| Chain sequence(s) | MWLQLGLPSLSLSPTPTVGRSLCLILWFLSLVLRASTQAPAPTVNTHFGKLRGARVPLPSEILGPVDQYLGVPYAAPPIGEKRFLPPEPPPSWSGIRNATHFPPVCPQNIHTAVPEVMLPVWFTANLDIVATYIQEPNEDCLYLNVYVPTEDVKRISKECARKPNKKICRKGGSGAKKQGEDLADNDGDEDEDIRDSGAKPVMVYIHGGSYMEGTGNMIDGSVLASYGNVIVITLNYRVGVLGFLSTGDQAAKGNYGLLDQIQALRWVSENIAFFGGDPRRITVFGSGIGASCVSLLTLSHHSEGLFQRAIIQSGSALSSWAVNYQPVKYTSLLADKVGCNVLDTVDMVDCLRQKSAKELVEQDIQPARYHVAFGPVIDGDVIPDDPEILMEQGEFLNYDIMLGVNQGEGLKFVEGVVDPEDGVSGTDFDYSVSNFVDNLYGYPEGKDTLRETIKFMYTDWADRDNPETRRKTLVALFTDHQWVEPSVVTADLHARYGSPTYFYAFYHHCQSLMKPAWSDAAHGDEVPYVFGVPMVGPTDLFPCNFSKNDVMLSAVVMTYWTNFAKTGDPNKPVPQDTKFIHTKANRFEEVAWSKYNPRDQLYLHIGLKPRVRDHYRATKVAFWKHLVPHLYNLHDMFHYTSTTTKVPPPDTTHSSHITRRPNGKTWSTKRPAISPAYSNENAPGSWNGDQDAGPLLVENPRDYSTELSVTIAVGASLLFLNVLAFAALYYRKDKRRQEPLRQPSPQRGTGAPELGTAPEEELAALQLGPTHHECEAGPPHDTLRLTALPDYTLTLRRSPDDIPLMTPNTITMIPNSLVGLQTLHPYNTFAAGFNSTGLPNSHSTTRV 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. (00:00:15)
[INFO] FoldX: Starting FoldX energy minimization (00:00:15)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:38:33)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/4ae022eaa7c991/tmp/folded.pdb (00:38:33)
[INFO] Main: Simulation completed successfully. (00:51:19)
|
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 | 2.0345 | |
| 2 | W | A | 2.2597 | |
| 3 | L | A | 2.1272 | |
| 4 | Q | A | 0.4882 | |
| 5 | L | A | 1.4398 | |
| 6 | G | A | 0.7255 | |
| 7 | L | A | 1.6454 | |
| 8 | P | A | 0.6361 | |
| 9 | S | A | 0.8948 | |
| 10 | L | A | 1.7581 | |
| 11 | S | A | 1.1969 | |
| 12 | L | A | 1.5648 | |
| 13 | S | A | 0.3742 | |
| 14 | P | A | -0.0679 | |
| 15 | T | A | 0.0134 | |
| 16 | P | A | -0.1821 | |
| 17 | T | A | 0.1013 | |
| 18 | V | A | 1.4689 | |
| 19 | G | A | 0.5535 | |
| 20 | R | A | -0.2397 | |
| 21 | S | A | 1.4159 | |
| 22 | L | A | 2.9599 | |
| 23 | C | A | 2.9639 | |
| 24 | L | A | 3.5569 | |
| 25 | I | A | 4.3999 | |
| 26 | L | A | 4.5210 | |
| 27 | W | A | 4.6547 | |
| 28 | F | A | 4.6175 | |
| 29 | L | A | 4.1679 | |
| 30 | S | A | 2.9062 | |
| 31 | L | A | 2.8837 | |
| 32 | V | A | 2.9511 | |
| 33 | L | A | 2.0118 | |
| 34 | R | A | -0.2749 | |
| 35 | A | A | 0.1762 | |
| 36 | S | A | -0.0249 | |
| 37 | T | A | -0.6995 | |
| 38 | Q | A | -1.5587 | |
| 39 | A | A | -0.8774 | |
| 40 | P | A | -0.7600 | |
| 41 | A | A | -0.8775 | |
| 42 | P | A | -0.5263 | |
| 43 | T | A | -0.6240 | |
| 44 | V | A | -0.3743 | |
| 45 | N | A | -1.1905 | |
| 46 | T | A | 0.0000 | |
| 47 | H | A | -1.3324 | |
| 48 | F | A | -0.7479 | |
| 49 | G | A | -0.9176 | |
| 50 | K | A | -1.4881 | |
| 51 | L | A | 0.0000 | |
| 52 | R | A | -1.3669 | |
| 53 | G | A | 0.0000 | |
| 54 | A | A | -0.8893 | |
| 55 | R | A | -1.0223 | |
| 56 | V | A | -0.1335 | |
| 57 | P | A | -0.4302 | |
| 58 | L | A | -0.0562 | |
| 59 | P | A | -0.2092 | |
| 60 | S | A | -0.3863 | |
| 61 | E | A | -1.2010 | |
| 62 | I | A | 0.6404 | |
| 63 | L | A | 0.1671 | |
| 64 | G | A | 0.0000 | |
| 65 | P | A | -0.5480 | |
| 66 | V | A | 0.0000 | |
| 67 | D | A | 0.0000 | |
| 68 | Q | A | -0.5942 | |
| 69 | Y | A | 0.0000 | |
| 70 | L | A | -0.2850 | |
| 71 | G | A | 0.0000 | |
| 72 | V | A | 0.0000 | |
| 73 | P | A | -0.0982 | |
| 74 | Y | A | 0.0000 | |
| 75 | A | A | 0.0000 | |
| 76 | A | A | -0.5504 | |
| 77 | P | A | -0.5220 | |
| 78 | P | A | 0.0000 | |
| 79 | I | A | -0.1756 | |
| 80 | G | A | -1.4111 | |
| 81 | E | A | -2.1885 | |
| 82 | K | A | -0.9052 | |
| 83 | R | A | 0.0000 | |
| 84 | F | A | 0.0000 | |
| 85 | L | A | 0.1461 | |
| 86 | P | A | -0.1557 | |
| 87 | P | A | -0.5339 | |
| 88 | E | A | -1.1842 | |
| 89 | P | A | -1.0407 | |
| 90 | P | A | 0.0000 | |
| 91 | P | A | -0.4696 | |
| 92 | S | A | -0.4913 | |
| 93 | W | A | -0.2738 | |
| 94 | S | A | -0.3215 | |
| 95 | G | A | -0.4128 | |
| 96 | I | A | -0.2598 | |
| 97 | R | A | -1.1410 | |
| 98 | N | A | -1.8304 | |
| 99 | A | A | 0.0000 | |
| 100 | T | A | -1.0793 | |
| 101 | H | A | -0.9095 | |
| 102 | F | A | 0.1704 | |
| 103 | P | A | -0.5575 | |
| 104 | P | A | -1.2542 | |
| 105 | V | A | 0.0000 | |
| 106 | C | A | 0.0000 | |
| 107 | P | A | 0.0000 | |
| 108 | Q | A | 0.0000 | |
| 109 | N | A | -1.0862 | |
| 110 | I | A | -0.3622 | |
| 111 | H | A | -1.1986 | |
| 112 | T | A | -1.2201 | |
| 113 | A | A | -0.7652 | |
| 114 | V | A | -0.6562 | |
| 115 | P | A | -1.0570 | |
| 116 | E | A | -1.6372 | |
| 117 | V | A | 0.0000 | |
| 118 | M | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | P | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | W | A | 0.0000 | |
| 123 | F | A | 0.0000 | |
| 124 | T | A | -0.3652 | |
| 125 | A | A | -0.1197 | |
| 126 | N | A | 0.0000 | |
| 127 | L | A | -0.2605 | |
| 128 | D | A | -1.4878 | |
| 129 | I | A | -0.6566 | |
| 130 | V | A | 0.0000 | |
| 131 | A | A | -0.6165 | |
| 132 | T | A | -0.6573 | |
| 133 | Y | A | -0.3162 | |
| 134 | I | A | 0.0000 | |
| 135 | Q | A | -2.1369 | |
| 136 | E | A | -2.6476 | |
| 137 | P | A | -2.1012 | |
| 138 | N | A | -2.0376 | |
| 139 | E | A | -1.0636 | |
| 140 | D | A | -0.9446 | |
| 141 | C | A | 0.0000 | |
| 142 | L | A | 0.0000 | |
| 143 | Y | A | 0.1038 | |
| 144 | L | A | 0.0000 | |
| 145 | N | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | Y | A | 0.0000 | |
| 148 | V | A | -0.3206 | |
| 149 | P | A | 0.0000 | |
| 150 | T | A | 0.0000 | |
| 151 | E | A | -3.0130 | |
| 152 | D | A | -2.3272 | |
| 153 | V | A | -1.6972 | |
| 154 | K | A | -3.7099 | |
| 155 | R | A | -3.4448 | |
| 156 | I | A | -1.4729 | |
| 157 | S | A | -2.1593 | |
| 158 | K | A | -3.5605 | |
| 159 | E | A | -3.1859 | |
| 160 | C | A | -2.6594 | |
| 161 | A | A | -2.3339 | |
| 162 | R | A | -3.5747 | |
| 163 | K | A | -3.7337 | |
| 164 | P | A | -2.9868 | |
| 165 | N | A | -3.4145 | |
| 166 | K | A | -3.0532 | |
| 167 | K | A | -2.6946 | |
| 168 | I | A | -0.7149 | |
| 169 | C | A | -1.8771 | |
| 170 | R | A | -3.4339 | |
| 171 | K | A | -3.0451 | |
| 172 | G | A | -2.1833 | |
| 173 | G | A | -1.6618 | |
| 174 | S | A | -0.9460 | |
| 175 | G | A | -0.9718 | |
| 176 | A | A | -1.3714 | |
| 177 | K | A | -2.8729 | |
| 178 | K | A | -3.2257 | |
| 179 | Q | A | -2.9890 | |
| 180 | G | A | -2.6207 | |
| 181 | E | A | -2.8751 | |
| 182 | D | A | -1.9979 | |
| 183 | L | A | 0.0053 | |
| 184 | A | A | -0.8892 | |
| 185 | D | A | -2.6262 | |
| 186 | N | A | -3.4279 | |
| 187 | D | A | -3.7190 | |
| 188 | G | A | -3.4189 | |
| 189 | D | A | -4.1977 | |
| 190 | E | A | -4.6529 | |
| 191 | D | A | -4.3783 | |
| 192 | E | A | -4.2852 | |
| 193 | D | A | -3.7228 | |
| 194 | I | A | -1.5935 | |
| 195 | R | A | -3.3961 | |
| 196 | D | A | -3.0952 | |
| 197 | S | A | -1.9712 | |
| 198 | G | A | -1.3569 | |
| 199 | A | A | -0.7733 | |
| 200 | K | A | -1.1987 | |
| 201 | P | A | 0.0000 | |
| 202 | V | A | 0.0000 | |
| 203 | M | A | 0.0000 | |
| 204 | V | A | 0.0000 | |
| 205 | Y | A | 0.0000 | |
| 206 | I | A | 0.0000 | |
| 207 | H | A | 0.0000 | |
| 208 | G | A | -0.0545 | |
| 209 | G | A | 0.0000 | |
| 210 | S | A | 0.0000 | |
| 211 | Y | A | 0.0000 | |
| 212 | M | A | 0.2451 | |
| 213 | E | A | 0.0000 | |
| 214 | G | A | 0.0000 | |
| 215 | T | A | 0.0000 | |
| 216 | G | A | 0.0000 | |
| 217 | N | A | 0.0000 | |
| 218 | M | A | 0.0000 | |
| 219 | I | A | 0.0000 | |
| 220 | D | A | -1.5532 | |
| 221 | G | A | 0.0000 | |
| 222 | S | A | 0.0000 | |
| 223 | V | A | 0.0000 | |
| 224 | L | A | 0.0000 | |
| 225 | A | A | 0.0000 | |
| 226 | S | A | 0.0396 | |
| 227 | Y | A | 0.3866 | |
| 228 | G | A | 0.0000 | |
| 229 | N | A | -0.8537 | |
| 230 | V | A | 0.0000 | |
| 231 | I | A | 0.0000 | |
| 232 | V | A | 0.0000 | |
| 233 | I | A | 0.0000 | |
| 234 | T | A | 0.0000 | |
| 235 | L | A | 0.0000 | |
| 236 | N | A | 0.0000 | |
| 237 | Y | A | 0.0000 | |
| 238 | R | A | 0.0000 | |
| 239 | V | A | 0.0000 | |
| 240 | G | A | 0.0000 | |
| 241 | V | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | G | A | 0.0000 | |
| 244 | F | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | S | A | 0.0000 | |
| 247 | T | A | 0.0000 | |
| 248 | G | A | -0.9489 | |
| 249 | D | A | -1.6504 | |
| 250 | Q | A | -1.7595 | |
| 251 | A | A | -0.9518 | |
| 252 | A | A | 0.0000 | |
| 253 | K | A | -1.4004 | |
| 254 | G | A | 0.0000 | |
| 255 | N | A | 0.0000 | |
| 256 | Y | A | 0.0000 | |
| 257 | G | A | 0.0000 | |
| 258 | L | A | 0.0000 | |
| 259 | L | A | 0.0000 | |
| 260 | D | A | 0.0000 | |
| 261 | Q | A | 0.0000 | |
| 262 | I | A | 0.0000 | |
| 263 | Q | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | L | A | 0.0000 | |
| 266 | R | A | -2.2712 | |
| 267 | W | A | 0.0000 | |
| 268 | V | A | 0.0000 | |
| 269 | S | A | -1.6646 | |
| 270 | E | A | -1.7587 | |
| 271 | N | A | 0.0000 | |
| 272 | I | A | 0.0000 | |
| 273 | A | A | 0.1897 | |
| 274 | F | A | 0.5180 | |
| 275 | F | A | 0.0000 | |
| 276 | G | A | 0.0315 | |
| 277 | G | A | 0.0000 | |
| 278 | D | A | 0.0000 | |
| 279 | P | A | -1.6192 | |
| 280 | R | A | -2.2054 | |
| 281 | R | A | -1.4830 | |
| 282 | I | A | 0.0000 | |
| 283 | T | A | 0.0000 | |
| 284 | V | A | 0.0000 | |
| 285 | F | A | 0.0000 | |
| 286 | G | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | G | A | 0.0000 | |
| 289 | I | A | 0.0000 | |
| 290 | G | A | 0.0000 | |
| 291 | A | A | 0.0000 | |
| 292 | S | A | 0.0000 | |
| 293 | C | A | 0.0000 | |
| 294 | V | A | 0.0000 | |
| 295 | S | A | 0.0000 | |
| 296 | L | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | T | A | 0.0000 | |
| 299 | L | A | 0.0000 | |
| 300 | S | A | 0.0000 | |
| 301 | H | A | -2.2466 | |
| 302 | H | A | -1.7513 | |
| 303 | S | A | 0.0000 | |
| 304 | E | A | -2.8267 | |
| 305 | G | A | -2.1521 | |
| 306 | L | A | -1.7064 | |
| 307 | F | A | 0.0000 | |
| 308 | Q | A | -1.4020 | |
| 309 | R | A | 0.0000 | |
| 310 | A | A | 0.0000 | |
| 311 | I | A | 0.0000 | |
| 312 | I | A | 0.0000 | |
| 313 | Q | A | 0.0000 | |
| 314 | S | A | 0.0000 | |
| 315 | G | A | 0.0000 | |
| 316 | S | A | 0.0000 | |
| 317 | A | A | 0.0000 | |
| 318 | L | A | -0.1830 | |
| 319 | S | A | 0.0000 | |
| 320 | S | A | 0.0046 | |
| 321 | W | A | 0.0000 | |
| 322 | A | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | N | A | 0.0000 | |
| 325 | Y | A | 0.9288 | |
| 326 | Q | A | -0.3508 | |
| 327 | P | A | 0.1880 | |
| 328 | V | A | 0.8186 | |
| 329 | K | A | -0.3972 | |
| 330 | Y | A | 0.0000 | |
| 331 | T | A | 0.0000 | |
| 332 | S | A | -0.4248 | |
| 333 | L | A | -0.9633 | |
| 334 | L | A | 0.0000 | |
| 335 | A | A | 0.0000 | |
| 336 | D | A | -2.7912 | |
| 337 | K | A | -2.6520 | |
| 338 | V | A | 0.0000 | |
| 339 | G | A | -1.7228 | |
| 340 | C | A | 0.0000 | |
| 341 | N | A | -1.9681 | |
| 342 | V | A | -0.2710 | |
| 343 | L | A | 0.8271 | |
| 344 | D | A | -0.4691 | |
| 345 | T | A | -0.3778 | |
| 346 | V | A | 0.1184 | |
| 347 | D | A | -1.5721 | |
| 348 | M | A | -0.8806 | |
| 349 | V | A | 0.0000 | |
| 350 | D | A | -2.2394 | |
| 351 | C | A | -1.4355 | |
| 352 | L | A | 0.0000 | |
| 353 | R | A | -2.0530 | |
| 354 | Q | A | -2.1040 | |
| 355 | K | A | -1.6905 | |
| 356 | S | A | -1.4764 | |
| 357 | A | A | 0.0000 | |
| 358 | K | A | -2.7738 | |
| 359 | E | A | -2.3288 | |
| 360 | L | A | 0.0000 | |
| 361 | V | A | -1.7659 | |
| 362 | E | A | -3.0032 | |
| 363 | Q | A | -2.4142 | |
| 364 | D | A | -2.3380 | |
| 365 | I | A | 0.0000 | |
| 366 | Q | A | -1.4076 | |
| 367 | P | A | -1.1702 | |
| 368 | A | A | -0.9356 | |
| 369 | R | A | -1.4094 | |
| 370 | Y | A | 0.0000 | |
| 371 | H | A | -0.6614 | |
| 372 | V | A | 0.0000 | |
| 373 | A | A | 0.0000 | |
| 374 | F | A | 0.0000 | |
| 375 | G | A | 0.0000 | |
| 376 | P | A | 0.0000 | |
| 377 | V | A | 0.0000 | |
| 378 | I | A | -0.0334 | |
| 379 | D | A | -1.3314 | |
| 380 | G | A | -1.2825 | |
| 381 | D | A | -1.4229 | |
| 382 | V | A | 0.0000 | |
| 383 | I | A | 0.0000 | |
| 384 | P | A | -1.1370 | |
| 385 | D | A | -1.3979 | |
| 386 | D | A | -0.8194 | |
| 387 | P | A | 0.0000 | |
| 388 | E | A | -1.4750 | |
| 389 | I | A | -0.5495 | |
| 390 | L | A | 0.0000 | |
| 391 | M | A | 0.0000 | |
| 392 | E | A | -2.5623 | |
| 393 | Q | A | -2.2686 | |
| 394 | G | A | -1.8579 | |
| 395 | E | A | -2.6868 | |
| 396 | F | A | 0.0000 | |
| 397 | L | A | -0.9728 | |
| 398 | N | A | -1.8389 | |
| 399 | Y | A | 0.0000 | |
| 400 | D | A | -0.5830 | |
| 401 | I | A | 0.0000 | |
| 402 | M | A | 0.0000 | |
| 403 | L | A | 0.0000 | |
| 404 | G | A | 0.0000 | |
| 405 | V | A | 0.0000 | |
| 406 | N | A | 0.0000 | |
| 407 | Q | A | 0.0000 | |
| 408 | G | A | 0.0000 | |
| 409 | E | A | 0.0000 | |
| 410 | G | A | 0.0000 | |
| 411 | L | A | 0.0000 | |
| 412 | K | A | -1.2675 | |
| 413 | F | A | 0.0000 | |
| 414 | V | A | 0.0000 | |
| 415 | E | A | -2.0934 | |
| 416 | G | A | -1.3017 | |
| 417 | V | A | -0.6555 | |
| 418 | V | A | -1.3787 | |
| 419 | D | A | -1.8984 | |
| 420 | P | A | -1.6520 | |
| 421 | E | A | -2.7231 | |
| 422 | D | A | -2.4387 | |
| 423 | G | A | 0.0000 | |
| 424 | V | A | 0.0000 | |
| 425 | S | A | -0.9484 | |
| 426 | G | A | -1.2073 | |
| 427 | T | A | -0.4434 | |
| 428 | D | A | -0.5065 | |
| 429 | F | A | 0.0000 | |
| 430 | D | A | -1.0163 | |
| 431 | Y | A | 0.4773 | |
| 432 | S | A | 0.0000 | |
| 433 | V | A | 0.0000 | |
| 434 | S | A | -0.7639 | |
| 435 | N | A | -0.4748 | |
| 436 | F | A | 0.0000 | |
| 437 | V | A | 0.0000 | |
| 438 | D | A | -0.3146 | |
| 439 | N | A | -0.6440 | |
| 440 | L | A | -0.1428 | |
| 441 | Y | A | 0.4164 | |
| 442 | G | A | 0.1397 | |
| 443 | Y | A | 0.6496 | |
| 444 | P | A | -0.6753 | |
| 445 | E | A | -2.0634 | |
| 446 | G | A | -1.4303 | |
| 447 | K | A | 0.0000 | |
| 448 | D | A | -2.7901 | |
| 449 | T | A | -1.6801 | |
| 450 | L | A | 0.0000 | |
| 451 | R | A | -1.7219 | |
| 452 | E | A | -2.0377 | |
| 453 | T | A | -0.4601 | |
| 454 | I | A | 0.0000 | |
| 455 | K | A | -0.2188 | |
| 456 | F | A | 1.4072 | |
| 457 | M | A | 0.9077 | |
| 458 | Y | A | 0.0000 | |
| 459 | T | A | 0.0059 | |
| 460 | D | A | 0.0000 | |
| 461 | W | A | -0.0297 | |
| 462 | A | A | -0.7119 | |
| 463 | D | A | -2.1486 | |
| 464 | R | A | -3.2059 | |
| 465 | D | A | -3.3078 | |
| 466 | N | A | -2.6102 | |
| 467 | P | A | -2.3843 | |
| 468 | E | A | -2.4672 | |
| 469 | T | A | 0.0000 | |
| 470 | R | A | -1.7584 | |
| 471 | R | A | 0.0000 | |
| 472 | K | A | -0.7930 | |
| 473 | T | A | 0.0000 | |
| 474 | L | A | 0.0000 | |
| 475 | V | A | -0.3225 | |
| 476 | A | A | 0.0000 | |
| 477 | L | A | 0.0000 | |
| 478 | F | A | 0.0000 | |
| 479 | T | A | 0.0000 | |
| 480 | D | A | 0.0000 | |
| 481 | H | A | -0.3042 | |
| 482 | Q | A | 0.0000 | |
| 483 | W | A | 0.0000 | |
| 484 | V | A | 0.0000 | |
| 485 | E | A | -0.4486 | |
| 486 | P | A | 0.0000 | |
| 487 | S | A | 0.0000 | |
| 488 | V | A | 0.0000 | |
| 489 | V | A | 0.0000 | |
| 490 | T | A | 0.0000 | |
| 491 | A | A | 0.0000 | |
| 492 | D | A | -0.9113 | |
| 493 | L | A | 0.0000 | |
| 494 | H | A | 0.0000 | |
| 495 | A | A | -1.2146 | |
| 496 | R | A | -1.9275 | |
| 497 | Y | A | -0.0998 | |
| 498 | G | A | -0.4746 | |
| 499 | S | A | -0.6526 | |
| 500 | P | A | -0.6325 | |
| 501 | T | A | 0.0000 | |
| 502 | Y | A | 0.0000 | |
| 503 | F | A | 0.0000 | |
| 504 | Y | A | 0.0000 | |
| 505 | A | A | 0.0000 | |
| 506 | F | A | 0.0000 | |
| 507 | Y | A | -0.2952 | |
| 508 | H | A | -0.5915 | |
| 509 | H | A | -0.6891 | |
| 510 | C | A | 0.0000 | |
| 511 | Q | A | -1.2963 | |
| 512 | S | A | -0.1207 | |
| 513 | L | A | 1.2402 | |
| 514 | M | A | 0.8669 | |
| 515 | K | A | 0.0000 | |
| 516 | P | A | -0.2337 | |
| 517 | A | A | -0.0735 | |
| 518 | W | A | -0.6189 | |
| 519 | S | A | 0.0000 | |
| 520 | D | A | -0.9773 | |
| 521 | A | A | 0.0000 | |
| 522 | A | A | 0.0000 | |
| 523 | H | A | 0.0000 | |
| 524 | G | A | 0.0000 | |
| 525 | D | A | 0.0000 | |
| 526 | E | A | 0.0000 | |
| 527 | V | A | 0.0000 | |
| 528 | P | A | 0.0000 | |
| 529 | Y | A | 0.0000 | |
| 530 | V | A | 0.0000 | |
| 531 | F | A | 0.0000 | |
| 532 | G | A | 0.0000 | |
| 533 | V | A | 0.2814 | |
| 534 | P | A | 0.0000 | |
| 535 | M | A | 0.0000 | |
| 536 | V | A | 1.0236 | |
| 537 | G | A | 0.1593 | |
| 538 | P | A | -0.7476 | |
| 539 | T | A | -1.0175 | |
| 540 | D | A | -2.0091 | |
| 541 | L | A | 0.0000 | |
| 542 | F | A | 0.0000 | |
| 543 | P | A | -0.9867 | |
| 544 | C | A | 0.0000 | |
| 545 | N | A | -1.4924 | |
| 546 | F | A | -1.0345 | |
| 547 | S | A | -1.3302 | |
| 548 | K | A | -1.9772 | |
| 549 | N | A | -1.2632 | |
| 550 | D | A | 0.0000 | |
| 551 | V | A | -0.4158 | |
| 552 | M | A | 0.0000 | |
| 553 | L | A | 0.0000 | |
| 554 | S | A | 0.0000 | |
| 555 | A | A | 0.0000 | |
| 556 | V | A | 0.0000 | |
| 557 | V | A | 0.0000 | |
| 558 | M | A | 0.0000 | |
| 559 | T | A | 0.0000 | |
| 560 | Y | A | 0.0000 | |
| 561 | W | A | 0.0000 | |
| 562 | T | A | 0.0000 | |
| 563 | N | A | 0.0000 | |
| 564 | F | A | 0.0000 | |
| 565 | A | A | 0.0000 | |
| 566 | K | A | -0.7784 | |
| 567 | T | A | -0.8220 | |
| 568 | G | A | 0.0000 | |
| 569 | D | A | -1.2011 | |
| 570 | P | A | 0.0000 | |
| 571 | N | A | -1.2860 | |
| 572 | K | A | -2.0290 | |
| 573 | P | A | -1.1791 | |
| 574 | V | A | -0.8343 | |
| 575 | P | A | -1.6933 | |
| 576 | Q | A | 0.0000 | |
| 577 | D | A | -2.7941 | |
| 578 | T | A | -1.5834 | |
| 579 | K | A | -0.6487 | |
| 580 | F | A | 1.3453 | |
| 581 | I | A | 0.7512 | |
| 582 | H | A | 0.0000 | |
| 583 | T | A | -0.4861 | |
| 584 | K | A | -1.2642 | |
| 585 | A | A | -1.2749 | |
| 586 | N | A | 0.0000 | |
| 587 | R | A | -2.4441 | |
| 588 | F | A | 0.0000 | |
| 589 | E | A | -3.4725 | |
| 590 | E | A | -3.1357 | |
| 591 | V | A | 0.0000 | |
| 592 | A | A | -0.9974 | |
| 593 | W | A | 0.0000 | |
| 594 | S | A | -0.8476 | |
| 595 | K | A | -1.6031 | |
| 596 | Y | A | 0.0000 | |
| 597 | N | A | -1.8177 | |
| 598 | P | A | -1.7862 | |
| 599 | R | A | -2.7654 | |
| 600 | D | A | -2.4121 | |
| 601 | Q | A | -2.1239 | |
| 602 | L | A | -1.6509 | |
| 603 | Y | A | 0.0000 | |
| 604 | L | A | 0.0000 | |
| 605 | H | A | 0.0000 | |
| 606 | I | A | 0.0000 | |
| 607 | G | A | 0.0000 | |
| 608 | L | A | -0.8250 | |
| 609 | K | A | -1.8842 | |
| 610 | P | A | -1.6828 | |
| 611 | R | A | -1.4256 | |
| 612 | V | A | -0.7078 | |
| 613 | R | A | -2.0197 | |
| 614 | D | A | -2.6086 | |
| 615 | H | A | -1.9249 | |
| 616 | Y | A | 0.0000 | |
| 617 | R | A | -1.0889 | |
| 618 | A | A | -0.7856 | |
| 619 | T | A | -0.3986 | |
| 620 | K | A | -0.5632 | |
| 621 | V | A | 0.0000 | |
| 622 | A | A | -0.5193 | |
| 623 | F | A | 0.0000 | |
| 624 | W | A | 0.0000 | |
| 625 | K | A | -1.1248 | |
| 626 | H | A | -1.2472 | |
| 627 | L | A | -0.3074 | |
| 628 | V | A | 0.0000 | |
| 629 | P | A | -0.8732 | |
| 630 | H | A | -1.2602 | |
| 631 | L | A | -0.3921 | |
| 632 | Y | A | -0.3945 | |
| 633 | N | A | -1.3535 | |
| 634 | L | A | -0.4108 | |
| 635 | H | A | -0.8153 | |
| 636 | D | A | -1.1476 | |
| 637 | M | A | 0.5629 | |
| 638 | F | A | 1.4111 | |
| 639 | H | A | 0.0914 | |
| 640 | Y | A | 1.0882 | |
| 641 | T | A | 0.6891 | |
| 642 | S | A | 0.3352 | |
| 643 | T | A | -0.2064 | |
| 644 | T | A | -0.2209 | |
| 645 | T | A | -0.5776 | |
| 646 | K | A | -0.9993 | |
| 647 | V | A | 0.7103 | |
| 648 | P | A | -0.2341 | |
| 649 | P | A | -0.6266 | |
| 650 | P | A | -1.1138 | |
| 651 | D | A | -2.0463 | |
| 652 | T | A | -1.3548 | |
| 653 | T | A | -1.0410 | |
| 654 | H | A | -1.1880 | |
| 655 | S | A | -1.0377 | |
| 656 | S | A | -0.5702 | |
| 657 | H | A | -0.1996 | |
| 658 | I | A | 1.0568 | |
| 659 | T | A | -0.5357 | |
| 660 | R | A | -2.3829 | |
| 661 | R | A | -3.1650 | |
| 662 | P | A | -2.4105 | |
| 663 | N | A | -2.4141 | |
| 664 | G | A | -1.9538 | |
| 665 | K | A | -1.9727 | |
| 666 | T | A | -0.5963 | |
| 667 | W | A | 0.6430 | |
| 668 | S | A | -0.0934 | |
| 669 | T | A | -1.1682 | |
| 670 | K | A | -2.7361 | |
| 671 | R | A | -2.5687 | |
| 672 | P | A | -1.1321 | |
| 673 | A | A | 0.1731 | |
| 674 | I | A | 1.6221 | |
| 675 | S | A | 0.7660 | |
| 676 | P | A | 0.4174 | |
| 677 | A | A | 0.6935 | |
| 678 | Y | A | 0.8735 | |
| 679 | S | A | -0.6435 | |
| 680 | N | A | -2.2180 | |
| 681 | E | A | -3.1159 | |
| 682 | N | A | -2.4420 | |
| 683 | A | A | -1.2095 | |
| 684 | P | A | -0.9995 | |
| 685 | G | A | -0.4168 | |
| 686 | S | A | -0.2734 | |
| 687 | W | A | 0.0733 | |
| 688 | N | A | -1.4002 | |
| 689 | G | A | -1.9756 | |
| 690 | D | A | -3.1719 | |
| 691 | Q | A | -3.0907 | |
| 692 | D | A | -2.8955 | |
| 693 | A | A | -1.3196 | |
| 694 | G | A | -0.5895 | |
| 695 | P | A | 0.6856 | |
| 696 | L | A | 2.3024 | |
| 697 | L | A | 2.4927 | |
| 698 | V | A | 1.9093 | |
| 699 | E | A | -1.0027 | |
| 700 | N | A | -1.6013 | |
| 701 | P | A | -1.5787 | |
| 702 | R | A | -3.0483 | |
| 703 | D | A | -2.8180 | |
| 704 | Y | A | -0.7612 | |
| 705 | S | A | -0.9269 | |
| 706 | T | A | -0.8015 | |
| 707 | E | A | -0.9077 | |
| 708 | L | A | 1.1463 | |
| 709 | S | A | 1.4814 | |
| 710 | V | A | 2.3008 | |
| 711 | T | A | 1.9537 | |
| 712 | I | A | 2.9506 | |
| 713 | A | A | 2.4788 | |
| 714 | V | A | 3.2978 | |
| 715 | G | A | 2.5601 | |
| 716 | A | A | 2.6208 | |
| 717 | S | A | 2.8388 | |
| 718 | L | A | 3.6164 | |
| 719 | L | A | 3.9239 | |
| 720 | F | A | 4.6307 | |
| 721 | L | A | 3.9898 | |
| 722 | N | A | 2.8822 | |
| 723 | V | A | 4.1697 | |
| 724 | L | A | 3.7201 | |
| 725 | A | A | 2.9379 | |
| 726 | F | A | 3.3520 | |
| 727 | A | A | 2.4295 | |
| 728 | A | A | 1.6440 | |
| 729 | L | A | 1.8630 | |
| 730 | Y | A | 1.3849 | |
| 731 | Y | A | 0.1020 | |
| 732 | R | A | -2.0630 | |
| 733 | K | A | -2.9378 | |
| 734 | D | A | -3.7865 | |
| 735 | K | A | -4.6931 | |
| 736 | R | A | -5.2445 | |
| 737 | R | A | -5.1439 | |
| 738 | Q | A | -4.3914 | |
| 739 | E | A | -3.8882 | |
| 740 | P | A | -1.7998 | |
| 741 | L | A | -0.3519 | |
| 742 | R | A | -2.0654 | |
| 743 | Q | A | -1.9410 | |
| 744 | P | A | -1.4118 | |
| 745 | S | A | -1.1783 | |
| 746 | P | A | -1.5136 | |
| 747 | Q | A | -2.3802 | |
| 748 | R | A | -2.7204 | |
| 749 | G | A | -1.7216 | |
| 750 | T | A | -0.9232 | |
| 751 | G | A | -0.6254 | |
| 752 | A | A | -0.6782 | |
| 753 | P | A | -0.8369 | |
| 754 | E | A | -1.1828 | |
| 755 | L | A | 0.2690 | |
| 756 | G | A | -0.1221 | |
| 757 | T | A | -0.0154 | |
| 758 | A | A | -0.8366 | |
| 759 | P | A | -1.5315 | |
| 760 | E | A | -3.3697 | |
| 761 | E | A | -3.4707 | |
| 762 | E | A | -2.4860 | |
| 763 | L | A | 0.3425 | |
| 764 | A | A | 0.5779 | |
| 765 | A | A | 0.8639 | |
| 766 | L | A | 1.3285 | |
| 767 | Q | A | 0.2208 | |
| 768 | L | A | 1.0172 | |
| 769 | G | A | -0.0971 | |
| 770 | P | A | -0.3712 | |
| 771 | T | A | -0.9605 | |
| 772 | H | A | -1.9707 | |
| 773 | H | A | -2.3608 | |
| 774 | E | A | -2.6529 | |
| 775 | C | A | -1.3454 | |
| 776 | E | A | -1.8681 | |
| 777 | A | A | -1.2075 | |
| 778 | G | A | -1.0121 | |
| 779 | P | A | -1.0459 | |
| 780 | P | A | -1.4005 | |
| 781 | H | A | -2.2259 | |
| 782 | D | A | -2.1742 | |
| 783 | T | A | -0.8218 | |
| 784 | L | A | 0.5927 | |
| 785 | R | A | -0.3267 | |
| 786 | L | A | 0.8908 | |
| 787 | T | A | 0.6080 | |
| 788 | A | A | 0.8131 | |
| 789 | L | A | 1.1003 | |
| 790 | P | A | -0.0060 | |
| 791 | D | A | -0.7146 | |
| 792 | Y | A | 0.8535 | |
| 793 | T | A | 0.6188 | |
| 794 | L | A | 1.1225 | |
| 795 | T | A | 0.7288 | |
| 796 | L | A | 0.6548 | |
| 797 | R | A | -1.5356 | |
| 798 | R | A | -1.9775 | |
| 799 | S | A | -1.8757 | |
| 800 | P | A | -1.5611 | |
| 801 | D | A | -2.0628 | |
| 802 | D | A | -2.6408 | |
| 803 | I | A | -0.9104 | |
| 804 | P | A | -0.1518 | |
| 805 | L | A | 0.8975 | |
| 806 | M | A | 1.2765 | |
| 807 | T | A | 0.2807 | |
| 808 | P | A | -0.0761 | |
| 809 | N | A | -0.6731 | |
| 810 | T | A | 0.5190 | |
| 811 | I | A | 2.1624 | |
| 812 | T | A | 1.6495 | |
| 813 | M | A | 2.3291 | |
| 814 | I | A | 2.4334 | |
| 815 | P | A | 0.5994 | |
| 816 | N | A | 0.0297 | |
| 817 | S | A | 1.0834 | |
| 818 | L | A | 2.2330 | |
| 819 | V | A | 2.1317 | |
| 820 | G | A | 1.0578 | |
| 821 | L | A | 1.5901 | |
| 822 | Q | A | -0.0706 | |
| 823 | T | A | 0.0851 | |
| 824 | L | A | 0.8627 | |
| 825 | H | A | -0.0676 | |
| 826 | P | A | 0.0571 | |
| 827 | Y | A | 0.3396 | |
| 828 | N | A | -0.4950 | |
| 829 | T | A | 0.4175 | |
| 830 | F | A | 1.6696 | |
| 831 | A | A | 0.9339 | |
| 832 | A | A | 0.7760 | |
| 833 | G | A | 0.2023 | |
| 834 | F | A | 0.9590 | |
| 835 | N | A | -0.4856 | |
| 836 | S | A | -0.3269 | |
| 837 | T | A | -0.1669 | |
| 838 | G | A | 0.0474 | |
| 839 | L | A | 0.7720 | |
| 840 | P | A | -0.3012 | |
| 841 | N | A | -1.4117 | |
| 842 | S | A | -1.3853 | |
| 843 | H | A | -1.5628 | |
| 844 | S | A | -0.9887 | |
| 845 | T | A | -0.7220 | |
| 846 | T | A | -0.6858 | |
| 847 | R | A | -0.8747 | |
| 848 | V | A | 0.7882 |
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 | -0.0828 | 8.3384 | View | CSV | PDB |
| 4.5 | -0.1488 | 8.3384 | View | CSV | PDB |
| 5.0 | -0.2281 | 8.3384 | View | CSV | PDB |
| 5.5 | -0.3071 | 8.3384 | View | CSV | PDB |
| 6.0 | -0.3731 | 8.3384 | View | CSV | PDB |
| 6.5 | -0.4192 | 8.3384 | View | CSV | PDB |
| 7.0 | -0.4463 | 8.3384 | View | CSV | PDB |
| 7.5 | -0.4611 | 8.3384 | View | CSV | PDB |
| 8.0 | -0.4686 | 8.3384 | View | CSV | PDB |
| 8.5 | -0.4686 | 8.3384 | View | CSV | PDB |
| 9.0 | -0.4584 | 8.3384 | 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