| Chain sequence(s) | MAGVSFSGHRLELLAAYEEVIREESAADWALYTYEDGSDDLKLAASGEGGLQELSGHFENQKVMYGFCSVKDSQAALPKYVLINWVGEDVPDARKCACASHVAKVAEFFQGVDVIVNASSVEDIDAGAIGQRLSNGLARLSSPVLHRLRLREDENAEPVGTTYQKTDAAVEMKRINREQFWEQAKKEEELRKEEERKKALDARLRFEQERMEQERQEQEERERRYREREQQIEEHRRKQQSLEAEEAKRRLKEQSIFGDQRDEEEESQMKKSESEVEEAAAIIAQRPDNPREFFRQQERVASASGGSCDAPAPAPFNHRPGRPYCPFIKASDSGPSSSSSSSSSPPRTPFPYITCHRTPNLSSSLPCSHLDSHRRMAPTPIPTRSPSDSSTASTPIAEQIERALDEVTSSQPPPPPPPPPPTQEAQETTPSLDEELSKEAKVTAAPEVWAGCAAEPPQAQEPPLLQSSPLEDSMCTESPEQAALAAPAEPAASVTSVADVHAADTIETTTATTDTTIANNVTPAAASLIDLWPGNGEEASTLQAEPRVPTPPSGAEASLAEVPLLNEAAQEPLPPVGEGCANLLNFDELPEPPATFCDPEEEVGETLAASQVLTMPSALEEVDQVLEQELEPEPHLLTNGETTQKEGTQASEGYFSQSQEEEFAQSEEPCAKVPPPVFYNKPPEIDITCWDADPVPEEEEGFEGGD 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. (00:00:11)
[INFO] FoldX: Starting FoldX energy minimization (00:00:12)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:30:06)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c8696797f47d23/tmp/folded.pdb (00:30:06)
[INFO] Main: Simulation completed successfully. (00:44:42)
|
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 | 1.0071 | |
| 2 | A | A | 0.3683 | |
| 3 | G | A | -0.2648 | |
| 4 | V | A | 0.0000 | |
| 5 | S | A | -0.8250 | |
| 6 | F | A | 0.0000 | |
| 7 | S | A | -0.7824 | |
| 8 | G | A | -1.0874 | |
| 9 | H | A | -0.9673 | |
| 10 | R | A | -0.7849 | |
| 11 | L | A | 0.5816 | |
| 12 | E | A | -0.6173 | |
| 13 | L | A | 0.0000 | |
| 14 | L | A | -0.1394 | |
| 15 | A | A | -0.6786 | |
| 16 | A | A | 0.0000 | |
| 17 | Y | A | 0.0000 | |
| 18 | E | A | -2.6293 | |
| 19 | E | A | -3.1600 | |
| 20 | V | A | 0.0000 | |
| 21 | I | A | -2.0088 | |
| 22 | R | A | -3.8176 | |
| 23 | E | A | -3.6317 | |
| 24 | E | A | -3.3846 | |
| 25 | S | A | -2.8582 | |
| 26 | A | A | -1.8803 | |
| 27 | A | A | -2.2120 | |
| 28 | D | A | -1.9373 | |
| 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 | -2.2344 | |
| 36 | D | A | -2.6501 | |
| 37 | G | A | -1.7041 | |
| 38 | S | A | -1.4077 | |
| 39 | D | A | -1.2192 | |
| 40 | D | A | -1.4514 | |
| 41 | L | A | 0.0000 | |
| 42 | K | A | -1.2161 | |
| 43 | L | A | -0.3458 | |
| 44 | A | A | -0.1373 | |
| 45 | A | A | -0.1127 | |
| 46 | S | A | -0.9009 | |
| 47 | G | A | -1.4810 | |
| 48 | E | A | -2.3960 | |
| 49 | G | A | -1.8764 | |
| 50 | G | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | Q | A | -2.1111 | |
| 53 | E | A | -2.2452 | |
| 54 | L | A | 0.0000 | |
| 55 | S | A | -1.2784 | |
| 56 | G | A | -1.0728 | |
| 57 | H | A | -1.1289 | |
| 58 | F | A | -0.7952 | |
| 59 | E | A | -2.1697 | |
| 60 | N | A | -2.6026 | |
| 61 | Q | A | -2.9736 | |
| 62 | K | A | -2.2136 | |
| 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 | -0.6548 | |
| 70 | V | A | -0.5025 | |
| 71 | K | A | -1.6359 | |
| 72 | D | A | -1.2606 | |
| 73 | S | A | -1.1196 | |
| 74 | Q | A | -1.4199 | |
| 75 | A | A | -0.5311 | |
| 76 | A | A | 0.2073 | |
| 77 | L | A | 0.8388 | |
| 78 | P | A | -0.2402 | |
| 79 | K | A | 0.0000 | |
| 80 | Y | A | -0.2932 | |
| 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 | -1.4609 | |
| 87 | G | A | 0.0000 | |
| 88 | E | A | -3.5867 | |
| 89 | D | A | -3.8028 | |
| 90 | V | A | 0.0000 | |
| 91 | P | A | -2.1876 | |
| 92 | D | A | -2.4662 | |
| 93 | A | A | -1.0120 | |
| 94 | R | A | -1.1410 | |
| 95 | K | A | -1.4624 | |
| 96 | C | A | -0.1409 | |
| 97 | A | A | -0.1875 | |
| 98 | C | A | 0.0000 | |
| 99 | A | A | 0.1149 | |
| 100 | S | A | -0.2654 | |
| 101 | H | A | 0.0000 | |
| 102 | V | A | -0.4491 | |
| 103 | A | A | -0.8074 | |
| 104 | K | A | -1.7335 | |
| 105 | V | A | 0.0000 | |
| 106 | A | A | -1.3962 | |
| 107 | E | A | -2.4567 | |
| 108 | F | A | -1.1788 | |
| 109 | F | A | 0.0000 | |
| 110 | Q | A | -1.9751 | |
| 111 | G | A | -1.3750 | |
| 112 | V | A | -0.9150 | |
| 113 | D | A | -1.3334 | |
| 114 | V | A | -0.5209 | |
| 115 | I | A | 0.1526 | |
| 116 | V | A | 0.0000 | |
| 117 | N | A | -1.2632 | |
| 118 | A | A | 0.0000 | |
| 119 | S | A | -1.3483 | |
| 120 | S | A | -0.8336 | |
| 121 | V | A | -0.1195 | |
| 122 | E | A | -1.9892 | |
| 123 | D | A | -2.2262 | |
| 124 | I | A | 0.0000 | |
| 125 | D | A | -2.5936 | |
| 126 | A | A | -1.6628 | |
| 127 | G | A | -1.5139 | |
| 128 | A | A | -1.6789 | |
| 129 | I | A | 0.0000 | |
| 130 | G | A | -1.7730 | |
| 131 | Q | A | -2.3111 | |
| 132 | R | A | -2.0427 | |
| 133 | L | A | 0.0000 | |
| 134 | S | A | -1.3415 | |
| 135 | N | A | -1.3583 | |
| 136 | G | A | -1.0461 | |
| 137 | L | A | 0.2947 | |
| 138 | A | A | -0.4100 | |
| 139 | R | A | -1.0591 | |
| 140 | L | A | 0.8686 | |
| 141 | S | A | 0.1029 | |
| 142 | S | A | 0.2905 | |
| 143 | P | A | 0.0214 | |
| 144 | V | A | 1.1318 | |
| 145 | L | A | 0.7948 | |
| 146 | H | A | -1.0012 | |
| 147 | R | A | -1.1278 | |
| 148 | L | A | 0.3518 | |
| 149 | R | A | -1.5775 | |
| 150 | L | A | -0.9640 | |
| 151 | R | A | -3.1067 | |
| 152 | E | A | -4.1778 | |
| 153 | D | A | -4.2604 | |
| 154 | E | A | -4.3282 | |
| 155 | N | A | -3.4084 | |
| 156 | A | A | -2.2826 | |
| 157 | E | A | -2.0472 | |
| 158 | P | A | -0.5353 | |
| 159 | V | A | 0.9267 | |
| 160 | G | A | 0.2412 | |
| 161 | T | A | 0.3538 | |
| 162 | T | A | -0.0646 | |
| 163 | Y | A | 0.1382 | |
| 164 | Q | A | -1.6697 | |
| 165 | K | A | -2.4516 | |
| 166 | T | A | -1.9897 | |
| 167 | D | A | -2.3862 | |
| 168 | A | A | -1.3819 | |
| 169 | A | A | -0.9200 | |
| 170 | V | A | -0.8365 | |
| 171 | E | A | -2.2376 | |
| 172 | M | A | -1.7668 | |
| 173 | K | A | -2.8503 | |
| 174 | R | A | -2.7474 | |
| 175 | I | A | -1.4392 | |
| 176 | N | A | -2.2992 | |
| 177 | R | A | -2.3924 | |
| 178 | E | A | -2.7282 | |
| 179 | Q | A | -1.9710 | |
| 180 | F | A | -0.0479 | |
| 181 | W | A | -0.7742 | |
| 182 | E | A | -2.6793 | |
| 183 | Q | A | -2.4517 | |
| 184 | A | A | -1.8258 | |
| 185 | K | A | -3.0113 | |
| 186 | K | A | -3.3551 | |
| 187 | E | A | -3.4054 | |
| 188 | E | A | -4.2237 | |
| 189 | E | A | -3.9268 | |
| 190 | L | A | -2.8957 | |
| 191 | R | A | -4.9420 | |
| 192 | K | A | -5.6984 | |
| 193 | E | A | -5.4035 | |
| 194 | E | A | -5.8118 | |
| 195 | E | A | -6.0594 | |
| 196 | R | A | -5.5961 | |
| 197 | K | A | -5.7147 | |
| 198 | K | A | -4.9960 | |
| 199 | A | A | -3.4408 | |
| 200 | L | A | -2.2674 | |
| 201 | D | A | -3.1195 | |
| 202 | A | A | -2.3952 | |
| 203 | R | A | -2.5998 | |
| 204 | L | A | -1.6489 | |
| 205 | R | A | -2.9284 | |
| 206 | F | A | -1.9326 | |
| 207 | E | A | -3.3491 | |
| 208 | Q | A | -3.7198 | |
| 209 | E | A | -4.3695 | |
| 210 | R | A | -4.2623 | |
| 211 | M | A | -3.2267 | |
| 212 | E | A | -3.7571 | |
| 213 | Q | A | -4.5418 | |
| 214 | E | A | -4.7645 | |
| 215 | R | A | -4.3006 | |
| 216 | Q | A | -4.4438 | |
| 217 | E | A | -4.6426 | |
| 218 | Q | A | -4.7403 | |
| 219 | E | A | -4.8362 | |
| 220 | E | A | -4.8659 | |
| 221 | R | A | -4.5337 | |
| 222 | E | A | -4.7589 | |
| 223 | R | A | -5.4957 | |
| 224 | R | A | -4.7645 | |
| 225 | Y | A | -3.7179 | |
| 226 | R | A | -5.1611 | |
| 227 | E | A | -5.3710 | |
| 228 | R | A | -4.8817 | |
| 229 | E | A | -4.5766 | |
| 230 | Q | A | -4.4499 | |
| 231 | Q | A | -4.0343 | |
| 232 | I | A | -2.5085 | |
| 233 | E | A | -3.7660 | |
| 234 | E | A | -4.9735 | |
| 235 | H | A | -4.4053 | |
| 236 | R | A | -4.6944 | |
| 237 | R | A | -5.1981 | |
| 238 | K | A | -4.6195 | |
| 239 | Q | A | -4.3386 | |
| 240 | Q | A | -4.3256 | |
| 241 | S | A | -3.1041 | |
| 242 | L | A | -2.4687 | |
| 243 | E | A | -3.7771 | |
| 244 | A | A | -3.2969 | |
| 245 | E | A | -3.9750 | |
| 246 | E | A | -4.0833 | |
| 247 | A | A | -3.4690 | |
| 248 | K | A | -4.5749 | |
| 249 | R | A | -5.3743 | |
| 250 | R | A | -4.4201 | |
| 251 | L | A | -2.4198 | |
| 252 | K | A | -3.7611 | |
| 253 | E | A | -3.5369 | |
| 254 | Q | A | -2.5254 | |
| 255 | S | A | -2.1767 | |
| 256 | I | A | -1.1374 | |
| 257 | F | A | -0.6798 | |
| 258 | G | A | -2.6338 | |
| 259 | D | A | -4.6031 | |
| 260 | Q | A | -4.3145 | |
| 261 | R | A | -5.3376 | |
| 262 | D | A | -6.0305 | |
| 263 | E | A | -6.2362 | |
| 264 | E | A | -6.2200 | |
| 265 | E | A | -6.1051 | |
| 266 | E | A | -5.3778 | |
| 267 | S | A | -4.4957 | |
| 268 | Q | A | -4.3940 | |
| 269 | M | A | -3.7783 | |
| 270 | K | A | -4.2396 | |
| 271 | K | A | -4.2668 | |
| 272 | S | A | -3.2780 | |
| 273 | E | A | -3.8572 | |
| 274 | S | A | -3.6447 | |
| 275 | E | A | -3.4894 | |
| 276 | V | A | -1.5880 | |
| 277 | E | A | -2.8505 | |
| 278 | E | A | -2.5963 | |
| 279 | A | A | -0.7835 | |
| 280 | A | A | -0.3502 | |
| 281 | A | A | -0.5658 | |
| 282 | I | A | 0.4796 | |
| 283 | I | A | 0.1176 | |
| 284 | A | A | -0.6603 | |
| 285 | Q | A | -1.6508 | |
| 286 | R | A | -2.6074 | |
| 287 | P | A | -2.2662 | |
| 288 | D | A | -3.0020 | |
| 289 | N | A | -2.2702 | |
| 290 | P | A | -1.6243 | |
| 291 | R | A | -2.2381 | |
| 292 | E | A | -2.7358 | |
| 293 | F | A | -0.3049 | |
| 294 | F | A | -0.3560 | |
| 295 | R | A | -2.8121 | |
| 296 | Q | A | -2.6499 | |
| 297 | Q | A | -2.0774 | |
| 298 | E | A | -2.9986 | |
| 299 | R | A | -2.8042 | |
| 300 | V | A | -0.4509 | |
| 301 | A | A | -1.1420 | |
| 302 | S | A | -1.1531 | |
| 303 | A | A | -0.4240 | |
| 304 | S | A | -0.4635 | |
| 305 | G | A | -0.7894 | |
| 306 | G | A | -0.6833 | |
| 307 | S | A | -0.6000 | |
| 308 | C | A | -0.3813 | |
| 309 | D | A | -1.5028 | |
| 310 | A | A | -0.7939 | |
| 311 | P | A | -0.6084 | |
| 312 | A | A | -0.2069 | |
| 313 | P | A | -0.0481 | |
| 314 | A | A | 0.1893 | |
| 315 | P | A | 0.2712 | |
| 316 | F | A | 0.9702 | |
| 317 | N | A | -1.4278 | |
| 318 | H | A | -2.3256 | |
| 319 | R | A | -2.8745 | |
| 320 | P | A | -2.2504 | |
| 321 | G | A | -2.0951 | |
| 322 | R | A | -1.9726 | |
| 323 | P | A | -0.6198 | |
| 324 | Y | A | 1.0947 | |
| 325 | C | A | 1.6131 | |
| 326 | P | A | 1.6670 | |
| 327 | F | A | 2.6490 | |
| 328 | I | A | 2.1402 | |
| 329 | K | A | -0.1499 | |
| 330 | A | A | -0.7094 | |
| 331 | S | A | -1.5591 | |
| 332 | D | A | -2.0868 | |
| 333 | S | A | -1.3830 | |
| 334 | G | A | -1.1292 | |
| 335 | P | A | -0.7197 | |
| 336 | S | A | -0.5924 | |
| 337 | S | A | -0.5197 | |
| 338 | S | A | -0.5124 | |
| 339 | S | A | -0.5150 | |
| 340 | S | A | -0.5132 | |
| 341 | S | A | -0.5092 | |
| 342 | S | A | -0.5051 | |
| 343 | S | A | -0.5168 | |
| 344 | S | A | -0.5512 | |
| 345 | P | A | -0.9348 | |
| 346 | P | A | -1.3693 | |
| 347 | R | A | -2.1094 | |
| 348 | T | A | -0.7614 | |
| 349 | P | A | 0.2715 | |
| 350 | F | A | 2.2129 | |
| 351 | P | A | 1.7013 | |
| 352 | Y | A | 2.5898 | |
| 353 | I | A | 2.8234 | |
| 354 | T | A | 1.1217 | |
| 355 | C | A | 0.2860 | |
| 356 | H | A | -1.3563 | |
| 357 | R | A | -2.2517 | |
| 358 | T | A | -1.5789 | |
| 359 | P | A | -1.0046 | |
| 360 | N | A | -0.6168 | |
| 361 | L | A | 0.6358 | |
| 362 | S | A | 0.0639 | |
| 363 | S | A | 0.0565 | |
| 364 | S | A | 0.3795 | |
| 365 | L | A | 1.4615 | |
| 366 | P | A | 0.7504 | |
| 367 | C | A | 0.6406 | |
| 368 | S | A | -0.2564 | |
| 369 | H | A | -0.5791 | |
| 370 | L | A | -0.0320 | |
| 371 | D | A | -1.4393 | |
| 372 | S | A | -1.5913 | |
| 373 | H | A | -2.7555 | |
| 374 | R | A | -3.1110 | |
| 375 | R | A | -2.4635 | |
| 376 | M | A | -0.2468 | |
| 377 | A | A | 0.1206 | |
| 378 | P | A | -0.0841 | |
| 379 | T | A | 0.1084 | |
| 380 | P | A | 0.5427 | |
| 381 | I | A | 1.7205 | |
| 382 | P | A | 0.4088 | |
| 383 | T | A | -0.7420 | |
| 384 | R | A | -2.0975 | |
| 385 | S | A | -1.3878 | |
| 386 | P | A | -1.2300 | |
| 387 | S | A | -1.4182 | |
| 388 | D | A | -2.1102 | |
| 389 | S | A | -1.2357 | |
| 390 | S | A | -0.7309 | |
| 391 | T | A | -0.2591 | |
| 392 | A | A | -0.1587 | |
| 393 | S | A | -0.2800 | |
| 394 | T | A | 0.1124 | |
| 395 | P | A | 0.4334 | |
| 396 | I | A | 1.1259 | |
| 397 | A | A | 0.1297 | |
| 398 | E | A | -1.8246 | |
| 399 | Q | A | -1.7344 | |
| 400 | I | A | -0.2059 | |
| 401 | E | A | -2.3108 | |
| 402 | R | A | -2.8596 | |
| 403 | A | A | -0.9616 | |
| 404 | L | A | -0.0354 | |
| 405 | D | A | -2.1536 | |
| 406 | E | A | -1.7266 | |
| 407 | V | A | 0.6422 | |
| 408 | T | A | -0.2072 | |
| 409 | S | A | -0.5634 | |
| 410 | S | A | -0.7039 | |
| 411 | Q | A | -1.5912 | |
| 412 | P | A | -1.1218 | |
| 413 | P | A | -0.9207 | |
| 414 | P | A | -0.8176 | |
| 415 | P | A | -0.6821 | |
| 416 | P | A | -0.6876 | |
| 417 | P | A | -0.6845 | |
| 418 | P | A | -0.6783 | |
| 419 | P | A | -0.6616 | |
| 420 | P | A | -0.7293 | |
| 421 | P | A | -0.7725 | |
| 422 | T | A | -1.2373 | |
| 423 | Q | A | -2.3994 | |
| 424 | E | A | -2.7541 | |
| 425 | A | A | -2.0678 | |
| 426 | Q | A | -2.7519 | |
| 427 | E | A | -2.4722 | |
| 428 | T | A | -1.3389 | |
| 429 | T | A | -0.6546 | |
| 430 | P | A | -0.1085 | |
| 431 | S | A | 0.0737 | |
| 432 | L | A | 0.1320 | |
| 433 | D | A | -2.5226 | |
| 434 | E | A | -3.0532 | |
| 435 | E | A | -2.3329 | |
| 436 | L | A | -0.2019 | |
| 437 | S | A | -1.0891 | |
| 438 | K | A | -2.3891 | |
| 439 | E | A | -3.0293 | |
| 440 | A | A | -1.5656 | |
| 441 | K | A | -1.2093 | |
| 442 | V | A | 0.9473 | |
| 443 | T | A | 0.4564 | |
| 444 | A | A | 0.3696 | |
| 445 | A | A | -0.3950 | |
| 446 | P | A | -0.6833 | |
| 447 | E | A | -0.7084 | |
| 448 | V | A | 1.3454 | |
| 449 | W | A | 1.5705 | |
| 450 | A | A | 0.7994 | |
| 451 | G | A | 0.1740 | |
| 452 | C | A | 0.5637 | |
| 453 | A | A | -0.0086 | |
| 454 | A | A | -0.6526 | |
| 455 | E | A | -1.9689 | |
| 456 | P | A | -1.4943 | |
| 457 | P | A | -1.5206 | |
| 458 | Q | A | -1.8532 | |
| 459 | A | A | -1.5930 | |
| 460 | Q | A | -2.4717 | |
| 461 | E | A | -2.7063 | |
| 462 | P | A | -1.2227 | |
| 463 | P | A | 0.0767 | |
| 464 | L | A | 1.9407 | |
| 465 | L | A | 1.7250 | |
| 466 | Q | A | -0.2681 | |
| 467 | S | A | -0.5400 | |
| 468 | S | A | -0.3580 | |
| 469 | P | A | -0.2287 | |
| 470 | L | A | 0.0981 | |
| 471 | E | A | -1.9347 | |
| 472 | D | A | -2.0833 | |
| 473 | S | A | -0.7913 | |
| 474 | M | A | 0.4096 | |
| 475 | C | A | 0.3960 | |
| 476 | T | A | -0.4002 | |
| 477 | E | A | -1.8697 | |
| 478 | S | A | -1.5545 | |
| 479 | P | A | -2.0528 | |
| 480 | E | A | -2.7580 | |
| 481 | Q | A | -1.9297 | |
| 482 | A | A | -0.4749 | |
| 483 | A | A | 0.4657 | |
| 484 | L | A | 1.5118 | |
| 485 | A | A | 0.7862 | |
| 486 | A | A | 0.0830 | |
| 487 | P | A | -0.5583 | |
| 488 | A | A | -1.1067 | |
| 489 | E | A | -1.9595 | |
| 490 | P | A | -1.1735 | |
| 491 | A | A | -0.4323 | |
| 492 | A | A | 0.3133 | |
| 493 | S | A | 0.7748 | |
| 494 | V | A | 1.5866 | |
| 495 | T | A | 0.9946 | |
| 496 | S | A | 1.0147 | |
| 497 | V | A | 1.2759 | |
| 498 | A | A | 0.3255 | |
| 499 | D | A | -0.6984 | |
| 500 | V | A | 0.4232 | |
| 501 | H | A | -0.3770 | |
| 502 | A | A | -0.4303 | |
| 503 | A | A | -1.1500 | |
| 504 | D | A | -1.3793 | |
| 505 | T | A | -0.2847 | |
| 506 | I | A | 0.7381 | |
| 507 | E | A | -0.9195 | |
| 508 | T | A | -0.5747 | |
| 509 | T | A | -0.4995 | |
| 510 | T | A | -0.1052 | |
| 511 | A | A | -0.0433 | |
| 512 | T | A | -0.4608 | |
| 513 | T | A | -1.1131 | |
| 514 | D | A | -1.8919 | |
| 515 | T | A | -0.5634 | |
| 516 | T | A | 0.5254 | |
| 517 | I | A | 1.7222 | |
| 518 | A | A | 0.1646 | |
| 519 | N | A | -1.0868 | |
| 520 | N | A | -0.9888 | |
| 521 | V | A | 0.7891 | |
| 522 | T | A | 0.4110 | |
| 523 | P | A | 0.1635 | |
| 524 | A | A | -0.0400 | |
| 525 | A | A | 0.2335 | |
| 526 | A | A | 0.5042 | |
| 527 | S | A | 0.9363 | |
| 528 | L | A | 2.3702 | |
| 529 | I | A | 2.4494 | |
| 530 | D | A | 0.5039 | |
| 531 | L | A | 1.8770 | |
| 532 | W | A | 1.3405 | |
| 533 | P | A | -0.1307 | |
| 534 | G | A | -1.0301 | |
| 535 | N | A | -2.2453 | |
| 536 | G | A | -2.5432 | |
| 537 | E | A | -3.3883 | |
| 538 | E | A | -3.1124 | |
| 539 | A | A | -1.3293 | |
| 540 | S | A | -0.2800 | |
| 541 | T | A | 0.4224 | |
| 542 | L | A | 0.8971 | |
| 543 | Q | A | -0.8709 | |
| 544 | A | A | -1.2198 | |
| 545 | E | A | -2.6126 | |
| 546 | P | A | -1.9128 | |
| 547 | R | A | -1.4763 | |
| 548 | V | A | 0.5821 | |
| 549 | P | A | 0.2065 | |
| 550 | T | A | -0.0269 | |
| 551 | P | A | -0.5158 | |
| 552 | P | A | -0.5914 | |
| 553 | S | A | -0.5894 | |
| 554 | G | A | -0.9724 | |
| 555 | A | A | -1.0873 | |
| 556 | E | A | -1.9020 | |
| 557 | A | A | -0.7106 | |
| 558 | S | A | 0.3057 | |
| 559 | L | A | 1.0881 | |
| 560 | A | A | 0.1850 | |
| 561 | E | A | -0.5571 | |
| 562 | V | A | 0.9858 | |
| 563 | P | A | 1.2030 | |
| 564 | L | A | 2.2331 | |
| 565 | L | A | 1.0969 | |
| 566 | N | A | -0.9346 | |
| 567 | E | A | -2.0432 | |
| 568 | A | A | -1.4283 | |
| 569 | A | A | -1.2345 | |
| 570 | Q | A | -2.1752 | |
| 571 | E | A | -2.2836 | |
| 572 | P | A | -0.7564 | |
| 573 | L | A | 0.8953 | |
| 574 | P | A | 0.7605 | |
| 575 | P | A | 0.7289 | |
| 576 | V | A | 0.9483 | |
| 577 | G | A | -0.6245 | |
| 578 | E | A | -1.6973 | |
| 579 | G | A | -1.0797 | |
| 580 | C | A | -0.0999 | |
| 581 | A | A | -0.1183 | |
| 582 | N | A | -0.0994 | |
| 583 | L | A | 1.5520 | |
| 584 | L | A | 1.7416 | |
| 585 | N | A | -0.0797 | |
| 586 | F | A | 0.9362 | |
| 587 | D | A | -1.5263 | |
| 588 | E | A | -1.9105 | |
| 589 | L | A | -0.1121 | |
| 590 | P | A | -1.1470 | |
| 591 | E | A | -1.9705 | |
| 592 | P | A | -1.1057 | |
| 593 | P | A | -0.6530 | |
| 594 | A | A | 0.0220 | |
| 595 | T | A | 0.7015 | |
| 596 | F | A | 1.7925 | |
| 597 | C | A | 0.7178 | |
| 598 | D | A | -1.6795 | |
| 599 | P | A | -2.1950 | |
| 600 | E | A | -3.5644 | |
| 601 | E | A | -3.5527 | |
| 602 | E | A | -2.9928 | |
| 603 | V | A | -0.3411 | |
| 604 | G | A | -0.8732 | |
| 605 | E | A | -1.3740 | |
| 606 | T | A | -0.2824 | |
| 607 | L | A | 1.2099 | |
| 608 | A | A | 0.9070 | |
| 609 | A | A | 0.0147 | |
| 610 | S | A | -0.3790 | |
| 611 | Q | A | -0.0626 | |
| 612 | V | A | 1.8594 | |
| 613 | L | A | 2.3356 | |
| 614 | T | A | 1.6297 | |
| 615 | M | A | 1.1833 | |
| 616 | P | A | 0.1431 | |
| 617 | S | A | 0.2592 | |
| 618 | A | A | -0.0125 | |
| 619 | L | A | 0.4876 | |
| 620 | E | A | -1.7812 | |
| 621 | E | A | -2.1087 | |
| 622 | V | A | 0.0052 | |
| 623 | D | A | -1.5655 | |
| 624 | Q | A | -0.9782 | |
| 625 | V | A | 1.1805 | |
| 626 | L | A | 0.5558 | |
| 627 | E | A | -1.6788 | |
| 628 | Q | A | -2.1917 | |
| 629 | E | A | -2.2680 | |
| 630 | L | A | -0.9236 | |
| 631 | E | A | -2.1269 | |
| 632 | P | A | -1.8582 | |
| 633 | E | A | -2.5093 | |
| 634 | P | A | -1.4934 | |
| 635 | H | A | -0.3033 | |
| 636 | L | A | 1.7091 | |
| 637 | L | A | 1.8021 | |
| 638 | T | A | 0.2635 | |
| 639 | N | A | -1.6099 | |
| 640 | G | A | -2.0601 | |
| 641 | E | A | -2.3508 | |
| 642 | T | A | -1.4335 | |
| 643 | T | A | -1.4212 | |
| 644 | Q | A | -2.5746 | |
| 645 | K | A | -3.4113 | |
| 646 | E | A | -3.2969 | |
| 647 | G | A | -2.3751 | |
| 648 | T | A | -1.2741 | |
| 649 | Q | A | -1.3516 | |
| 650 | A | A | -1.0389 | |
| 651 | S | A | -1.4182 | |
| 652 | E | A | -1.8855 | |
| 653 | G | A | -0.5019 | |
| 654 | Y | A | 1.4712 | |
| 655 | F | A | 2.1563 | |
| 656 | S | A | 0.4229 | |
| 657 | Q | A | -1.1915 | |
| 658 | S | A | -1.8965 | |
| 659 | Q | A | -3.0984 | |
| 660 | E | A | -3.7904 | |
| 661 | E | A | -3.6395 | |
| 662 | E | A | -2.4453 | |
| 663 | F | A | 0.4793 | |
| 664 | A | A | 0.1408 | |
| 665 | Q | A | -1.4928 | |
| 666 | S | A | -2.1817 | |
| 667 | E | A | -3.2690 | |
| 668 | E | A | -2.9777 | |
| 669 | P | A | -1.3053 | |
| 670 | C | A | -0.0709 | |
| 671 | A | A | -0.0977 | |
| 672 | K | A | -0.7844 | |
| 673 | V | A | 0.7589 | |
| 674 | P | A | 0.2546 | |
| 675 | P | A | 0.3995 | |
| 676 | P | A | 1.2826 | |
| 677 | V | A | 2.6679 | |
| 678 | F | A | 2.7374 | |
| 679 | Y | A | 1.4289 | |
| 680 | N | A | -0.7400 | |
| 681 | K | A | -2.0786 | |
| 682 | P | A | -1.3654 | |
| 683 | P | A | -1.2925 | |
| 684 | E | A | -1.5312 | |
| 685 | I | A | 0.8010 | |
| 686 | D | A | -0.1328 | |
| 687 | I | A | 1.7189 | |
| 688 | T | A | 0.9065 | |
| 689 | C | A | 1.2721 | |
| 690 | W | A | 0.6446 | |
| 691 | D | A | -1.3378 | |
| 692 | A | A | -0.9697 | |
| 693 | D | A | -1.7993 | |
| 694 | P | A | -0.7609 | |
| 695 | V | A | 0.3721 | |
| 696 | P | A | -1.2351 | |
| 697 | E | A | -3.0818 | |
| 698 | E | A | -4.0073 | |
| 699 | E | A | -3.9572 | |
| 700 | E | A | -3.2653 | |
| 701 | G | A | -1.5807 | |
| 702 | F | A | 0.1094 | |
| 703 | E | A | -1.3061 | |
| 704 | G | A | -1.5869 | |
| 705 | G | A | -1.8992 | |
| 706 | D | A | -2.1171 |
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 | -0.2592 | 6.5758 | View | CSV | PDB |
| 4.5 | -0.4004 | 6.5758 | View | CSV | PDB |
| 5.0 | -0.5953 | 6.5758 | View | CSV | PDB |
| 5.5 | -0.8112 | 6.5758 | View | CSV | PDB |
| 6.0 | -1.0124 | 6.5758 | View | CSV | PDB |
| 6.5 | -1.1696 | 6.5758 | View | CSV | PDB |
| 7.0 | -1.267 | 6.5758 | View | CSV | PDB |
| 7.5 | -1.3127 | 6.5757 | View | CSV | PDB |
| 8.0 | -1.3282 | 6.5756 | View | CSV | PDB |
| 8.5 | -1.3269 | 6.5753 | View | CSV | PDB |
| 9.0 | -1.3124 | 6.6688 | 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