E | A | -2.7316 | |
| 670 | P | A | -1.2997 | |
| 671 | C | A | -0.0940 | |
| 672 | A | A | -0.4805 | |
| 673 | K | A | -1.5735 | |
| 674 | A | A | -0.9606 | |
| 675 | P | A | -0.5599 | |
| 676 | P | A | -0.0025 | |
| 677 | P | A | 1.0935 | |
| 678 | V | A | 2.6781 | |
| 679 | F | A | 2.7283 | |
| 680 | Y | A | 1.4435 | |
| 681 | N | A | -0.7365 | |
| 682 | K | A | -2.0809 | |
| 683 | P | A | -1.3887 | |
| 684 | P | A | -1.2838 | |
| 685 | E | A | -1.5067 | |
| 686 | I | A | 0.8018 | |
| 687 | D | A | -0.0950 | |
| 688 | I | A | 1.7135 | |
| 689 | T | A | 0.8599 | |
| 690 | C | A | 1.0563 | |
| 691 | W | A | 0.6710 | |
| 692 | D | A | -1.2953 | |
| 693 | A | A | -0.9062 | |
| 694 | D | A | -1.7244 | |
| 695 | P | A | -0.8201 | |
| 696 | V | A | 0.3062 | |
| 697 | P | A | -1.3857 | |
| 698 | E | A | -3.1184 | |
| 699 | E | A | -4.0015 | |
| 700 | E | A | -3.9557 | |
| 701 | E | A | -3.4570 | |
| 702 | G | A | -1.8095 | |
| 703 | F | A | -0.0585 | |
| 704 | E | A | -1.6373 | |
| 705 | G | A | -1.7045 | |
| 706 | G | A | -1.7639 | |
| 707 | D | A | -2.1087 |
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 | -0.298 | 6.3379 | View | CSV | PDB |
| 4.5 | -0.4472 | 6.3379 | View | CSV | PDB |
| 5.0 | -0.6482 | 6.3379 | View | CSV | PDB |
| 5.5 | -0.8682 | 6.3379 | View | CSV | PDB |
| 6.0 | -1.0718 | 6.3379 | View | CSV | PDB |
| 6.5 | -1.2293 | 6.3379 | View | CSV | PDB |
| 7.0 | -1.3258 | 6.3379 | View | CSV | PDB |
| 7.5 | -1.3723 | 6.3831 | View | CSV | PDB |
| 8.0 | -1.3902 | 6.4954 | View | CSV | PDB |
| 8.5 | -1.3916 | 6.6093 | View | CSV | PDB |
| 9.0 | -1.3785 | 6.723 | 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