| Chain sequence(s) | MWGWKCLLFWAVLVTATLCTARPAPTLPEQAQPWGVPVEVESLLVHPGDLLQLRCRLRDDVQSINWLRDGVQLVESNRTRITGEEVEVRDSIPADSGLYACVTSSPSGSDTTYFSVNVSDALPSSEDDDDDDDSSSEEKETDNTKPNRRPVAPYWTSPEKMEKKLHAVPAAKTVKFKCPSSGTPNPTLRWLKNGKEFKPDHRIGGYKVRYATWSIIMDSVVPSDKGNYTCIVENEYGSINHTYQLDVVERSPHRPILQAGLPANKTVALGSNVEFMCKVYSDPQPHIQWLKHIEVNGSKIGPDNLPYVQILKTAGVNTTDKEMEVLHLRNVSFEDAGEYTCLAGNSIGLSHHSAWLTVLEALEERPAVMTSPLYLEIIIYCTGAFLISCMLGSVIIYKMKSGTKKSDFHSQMAVHKLAKSIPLRRQVTVSADSSASMNSGVLLVRPSRLSSSGTPMLAGVSEYELPEDPRWELPRDRLVLGKPLGEGCFGQVVLAEAIGLDKDKPNRVTKVAVKMLKSDATEKDLSDLISEMEMMKMIGKHKNIINLLGACTQDGPLYVIVEYASKGNLREYLQARRPPGLEYCYNPSHNPEEQLSSKDLVSCAYQVARGMEYLASKKCIHRDLAARNVLVTEDNVMKIADFGLARDIHHIDYYKKTTNGRLPVKWMAPEALFDRIYTHQSDVWSFGVLLWEIFTLGGSPYPGVPVEELFKLLKEGHRMDKPSNCTNELYMMMRDCWHAVPSQRPTFKQLVEDLDRIVALTSNQEYLDLSIPLDQYSPSFPDTRSSTCSSGEDSVFSHEPLPEEPCLPRHPTQLANSGLKRR 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 partially or entirely disordered. Average 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 (00:12:53)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d46210a77b318d/tmp/folded.pdb (00:12:53)
[INFO] Main: Simulation completed successfully. (00:27:39)
|
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 | 1.4898 | |
| 2 | W | A | 1.5063 | |
| 3 | G | A | 0.9132 | |
| 4 | W | A | 1.6234 | |
| 5 | K | A | 0.6040 | |
| 6 | C | A | 1.9940 | |
| 7 | L | A | 3.1321 | |
| 8 | L | A | 3.6039 | |
| 9 | F | A | 4.3788 | |
| 10 | W | A | 4.0909 | |
| 11 | A | A | 3.6340 | |
| 12 | V | A | 4.1730 | |
| 13 | L | A | 3.7833 | |
| 14 | V | A | 3.5442 | |
| 15 | T | A | 2.2250 | |
| 16 | A | A | 1.9323 | |
| 17 | T | A | 1.7519 | |
| 18 | L | A | 1.9522 | |
| 19 | C | A | 0.9185 | |
| 20 | T | A | 0.0092 | |
| 21 | A | A | -0.5461 | |
| 22 | R | A | -1.7552 | |
| 23 | P | A | -1.1807 | |
| 24 | A | A | -0.4989 | |
| 25 | P | A | -0.2500 | |
| 26 | T | A | 0.2131 | |
| 27 | L | A | 0.6729 | |
| 28 | P | A | -0.7477 | |
| 29 | E | A | -2.2229 | |
| 30 | Q | A | -2.1954 | |
| 31 | A | A | -1.5488 | |
| 32 | Q | A | -1.5284 | |
| 33 | P | A | -0.1715 | |
| 34 | W | A | 0.9233 | |
| 35 | G | A | 0.9637 | |
| 36 | V | A | 1.9401 | |
| 37 | P | A | 1.1896 | |
| 38 | V | A | 1.5087 | |
| 39 | E | A | -0.3407 | |
| 40 | V | A | 0.6388 | |
| 41 | E | A | -0.3444 | |
| 42 | S | A | -0.1582 | |
| 43 | L | A | 0.3381 | |
| 44 | L | A | 0.4947 | |
| 45 | V | A | -0.6526 | |
| 46 | H | A | -1.7603 | |
| 47 | P | A | -1.7538 | |
| 48 | G | A | -2.3198 | |
| 49 | D | A | -2.8731 | |
| 50 | L | A | -1.8818 | |
| 51 | L | A | 0.0000 | |
| 52 | Q | A | -1.9524 | |
| 53 | L | A | 0.0000 | |
| 54 | R | A | -3.2128 | |
| 55 | C | A | 0.0000 | |
| 56 | R | A | -2.8179 | |
| 57 | L | A | -1.9959 | |
| 58 | R | A | -2.7281 | |
| 59 | D | A | -2.5519 | |
| 60 | D | A | -1.8609 | |
| 61 | V | A | -1.5259 | |
| 62 | Q | A | -1.5702 | |
| 63 | S | A | -0.7590 | |
| 64 | I | A | -0.4613 | |
| 65 | N | A | -0.4665 | |
| 66 | W | A | 0.0000 | |
| 67 | L | A | -0.0660 | |
| 68 | R | A | -0.6381 | |
| 69 | D | A | -1.6226 | |
| 70 | G | A | -0.7192 | |
| 71 | V | A | 0.6020 | |
| 72 | Q | A | -0.5234 | |
| 73 | L | A | 0.0000 | |
| 74 | V | A | 0.5714 | |
| 75 | E | A | -1.9721 | |
| 76 | S | A | -1.6866 | |
| 77 | N | A | -2.4416 | |
| 78 | R | A | -2.7468 | |
| 79 | T | A | 0.0000 | |
| 80 | R | A | -2.6866 | |
| 81 | I | A | -1.2537 | |
| 82 | T | A | -1.4569 | |
| 83 | G | A | -1.4580 | |
| 84 | E | A | -2.6259 | |
| 85 | E | A | -2.8675 | |
| 86 | V | A | 0.0000 | |
| 87 | E | A | -2.0635 | |
| 88 | V | A | 0.0000 | |
| 89 | R | A | -3.4509 | |
| 90 | D | A | -3.1187 | |
| 91 | S | A | 0.0000 | |
| 92 | I | A | -0.0424 | |
| 93 | P | A | -0.2076 | |
| 94 | A | A | 0.2098 | |
| 95 | D | A | 0.0000 | |
| 96 | S | A | -0.2731 | |
| 97 | G | A | -0.7290 | |
| 98 | L | A | -0.2486 | |
| 99 | Y | A | 0.0000 | |
| 100 | A | A | 0.0000 | |
| 101 | C | A | 0.0000 | |
| 102 | V | A | -0.0922 | |
| 103 | T | A | 0.0000 | |
| 104 | S | A | -1.1040 | |
| 105 | S | A | -1.4959 | |
| 106 | P | A | -0.7325 | |
| 107 | S | A | -0.7721 | |
| 108 | G | A | -1.0522 | |
| 109 | S | A | -1.1917 | |
| 110 | D | A | -2.1064 | |
| 111 | T | A | -0.7666 | |
| 112 | T | A | -0.5274 | |
| 113 | Y | A | 0.7642 | |
| 114 | F | A | 0.0000 | |
| 115 | S | A | 0.0206 | |
| 116 | V | A | 0.0000 | |
| 117 | N | A | -0.7185 | |
| 118 | V | A | 0.0000 | |
| 119 | S | A | -0.9176 | |
| 120 | D | A | -1.7092 | |
| 121 | A | A | -0.2656 | |
| 122 | L | A | 0.9294 | |
| 123 | P | A | 0.0310 | |
| 124 | S | A | -0.6256 | |
| 125 | S | A | -1.6397 | |
| 126 | E | A | -3.4788 | |
| 127 | D | A | -4.3505 | |
| 128 | D | A | -4.4040 | |
| 129 | D | A | -4.5552 | |
| 130 | D | A | -4.7297 | |
| 131 | D | A | -4.3375 | |
| 132 | D | A | -4.0726 | |
| 133 | D | A | -3.4748 | |
| 134 | S | A | -1.8994 | |
| 135 | S | A | -1.4712 | |
| 136 | S | A | -2.0490 | |
| 137 | E | A | -3.5015 | |
| 138 | E | A | -4.2014 | |
| 139 | K | A | -4.1400 | |
| 140 | E | A | -4.1411 | |
| 141 | T | A | -2.8316 | |
| 142 | D | A | -3.4595 | |
| 143 | N | A | -2.8288 | |
| 144 | T | A | -2.1260 | |
| 145 | K | A | -3.0423 | |
| 146 | P | A | -2.5326 | |
| 147 | N | A | -3.2393 | |
| 148 | R | A | -3.6515 | |
| 149 | R | A | -3.0888 | |
| 150 | P | A | -1.5896 | |
| 151 | V | A | -0.3566 | |
| 152 | A | A | 0.1478 | |
| 153 | P | A | 0.0000 | |
| 154 | Y | A | 0.9767 | |
| 155 | W | A | 0.2812 | |
| 156 | T | A | -0.0411 | |
| 157 | S | A | -0.9571 | |
| 158 | P | A | -1.5679 | |
| 159 | E | A | -3.0043 | |
| 160 | K | A | -2.6515 | |
| 161 | M | A | 0.0000 | |
| 162 | E | A | -3.8199 | |
| 163 | K | A | -3.5956 | |
| 164 | K | A | -2.9414 | |
| 165 | L | A | -1.1909 | |
| 166 | H | A | -1.1796 | |
| 167 | A | A | -0.3624 | |
| 168 | V | A | -0.5466 | |
| 169 | P | A | -0.9944 | |
| 170 | A | A | -0.9215 | |
| 171 | A | A | -0.6040 | |
| 172 | K | A | -0.9735 | |
| 173 | T | A | -1.0822 | |
| 174 | V | A | 0.0000 | |
| 175 | K | A | -2.0132 | |
| 176 | F | A | 0.0000 | |
| 177 | K | A | -1.2007 | |
| 178 | C | A | 0.0000 | |
| 179 | P | A | 0.0000 | |
| 180 | S | A | 0.0000 | |
| 181 | S | A | -0.0974 | |
| 182 | G | A | -0.4000 | |
| 183 | T | A | -1.0619 | |
| 184 | P | A | -1.4378 | |
| 185 | N | A | -1.7412 | |
| 186 | P | A | 0.0000 | |
| 187 | T | A | -0.9749 | |
| 188 | L | A | 0.0000 | |
| 189 | R | A | -1.5009 | |
| 190 | W | A | 0.0000 | |
| 191 | L | A | -1.9032 | |
| 192 | K | A | -2.4903 | |
| 193 | N | A | -2.7267 | |
| 194 | G | A | -2.2706 | |
| 195 | K | A | -3.1052 | |
| 196 | E | A | -2.9364 | |
| 197 | F | A | 0.0000 | |
| 198 | K | A | -2.7409 | |
| 199 | P | A | -1.8514 | |
| 200 | D | A | -2.3706 | |
| 201 | H | A | -2.3410 | |
| 202 | R | A | 0.0000 | |
| 203 | I | A | 0.7376 | |
| 204 | G | A | -0.2494 | |
| 205 | G | A | -0.9381 | |
| 206 | Y | A | -1.3818 | |
| 207 | K | A | -1.7848 | |
| 208 | V | A | -0.9147 | |
| 209 | R | A | -1.0565 | |
| 210 | Y | A | 0.5188 | |
| 211 | A | A | 0.2866 | |
| 212 | T | A | -0.0830 | |
| 213 | W | A | 0.0738 | |
| 214 | S | A | 0.0000 | |
| 215 | I | A | 0.0000 | |
| 216 | I | A | -1.4474 | |
| 217 | M | A | 0.0000 | |
| 218 | D | A | -1.2538 | |
| 219 | S | A | -0.5533 | |
| 220 | V | A | 0.0000 | |
| 221 | V | A | -0.1592 | |
| 222 | P | A | -0.6942 | |
| 223 | S | A | -0.6712 | |
| 224 | D | A | 0.0000 | |
| 225 | K | A | -2.3161 | |
| 226 | G | A | 0.0000 | |
| 227 | N | A | -2.0650 | |
| 228 | Y | A | 0.0000 | |
| 229 | T | A | -1.3438 | |
| 230 | C | A | 0.0000 | |
| 231 | I | A | -0.8185 | |
| 232 | V | A | 0.0000 | |
| 233 | E | A | -1.7175 | |
| 234 | N | A | -1.5095 | |
| 235 | E | A | -1.7133 | |
| 236 | Y | A | 0.1595 | |
| 237 | G | A | -0.2366 | |
| 238 | S | A | -0.7345 | |
| 239 | I | A | -0.3819 | |
| 240 | N | A | -1.2552 | |
| 241 | H | A | -1.1747 | |
| 242 | T | A | -1.1276 | |
| 243 | Y | A | 0.0000 | |
| 244 | Q | A | -2.0829 | |
| 245 | L | A | 0.0000 | |
| 246 | D | A | -1.5297 | |
| 247 | V | A | 0.0000 | |
| 248 | V | A | -1.0802 | |
| 249 | E | A | -2.4806 | |
| 250 | R | A | -2.8980 | |
| 251 | S | A | -2.0173 | |
| 252 | P | A | -1.9177 | |
| 253 | H | A | -1.2556 | |
| 254 | R | A | -1.3022 | |
| 255 | P | A | 0.0000 | |
| 256 | I | A | 0.9127 | |
| 257 | L | A | 0.2499 | |
| 258 | Q | A | -0.0663 | |
| 259 | A | A | -0.2338 | |
| 260 | G | A | -0.6481 | |
| 261 | L | A | -0.4390 | |
| 262 | P | A | 0.0000 | |
| 263 | A | A | -0.8088 | |
| 264 | N | A | -1.5264 | |
| 265 | K | A | -1.3538 | |
| 266 | T | A | -0.1882 | |
| 267 | V | A | 0.0273 | |
| 268 | A | A | 0.3913 | |
| 269 | L | A | 0.2791 | |
| 270 | G | A | -1.1194 | |
| 271 | S | A | -1.4614 | |
| 272 | N | A | -2.8827 | |
| 273 | V | A | 0.0000 | |
| 274 | E | A | -2.2053 | |
| 275 | F | A | 0.0000 | |
| 276 | M | A | -0.5035 | |
| 277 | C | A | 0.0000 | |
| 278 | K | A | -0.4751 | |
| 279 | V | A | 0.0962 | |
| 280 | Y | A | 0.7278 | |
| 281 | S | A | -0.6002 | |
| 282 | D | A | -1.7716 | |
| 283 | P | A | -1.9295 | |
| 284 | Q | A | -2.3113 | |
| 285 | P | A | -1.3217 | |
| 286 | H | A | -1.2818 | |
| 287 | I | A | 0.0000 | |
| 288 | Q | A | -0.2532 | |
| 289 | W | A | 0.0000 | |
| 290 | L | A | 0.4619 | |
| 291 | K | A | 0.0272 | |
| 292 | H | A | -0.4017 | |
| 293 | I | A | -0.4088 | |
| 294 | E | A | -1.8705 | |
| 295 | V | A | -0.8263 | |
| 296 | N | A | -1.7104 | |
| 297 | G | A | -1.5124 | |
| 298 | S | A | -1.1875 | |
| 299 | K | A | -1.1149 | |
| 300 | I | A | -0.0571 | |
| 301 | G | A | -0.4614 | |
| 302 | P | A | -1.0254 | |
| 303 | D | A | -1.9042 | |
| 304 | N | A | -1.3127 | |
| 305 | L | A | 0.5759 | |
| 306 | P | A | 0.2543 | |
| 307 | Y | A | 0.3288 | |
| 308 | V | A | 0.6331 | |
| 309 | Q | A | -0.0071 | |
| 310 | I | A | 1.1149 | |
| 311 | L | A | 0.7639 | |
| 312 | K | A | 0.0156 | |
| 313 | T | A | -0.0822 | |
| 314 | A | A | -0.6349 | |
| 315 | G | A | 0.1176 | |
| 316 | V | A | 0.6889 | |
| 317 | N | A | -0.6113 | |
| 318 | T | A | -1.0815 | |
| 319 | T | A | -1.6782 | |
| 320 | D | A | -2.7443 | |
| 321 | K | A | -2.9081 | |
| 322 | E | A | -2.6109 | |
| 323 | M | A | 0.0000 | |
| 324 | E | A | -1.4107 | |
| 325 | V | A | -1.2622 | |
| 326 | L | A | 0.0000 | |
| 327 | H | A | -2.1376 | |
| 328 | L | A | -2.1494 | |
| 329 | R | A | -3.4031 | |
| 330 | N | A | -2.6537 | |
| 331 | V | A | 0.0000 | |
| 332 | S | A | -0.6057 | |
| 333 | F | A | 0.6717 | |
| 334 | E | A | -1.2290 | |
| 335 | D | A | -0.9337 | |
| 336 | A | A | -0.1710 | |
| 337 | G | A | 0.0000 | |
| 338 | E | A | -0.6846 | |
| 339 | Y | A | 0.0000 | |
| 340 | T | A | 0.0000 | |
| 341 | C | A | 0.0000 | |
| 342 | L | A | -0.1021 | |
| 343 | A | A | 0.0000 | |
| 344 | G | A | -0.2590 | |
| 345 | N | A | -0.9499 | |
| 346 | S | A | -0.2737 | |
| 347 | I | A | -0.0867 | |
| 348 | G | A | 0.1283 | |
| 349 | L | A | 0.8615 | |
| 350 | S | A | 0.1033 | |
| 351 | H | A | -0.5368 | |
| 352 | H | A | -0.8318 | |
| 353 | S | A | -0.7031 | |
| 354 | A | A | 0.0000 | |
| 355 | W | A | -0.3676 | |
| 356 | L | A | 0.0000 | |
| 357 | T | A | 0.3064 | |
| 358 | V | A | 0.6429 | |
| 359 | L | A | 1.1536 | |
| 360 | E | A | -0.5461 | |
| 361 | A | A | -0.3916 | |
| 362 | L | A | -0.3554 | |
| 363 | E | A | -2.7987 | |
| 364 | E | A | -3.2327 | |
| 365 | R | A | -2.9308 | |
| 366 | P | A | -1.2213 | |
| 367 | A | A | 0.1709 | |
| 368 | V | A | 1.9405 | |
| 369 | M | A | 2.2389 | |
| 370 | T | A | 1.6282 | |
| 371 | S | A | 1.3710 | |
| 372 | P | A | 1.0979 | |
| 373 | L | A | 2.4194 | |
| 374 | Y | A | 2.9052 | |
| 375 | L | A | 2.6676 | |
| 376 | E | A | 1.7981 | |
| 377 | I | A | 3.1276 | |
| 378 | I | A | 3.3049 | |
| 379 | I | A | 3.7938 | |
| 380 | Y | A | 3.4835 | |
| 381 | C | A | 3.3483 | |
| 382 | T | A | 2.9020 | |
| 383 | G | A | 2.9761 | |
| 384 | A | A | 3.1128 | |
| 385 | F | A | 3.9936 | |
| 386 | L | A | 3.7510 | |
| 387 | I | A | 3.8936 | |
| 388 | S | A | 2.6357 | |
| 389 | C | A | 2.7070 | |
| 390 | M | A | 3.3626 | |
| 391 | L | A | 3.0609 | |
| 392 | G | A | 2.1059 | |
| 393 | S | A | 2.3474 | |
| 394 | V | A | 2.8014 | |
| 395 | I | A | 2.4762 | |
| 396 | I | A | 2.4606 | |
| 397 | Y | A | 1.6771 | |
| 398 | K | A | 0.0105 | |
| 399 | M | A | 0.7082 | |
| 400 | K | A | -0.7866 | |
| 401 | S | A | -0.8749 | |
| 402 | G | A | -1.3533 | |
| 403 | T | A | -1.8532 | |
| 404 | K | A | -2.7252 | |
| 405 | K | A | -3.0195 | |
| 406 | S | A | -1.9752 | |
| 407 | D | A | -1.4057 | |
| 408 | F | A | 0.3977 | |
| 409 | H | A | -0.8098 | |
| 410 | S | A | -0.6864 | |
| 411 | Q | A | -0.9204 | |
| 412 | M | A | 0.7522 | |
| 413 | A | A | 1.0088 | |
| 414 | V | A | 1.1765 | |
| 415 | H | A | -0.5110 | |
| 416 | K | A | -0.9357 | |
| 417 | L | A | 0.0868 | |
| 418 | A | A | -0.4295 | |
| 419 | K | A | -1.0867 | |
| 420 | S | A | -0.0958 | |
| 421 | I | A | 1.7680 | |
| 422 | P | A | 1.0287 | |
| 423 | L | A | 0.5351 | |
| 424 | R | A | -2.2902 | |
| 425 | R | A | -2.6680 | |
| 426 | Q | A | -1.6416 | |
| 427 | V | A | 1.2035 | |
| 428 | T | A | 1.4344 | |
| 429 | V | A | 2.0490 | |
| 430 | S | A | 0.3087 | |
| 431 | A | A | -0.5499 | |
| 432 | D | A | -1.9640 | |
| 433 | S | A | -1.2165 | |
| 434 | S | A | -0.6465 | |
| 435 | A | A | 0.0282 | |
| 436 | S | A | 0.0327 | |
| 437 | M | A | 0.1689 | |
| 438 | N | A | -0.7322 | |
| 439 | S | A | -0.3971 | |
| 440 | G | A | 0.5591 | |
| 441 | V | A | 2.5706 | |
| 442 | L | A | 3.1101 | |
| 443 | L | A | 2.4895 | |
| 444 | V | A | 0.6291 | |
| 445 | R | A | -1.9510 | |
| 446 | P | A | -1.9103 | |
| 447 | S | A | -1.7630 | |
| 448 | R | A | -1.4760 | |
| 449 | L | A | 0.4194 | |
| 450 | S | A | -0.0062 | |
| 451 | S | A | -0.1520 | |
| 452 | S | A | -0.6251 | |
| 453 | G | A | -0.5561 | |
| 454 | T | A | -0.1155 | |
| 455 | P | A | 0.2657 | |
| 456 | M | A | 1.0893 | |
| 457 | L | A | 0.6835 | |
| 458 | A | A | 0.2089 | |
| 459 | G | A | -0.6527 | |
| 460 | V | A | -0.6790 | |
| 461 | S | A | -1.1324 | |
| 462 | E | A | -2.2831 | |
| 463 | Y | A | -1.1378 | |
| 464 | E | A | -2.6359 | |
| 465 | L | A | -1.5612 | |
| 466 | P | A | -1.4668 | |
| 467 | E | A | -3.0243 | |
| 468 | D | A | -2.6124 | |
| 469 | P | A | -2.1757 | |
| 470 | R | A | -2.5277 | |
| 471 | W | A | -1.5494 | |
| 472 | E | A | -1.6991 | |
| 473 | L | A | 0.0000 | |
| 474 | P | A | -1.4479 | |
| 475 | R | A | -1.6212 | |
| 476 | D | A | -1.9750 | |
| 477 | R | A | -1.1104 | |
| 478 | L | A | 0.0000 | |
| 479 | V | A | 1.2493 | |
| 480 | L | A | 0.7332 | |
| 481 | G | A | -0.7515 | |
| 482 | K | A | -1.6631 | |
| 483 | P | A | -1.0826 | |
| 484 | L | A | -0.3715 | |
| 485 | G | A | -0.9978 | |
| 486 | E | A | -1.4669 | |
| 487 | G | A | -0.1909 | |
| 488 | C | A | 0.7390 | |
| 489 | F | A | 1.1300 | |
| 490 | G | A | 0.0316 | |
| 491 | Q | A | -0.6207 | |
| 492 | V | A | -0.5176 | |
| 493 | V | A | 0.0000 | |
| 494 | L | A | -0.4629 | |
| 495 | A | A | 0.0000 | |
| 496 | E | A | -0.4130 | |
| 497 | A | A | 0.0000 | |
| 498 | I | A | -0.4535 | |
| 499 | G | A | -1.7798 | |
| 500 | L | A | -0.9170 | |
| 501 | D | A | -2.4246 | |
| 502 | K | A | -3.6231 | |
| 503 | D | A | -3.8919 | |
| 504 | K | A | -3.8184 | |
| 505 | P | A | -2.7425 | |
| 506 | N | A | -2.4641 | |
| 507 | R | A | -2.0526 | |
| 508 | V | A | 0.2506 | |
| 509 | T | A | -0.5189 | |
| 510 | K | A | -1.1866 | |
| 511 | V | A | 0.0000 | |
| 512 | A | A | 0.0000 | |
| 513 | V | A | 0.0000 | |
| 514 | K | A | -0.0405 | |
| 515 | M | A | 0.1396 | |
| 516 | L | A | -0.0328 | |
| 517 | K | A | -0.6570 | |
| 518 | S | A | -0.8894 | |
| 519 | D | A | -1.6573 | |
| 520 | A | A | 0.0000 | |
| 521 | T | A | -1.3608 | |
| 522 | E | A | -2.1878 | |
| 523 | K | A | -2.1200 | |
| 524 | D | A | 0.0000 | |
| 525 | L | A | -0.5823 | |
| 526 | S | A | -1.1763 | |
| 527 | D | A | -0.9928 | |
| 528 | L | A | 0.0000 | |
| 529 | I | A | 0.0000 | |
| 530 | S | A | -0.8277 | |
| 531 | E | A | 0.0000 | |
| 532 | M | A | 0.0000 | |
| 533 | E | A | -1.8215 | |
| 534 | M | A | -1.0099 | |
| 535 | M | A | 0.0000 | |
| 536 | K | A | -1.2270 | |
| 537 | M | A | -0.8021 | |
| 538 | I | A | 0.0000 | |
| 539 | G | A | -1.1519 | |
| 540 | K | A | -2.2007 | |
| 541 | H | A | -1.9141 | |
| 542 | K | A | -2.2346 | |
| 543 | N | A | 0.0000 | |
| 544 | I | A | 0.0000 | |
| 545 | I | A | 0.0000 | |
| 546 | N | A | 0.0000 | |
| 547 | L | A | 0.0000 | |
| 548 | L | A | 0.0024 | |
| 549 | G | A | 0.0000 | |
| 550 | A | A | 0.0000 | |
| 551 | C | A | 0.0000 | |
| 552 | T | A | -1.6086 | |
| 553 | Q | A | -2.3431 | |
| 554 | D | A | -2.4189 | |
| 555 | G | A | -1.1824 | |
| 556 | P | A | -0.3121 | |
| 557 | L | A | 0.0000 | |
| 558 | Y | A | 0.0272 | |
| 559 | V | A | 0.0000 | |
| 560 | I | A | 0.0000 | |
| 561 | V | A | 0.0000 | |
| 562 | E | A | -0.3809 | |
| 563 | Y | A | -0.5280 | |
| 564 | A | A | 0.0000 | |
| 565 | S | A | -1.2971 | |
| 566 | K | A | -1.6702 | |
| 567 | G | A | -1.1227 | |
| 568 | N | A | -1.1692 | |
| 569 | L | A | 0.0000 | |
| 570 | R | A | -1.6173 | |
| 571 | E | A | -2.4024 | |
| 572 | Y | A | 0.0000 | |
| 573 | L | A | 0.0000 | |
| 574 | Q | A | -1.2574 | |
| 575 | A | A | -1.8671 | |
| 576 | R | A | 0.0000 | |
| 577 | R | A | -1.1749 | |
| 578 | P | A | -1.2093 | |
| 579 | P | A | -1.1211 | |
| 580 | G | A | -0.7189 | |
| 581 | L | A | -0.2755 | |
| 582 | E | A | -1.0892 | |
| 583 | Y | A | 0.2093 | |
| 584 | C | A | 0.0139 | |
| 585 | Y | A | 0.6747 | |
| 586 | N | A | -1.1018 | |
| 587 | P | A | -1.1924 | |
| 588 | S | A | -1.3788 | |
| 589 | H | A | -2.2973 | |
| 590 | N | A | -2.5551 | |
| 591 | P | A | -2.4319 | |
| 592 | E | A | -2.8298 | |
| 593 | E | A | -3.0783 | |
| 594 | Q | A | -2.4695 | |
| 595 | L | A | -1.4199 | |
| 596 | S | A | -1.1752 | |
| 597 | S | A | -0.9876 | |
| 598 | K | A | -0.8632 | |
| 599 | D | A | -1.2942 | |
| 600 | L | A | 0.0000 | |
| 601 | V | A | 0.0000 | |
| 602 | S | A | -0.6817 | |
| 603 | C | A | 0.0000 | |
| 604 | A | A | 0.0000 | |
| 605 | Y | A | -0.9690 | |
| 606 | Q | A | -0.7389 | |
| 607 | V | A | 0.0000 | |
| 608 | A | A | 0.0000 | |
| 609 | R | A | -1.8665 | |
| 610 | G | A | 0.0000 | |
| 611 | M | A | 0.0000 | |
| 612 | E | A | -1.5427 | |
| 613 | Y | A | -1.2285 | |
| 614 | L | A | 0.0000 | |
| 615 | A | A | -1.1550 | |
| 616 | S | A | -1.0462 | |
| 617 | K | A | -1.3211 | |
| 618 | K | A | -1.8157 | |
| 619 | C | A | 0.0000 | |
| 620 | I | A | 0.0000 | |
| 621 | H | A | 0.0000 | |
| 622 | R | A | 0.0000 | |
| 623 | D | A | -0.3351 | |
| 624 | L | A | 0.0000 | |
| 625 | A | A | 0.0000 | |
| 626 | A | A | 0.0000 | |
| 627 | R | A | -1.3328 | |
| 628 | N | A | 0.0000 | |
| 629 | V | A | 0.0000 | |
| 630 | L | A | -0.4770 | |
| 631 | V | A | 0.0000 | |
| 632 | T | A | -1.8545 | |
| 633 | E | A | -3.0615 | |
| 634 | D | A | -3.0824 | |
| 635 | N | A | -2.3187 | |
| 636 | V | A | -1.4599 | |
| 637 | M | A | 0.0000 | |
| 638 | K | A | 0.0000 | |
| 639 | I | A | 0.0000 | |
| 640 | A | A | 0.0000 | |
| 641 | D | A | -1.3463 | |
| 642 | F | A | 0.0000 | |
| 643 | G | A | -0.4047 | |
| 644 | L | A | -0.1980 | |
| 645 | A | A | 0.0000 | |
| 646 | R | A | -0.8231 | |
| 647 | D | A | -1.2205 | |
| 648 | I | A | -0.9839 | |
| 649 | H | A | -1.7618 | |
| 650 | H | A | -1.1081 | |
| 651 | I | A | -0.0831 | |
| 652 | D | A | -0.8994 | |
| 653 | Y | A | 0.3595 | |
| 654 | Y | A | 0.0093 | |
| 655 | K | A | -1.1315 | |
| 656 | K | A | -1.1734 | |
| 657 | T | A | -0.8558 | |
| 658 | T | A | -1.1742 | |
| 659 | N | A | -1.6996 | |
| 660 | G | A | -1.4973 | |
| 661 | R | A | -1.7091 | |
| 662 | L | A | -0.3396 | |
| 663 | P | A | -0.0026 | |
| 664 | V | A | 0.1452 | |
| 665 | K | A | 0.2026 | |
| 666 | W | A | 0.1282 | |
| 667 | M | A | 0.0000 | |
| 668 | A | A | 0.0000 | |
| 669 | P | A | -0.1353 | |
| 670 | E | A | -0.3388 | |
| 671 | A | A | 0.0000 | |
| 672 | L | A | 0.1282 | |
| 673 | F | A | -0.0421 | |
| 674 | D | A | -1.7872 | |
| 675 | R | A | -1.5260 | |
| 676 | I | A | -0.6043 | |
| 677 | Y | A | 0.0000 | |
| 678 | T | A | -0.1184 | |
| 679 | H | A | -0.5162 | |
| 680 | Q | A | -0.3526 | |
| 681 | S | A | 0.0000 | |
| 682 | D | A | 0.0000 | |
| 683 | V | A | 0.0000 | |
| 684 | W | A | 0.0000 | |
| 685 | S | A | 0.0000 | |
| 686 | F | A | 0.0000 | |
| 687 | G | A | 0.0000 | |
| 688 | V | A | 0.0000 | |
| 689 | L | A | 0.0000 | |
| 690 | L | A | 0.0000 | |
| 691 | W | A | 0.0000 | |
| 692 | E | A | 0.0000 | |
| 693 | I | A | 0.0000 | |
| 694 | F | A | 0.0000 | |
| 695 | T | A | 0.0000 | |
| 696 | L | A | 0.0000 | |
| 697 | G | A | 0.0000 | |
| 698 | G | A | 0.0000 | |
| 699 | S | A | -0.2959 | |
| 700 | P | A | 0.0000 | |
| 701 | Y | A | 0.0000 | |
| 702 | P | A | -0.4272 | |
| 703 | G | A | -0.4329 | |
| 704 | V | A | -0.4594 | |
| 705 | P | A | -0.7447 | |
| 706 | V | A | -0.6476 | |
| 707 | E | A | -2.0934 | |
| 708 | E | A | -1.5940 | |
| 709 | L | A | 0.0000 | |
| 710 | F | A | -0.7729 | |
| 711 | K | A | -1.5303 | |
| 712 | L | A | -1.4207 | |
| 713 | L | A | 0.0000 | |
| 714 | K | A | -2.5773 | |
| 715 | E | A | -2.7316 | |
| 716 | G | A | -2.1507 | |
| 717 | H | A | -1.6679 | |
| 718 | R | A | -1.4823 | |
| 719 | M | A | 0.0000 | |
| 720 | D | A | -2.3811 | |
| 721 | K | A | -1.9564 | |
| 722 | P | A | 0.0000 | |
| 723 | S | A | -0.8744 | |
| 724 | N | A | -0.8495 | |
| 725 | C | A | 0.0000 | |
| 726 | T | A | -1.4293 | |
| 727 | N | A | -2.0766 | |
| 728 | E | A | -2.4086 | |
| 729 | L | A | 0.0000 | |
| 730 | Y | A | 0.0000 | |
| 731 | M | A | -1.2034 | |
| 732 | M | A | 0.0000 | |
| 733 | M | A | 0.0000 | |
| 734 | R | A | -2.3708 | |
| 735 | D | A | -2.0869 | |
| 736 | C | A | 0.0000 | |
| 737 | W | A | 0.0000 | |
| 738 | H | A | -1.1256 | |
| 739 | A | A | -0.1975 | |
| 740 | V | A | 1.0315 | |
| 741 | P | A | -0.0575 | |
| 742 | S | A | -0.4042 | |
| 743 | Q | A | -1.1833 | |
| 744 | R | A | 0.0000 | |
| 745 | P | A | -1.4499 | |
| 746 | T | A | -1.3968 | |
| 747 | F | A | 0.0000 | |
| 748 | K | A | -2.8313 | |
| 749 | Q | A | -2.8856 | |
| 750 | L | A | 0.0000 | |
| 751 | V | A | -2.7824 | |
| 752 | E | A | -3.9293 | |
| 753 | D | A | -3.4826 | |
| 754 | L | A | 0.0000 | |
| 755 | D | A | -2.8235 | |
| 756 | R | A | -2.5934 | |
| 757 | I | A | -1.1379 | |
| 758 | V | A | -0.7144 | |
| 759 | A | A | -0.5462 | |
| 760 | L | A | 0.0728 | |
| 761 | T | A | -0.9139 | |
| 762 | S | A | -1.0087 | |
| 763 | N | A | -1.2728 | |
| 764 | Q | A | -1.7133 | |
| 765 | E | A | -1.9329 | |
| 766 | Y | A | 0.1578 | |
| 767 | L | A | 0.6198 | |
| 768 | D | A | -0.1324 | |
| 769 | L | A | 1.9149 | |
| 770 | S | A | 1.2784 | |
| 771 | I | A | 1.9681 | |
| 772 | P | A | 0.9753 | |
| 773 | L | A | 1.1175 | |
| 774 | D | A | -1.1566 | |
| 775 | Q | A | -1.1721 | |
| 776 | Y | A | 0.3376 | |
| 777 | S | A | -0.0386 | |
| 778 | P | A | 0.2107 | |
| 779 | S | A | 0.6478 | |
| 780 | F | A | 1.1571 | |
| 781 | P | A | -0.2110 | |
| 782 | D | A | -1.8217 | |
| 783 | T | A | -1.7489 | |
| 784 | R | A | -2.4052 | |
| 785 | S | A | -1.4167 | |
| 786 | S | A | -0.6273 | |
| 787 | T | A | -0.1048 | |
| 788 | C | A | 0.4860 | |
| 789 | S | A | -0.0215 | |
| 790 | S | A | -0.8259 | |
| 791 | G | A | -1.9833 | |
| 792 | E | A | -3.0020 | |
| 793 | D | A | -2.4427 | |
| 794 | S | A | -0.2495 | |
| 795 | V | A | 2.1308 | |
| 796 | F | A | 2.3977 | |
| 797 | S | A | 0.3727 | |
| 798 | H | A | -1.6261 | |
| 799 | E | A | -2.1287 | |
| 800 | P | A | -0.6755 | |
| 801 | L | A | 0.5529 | |
| 802 | P | A | -0.7982 | |
| 803 | E | A | -2.5611 | |
| 804 | E | A | -2.7670 | |
| 805 | P | A | -0.9172 | |
| 806 | C | A | 0.7619 | |
| 807 | L | A | 1.3659 | |
| 808 | P | A | -0.4248 | |
| 809 | R | A | -2.1959 | |
| 810 | H | A | -2.0561 | |
| 811 | P | A | -1.3863 | |
| 812 | T | A | -0.7077 | |
| 813 | Q | A | -0.5179 | |
| 814 | L | A | 0.7015 | |
| 815 | A | A | -0.2164 | |
| 816 | N | A | -1.0963 | |
| 817 | S | A | -0.7360 | |
| 818 | G | A | -0.4873 | |
| 819 | L | A | -0.0581 | |
| 820 | K | A | -2.2083 | |
| 821 | R | A | -3.3215 | |
| 822 | R | A | -3.1994 |
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 | -0.2834 | 7.9399 | View | CSV | PDB |
| 4.5 | -0.3701 | 7.9417 | View | CSV | PDB |
| 5.0 | -0.4772 | 7.9473 | View | CSV | PDB |
| 5.5 | -0.5851 | 7.9631 | View | CSV | PDB |
| 6.0 | -0.6747 | 8.0014 | View | CSV | PDB |
| 6.5 | -0.7336 | 8.0725 | View | CSV | PDB |
| 7.0 | -0.7613 | 8.1709 | View | CSV | PDB |
| 7.5 | -0.7679 | 8.2834 | View | CSV | PDB |
| 8.0 | -0.7626 | 8.4013 | View | CSV | PDB |
| 8.5 | -0.7474 | 8.5206 | View | CSV | PDB |
| 9.0 | -0.7207 | 8.6397 | 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