| Chain sequence(s) | MPAGMTKHGSRSTSSLPPEPMEIVRSKACSRRVRLNVGGLAHEVLWRTLDRLPRTRLGKLRDCNTHDSLLQVCDDYSLEDNEYFFDRHPGAFTSILNFYRTGRLHMMEEMCALSFSQELDYWGIDEIYLESCCQARYHQKKEQMNEELKREAETLREREGEEFDNTCCAEKRKKLWDLLEKPNSSVAAKILAIISIMFIVLSTIALSLNTLPELQSLDEFGQSTDNPQLAHVEAVCIAWFTMEYLLRFLSSPKKWKFFKGPLNAIDLLAILPYYVTIFLTESNKSVLQFQNVRRVVQIFRIMRILRILKLARHSTGLQSLGFTLRRSYNELGLLILFLAMGIMIFSSLVFFAEKDEDDTKFKSIPASFWWATITMTTVGYGDIYPKTLLGKIVGGLCCIAGVLVIALPIPIIVNNFSEFYKEQKRQEKAIKRREALERAKRNGSIVSMNMKDAFARSIEMMDIVVEKNGESIAKKDKVQDNHLSPNKWKWTKRALSETSSSKSFETKEQGSPEKARSSSSPQHLNVQQLEDMYSKMAKTQSQPILNTKEMAPQSKPPEELEMSSMPSPVAPLPARTEGVIDMRSMSSIDSFISCATDFPEATRFSHSPLASLSSKAGSSTAPEVGWRGALGASGGRLTETNPIPETSRSGFFVESPRSSMKTNNPLKLRALKVNFVEGDPTPLLPSLGLYHDPLRNRGGAAAAVAGLECASLLDKPVLSPESSIYTTASARTPPRSPEKHTAIAFNFEAGVHHYIDTDTDDEGQLLYSVDSSPPKSLHGSTSPKFSTGARTEKNHFESSPLPTSPKFLRPNCVYSSEGLTGKGPGAQEKCKLENHTPPDVHMLPGGGAHGSTRDQSI 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:43:48)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/bbdaea086907a4/tmp/folded.pdb (00:43:48)
[INFO] Main: Simulation completed successfully. (00:55:50)
|
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 | 0.8725 | |
| 2 | P | A | 0.2666 | |
| 3 | A | A | 0.2253 | |
| 4 | G | A | -0.0731 | |
| 5 | M | A | 0.2682 | |
| 6 | T | A | -0.7787 | |
| 7 | K | A | -2.1384 | |
| 8 | H | A | -2.2056 | |
| 9 | G | A | -1.9874 | |
| 10 | S | A | -1.8419 | |
| 11 | R | A | -2.3335 | |
| 12 | S | A | -1.3459 | |
| 13 | T | A | -0.4636 | |
| 14 | S | A | -0.2733 | |
| 15 | S | A | 0.3137 | |
| 16 | L | A | 0.9969 | |
| 17 | P | A | -0.2446 | |
| 18 | P | A | -1.0393 | |
| 19 | E | A | -2.2109 | |
| 20 | P | A | -1.4219 | |
| 21 | M | A | -0.8438 | |
| 22 | E | A | -2.4316 | |
| 23 | I | A | 0.0000 | |
| 24 | V | A | -1.0152 | |
| 25 | R | A | -1.9259 | |
| 26 | S | A | -1.2499 | |
| 27 | K | A | -1.4215 | |
| 28 | A | A | -0.9087 | |
| 29 | C | A | -0.3792 | |
| 30 | S | A | -1.4301 | |
| 31 | R | A | -2.7113 | |
| 32 | R | A | -3.2741 | |
| 33 | V | A | 0.0000 | |
| 34 | R | A | -1.9879 | |
| 35 | L | A | 0.0000 | |
| 36 | N | A | -0.8161 | |
| 37 | V | A | 0.0000 | |
| 38 | G | A | -1.0266 | |
| 39 | G | A | -0.4296 | |
| 40 | L | A | 0.4416 | |
| 41 | A | A | -0.3002 | |
| 42 | H | A | -1.0312 | |
| 43 | E | A | -2.3957 | |
| 44 | V | A | 0.0000 | |
| 45 | L | A | -1.9665 | |
| 46 | W | A | 0.0000 | |
| 47 | R | A | -3.2501 | |
| 48 | T | A | -2.3445 | |
| 49 | L | A | 0.0000 | |
| 50 | D | A | -3.8916 | |
| 51 | R | A | -3.5293 | |
| 52 | L | A | -2.1363 | |
| 53 | P | A | -2.8167 | |
| 54 | R | A | -2.7481 | |
| 55 | T | A | 0.0000 | |
| 56 | R | A | -1.6718 | |
| 57 | L | A | 0.0000 | |
| 58 | G | A | 0.0000 | |
| 59 | K | A | -3.1694 | |
| 60 | L | A | 0.0000 | |
| 61 | R | A | -2.7603 | |
| 62 | D | A | -2.9635 | |
| 63 | C | A | 0.0000 | |
| 64 | N | A | -2.0994 | |
| 65 | T | A | -1.3438 | |
| 66 | H | A | -1.2916 | |
| 67 | D | A | -1.0103 | |
| 68 | S | A | -1.3657 | |
| 69 | L | A | 0.0000 | |
| 70 | L | A | -1.1055 | |
| 71 | Q | A | -1.5990 | |
| 72 | V | A | 0.0000 | |
| 73 | C | A | 0.0000 | |
| 74 | D | A | -2.9037 | |
| 75 | D | A | -2.6410 | |
| 76 | Y | A | -1.3742 | |
| 77 | S | A | -1.3170 | |
| 78 | L | A | -1.6193 | |
| 79 | E | A | -2.3497 | |
| 80 | D | A | -2.2310 | |
| 81 | N | A | -1.7222 | |
| 82 | E | A | -1.8886 | |
| 83 | Y | A | 0.0000 | |
| 84 | F | A | -1.2171 | |
| 85 | F | A | 0.0000 | |
| 86 | D | A | -2.7681 | |
| 87 | R | A | -1.6003 | |
| 88 | H | A | -1.1661 | |
| 89 | P | A | -0.5996 | |
| 90 | G | A | -0.3993 | |
| 91 | A | A | 0.0000 | |
| 92 | F | A | 0.0000 | |
| 93 | T | A | -0.1111 | |
| 94 | S | A | -0.6801 | |
| 95 | I | A | 0.0000 | |
| 96 | L | A | -0.6232 | |
| 97 | N | A | -1.7431 | |
| 98 | F | A | 0.0000 | |
| 99 | Y | A | 0.0000 | |
| 100 | R | A | -2.7083 | |
| 101 | T | A | -1.8988 | |
| 102 | G | A | -2.1659 | |
| 103 | R | A | -2.7156 | |
| 104 | L | A | 0.0000 | |
| 105 | H | A | -1.3076 | |
| 106 | M | A | -1.0282 | |
| 107 | M | A | -1.1344 | |
| 108 | E | A | -2.7501 | |
| 109 | E | A | -2.3276 | |
| 110 | M | A | 0.0000 | |
| 111 | C | A | 0.1057 | |
| 112 | A | A | 0.0000 | |
| 113 | L | A | -0.3708 | |
| 114 | S | A | -0.2132 | |
| 115 | F | A | 0.0000 | |
| 116 | S | A | -0.9618 | |
| 117 | Q | A | -1.2164 | |
| 118 | E | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | D | A | -2.3858 | |
| 121 | Y | A | -1.0434 | |
| 122 | W | A | 0.0000 | |
| 123 | G | A | -1.6101 | |
| 124 | I | A | 0.0000 | |
| 125 | D | A | -1.0754 | |
| 126 | E | A | -0.3376 | |
| 127 | I | A | 1.4814 | |
| 128 | Y | A | 0.2855 | |
| 129 | L | A | 0.0000 | |
| 130 | E | A | -1.0362 | |
| 131 | S | A | -0.6226 | |
| 132 | C | A | -0.1653 | |
| 133 | C | A | 0.0000 | |
| 134 | Q | A | -1.2841 | |
| 135 | A | A | -1.6631 | |
| 136 | R | A | -3.0359 | |
| 137 | Y | A | 0.0000 | |
| 138 | H | A | -2.6816 | |
| 139 | Q | A | -3.4598 | |
| 140 | K | A | -3.1640 | |
| 141 | K | A | -3.0475 | |
| 142 | E | A | -4.0419 | |
| 143 | Q | A | -3.6918 | |
| 144 | M | A | -2.5011 | |
| 145 | N | A | -2.9326 | |
| 146 | E | A | -4.0486 | |
| 147 | E | A | -3.3583 | |
| 148 | L | A | -1.7332 | |
| 149 | K | A | -2.9543 | |
| 150 | R | A | -3.2725 | |
| 151 | E | A | -2.9256 | |
| 152 | A | A | -2.8866 | |
| 153 | E | A | -3.7105 | |
| 154 | T | A | -3.1454 | |
| 155 | L | A | -3.5163 | |
| 156 | R | A | -4.7566 | |
| 157 | E | A | -4.6678 | |
| 158 | R | A | -4.7081 | |
| 159 | E | A | -4.6810 | |
| 160 | G | A | -3.8075 | |
| 161 | E | A | -3.5649 | |
| 162 | E | A | -3.4820 | |
| 163 | F | A | -2.6342 | |
| 164 | D | A | -2.7662 | |
| 165 | N | A | -2.2227 | |
| 166 | T | A | -0.8596 | |
| 167 | C | A | 0.0348 | |
| 168 | C | A | -0.7022 | |
| 169 | A | A | -2.3535 | |
| 170 | E | A | -3.4350 | |
| 171 | K | A | -3.4107 | |
| 172 | R | A | -2.1997 | |
| 173 | K | A | -3.6524 | |
| 174 | K | A | -3.4247 | |
| 175 | L | A | -1.6488 | |
| 176 | W | A | -1.2816 | |
| 177 | D | A | -1.7550 | |
| 178 | L | A | -0.7392 | |
| 179 | L | A | -0.4905 | |
| 180 | E | A | -0.7794 | |
| 181 | K | A | -1.4963 | |
| 182 | P | A | -0.8855 | |
| 183 | N | A | -1.8700 | |
| 184 | S | A | -1.2967 | |
| 185 | S | A | -0.0756 | |
| 186 | V | A | 1.4144 | |
| 187 | A | A | 1.0472 | |
| 188 | A | A | 0.0000 | |
| 189 | K | A | 0.0305 | |
| 190 | I | A | 2.1157 | |
| 191 | L | A | 1.7669 | |
| 192 | A | A | 0.0000 | |
| 193 | I | A | 2.3370 | |
| 194 | I | A | 2.1297 | |
| 195 | S | A | 0.0000 | |
| 196 | I | A | 2.3981 | |
| 197 | M | A | 2.2158 | |
| 198 | F | A | 2.0959 | |
| 199 | I | A | 0.0000 | |
| 200 | V | A | 2.6313 | |
| 201 | L | A | 2.0680 | |
| 202 | S | A | 0.0000 | |
| 203 | T | A | 1.9311 | |
| 204 | I | A | 2.1831 | |
| 205 | A | A | 0.0000 | |
| 206 | L | A | 1.4082 | |
| 207 | S | A | 1.0284 | |
| 208 | L | A | 0.9730 | |
| 209 | N | A | 0.0000 | |
| 210 | T | A | 0.1848 | |
| 211 | L | A | 0.3972 | |
| 212 | P | A | -0.5122 | |
| 213 | E | A | -1.4884 | |
| 214 | L | A | -0.3971 | |
| 215 | Q | A | -0.4625 | |
| 216 | S | A | -0.3972 | |
| 217 | L | A | 0.6859 | |
| 218 | D | A | -0.4810 | |
| 219 | E | A | -1.0641 | |
| 220 | F | A | 0.7852 | |
| 221 | G | A | -0.0245 | |
| 222 | Q | A | -0.1612 | |
| 223 | S | A | -0.1891 | |
| 224 | T | A | -0.3157 | |
| 225 | D | A | -0.6226 | |
| 226 | N | A | -0.7000 | |
| 227 | P | A | -1.1758 | |
| 228 | Q | A | -1.5523 | |
| 229 | L | A | -0.3374 | |
| 230 | A | A | -0.6108 | |
| 231 | H | A | -0.8106 | |
| 232 | V | A | 0.3614 | |
| 233 | E | A | 0.0000 | |
| 234 | A | A | 0.6348 | |
| 235 | V | A | 1.7775 | |
| 236 | C | A | 0.0000 | |
| 237 | I | A | 0.0000 | |
| 238 | A | A | 0.9639 | |
| 239 | W | A | 1.0344 | |
| 240 | F | A | 0.0000 | |
| 241 | T | A | 0.8939 | |
| 242 | M | A | 1.0120 | |
| 243 | E | A | 0.0000 | |
| 244 | Y | A | 0.0000 | |
| 245 | L | A | 1.8486 | |
| 246 | L | A | 1.7152 | |
| 247 | R | A | 0.0000 | |
| 248 | F | A | 1.8541 | |
| 249 | L | A | 1.9823 | |
| 250 | S | A | 0.0000 | |
| 251 | S | A | 0.0000 | |
| 252 | P | A | -1.0666 | |
| 253 | K | A | -0.7093 | |
| 254 | K | A | 0.0307 | |
| 255 | W | A | 0.6322 | |
| 256 | K | A | -0.5284 | |
| 257 | F | A | 0.0000 | |
| 258 | F | A | 1.1609 | |
| 259 | K | A | -0.8709 | |
| 260 | G | A | -0.3084 | |
| 261 | P | A | -0.1796 | |
| 262 | L | A | 0.4764 | |
| 263 | N | A | 0.4494 | |
| 264 | A | A | 0.6015 | |
| 265 | I | A | 1.1739 | |
| 266 | D | A | 0.0000 | |
| 267 | L | A | 1.3390 | |
| 268 | L | A | 1.4308 | |
| 269 | A | A | 0.0000 | |
| 270 | I | A | 0.0000 | |
| 271 | L | A | 1.1840 | |
| 272 | P | A | 0.0000 | |
| 273 | Y | A | 1.2908 | |
| 274 | Y | A | 1.6937 | |
| 275 | V | A | 1.7297 | |
| 276 | T | A | 1.3828 | |
| 277 | I | A | 1.5884 | |
| 278 | F | A | 2.0274 | |
| 279 | L | A | 0.9122 | |
| 280 | T | A | -0.2274 | |
| 281 | E | A | -1.4500 | |
| 282 | S | A | -0.9112 | |
| 283 | N | A | -0.9063 | |
| 284 | K | A | -1.6476 | |
| 285 | S | A | 0.2748 | |
| 286 | V | A | 1.9389 | |
| 287 | L | A | 1.5890 | |
| 288 | Q | A | -0.3938 | |
| 289 | F | A | 0.1196 | |
| 290 | Q | A | -1.5681 | |
| 291 | N | A | -2.2610 | |
| 292 | V | A | -1.2734 | |
| 293 | R | A | -2.3492 | |
| 294 | R | A | -2.3768 | |
| 295 | V | A | -0.2080 | |
| 296 | V | A | 0.1220 | |
| 297 | Q | A | -0.2607 | |
| 298 | I | A | 1.9537 | |
| 299 | F | A | 1.6575 | |
| 300 | R | A | 1.1473 | |
| 301 | I | A | 2.7160 | |
| 302 | M | A | 2.1078 | |
| 303 | R | A | 0.0000 | |
| 304 | I | A | 2.0231 | |
| 305 | L | A | 1.9184 | |
| 306 | R | A | 0.0000 | |
| 307 | I | A | 2.0143 | |
| 308 | L | A | 1.7359 | |
| 309 | K | A | 0.0000 | |
| 310 | L | A | 1.1889 | |
| 311 | A | A | 0.0000 | |
| 312 | R | A | 0.0000 | |
| 313 | H | A | 0.1279 | |
| 314 | S | A | 0.0066 | |
| 315 | T | A | -0.2530 | |
| 316 | G | A | 0.2627 | |
| 317 | L | A | 0.8466 | |
| 318 | Q | A | 0.4905 | |
| 319 | S | A | 0.0000 | |
| 320 | L | A | 1.4241 | |
| 321 | G | A | 0.7625 | |
| 322 | F | A | 1.5053 | |
| 323 | T | A | 0.0000 | |
| 324 | L | A | 0.4844 | |
| 325 | R | A | -1.1173 | |
| 326 | R | A | -1.3148 | |
| 327 | S | A | 0.0000 | |
| 328 | Y | A | 0.1212 | |
| 329 | N | A | -0.8502 | |
| 330 | E | A | 0.5539 | |
| 331 | L | A | 1.0663 | |
| 332 | G | A | 1.0162 | |
| 333 | L | A | 1.6136 | |
| 334 | L | A | 0.0000 | |
| 335 | I | A | 2.9484 | |
| 336 | L | A | 2.7515 | |
| 337 | F | A | 2.3733 | |
| 338 | L | A | 2.2971 | |
| 339 | A | A | 2.2620 | |
| 340 | M | A | 2.3240 | |
| 341 | G | A | 1.9643 | |
| 342 | I | A | 2.0328 | |
| 343 | M | A | 2.2224 | |
| 344 | I | A | 2.7098 | |
| 345 | F | A | 0.0000 | |
| 346 | S | A | 0.0000 | |
| 347 | S | A | 1.9420 | |
| 348 | L | A | 2.3392 | |
| 349 | V | A | 0.0000 | |
| 350 | F | A | 0.5427 | |
| 351 | F | A | 1.9172 | |
| 352 | A | A | 1.0194 | |
| 353 | E | A | 0.0000 | |
| 354 | K | A | -2.5990 | |
| 355 | D | A | -2.9992 | |
| 356 | E | A | -3.7909 | |
| 357 | D | A | -4.0393 | |
| 358 | D | A | -3.9759 | |
| 359 | T | A | -3.4569 | |
| 360 | K | A | -3.1385 | |
| 361 | F | A | 0.0000 | |
| 362 | K | A | -2.6078 | |
| 363 | S | A | -0.8439 | |
| 364 | I | A | 0.9111 | |
| 365 | P | A | 0.2229 | |
| 366 | A | A | -0.1807 | |
| 367 | S | A | 0.0000 | |
| 368 | F | A | 1.5909 | |
| 369 | W | A | 1.1101 | |
| 370 | W | A | 0.0000 | |
| 371 | A | A | 0.0000 | |
| 372 | T | A | 0.7759 | |
| 373 | I | A | 0.0000 | |
| 374 | T | A | 1.2900 | |
| 375 | M | A | 0.0000 | |
| 376 | T | A | 0.7623 | |
| 377 | T | A | 1.1347 | |
| 378 | V | A | 1.3133 | |
| 379 | G | A | 0.6828 | |
| 380 | Y | A | 1.0939 | |
| 381 | G | A | 0.1079 | |
| 382 | D | A | -0.6722 | |
| 383 | I | A | -0.1308 | |
| 384 | Y | A | 0.2348 | |
| 385 | P | A | 0.0000 | |
| 386 | K | A | -1.7304 | |
| 387 | T | A | 0.0449 | |
| 388 | L | A | 1.9419 | |
| 389 | L | A | 2.5973 | |
| 390 | G | A | 0.0000 | |
| 391 | K | A | 0.5744 | |
| 392 | I | A | 2.5545 | |
| 393 | V | A | 0.0000 | |
| 394 | G | A | 1.4954 | |
| 395 | G | A | 1.5743 | |
| 396 | L | A | 2.5122 | |
| 397 | C | A | 0.0000 | |
| 398 | C | A | 2.2186 | |
| 399 | I | A | 3.5320 | |
| 400 | A | A | 2.6955 | |
| 401 | G | A | 0.0000 | |
| 402 | V | A | 3.4195 | |
| 403 | L | A | 3.4531 | |
| 404 | V | A | 3.0670 | |
| 405 | I | A | 2.6260 | |
| 406 | A | A | 2.3281 | |
| 407 | L | A | 2.6225 | |
| 408 | P | A | 0.0000 | |
| 409 | I | A | 2.0196 | |
| 410 | P | A | 1.4571 | |
| 411 | I | A | 1.6415 | |
| 412 | I | A | 1.6094 | |
| 413 | V | A | 1.6954 | |
| 414 | N | A | -0.3168 | |
| 415 | N | A | -0.0271 | |
| 416 | F | A | 0.5553 | |
| 417 | S | A | -0.7961 | |
| 418 | E | A | -2.3213 | |
| 419 | F | A | 0.0000 | |
| 420 | Y | A | -1.4235 | |
| 421 | K | A | -2.8465 | |
| 422 | E | A | -3.1568 | |
| 423 | Q | A | -2.7844 | |
| 424 | K | A | -3.0732 | |
| 425 | R | A | -3.8157 | |
| 426 | Q | A | -3.1501 | |
| 427 | E | A | -3.1153 | |
| 428 | K | A | -3.4243 | |
| 429 | A | A | -2.8825 | |
| 430 | I | A | -2.2639 | |
| 431 | K | A | -3.4586 | |
| 432 | R | A | -3.3064 | |
| 433 | R | A | -2.4262 | |
| 434 | E | A | -2.6439 | |
| 435 | A | A | -2.2258 | |
| 436 | L | A | -1.3524 | |
| 437 | E | A | -3.1162 | |
| 438 | R | A | -3.7140 | |
| 439 | A | A | -2.1807 | |
| 440 | K | A | -2.6420 | |
| 441 | R | A | -3.6327 | |
| 442 | N | A | -2.9768 | |
| 443 | G | A | -1.7373 | |
| 444 | S | A | -0.6803 | |
| 445 | I | A | 0.7526 | |
| 446 | V | A | 1.5890 | |
| 447 | S | A | 0.5526 | |
| 448 | M | A | 0.9752 | |
| 449 | N | A | -0.2472 | |
| 450 | M | A | -0.3456 | |
| 451 | K | A | -1.5872 | |
| 452 | D | A | -1.3057 | |
| 453 | A | A | -0.3128 | |
| 454 | F | A | 0.4700 | |
| 455 | A | A | -0.4769 | |
| 456 | R | A | -1.6957 | |
| 457 | S | A | -0.1616 | |
| 458 | I | A | 0.8249 | |
| 459 | E | A | -0.7674 | |
| 460 | M | A | 0.6178 | |
| 461 | M | A | 0.2207 | |
| 462 | D | A | -0.9483 | |
| 463 | I | A | 0.4520 | |
| 464 | V | A | 0.3161 | |
| 465 | V | A | -0.1855 | |
| 466 | E | A | -2.2024 | |
| 467 | K | A | -2.4574 | |
| 468 | N | A | -1.8060 | |
| 469 | G | A | -1.6440 | |
| 470 | E | A | -3.0719 | |
| 471 | S | A | -2.1459 | |
| 472 | I | A | -1.1088 | |
| 473 | A | A | -2.2796 | |
| 474 | K | A | -3.2335 | |
| 475 | K | A | -3.1968 | |
| 476 | D | A | -3.1439 | |
| 477 | K | A | -3.2055 | |
| 478 | V | A | -1.2824 | |
| 479 | Q | A | -2.4456 | |
| 480 | D | A | -3.1105 | |
| 481 | N | A | -2.5881 | |
| 482 | H | A | -1.3619 | |
| 483 | L | A | 0.6489 | |
| 484 | S | A | -0.1604 | |
| 485 | P | A | -1.0207 | |
| 486 | N | A | -2.0092 | |
| 487 | K | A | -2.1904 | |
| 488 | W | A | -0.5380 | |
| 489 | K | A | -0.9229 | |
| 490 | W | A | 0.2266 | |
| 491 | T | A | -0.8407 | |
| 492 | K | A | -2.3728 | |
| 493 | R | A | -2.3609 | |
| 494 | A | A | -0.7172 | |
| 495 | L | A | 0.6358 | |
| 496 | S | A | -0.3560 | |
| 497 | E | A | -1.6327 | |
| 498 | T | A | -0.9884 | |
| 499 | S | A | -0.7623 | |
| 500 | S | A | -0.8222 | |
| 501 | S | A | -1.2398 | |
| 502 | K | A | -1.5056 | |
| 503 | S | A | -0.4686 | |
| 504 | F | A | 0.5570 | |
| 505 | E | A | -1.4160 | |
| 506 | T | A | -1.9246 | |
| 507 | K | A | -3.3611 | |
| 508 | E | A | -3.3999 | |
| 509 | Q | A | -2.8376 | |
| 510 | G | A | -1.6101 | |
| 511 | S | A | -1.4628 | |
| 512 | P | A | -1.6923 | |
| 513 | E | A | -3.0273 | |
| 514 | K | A | -3.2128 | |
| 515 | A | A | -2.1971 | |
| 516 | R | A | -2.7234 | |
| 517 | S | A | -1.4732 | |
| 518 | S | A | -0.9973 | |
| 519 | S | A | -0.9360 | |
| 520 | S | A | -0.9728 | |
| 521 | P | A | -0.9868 | |
| 522 | Q | A | -1.6543 | |
| 523 | H | A | -1.0022 | |
| 524 | L | A | 0.2670 | |
| 525 | N | A | -0.9323 | |
| 526 | V | A | -0.0052 | |
| 527 | Q | A | -1.7914 | |
| 528 | Q | A | -1.8384 | |
| 529 | L | A | -0.8674 | |
| 530 | E | A | -2.4808 | |
| 531 | D | A | -2.7159 | |
| 532 | M | A | -1.0778 | |
| 533 | Y | A | -0.4180 | |
| 534 | S | A | -1.5791 | |
| 535 | K | A | -2.3124 | |
| 536 | M | A | -0.9999 | |
| 537 | A | A | -1.4324 | |
| 538 | K | A | -2.6051 | |
| 539 | T | A | -1.9466 | |
| 540 | Q | A | -2.2988 | |
| 541 | S | A | -1.7065 | |
| 542 | Q | A | -1.3191 | |
| 543 | P | A | 0.1944 | |
| 544 | I | A | 1.9523 | |
| 545 | L | A | 1.6594 | |
| 546 | N | A | -0.4474 | |
| 547 | T | A | -1.3727 | |
| 548 | K | A | -2.6551 | |
| 549 | E | A | -2.1243 | |
| 550 | M | A | -0.2240 | |
| 551 | A | A | -0.2078 | |
| 552 | P | A | -0.6396 | |
| 553 | Q | A | -1.7682 | |
| 554 | S | A | -1.7763 | |
| 555 | K | A | -2.2197 | |
| 556 | P | A | -1.6493 | |
| 557 | P | A | -2.0461 | |
| 558 | E | A | -2.5620 | |
| 559 | E | A | -2.3773 | |
| 560 | L | A | -0.3529 | |
| 561 | E | A | -0.9876 | |
| 562 | M | A | 0.3282 | |
| 563 | S | A | 0.0079 | |
| 564 | S | A | 0.3589 | |
| 565 | M | A | 0.7432 | |
| 566 | P | A | 0.0414 | |
| 567 | S | A | 0.0715 | |
| 568 | P | A | 0.4223 | |
| 569 | V | A | 1.5867 | |
| 570 | A | A | 1.0608 | |
| 571 | P | A | 0.7931 | |
| 572 | L | A | 1.3257 | |
| 573 | P | A | 0.0030 | |
| 574 | A | A | -0.9825 | |
| 575 | R | A | -2.3647 | |
| 576 | T | A | -1.7732 | |
| 577 | E | A | -1.9001 | |
| 578 | G | A | -0.3635 | |
| 579 | V | A | 1.8044 | |
| 580 | I | A | 1.7321 | |
| 581 | D | A | -0.4340 | |
| 582 | M | A | 0.1267 | |
| 583 | R | A | -1.4653 | |
| 584 | S | A | -0.5911 | |
| 585 | M | A | 0.8624 | |
| 586 | S | A | 0.4036 | |
| 587 | S | A | 0.4539 | |
| 588 | I | A | 1.5771 | |
| 589 | D | A | -0.0283 | |
| 590 | S | A | 0.8206 | |
| 591 | F | A | 2.6638 | |
| 592 | I | A | 2.6132 | |
| 593 | S | A | 1.3939 | |
| 594 | C | A | 1.1201 | |
| 595 | A | A | 0.2983 | |
| 596 | T | A | -0.2861 | |
| 597 | D | A | -1.0873 | |
| 598 | F | A | 0.5405 | |
| 599 | P | A | -0.6570 | |
| 600 | E | A | -1.9737 | |
| 601 | A | A | -0.8421 | |
| 602 | T | A | -1.0704 | |
| 603 | R | A | -1.1309 | |
| 604 | F | A | 0.6431 | |
| 605 | S | A | -0.2639 | |
| 606 | H | A | -0.8454 | |
| 607 | S | A | -0.5674 | |
| 608 | P | A | 0.1898 | |
| 609 | L | A | 1.3704 | |
| 610 | A | A | 1.1175 | |
| 611 | S | A | 0.9022 | |
| 612 | L | A | 1.3031 | |
| 613 | S | A | 0.0515 | |
| 614 | S | A | -0.8290 | |
| 615 | K | A | -1.9083 | |
| 616 | A | A | -1.2027 | |
| 617 | G | A | -0.9604 | |
| 618 | S | A | -0.5924 | |
| 619 | S | A | -0.4715 | |
| 620 | T | A | -0.2390 | |
| 621 | A | A | -0.4914 | |
| 622 | P | A | -0.7205 | |
| 623 | E | A | -1.0565 | |
| 624 | V | A | 0.7455 | |
| 625 | G | A | 0.1841 | |
| 626 | W | A | 0.2246 | |
| 627 | R | A | -1.5537 | |
| 628 | G | A | -0.7559 | |
| 629 | A | A | 0.0180 | |
| 630 | L | A | 1.2356 | |
| 631 | G | A | 0.4010 | |
| 632 | A | A | -0.0201 | |
| 633 | S | A | -0.6496 | |
| 634 | G | A | -1.1659 | |
| 635 | G | A | -1.3119 | |
| 636 | R | A | -1.4308 | |
| 637 | L | A | 0.0977 | |
| 638 | T | A | -0.7003 | |
| 639 | E | A | -1.7636 | |
| 640 | T | A | -1.6231 | |
| 641 | N | A | -1.3628 | |
| 642 | P | A | -0.0501 | |
| 643 | I | A | 1.1258 | |
| 644 | P | A | -0.2397 | |
| 645 | E | A | -1.6092 | |
| 646 | T | A | -1.4694 | |
| 647 | S | A | -1.5312 | |
| 648 | R | A | -2.1849 | |
| 649 | S | A | -1.1203 | |
| 650 | G | A | 0.3017 | |
| 651 | F | A | 3.1468 | |
| 652 | F | A | 3.3748 | |
| 653 | V | A | 2.1881 | |
| 654 | E | A | -0.6982 | |
| 655 | S | A | -1.2898 | |
| 656 | P | A | -1.7237 | |
| 657 | R | A | -2.1651 | |
| 658 | S | A | -1.0651 | |
| 659 | S | A | -0.6227 | |
| 660 | M | A | -0.0729 | |
| 661 | K | A | -1.5558 | |
| 662 | T | A | -1.5422 | |
| 663 | N | A | -2.0851 | |
| 664 | N | A | -1.8818 | |
| 665 | P | A | -0.5229 | |
| 666 | L | A | 0.2641 | |
| 667 | K | A | -1.0227 | |
| 668 | L | A | 0.4223 | |
| 669 | R | A | -1.2389 | |
| 670 | A | A | -0.1602 | |
| 671 | L | A | 0.6186 | |
| 672 | K | A | -0.7543 | |
| 673 | V | A | 0.8998 | |
| 674 | N | A | 0.2486 | |
| 675 | F | A | 1.7631 | |
| 676 | V | A | 1.3080 | |
| 677 | E | A | -1.2910 | |
| 678 | G | A | -1.5888 | |
| 679 | D | A | -2.3896 | |
| 680 | P | A | -1.5142 | |
| 681 | T | A | -0.3899 | |
| 682 | P | A | 0.7303 | |
| 683 | L | A | 2.0955 | |
| 684 | L | A | 2.0479 | |
| 685 | P | A | 1.1551 | |
| 686 | S | A | 0.7365 | |
| 687 | L | A | 1.4831 | |
| 688 | G | A | 1.4057 | |
| 689 | L | A | 2.0534 | |
| 690 | Y | A | 1.0994 | |
| 691 | H | A | -1.1404 | |
| 692 | D | A | -1.8910 | |
| 693 | P | A | -0.9374 | |
| 694 | L | A | -0.0646 | |
| 695 | R | A | -2.1250 | |
| 696 | N | A | -2.9054 | |
| 697 | R | A | -3.1755 | |
| 698 | G | A | -1.8784 | |
| 699 | G | A | -1.0138 | |
| 700 | A | A | -0.2243 | |
| 701 | A | A | 0.1670 | |
| 702 | A | A | 0.5201 | |
| 703 | A | A | 1.0314 | |
| 704 | V | A | 1.9215 | |
| 705 | A | A | 0.8740 | |
| 706 | G | A | 0.4603 | |
| 707 | L | A | 0.7740 | |
| 708 | E | A | -0.8043 | |
| 709 | C | A | 0.1251 | |
| 710 | A | A | 0.2686 | |
| 711 | S | A | 0.8676 | |
| 712 | L | A | 1.9285 | |
| 713 | L | A | 1.1863 | |
| 714 | D | A | -1.6139 | |
| 715 | K | A | -2.0068 | |
| 716 | P | A | -0.2853 | |
| 717 | V | A | 1.9817 | |
| 718 | L | A | 2.1819 | |
| 719 | S | A | 0.3436 | |
| 720 | P | A | -0.9400 | |
| 721 | E | A | -2.1644 | |
| 722 | S | A | -1.0513 | |
| 723 | S | A | 0.4249 | |
| 724 | I | A | 2.5645 | |
| 725 | Y | A | 2.3177 | |
| 726 | T | A | 1.1393 | |
| 727 | T | A | 0.3613 | |
| 728 | A | A | -0.0799 | |
| 729 | S | A | -0.5555 | |
| 730 | A | A | -0.9416 | |
| 731 | R | A | -1.9527 | |
| 732 | T | A | -1.1372 | |
| 733 | P | A | -1.1861 | |
| 734 | P | A | -1.3095 | |
| 735 | R | A | -2.1917 | |
| 736 | S | A | -1.8343 | |
| 737 | P | A | -2.1202 | |
| 738 | E | A | -3.0228 | |
| 739 | K | A | -3.1267 | |
| 740 | H | A | -2.0025 | |
| 741 | T | A | -0.4224 | |
| 742 | A | A | 0.8267 | |
| 743 | I | A | 2.2702 | |
| 744 | A | A | 1.8595 | |
| 745 | F | A | 2.2404 | |
| 746 | N | A | 0.2895 | |
| 747 | F | A | 1.1837 | |
| 748 | E | A | -1.0217 | |
| 749 | A | A | -0.4249 | |
| 750 | G | A | -0.1163 | |
| 751 | V | A | 1.0134 | |
| 752 | H | A | -0.7812 | |
| 753 | H | A | -0.9412 | |
| 754 | Y | A | 0.6782 | |
| 755 | I | A | 0.0979 | |
| 756 | D | A | -2.0637 | |
| 757 | T | A | -1.8405 | |
| 758 | D | A | -2.9434 | |
| 759 | T | A | -2.9976 | |
| 760 | D | A | -4.1173 | |
| 761 | D | A | -4.0255 | |
| 762 | E | A | -3.6181 | |
| 763 | G | A | -2.2408 | |
| 764 | Q | A | -1.0031 | |
| 765 | L | A | 1.3934 | |
| 766 | L | A | 2.4878 | |
| 767 | Y | A | 2.5118 | |
| 768 | S | A | 1.3749 | |
| 769 | V | A | 1.0521 | |
| 770 | D | A | -1.1347 | |
| 771 | S | A | -0.9172 | |
| 772 | S | A | -0.8770 | |
| 773 | P | A | -0.8984 | |
| 774 | P | A | -1.2766 | |
| 775 | K | A | -1.6638 | |
| 776 | S | A | -0.5246 | |
| 777 | L | A | 0.5181 | |
| 778 | H | A | -0.5689 | |
| 779 | G | A | -0.7507 | |
| 780 | S | A | -0.7370 | |
| 781 | T | A | -0.4242 | |
| 782 | S | A | -0.7475 | |
| 783 | P | A | -0.8048 | |
| 784 | K | A | -0.9719 | |
| 785 | F | A | 0.9449 | |
| 786 | S | A | 0.2681 | |
| 787 | T | A | 0.0334 | |
| 788 | G | A | -0.9075 | |
| 789 | A | A | -1.0900 | |
| 790 | R | A | -2.3467 | |
| 791 | T | A | -2.2968 | |
| 792 | E | A | -3.3261 | |
| 793 | K | A | -3.4764 | |
| 794 | N | A | -2.6647 | |
| 795 | H | A | -1.3208 | |
| 796 | F | A | 0.1002 | |
| 797 | E | A | -1.1072 | |
| 798 | S | A | -0.8262 | |
| 799 | S | A | -0.4875 | |
| 800 | P | A | 0.2546 | |
| 801 | L | A | 1.2291 | |
| 802 | P | A | 0.4469 | |
| 803 | T | A | 0.0093 | |
| 804 | S | A | -0.8265 | |
| 805 | P | A | -0.8440 | |
| 806 | K | A | -0.6081 | |
| 807 | F | A | 1.4013 | |
| 808 | L | A | 1.0616 | |
| 809 | R | A | -1.0741 | |
| 810 | P | A | -1.0843 | |
| 811 | N | A | -0.7197 | |
| 812 | C | A | 1.2006 | |
| 813 | V | A | 2.3655 | |
| 814 | Y | A | 2.0659 | |
| 815 | S | A | 0.3666 | |
| 816 | S | A | -1.0052 | |
| 817 | E | A | -1.8844 | |
| 818 | G | A | -0.6682 | |
| 819 | L | A | 0.8164 | |
| 820 | T | A | -0.0069 | |
| 821 | G | A | -1.1058 | |
| 822 | K | A | -2.2167 | |
| 823 | G | A | -1.6070 | |
| 824 | P | A | -1.0501 | |
| 825 | G | A | -0.9080 | |
| 826 | A | A | -1.2888 | |
| 827 | Q | A | -2.6416 | |
| 828 | E | A | -3.1336 | |
| 829 | K | A | -2.8111 | |
| 830 | C | A | -1.3261 | |
| 831 | K | A | -1.5555 | |
| 832 | L | A | -0.3803 | |
| 833 | E | A | -2.2304 | |
| 834 | N | A | -2.5161 | |
| 835 | H | A | -2.1077 | |
| 836 | T | A | -1.2651 | |
| 837 | P | A | -1.0063 | |
| 838 | P | A | -0.9399 | |
| 839 | D | A | -1.2278 | |
| 840 | V | A | 0.4942 | |
| 841 | H | A | 0.3774 | |
| 842 | M | A | 1.6644 | |
| 843 | L | A | 1.6934 | |
| 844 | P | A | 0.3633 | |
| 845 | G | A | -0.6591 | |
| 846 | G | A | -0.9934 | |
| 847 | G | A | -0.9655 | |
| 848 | A | A | -0.8733 | |
| 849 | H | A | -1.3361 | |
| 850 | G | A | -1.0401 | |
| 851 | S | A | -1.0903 | |
| 852 | T | A | -1.6619 | |
| 853 | R | A | -3.0321 | |
| 854 | D | A | -3.3912 | |
| 855 | Q | A | -2.2465 | |
| 856 | S | A | -0.3582 | |
| 857 | I | A | 1.6618 |
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 | -0.2343 | 7.0797 | View | CSV | PDB |
| 4.5 | -0.3152 | 7.0182 | View | CSV | PDB |
| 5.0 | -0.4172 | 6.9327 | View | CSV | PDB |
| 5.5 | -0.5191 | 6.8377 | View | CSV | PDB |
| 6.0 | -0.5981 | 6.7477 | View | CSV | PDB |
| 6.5 | -0.6383 | 6.6778 | View | CSV | PDB |
| 7.0 | -0.6398 | 6.6591 | View | CSV | PDB |
| 7.5 | -0.6155 | 6.6591 | View | CSV | PDB |
| 8.0 | -0.578 | 6.6591 | View | CSV | PDB |
| 8.5 | -0.5316 | 6.6591 | View | CSV | PDB |
| 9.0 | -0.4755 | 6.6591 | 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