| Chain sequence(s) |
A: MATPGPRDIPLLPGSPRRLSPQAGSRGGQGPKHGQQCLKMPGPRAPGLQGGSNRDPGQPCGGESTRSSSVINNYLDANEPVSLEARLSRMHFHDSQRKVDYVLAYHYRKRGVHLAQGFPGHSLAIVSNGETGKEPHAGGPGDIELGPLDALEEERKEQREEFEHNLMEAGLELEKDLENKSQGSIFVRIHAPWQVLAREAEFLKIKVPTKKEMYEIKAGGSIAKKFSAALQKLSSHLQPRVPEHSNNKMKNLSYPFSREKMYLYNIQEKDTFFDNATRSRIVHEILKRTACSRANNTMGINSLIANNIYEAAYPLHDGEYDSPEDDMNDRKLLYQEWARYGVFYKFQPIDLIRKYFGEKIGLYFAWLGLYTSFLIPSSVIGVIVFLYGCATIEEDIPSREMCDQQNAFTMCPLCDKSCDYWNLSSACGTAQASHLFDNPATVFFSIFMALWATMFLENWKRLQMRLGYFWDLTGIEEEEERAQEHSRPEYETKVREKMLKESNQSAVQKLETNTTECGDEDDEDKLTWKDRFPGYLMNFASILFMIALTFSIVFGVIVYRITTAAALSLNKATRSNVRVTVTATAVIINLVVILILDEIYGAVAKWLTKIEVPKTEQTFEERLILKAFLLKFVNAYSPIFYVAFFKGRFVGRPGSYVYVFDGYRMEECAPGGCLMELCIQLSIIMLGKQLIQNNIFEIGVPKLKKLFRKLKDETEAGETDSAHSKHPEQWDLDYSLEPYTGLTPEYMEMIIQFGFVTLFVASFPLAPVFALLNNVIEVRLDAKKFVTELRRPDAVRTKDIGIWFDILSGIGKFSVISNAFVIAITSDFIPRLVYQYSYSHNGTLHGFVNHTLSFFNVSQLKEGTQPENSQFDQEVQFCRFKDYREPPWAPNPYEFSKQYWFILSARLAFVIIFQNLVMFLSVLVDWMIPDIPTDISDQIKKEKSLLVDFFLKEEHEKLKLMDEPALRSPGGGDRSRSRAASSAPSGQSQLGSMMSSGSQHTNV
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:12)
[INFO] FoldX: Starting FoldX energy minimization (00:00:12)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:44:41)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/3a56892b278fbd4/tmp/folded.pdb (00:44:41)
[INFO] Main: Simulation completed successfully. (01:01:18)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 1.0683 | |
| 2 | A | A | 0.4873 | |
| 3 | T | A | -0.0754 | |
| 4 | P | A | -0.5533 | |
| 5 | G | A | -1.1332 | |
| 6 | P | A | -1.8009 | |
| 7 | R | A | -2.5352 | |
| 8 | D | A | -1.6669 | |
| 9 | I | A | 1.1524 | |
| 10 | P | A | 1.3661 | |
| 11 | L | A | 2.3008 | |
| 12 | L | A | 2.1827 | |
| 13 | P | A | 0.5217 | |
| 14 | G | A | -0.4503 | |
| 15 | S | A | -1.2756 | |
| 16 | P | A | -1.6443 | |
| 17 | R | A | -2.5503 | |
| 18 | R | A | -2.1778 | |
| 19 | L | A | -0.2982 | |
| 20 | S | A | -0.6855 | |
| 21 | P | A | -0.7842 | |
| 22 | Q | A | -1.2826 | |
| 23 | A | A | -1.1062 | |
| 24 | G | A | -1.3546 | |
| 25 | S | A | -1.5585 | |
| 26 | R | A | -2.3697 | |
| 27 | G | A | -2.0228 | |
| 28 | G | A | -1.7611 | |
| 29 | Q | A | -2.0186 | |
| 30 | G | A | -1.7956 | |
| 31 | P | A | -1.7976 | |
| 32 | K | A | -2.7910 | |
| 33 | H | A | -2.5690 | |
| 34 | G | A | -2.2025 | |
| 35 | Q | A | -2.0164 | |
| 36 | Q | A | -1.4781 | |
| 37 | C | A | 0.1998 | |
| 38 | L | A | 0.8273 | |
| 39 | K | A | -0.5265 | |
| 40 | M | A | 0.4842 | |
| 41 | P | A | -0.5330 | |
| 42 | G | A | -1.1126 | |
| 43 | P | A | -1.3222 | |
| 44 | R | A | -2.2130 | |
| 45 | A | A | -1.0251 | |
| 46 | P | A | -0.5708 | |
| 47 | G | A | -0.3856 | |
| 48 | L | A | 0.5779 | |
| 49 | Q | A | -0.8898 | |
| 50 | G | A | -1.0105 | |
| 51 | G | A | -1.3497 | |
| 52 | S | A | -1.7868 | |
| 53 | N | A | -2.7520 | |
| 54 | R | A | -3.5597 | |
| 55 | D | A | -3.3273 | |
| 56 | P | A | -2.0395 | |
| 57 | G | A | -1.5835 | |
| 58 | Q | A | -1.4666 | |
| 59 | P | A | -0.7510 | |
| 60 | C | A | 0.0584 | |
| 61 | G | A | -0.8026 | |
| 62 | G | A | -1.4994 | |
| 63 | E | A | -2.4589 | |
| 64 | S | A | -1.7964 | |
| 65 | T | A | -1.5995 | |
| 66 | R | A | -2.3170 | |
| 67 | S | A | -1.1163 | |
| 68 | S | A | -0.1608 | |
| 69 | S | A | 0.6339 | |
| 70 | V | A | 2.0472 | |
| 71 | I | A | 1.8899 | |
| 72 | N | A | -0.0298 | |
| 73 | N | A | -0.1841 | |
| 74 | Y | A | 0.8390 | |
| 75 | L | A | 0.2904 | |
| 76 | D | A | -1.5291 | |
| 77 | A | A | -1.1406 | |
| 78 | N | A | -2.2786 | |
| 79 | E | A | -2.2335 | |
| 80 | P | A | -0.4296 | |
| 81 | V | A | 0.4045 | |
| 82 | S | A | 0.1760 | |
| 83 | L | A | 0.6972 | |
| 84 | E | A | -1.0852 | |
| 85 | A | A | -1.1860 | |
| 86 | R | A | -1.2760 | |
| 87 | L | A | -0.0137 | |
| 88 | S | A | -0.9859 | |
| 89 | R | A | -1.0101 | |
| 90 | M | A | 0.0000 | |
| 91 | H | A | -1.7537 | |
| 92 | F | A | 0.0000 | |
| 93 | H | A | -2.2253 | |
| 94 | D | A | -2.7940 | |
| 95 | S | A | -2.5954 | |
| 96 | Q | A | -2.5102 | |
| 97 | R | A | -2.3934 | |
| 98 | K | A | -1.7893 | |
| 99 | V | A | 0.0000 | |
| 100 | D | A | 0.0000 | |
| 101 | Y | A | 0.0000 | |
| 102 | V | A | 0.0000 | |
| 103 | L | A | 0.0000 | |
| 104 | A | A | 0.0000 | |
| 105 | Y | A | 0.0000 | |
| 106 | H | A | -2.0311 | |
| 107 | Y | A | -2.6388 | |
| 108 | R | A | -4.0390 | |
| 109 | K | A | -4.4457 | |
| 110 | R | A | -3.1497 | |
| 111 | G | A | -1.3300 | |
| 112 | V | A | 0.8515 | |
| 113 | H | A | 0.0781 | |
| 114 | L | A | 1.2774 | |
| 115 | A | A | 0.0898 | |
| 116 | Q | A | -0.8381 | |
| 117 | G | A | 0.0002 | |
| 118 | F | A | 1.2348 | |
| 119 | P | A | 0.1001 | |
| 120 | G | A | -0.6711 | |
| 121 | H | A | -1.0545 | |
| 122 | S | A | -0.1178 | |
| 123 | L | A | 1.7196 | |
| 124 | A | A | 2.0800 | |
| 125 | I | A | 3.2739 | |
| 126 | V | A | 2.4597 | |
| 127 | S | A | 0.3531 | |
| 128 | N | A | -1.5835 | |
| 129 | G | A | -2.1018 | |
| 130 | E | A | -2.4466 | |
| 131 | T | A | -1.8421 | |
| 132 | G | A | -2.1868 | |
| 133 | K | A | -2.9826 | |
| 134 | E | A | -3.0852 | |
| 135 | P | A | -2.0135 | |
| 136 | H | A | -1.7541 | |
| 137 | A | A | -0.8370 | |
| 138 | G | A | -1.0179 | |
| 139 | G | A | -1.1832 | |
| 140 | P | A | -0.9400 | |
| 141 | G | A | -1.3501 | |
| 142 | D | A | -1.5694 | |
| 143 | I | A | 0.3240 | |
| 144 | E | A | -1.2211 | |
| 145 | L | A | -0.0090 | |
| 146 | G | A | 0.0072 | |
| 147 | P | A | 0.0884 | |
| 148 | L | A | 0.6668 | |
| 149 | D | A | -1.8069 | |
| 150 | A | A | -0.9595 | |
| 151 | L | A | -0.7277 | |
| 152 | E | A | -2.2964 | |
| 153 | E | A | -2.7378 | |
| 154 | E | A | -3.5277 | |
| 155 | R | A | -3.2122 | |
| 156 | K | A | -3.3459 | |
| 157 | E | A | -4.1256 | |
| 158 | Q | A | 0.0000 | |
| 159 | R | A | -2.4819 | |
| 160 | E | A | -3.2202 | |
| 161 | E | A | 0.0000 | |
| 162 | F | A | 0.0000 | |
| 163 | E | A | 0.0000 | |
| 164 | H | A | -1.6516 | |
| 165 | N | A | -1.4236 | |
| 166 | L | A | 0.0000 | |
| 167 | M | A | -0.7740 | |
| 168 | E | A | -1.9360 | |
| 169 | A | A | -0.9878 | |
| 170 | G | A | -0.9638 | |
| 171 | L | A | 0.0000 | |
| 172 | E | A | -0.3485 | |
| 173 | L | A | -0.4763 | |
| 174 | E | A | -0.9751 | |
| 175 | K | A | -0.9227 | |
| 176 | D | A | -1.1514 | |
| 177 | L | A | -1.2644 | |
| 178 | E | A | -3.2138 | |
| 179 | N | A | -3.2653 | |
| 180 | K | A | -3.6995 | |
| 181 | S | A | -3.2204 | |
| 182 | Q | A | -3.3451 | |
| 183 | G | A | -2.3444 | |
| 184 | S | A | -1.5603 | |
| 185 | I | A | 0.0000 | |
| 186 | F | A | 0.0000 | |
| 187 | V | A | 0.0000 | |
| 188 | R | A | 0.0000 | |
| 189 | I | A | 0.0000 | |
| 190 | H | A | 0.0000 | |
| 191 | A | A | 0.0000 | |
| 192 | P | A | -1.0040 | |
| 193 | W | A | -1.1411 | |
| 194 | Q | A | -1.4442 | |
| 195 | V | A | 0.0000 | |
| 196 | L | A | 0.0000 | |
| 197 | A | A | 0.0000 | |
| 198 | R | A | -0.7315 | |
| 199 | E | A | 0.0000 | |
| 200 | A | A | 0.0000 | |
| 201 | E | A | -0.5624 | |
| 202 | F | A | 1.3757 | |
| 203 | L | A | -0.0993 | |
| 204 | K | A | -1.1248 | |
| 205 | I | A | -0.5903 | |
| 206 | K | A | -1.1075 | |
| 207 | V | A | 0.0000 | |
| 208 | P | A | -1.1084 | |
| 209 | T | A | 0.0000 | |
| 210 | K | A | -2.3520 | |
| 211 | K | A | -2.7428 | |
| 212 | E | A | -1.9081 | |
| 213 | M | A | -0.9259 | |
| 214 | Y | A | 0.0000 | |
| 215 | E | A | -2.6378 | |
| 216 | I | A | -1.8771 | |
| 217 | K | A | -2.5825 | |
| 218 | A | A | -1.9117 | |
| 219 | G | A | -1.0826 | |
| 220 | G | A | -0.8763 | |
| 221 | S | A | -0.2241 | |
| 222 | I | A | 1.1104 | |
| 223 | A | A | 0.0499 | |
| 224 | K | A | -1.3920 | |
| 225 | K | A | -1.0291 | |
| 226 | F | A | 0.9428 | |
| 227 | S | A | -0.0513 | |
| 228 | A | A | -0.8567 | |
| 229 | A | A | -0.1514 | |
| 230 | L | A | 0.4365 | |
| 231 | Q | A | -1.2606 | |
| 232 | K | A | -1.2076 | |
| 233 | L | A | 0.4782 | |
| 234 | S | A | -0.3903 | |
| 235 | S | A | -1.1595 | |
| 236 | H | A | -1.3417 | |
| 237 | L | A | -0.2860 | |
| 238 | Q | A | -1.4832 | |
| 239 | P | A | 0.0000 | |
| 240 | R | A | -2.4200 | |
| 241 | V | A | -1.5082 | |
| 242 | P | A | -1.6882 | |
| 243 | E | A | -3.3382 | |
| 244 | H | A | -2.6248 | |
| 245 | S | A | -2.3144 | |
| 246 | N | A | -3.0496 | |
| 247 | N | A | -2.8515 | |
| 248 | K | A | -2.4677 | |
| 249 | M | A | -1.8017 | |
| 250 | K | A | -1.0917 | |
| 251 | N | A | -1.1394 | |
| 252 | L | A | 0.0000 | |
| 253 | S | A | 0.0000 | |
| 254 | Y | A | -0.4345 | |
| 255 | P | A | -0.6945 | |
| 256 | F | A | 0.0000 | |
| 257 | S | A | -1.5918 | |
| 258 | R | A | -2.7384 | |
| 259 | E | A | -2.6717 | |
| 260 | K | A | -1.5144 | |
| 261 | M | A | -0.7387 | |
| 262 | Y | A | -0.0109 | |
| 263 | L | A | 0.0000 | |
| 264 | Y | A | 0.0000 | |
| 265 | N | A | -2.0391 | |
| 266 | I | A | -1.7492 | |
| 267 | Q | A | -2.6886 | |
| 268 | E | A | -3.6040 | |
| 269 | K | A | -3.2755 | |
| 270 | D | A | -3.3374 | |
| 271 | T | A | -2.1048 | |
| 272 | F | A | -1.7501 | |
| 273 | F | A | 0.0000 | |
| 274 | D | A | -1.3389 | |
| 275 | N | A | -1.1638 | |
| 276 | A | A | 0.0000 | |
| 277 | T | A | 0.0000 | |
| 278 | R | A | 0.0000 | |
| 279 | S | A | 0.0000 | |
| 280 | R | A | -0.5866 | |
| 281 | I | A | 0.0000 | |
| 282 | V | A | 0.0000 | |
| 283 | H | A | -0.9779 | |
| 284 | E | A | -1.3521 | |
| 285 | I | A | 0.0000 | |
| 286 | L | A | 0.0000 | |
| 287 | K | A | -1.5959 | |
| 288 | R | A | -1.6544 | |
| 289 | T | A | -0.9889 | |
| 290 | A | A | -0.9313 | |
| 291 | C | A | 0.0000 | |
| 292 | S | A | -1.9024 | |
| 293 | R | A | -3.1263 | |
| 294 | A | A | -2.4885 | |
| 295 | N | A | -2.4582 | |
| 296 | N | A | -2.2408 | |
| 297 | T | A | -1.5412 | |
| 298 | M | A | -0.7942 | |
| 299 | G | A | 0.0000 | |
| 300 | I | A | 0.0000 | |
| 301 | N | A | -1.0860 | |
| 302 | S | A | 0.0000 | |
| 303 | L | A | 0.0000 | |
| 304 | I | A | -0.8903 | |
| 305 | A | A | -1.2196 | |
| 306 | N | A | -1.9702 | |
| 307 | N | A | -2.2577 | |
| 308 | I | A | 0.0000 | |
| 309 | Y | A | 0.0000 | |
| 310 | E | A | -1.8700 | |
| 311 | A | A | -0.8557 | |
| 312 | A | A | -0.3465 | |
| 313 | Y | A | 0.0000 | |
| 314 | P | A | 0.0000 | |
| 315 | L | A | 0.0000 | |
| 316 | H | A | 0.0000 | |
| 317 | D | A | -0.6147 | |
| 318 | G | A | 0.0000 | |
| 319 | E | A | -1.2870 | |
| 320 | Y | A | -0.9204 | |
| 321 | D | A | -2.1205 | |
| 322 | S | A | -1.8612 | |
| 323 | P | A | -1.8820 | |
| 324 | E | A | -2.6714 | |
| 325 | D | A | -2.0466 | |
| 326 | D | A | -2.0908 | |
| 327 | M | A | -0.7912 | |
| 328 | N | A | -1.0206 | |
| 329 | D | A | -1.2969 | |
| 330 | R | A | 0.0000 | |
| 331 | K | A | -1.0734 | |
| 332 | L | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | Y | A | -0.6556 | |
| 335 | Q | A | -0.9163 | |
| 336 | E | A | 0.0000 | |
| 337 | W | A | 0.0000 | |
| 338 | A | A | 0.0000 | |
| 339 | R | A | -0.5395 | |
| 340 | Y | A | 1.2871 | |
| 341 | G | A | 0.3265 | |
| 342 | V | A | 0.0000 | |
| 343 | F | A | 2.8971 | |
| 344 | Y | A | 1.8029 | |
| 345 | K | A | 0.6481 | |
| 346 | F | A | 1.2247 | |
| 347 | Q | A | 0.4780 | |
| 348 | P | A | 0.0000 | |
| 349 | I | A | -0.5216 | |
| 350 | D | A | -2.1540 | |
| 351 | L | A | -1.5473 | |
| 352 | I | A | 0.0000 | |
| 353 | R | A | -1.4103 | |
| 354 | K | A | -1.9504 | |
| 355 | Y | A | 0.0000 | |
| 356 | F | A | 0.0000 | |
| 357 | G | A | 0.0000 | |
| 358 | E | A | 0.0000 | |
| 359 | K | A | -0.6083 | |
| 360 | I | A | 0.0000 | |
| 361 | G | A | 0.0000 | |
| 362 | L | A | 0.0000 | |
| 363 | Y | A | 0.0000 | |
| 364 | F | A | 0.0000 | |
| 365 | A | A | 0.0000 | |
| 366 | W | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | G | A | 0.2339 | |
| 369 | L | A | 0.1772 | |
| 370 | Y | A | 0.0000 | |
| 371 | T | A | 0.7067 | |
| 372 | S | A | 0.5822 | |
| 373 | F | A | 0.7696 | |
| 374 | L | A | 0.0000 | |
| 375 | I | A | 2.2129 | |
| 376 | P | A | 1.4211 | |
| 377 | S | A | 0.0000 | |
| 378 | S | A | 0.0000 | |
| 379 | V | A | 3.0711 | |
| 380 | I | A | 2.6630 | |
| 381 | G | A | 0.0000 | |
| 382 | V | A | 2.9275 | |
| 383 | I | A | 3.6942 | |
| 384 | V | A | 0.0000 | |
| 385 | F | A | 2.4135 | |
| 386 | L | A | 2.9247 | |
| 387 | Y | A | 2.1472 | |
| 388 | G | A | 0.0000 | |
| 389 | C | A | 1.1954 | |
| 390 | A | A | 0.3327 | |
| 391 | T | A | -0.4793 | |
| 392 | I | A | -0.9577 | |
| 393 | E | A | -2.8171 | |
| 394 | E | A | -2.7673 | |
| 395 | D | A | 0.0000 | |
| 396 | I | A | -1.2733 | |
| 397 | P | A | 0.0000 | |
| 398 | S | A | 0.0000 | |
| 399 | R | A | -2.9106 | |
| 400 | E | A | -2.1869 | |
| 401 | M | A | -1.5045 | |
| 402 | C | A | -1.7211 | |
| 403 | D | A | -2.5703 | |
| 404 | Q | A | -2.8329 | |
| 405 | Q | A | -2.6146 | |
| 406 | N | A | -2.6345 | |
| 407 | A | A | -1.4227 | |
| 408 | F | A | -0.9176 | |
| 409 | T | A | -0.2999 | |
| 410 | M | A | 0.0000 | |
| 411 | C | A | 0.0000 | |
| 412 | P | A | 0.0000 | |
| 413 | L | A | 0.7667 | |
| 414 | C | A | 0.0490 | |
| 415 | D | A | -1.3861 | |
| 416 | K | A | -2.4637 | |
| 417 | S | A | -1.0237 | |
| 418 | C | A | -0.7106 | |
| 419 | D | A | -1.1176 | |
| 420 | Y | A | 0.0000 | |
| 421 | W | A | -0.2831 | |
| 422 | N | A | -1.0437 | |
| 423 | L | A | 0.0000 | |
| 424 | S | A | -1.3881 | |
| 425 | S | A | -0.6855 | |
| 426 | A | A | 0.0000 | |
| 427 | C | A | -0.9223 | |
| 428 | G | A | -0.6004 | |
| 429 | T | A | -0.3997 | |
| 430 | A | A | 0.0000 | |
| 431 | Q | A | -0.9682 | |
| 432 | A | A | -0.1819 | |
| 433 | S | A | -0.2240 | |
| 434 | H | A | 0.0000 | |
| 435 | L | A | 0.6547 | |
| 436 | F | A | 0.0000 | |
| 437 | D | A | -0.2437 | |
| 438 | N | A | 0.0000 | |
| 439 | P | A | 0.2647 | |
| 440 | A | A | 0.9546 | |
| 441 | T | A | 0.0000 | |
| 442 | V | A | 1.2417 | |
| 443 | F | A | 2.2270 | |
| 444 | F | A | 0.0000 | |
| 445 | S | A | 0.0000 | |
| 446 | I | A | 1.4744 | |
| 447 | F | A | 1.2076 | |
| 448 | M | A | 0.0000 | |
| 449 | A | A | 0.0000 | |
| 450 | L | A | 0.7704 | |
| 451 | W | A | 0.0000 | |
| 452 | A | A | 0.0000 | |
| 453 | T | A | 0.1112 | |
| 454 | M | A | 0.2396 | |
| 455 | F | A | 0.0000 | |
| 456 | L | A | 0.0000 | |
| 457 | E | A | 0.0000 | |
| 458 | N | A | -0.6424 | |
| 459 | W | A | 0.0000 | |
| 460 | K | A | -1.2941 | |
| 461 | R | A | -1.2562 | |
| 462 | L | A | -0.5900 | |
| 463 | Q | A | -0.9463 | |
| 464 | M | A | -0.8555 | |
| 465 | R | A | -0.8238 | |
| 466 | L | A | 0.0000 | |
| 467 | G | A | 0.0000 | |
| 468 | Y | A | 0.0000 | |
| 469 | F | A | 0.1013 | |
| 470 | W | A | 0.0000 | |
| 471 | D | A | -0.4198 | |
| 472 | L | A | 0.0000 | |
| 473 | T | A | -0.7092 | |
| 474 | G | A | -1.7966 | |
| 475 | I | A | 0.0000 | |
| 476 | E | A | -3.8595 | |
| 477 | E | A | -3.8527 | |
| 478 | E | A | -3.8018 | |
| 479 | E | A | -4.3368 | |
| 480 | E | A | -4.6059 | |
| 481 | R | A | -4.5012 | |
| 482 | A | A | -3.4531 | |
| 483 | Q | A | -4.0647 | |
| 484 | E | A | -3.5527 | |
| 485 | H | A | -2.6487 | |
| 486 | S | A | -1.9706 | |
| 487 | R | A | 0.0000 | |
| 488 | P | A | -1.5837 | |
| 489 | E | A | -2.0625 | |
| 490 | Y | A | -2.1622 | |
| 491 | E | A | -2.8491 | |
| 492 | T | A | -2.2913 | |
| 493 | K | A | -2.0710 | |
| 494 | V | A | -2.5378 | |
| 495 | R | A | -2.4439 | |
| 496 | E | A | -2.6888 | |
| 497 | K | A | -2.7702 | |
| 498 | M | A | -1.7634 | |
| 499 | L | A | -1.0803 | |
| 500 | K | A | -2.9855 | |
| 501 | E | A | -2.8725 | |
| 502 | S | A | -1.8523 | |
| 503 | N | A | -2.5072 | |
| 504 | Q | A | -2.3484 | |
| 505 | S | A | -1.7689 | |
| 506 | A | A | -1.4219 | |
| 507 | V | A | -0.6862 | |
| 508 | Q | A | -2.1711 | |
| 509 | K | A | -2.2946 | |
| 510 | L | A | -0.5051 | |
| 511 | E | A | -2.0391 | |
| 512 | T | A | -1.8111 | |
| 513 | N | A | -2.1788 | |
| 514 | T | A | -1.6231 | |
| 515 | T | A | -1.4124 | |
| 516 | E | A | -1.9761 | |
| 517 | C | A | -1.0785 | |
| 518 | G | A | -2.1294 | |
| 519 | D | A | -4.0381 | |
| 520 | E | A | -4.7574 | |
| 521 | D | A | -5.1476 | |
| 522 | D | A | -5.2633 | |
| 523 | E | A | -5.2162 | |
| 524 | D | A | -4.7102 | |
| 525 | K | A | -3.6769 | |
| 526 | L | A | 0.0000 | |
| 527 | T | A | -1.3936 | |
| 528 | W | A | -0.0219 | |
| 529 | K | A | -1.3567 | |
| 530 | D | A | -1.3246 | |
| 531 | R | A | -0.2704 | |
| 532 | F | A | 0.5640 | |
| 533 | P | A | 0.7002 | |
| 534 | G | A | 0.0000 | |
| 535 | Y | A | 1.8704 | |
| 536 | L | A | 2.6016 | |
| 537 | M | A | 2.2770 | |
| 538 | N | A | 0.0000 | |
| 539 | F | A | 3.4403 | |
| 540 | A | A | 2.7655 | |
| 541 | S | A | 2.3866 | |
| 542 | I | A | 2.6926 | |
| 543 | L | A | 3.3651 | |
| 544 | F | A | 3.3914 | |
| 545 | M | A | 0.0000 | |
| 546 | I | A | 2.0659 | |
| 547 | A | A | 1.9504 | |
| 548 | L | A | 1.8250 | |
| 549 | T | A | 0.0000 | |
| 550 | F | A | 1.8272 | |
| 551 | S | A | 1.0328 | |
| 552 | I | A | 1.1158 | |
| 553 | V | A | 0.0000 | |
| 554 | F | A | 1.4446 | |
| 555 | G | A | 0.6907 | |
| 556 | V | A | 0.0000 | |
| 557 | I | A | 0.8284 | |
| 558 | V | A | 0.9836 | |
| 559 | Y | A | 0.7430 | |
| 560 | R | A | 0.2341 | |
| 561 | I | A | 0.4729 | |
| 562 | T | A | 0.4450 | |
| 563 | T | A | 0.3755 | |
| 564 | A | A | 0.1335 | |
| 565 | A | A | 0.3932 | |
| 566 | A | A | 0.5450 | |
| 567 | L | A | -0.2820 | |
| 568 | S | A | -0.4342 | |
| 569 | L | A | 0.4147 | |
| 570 | N | A | -1.1868 | |
| 571 | K | A | -2.2516 | |
| 572 | A | A | -1.5109 | |
| 573 | T | A | -1.8177 | |
| 574 | R | A | -2.7818 | |
| 575 | S | A | -1.7951 | |
| 576 | N | A | -1.4841 | |
| 577 | V | A | -0.7802 | |
| 578 | R | A | -0.4802 | |
| 579 | V | A | 1.0314 | |
| 580 | T | A | 0.3169 | |
| 581 | V | A | 0.0000 | |
| 582 | T | A | 0.6595 | |
| 583 | A | A | 1.0523 | |
| 584 | T | A | 0.8792 | |
| 585 | A | A | 0.0000 | |
| 586 | V | A | 0.0000 | |
| 587 | I | A | 2.1951 | |
| 588 | I | A | 2.1526 | |
| 589 | N | A | 0.0000 | |
| 590 | L | A | 0.0000 | |
| 591 | V | A | 2.7489 | |
| 592 | V | A | 2.2220 | |
| 593 | I | A | 0.0000 | |
| 594 | L | A | 1.3974 | |
| 595 | I | A | 2.2491 | |
| 596 | L | A | 0.0000 | |
| 597 | D | A | 0.0681 | |
| 598 | E | A | -0.6620 | |
| 599 | I | A | 0.7373 | |
| 600 | Y | A | 0.0000 | |
| 601 | G | A | -0.5492 | |
| 602 | A | A | -0.1433 | |
| 603 | V | A | 0.0469 | |
| 604 | A | A | 0.0000 | |
| 605 | K | A | -0.9593 | |
| 606 | W | A | 0.0214 | |
| 607 | L | A | 0.0000 | |
| 608 | T | A | 0.0000 | |
| 609 | K | A | -1.0052 | |
| 610 | I | A | 0.1821 | |
| 611 | E | A | 0.0000 | |
| 612 | V | A | -0.7580 | |
| 613 | P | A | 0.0000 | |
| 614 | K | A | -2.3788 | |
| 615 | T | A | -2.3028 | |
| 616 | E | A | -3.0351 | |
| 617 | Q | A | -2.9932 | |
| 618 | T | A | -2.1163 | |
| 619 | F | A | 0.0000 | |
| 620 | E | A | -2.4851 | |
| 621 | E | A | -2.2530 | |
| 622 | R | A | -1.5590 | |
| 623 | L | A | -1.1062 | |
| 624 | I | A | 0.0000 | |
| 625 | L | A | 0.2541 | |
| 626 | K | A | 0.0498 | |
| 627 | A | A | 0.0000 | |
| 628 | F | A | 0.6550 | |
| 629 | L | A | 1.0680 | |
| 630 | L | A | 0.0000 | |
| 631 | K | A | 0.1436 | |
| 632 | F | A | 0.5266 | |
| 633 | V | A | 0.7765 | |
| 634 | N | A | 0.0000 | |
| 635 | A | A | 0.0000 | |
| 636 | Y | A | 0.0000 | |
| 637 | S | A | 0.0000 | |
| 638 | P | A | 0.0000 | |
| 639 | I | A | 0.0000 | |
| 640 | F | A | 0.7851 | |
| 641 | Y | A | 1.2266 | |
| 642 | V | A | 0.0000 | |
| 643 | A | A | 0.0000 | |
| 644 | F | A | 1.1062 | |
| 645 | F | A | 1.6413 | |
| 646 | K | A | 0.0000 | |
| 647 | G | A | 0.1087 | |
| 648 | R | A | 0.2148 | |
| 649 | F | A | 1.7711 | |
| 650 | V | A | 0.0000 | |
| 651 | G | A | 0.3507 | |
| 652 | R | A | -0.5051 | |
| 653 | P | A | 0.0000 | |
| 654 | G | A | -1.3845 | |
| 655 | S | A | -0.3788 | |
| 656 | Y | A | 0.8762 | |
| 657 | V | A | 2.1777 | |
| 658 | Y | A | 1.5227 | |
| 659 | V | A | 1.4159 | |
| 660 | F | A | 1.5090 | |
| 661 | D | A | -0.4640 | |
| 662 | G | A | -0.0928 | |
| 663 | Y | A | 0.9476 | |
| 664 | R | A | 0.0000 | |
| 665 | M | A | 1.0386 | |
| 666 | E | A | 0.5209 | |
| 667 | E | A | -0.2089 | |
| 668 | C | A | -0.3276 | |
| 669 | A | A | -0.1074 | |
| 670 | P | A | -0.3257 | |
| 671 | G | A | -0.2378 | |
| 672 | G | A | -0.3363 | |
| 673 | C | A | 0.0000 | |
| 674 | L | A | 0.0000 | |
| 675 | M | A | 0.3340 | |
| 676 | E | A | 0.0000 | |
| 677 | L | A | 0.0000 | |
| 678 | C | A | 0.0000 | |
| 679 | I | A | 0.9652 | |
| 680 | Q | A | 0.0000 | |
| 681 | L | A | 0.0000 | |
| 682 | S | A | 0.6829 | |
| 683 | I | A | 1.1668 | |
| 684 | I | A | 0.0000 | |
| 685 | M | A | 0.0000 | |
| 686 | L | A | 1.3684 | |
| 687 | G | A | 1.2897 | |
| 688 | K | A | 0.0000 | |
| 689 | Q | A | 0.0000 | |
| 690 | L | A | 1.8216 | |
| 691 | I | A | 1.5857 | |
| 692 | Q | A | 0.8656 | |
| 693 | N | A | 0.0000 | |
| 694 | N | A | 0.5205 | |
| 695 | I | A | 1.8723 | |
| 696 | F | A | 1.5370 | |
| 697 | E | A | 0.4972 | |
| 698 | I | A | 0.8984 | |
| 699 | G | A | 0.5931 | |
| 700 | V | A | 0.5343 | |
| 701 | P | A | -0.5826 | |
| 702 | K | A | -1.1677 | |
| 703 | L | A | -0.1374 | |
| 704 | K | A | -1.6518 | |
| 705 | K | A | -2.1701 | |
| 706 | L | A | -0.7508 | |
| 707 | F | A | -0.3520 | |
| 708 | R | A | -2.8139 | |
| 709 | K | A | -3.0985 | |
| 710 | L | A | -1.8331 | |
| 711 | K | A | -3.5868 | |
| 712 | D | A | -4.4154 | |
| 713 | E | A | -4.1145 | |
| 714 | T | A | -3.4765 | |
| 715 | E | A | -4.0900 | |
| 716 | A | A | -3.2856 | |
| 717 | G | A | -2.9557 | |
| 718 | E | A | -3.1825 | |
| 719 | T | A | -2.2618 | |
| 720 | D | A | -2.5434 | |
| 721 | S | A | -1.5538 | |
| 722 | A | A | -1.2338 | |
| 723 | H | A | -1.9215 | |
| 724 | S | A | -1.8118 | |
| 725 | K | A | -2.6903 | |
| 726 | H | A | -2.2438 | |
| 727 | P | A | -1.5575 | |
| 728 | E | A | -1.3918 | |
| 729 | Q | A | 0.0000 | |
| 730 | W | A | 0.0000 | |
| 731 | D | A | -0.8158 | |
| 732 | L | A | -0.2711 | |
| 733 | D | A | 0.0000 | |
| 734 | Y | A | -0.2669 | |
| 735 | S | A | -0.7390 | |
| 736 | L | A | -0.8800 | |
| 737 | E | A | -1.9800 | |
| 738 | P | A | -0.8247 | |
| 739 | Y | A | -0.2986 | |
| 740 | T | A | -0.2564 | |
| 741 | G | A | -0.2752 | |
| 742 | L | A | 0.0000 | |
| 743 | T | A | -0.5150 | |
| 744 | P | A | -0.5054 | |
| 745 | E | A | -0.5087 | |
| 746 | Y | A | 0.0000 | |
| 747 | M | A | 0.0000 | |
| 748 | E | A | -0.4762 | |
| 749 | M | A | 0.0000 | |
| 750 | I | A | 0.0000 | |
| 751 | I | A | 0.0000 | |
| 752 | Q | A | 0.0000 | |
| 753 | F | A | 0.0000 | |
| 754 | G | A | 0.0000 | |
| 755 | F | A | 0.0000 | |
| 756 | V | A | 0.0000 | |
| 757 | T | A | 0.0000 | |
| 758 | L | A | 0.0000 | |
| 759 | F | A | 0.0000 | |
| 760 | V | A | 0.0000 | |
| 761 | A | A | 0.0000 | |
| 762 | S | A | 0.0000 | |
| 763 | F | A | 0.0000 | |
| 764 | P | A | 0.0000 | |
| 765 | L | A | 1.0569 | |
| 766 | A | A | 0.0000 | |
| 767 | P | A | 0.0000 | |
| 768 | V | A | 1.6663 | |
| 769 | F | A | 1.2833 | |
| 770 | A | A | 0.0000 | |
| 771 | L | A | 1.8950 | |
| 772 | L | A | 2.6819 | |
| 773 | N | A | 0.0000 | |
| 774 | N | A | 0.0000 | |
| 775 | V | A | 2.6333 | |
| 776 | I | A | 3.1584 | |
| 777 | E | A | 0.0000 | |
| 778 | V | A | 0.0000 | |
| 779 | R | A | 0.0000 | |
| 780 | L | A | 0.0000 | |
| 781 | D | A | 0.0000 | |
| 782 | A | A | 0.0000 | |
| 783 | K | A | -0.5234 | |
| 784 | K | A | -0.6038 | |
| 785 | F | A | 0.0000 | |
| 786 | V | A | 0.0000 | |
| 787 | T | A | 0.0000 | |
| 788 | E | A | -1.1097 | |
| 789 | L | A | 0.0000 | |
| 790 | R | A | 0.0000 | |
| 791 | R | A | 0.0000 | |
| 792 | P | A | 0.0000 | |
| 793 | D | A | -0.3084 | |
| 794 | A | A | 0.0000 | |
| 795 | V | A | 0.5343 | |
| 796 | R | A | -0.4541 | |
| 797 | T | A | -0.8548 | |
| 798 | K | A | -1.6625 | |
| 799 | D | A | -1.4999 | |
| 800 | I | A | 0.0000 | |
| 801 | G | A | -1.1347 | |
| 802 | I | A | -0.5560 | |
| 803 | W | A | 0.0000 | |
| 804 | F | A | -0.2494 | |
| 805 | D | A | -0.7018 | |
| 806 | I | A | 0.0000 | |
| 807 | L | A | 0.0000 | |
| 808 | S | A | -0.7051 | |
| 809 | G | A | -0.8478 | |
| 810 | I | A | 0.0000 | |
| 811 | G | A | -0.7283 | |
| 812 | K | A | -1.3411 | |
| 813 | F | A | 0.0556 | |
| 814 | S | A | 0.0000 | |
| 815 | V | A | 0.0000 | |
| 816 | I | A | 0.6586 | |
| 817 | S | A | 0.0000 | |
| 818 | N | A | 0.0000 | |
| 819 | A | A | 0.0000 | |
| 820 | F | A | 1.3466 | |
| 821 | V | A | 0.0000 | |
| 822 | I | A | 0.0000 | |
| 823 | A | A | 0.0000 | |
| 824 | I | A | 0.9018 | |
| 825 | T | A | 0.0000 | |
| 826 | S | A | 0.0000 | |
| 827 | D | A | -0.2155 | |
| 828 | F | A | 0.2078 | |
| 829 | I | A | 0.0000 | |
| 830 | P | A | 0.0000 | |
| 831 | R | A | 0.0393 | |
| 832 | L | A | 0.5698 | |
| 833 | V | A | 0.0000 | |
| 834 | Y | A | 0.0000 | |
| 835 | Q | A | -0.1902 | |
| 836 | Y | A | 0.8624 | |
| 837 | S | A | 0.4613 | |
| 838 | Y | A | 0.0749 | |
| 839 | S | A | -0.8263 | |
| 840 | H | A | -1.5887 | |
| 841 | N | A | -1.8684 | |
| 842 | G | A | -1.0121 | |
| 843 | T | A | -0.8549 | |
| 844 | L | A | -0.5297 | |
| 845 | H | A | -1.7217 | |
| 846 | G | A | -1.0777 | |
| 847 | F | A | 0.0000 | |
| 848 | V | A | 0.0000 | |
| 849 | N | A | -1.8773 | |
| 850 | H | A | -1.1983 | |
| 851 | T | A | 0.0000 | |
| 852 | L | A | 0.0000 | |
| 853 | S | A | 0.0000 | |
| 854 | F | A | 0.1784 | |
| 855 | F | A | 0.0000 | |
| 856 | N | A | -0.3701 | |
| 857 | V | A | -1.0141 | |
| 858 | S | A | -1.3973 | |
| 859 | Q | A | -2.0415 | |
| 860 | L | A | 0.0000 | |
| 861 | K | A | -3.2382 | |
| 862 | E | A | -3.3558 | |
| 863 | G | A | -2.6365 | |
| 864 | T | A | 0.0000 | |
| 865 | Q | A | -2.8945 | |
| 866 | P | A | -2.4316 | |
| 867 | E | A | -3.2016 | |
| 868 | N | A | -2.7784 | |
| 869 | S | A | -2.4406 | |
| 870 | Q | A | -2.0150 | |
| 871 | F | A | -1.9600 | |
| 872 | D | A | -2.8721 | |
| 873 | Q | A | -3.0907 | |
| 874 | E | A | -2.8686 | |
| 875 | V | A | -1.5946 | |
| 876 | Q | A | -1.5212 | |
| 877 | F | A | -0.1500 | |
| 878 | C | A | 0.0000 | |
| 879 | R | A | -0.3318 | |
| 880 | F | A | -0.4944 | |
| 881 | K | A | -1.5941 | |
| 882 | D | A | -1.0452 | |
| 883 | Y | A | -0.6393 | |
| 884 | R | A | -1.3601 | |
| 885 | E | A | -1.4049 | |
| 886 | P | A | -0.3344 | |
| 887 | P | A | -0.1449 | |
| 888 | W | A | 0.8079 | |
| 889 | A | A | -0.4138 | |
| 890 | P | A | -0.9061 | |
| 891 | N | A | -1.8193 | |
| 892 | P | A | -1.1487 | |
| 893 | Y | A | 0.0000 | |
| 894 | E | A | -2.2598 | |
| 895 | F | A | -0.6550 | |
| 896 | S | A | -1.0492 | |
| 897 | K | A | -1.3098 | |
| 898 | Q | A | -0.3017 | |
| 899 | Y | A | 0.3340 | |
| 900 | W | A | 1.2533 | |
| 901 | F | A | 0.8751 | |
| 902 | I | A | 0.0000 | |
| 903 | L | A | 1.3187 | |
| 904 | S | A | 1.0016 | |
| 905 | A | A | 1.1245 | |
| 906 | R | A | 0.0000 | |
| 907 | L | A | 2.2622 | |
| 908 | A | A | 1.9122 | |
| 909 | F | A | 1.9001 | |
| 910 | V | A | 0.0000 | |
| 911 | I | A | 3.1754 | |
| 912 | I | A | 2.9878 | |
| 913 | F | A | 0.0000 | |
| 914 | Q | A | 1.0709 | |
| 915 | N | A | 0.9063 | |
| 916 | L | A | 1.8853 | |
| 917 | V | A | 0.0000 | |
| 918 | M | A | 1.5767 | |
| 919 | F | A | 2.7102 | |
| 920 | L | A | 2.1535 | |
| 921 | S | A | 0.0000 | |
| 922 | V | A | 2.9034 | |
| 923 | L | A | 2.3815 | |
| 924 | V | A | 0.0000 | |
| 925 | D | A | 0.6938 | |
| 926 | W | A | 1.6607 | |
| 927 | M | A | 1.5520 | |
| 928 | I | A | 0.4433 | |
| 929 | P | A | -0.5160 | |
| 930 | D | A | -1.6264 | |
| 931 | I | A | -0.6204 | |
| 932 | P | A | 0.0000 | |
| 933 | T | A | -0.9329 | |
| 934 | D | A | -1.4490 | |
| 935 | I | A | 0.0000 | |
| 936 | S | A | -1.4955 | |
| 937 | D | A | -3.0695 | |
| 938 | Q | A | 0.0000 | |
| 939 | I | A | -1.7520 | |
| 940 | K | A | -3.0184 | |
| 941 | K | A | -2.3568 | |
| 942 | E | A | -1.7655 | |
| 943 | K | A | -1.8038 | |
| 944 | S | A | -1.0406 | |
| 945 | L | A | -0.4685 | |
| 946 | L | A | 0.0261 | |
| 947 | V | A | 1.0398 | |
| 948 | D | A | -0.6698 | |
| 949 | F | A | -0.6713 | |
| 950 | F | A | 0.1368 | |
| 951 | L | A | -0.1287 | |
| 952 | K | A | -2.2863 | |
| 953 | E | A | -2.3468 | |
| 954 | E | A | -2.7263 | |
| 955 | H | A | -2.5596 | |
| 956 | E | A | -2.7826 | |
| 957 | K | A | -2.1591 | |
| 958 | L | A | -1.6273 | |
| 959 | K | A | -2.4182 | |
| 960 | L | A | -0.5038 | |
| 961 | M | A | -0.3306 | |
| 962 | D | A | -2.3277 | |
| 963 | E | A | -2.0216 | |
| 964 | P | A | -1.1522 | |
| 965 | A | A | -0.4089 | |
| 966 | L | A | 0.2199 | |
| 967 | R | A | -1.3368 | |
| 968 | S | A | -1.0326 | |
| 969 | P | A | -1.0260 | |
| 970 | G | A | -1.4110 | |
| 971 | G | A | -1.3955 | |
| 972 | G | A | -2.0784 | |
| 973 | D | A | -3.1374 | |
| 974 | R | A | -3.3521 | |
| 975 | S | A | -2.5902 | |
| 976 | R | A | -2.8983 | |
| 977 | S | A | -2.1256 | |
| 978 | R | A | -2.3346 | |
| 979 | A | A | -0.9275 | |
| 980 | A | A | -0.5104 | |
| 981 | S | A | -0.2786 | |
| 982 | S | A | -0.3465 | |
| 983 | A | A | -0.2769 | |
| 984 | P | A | -0.4663 | |
| 985 | S | A | -0.8424 | |
| 986 | G | A | -1.2381 | |
| 987 | Q | A | -1.8126 | |
| 988 | S | A | -1.1745 | |
| 989 | Q | A | -0.8615 | |
| 990 | L | A | 0.6310 | |
| 991 | G | A | 0.1202 | |
| 992 | S | A | 0.6260 | |
| 993 | M | A | 1.3515 | |
| 994 | M | A | 1.3914 | |
| 995 | S | A | 0.3310 | |
| 996 | S | A | -0.4717 | |
| 997 | G | A | -0.9986 | |
| 998 | S | A | -1.4317 | |
| 999 | Q | A | -2.0953 | |
| 1000 | H | A | -1.7998 | |
| 1001 | T | A | -1.0926 | |
| 1002 | N | A | -0.8481 | |
| 1003 | V | A | 1.0354 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.2955 | 6.7836 | View | CSV | PDB |
| 4.5 | -0.3654 | 6.7836 | View | CSV | PDB |
| 5.0 | -0.4535 | 6.7836 | View | CSV | PDB |
| 5.5 | -0.542 | 6.7836 | View | CSV | PDB |
| 6.0 | -0.6115 | 6.7836 | View | CSV | PDB |
| 6.5 | -0.6491 | 6.7836 | View | CSV | PDB |
| 7.0 | -0.6549 | 6.7836 | View | CSV | PDB |
| 7.5 | -0.6386 | 6.7836 | View | CSV | PDB |
| 8.0 | -0.6099 | 6.7835 | View | CSV | PDB |
| 8.5 | -0.5728 | 6.7835 | View | CSV | PDB |
| 9.0 | -0.5274 | 6.7833 | 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