| Chain sequence(s) |
A: MFIASPKTNVQECLMINPVKHNFSHLGFSNAQSTSALGPASNKVPNFVSRGRGKGVPVEQFNTAEECRLAGRQDSVLDSIDGKEFMRLLQKYTASETTEEEFADLRASIPRYSIELAKSDQPKVLYRGISLDDEAASLLLNTSRGYRSREIAHGLIHGLRVVKGVYTATGVASASTVSNVSQGFALVNAKRKKETPVLFVLKAMPAVPALNHSGAKGVTLSESRLPLSAASKSEHEVILDITNRYEITQARRSGEFIVVDMTVLGRSKRGGEFALVETDKWKQLSGAKGSNPGGLFQAPNGVKWYVKTNPSANRLLNEVLASRLYRAAGIDVPDIELASRKGKPALISKLIVGNPKDLDTLAKNSQLKCGFAVDAWLANWDVIGLTGDNVIFNHRNKPVRIDLGGALVFRAQGEHKGNQFGTTPMELVTMLSREDNSSSRAFRKIERNDIREGIAAIEKIPDARIAALCAEHGPGNHSERIELGKRLISRKKWLVDMKQTLPYIHRRKNERGDVVTVKKPTSPSAADTWRDRYATAVFVPHSAVRGSMNNLPFRSFTPPDTMDGWRRFTTRAVNFTEPEFKRSQHLAPASGAIIFEPDGRVWITEPTNHPFGATHAFPKGKQEAGLNLRTNALKEVYEETGLLVEFHGFIGDYDRTTSRTRYYLAKRIDGIPSDMGFESQSVKLANITEAKRLLPNAVDIAILRDAERAYLKGPFK
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] (00:00:00)
[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 globular. Max 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 (00:12:06)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/eda806fa2c69db2/tmp/folded.pdb (00:12:06)
[INFO] Main: Simulation completed successfully. (00:15:32)
|
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 | 2.5007 | |
| 2 | F | A | 3.4146 | |
| 3 | I | A | 3.1635 | |
| 4 | A | A | 1.2891 | |
| 5 | S | A | -0.0655 | |
| 6 | P | A | -1.1116 | |
| 7 | K | A | -1.9950 | |
| 8 | T | A | -1.2737 | |
| 9 | N | A | -1.5468 | |
| 10 | V | A | -0.1729 | |
| 11 | Q | A | -1.1749 | |
| 12 | E | A | -1.0800 | |
| 13 | C | A | 0.7739 | |
| 14 | L | A | 1.5313 | |
| 15 | M | A | 1.3194 | |
| 16 | I | A | 0.2983 | |
| 17 | N | A | -0.6527 | |
| 18 | P | A | -1.0541 | |
| 19 | V | A | -0.7929 | |
| 20 | K | A | -2.0907 | |
| 21 | H | A | -1.6847 | |
| 22 | N | A | -1.6259 | |
| 23 | F | A | -0.0605 | |
| 24 | S | A | -0.3271 | |
| 25 | H | A | -0.1695 | |
| 26 | L | A | 1.3693 | |
| 27 | G | A | 0.8730 | |
| 28 | F | A | 1.5758 | |
| 29 | S | A | 0.0002 | |
| 30 | N | A | -1.1402 | |
| 31 | A | A | -1.2417 | |
| 32 | Q | A | -1.5582 | |
| 33 | S | A | -0.8577 | |
| 34 | T | A | -0.4991 | |
| 35 | S | A | 0.0617 | |
| 36 | A | A | 0.5780 | |
| 37 | L | A | 1.2539 | |
| 38 | G | A | 0.1551 | |
| 39 | P | A | -0.1408 | |
| 40 | A | A | -0.6318 | |
| 41 | S | A | -1.2148 | |
| 42 | N | A | -1.7785 | |
| 43 | K | A | -1.7348 | |
| 44 | V | A | 0.3621 | |
| 45 | P | A | 0.3451 | |
| 46 | N | A | 0.1118 | |
| 47 | F | A | 1.7469 | |
| 48 | V | A | 1.7209 | |
| 49 | S | A | -0.1607 | |
| 50 | R | A | -2.0334 | |
| 51 | G | A | -2.1287 | |
| 52 | R | A | -3.0014 | |
| 53 | G | A | -2.4188 | |
| 54 | K | A | -2.0550 | |
| 55 | G | A | -0.5795 | |
| 56 | V | A | 0.9116 | |
| 57 | P | A | 0.5205 | |
| 58 | V | A | 0.3162 | |
| 59 | E | A | -1.4619 | |
| 60 | Q | A | -1.3604 | |
| 61 | F | A | 0.1646 | |
| 62 | N | A | -1.3668 | |
| 63 | T | A | -1.0085 | |
| 64 | A | A | -1.2153 | |
| 65 | E | A | -2.3168 | |
| 66 | E | A | -1.5196 | |
| 67 | C | A | -1.1054 | |
| 68 | R | A | -2.4078 | |
| 69 | L | A | -1.4079 | |
| 70 | A | A | -1.7803 | |
| 71 | G | A | -2.1832 | |
| 72 | R | A | -2.6379 | |
| 73 | Q | A | -2.4172 | |
| 74 | D | A | -2.3710 | |
| 75 | S | A | -1.3101 | |
| 76 | V | A | 0.4818 | |
| 77 | L | A | 0.2663 | |
| 78 | D | A | -1.1507 | |
| 79 | S | A | -0.2144 | |
| 80 | I | A | 0.6026 | |
| 81 | D | A | -1.0896 | |
| 82 | G | A | -0.4727 | |
| 83 | K | A | -1.4005 | |
| 84 | E | A | -1.5211 | |
| 85 | F | A | 0.8564 | |
| 86 | M | A | 0.1000 | |
| 87 | R | A | -1.3274 | |
| 88 | L | A | 0.5194 | |
| 89 | L | A | 0.4158 | |
| 90 | Q | A | -1.0925 | |
| 91 | K | A | -1.5798 | |
| 92 | Y | A | 0.2836 | |
| 93 | T | A | -0.4000 | |
| 94 | A | A | -1.0922 | |
| 95 | S | A | -1.1682 | |
| 96 | E | A | -2.3758 | |
| 97 | T | A | -1.5507 | |
| 98 | T | A | -2.1484 | |
| 99 | E | A | -3.0385 | |
| 100 | E | A | -3.3749 | |
| 101 | E | A | -2.7566 | |
| 102 | F | A | -0.6801 | |
| 103 | A | A | -1.7847 | |
| 104 | D | A | -2.3516 | |
| 105 | L | A | -0.0057 | |
| 106 | R | A | -1.2491 | |
| 107 | A | A | -0.3205 | |
| 108 | S | A | 0.1711 | |
| 109 | I | A | 1.3533 | |
| 110 | P | A | -0.1815 | |
| 111 | R | A | -0.9131 | |
| 112 | Y | A | 0.6314 | |
| 113 | S | A | 0.7798 | |
| 114 | I | A | 1.7237 | |
| 115 | E | A | -0.1968 | |
| 116 | L | A | 0.6506 | |
| 117 | A | A | -1.0329 | |
| 118 | K | A | -2.6350 | |
| 119 | S | A | -2.0336 | |
| 120 | D | A | -2.8832 | |
| 121 | Q | A | -2.7237 | |
| 122 | P | A | -1.5001 | |
| 123 | K | A | -0.8855 | |
| 124 | V | A | 0.3764 | |
| 125 | L | A | 0.0000 | |
| 126 | Y | A | 0.4760 | |
| 127 | R | A | 0.2668 | |
| 128 | G | A | 0.0000 | |
| 129 | I | A | 0.7032 | |
| 130 | S | A | 0.0000 | |
| 131 | L | A | 0.0000 | |
| 132 | D | A | -2.7319 | |
| 133 | D | A | -3.2352 | |
| 134 | E | A | -2.8330 | |
| 135 | A | A | 0.0000 | |
| 136 | A | A | 0.0000 | |
| 137 | S | A | -1.5174 | |
| 138 | L | A | -0.4112 | |
| 139 | L | A | 0.0000 | |
| 140 | L | A | -0.7706 | |
| 141 | N | A | -1.4071 | |
| 142 | T | A | -1.1120 | |
| 143 | S | A | -1.7313 | |
| 144 | R | A | -2.7413 | |
| 145 | G | A | -1.5692 | |
| 146 | Y | A | -1.1294 | |
| 147 | R | A | -2.4450 | |
| 148 | S | A | 0.0000 | |
| 149 | R | A | -1.8188 | |
| 150 | E | A | -1.4771 | |
| 151 | I | A | 0.0000 | |
| 152 | A | A | 0.0000 | |
| 153 | H | A | -0.6226 | |
| 154 | G | A | -0.6837 | |
| 155 | L | A | 0.0000 | |
| 156 | I | A | 0.0000 | |
| 157 | H | A | 0.0000 | |
| 158 | G | A | -0.5758 | |
| 159 | L | A | -0.6504 | |
| 160 | R | A | -1.2618 | |
| 161 | V | A | 0.3113 | |
| 162 | V | A | 0.1770 | |
| 163 | K | A | -1.2390 | |
| 164 | G | A | -0.5480 | |
| 165 | V | A | 0.4526 | |
| 166 | Y | A | 0.5867 | |
| 167 | T | A | 0.2669 | |
| 168 | A | A | 0.0000 | |
| 169 | T | A | -0.6324 | |
| 170 | G | A | -0.6106 | |
| 171 | V | A | 0.2854 | |
| 172 | A | A | 0.0000 | |
| 173 | S | A | -0.1637 | |
| 174 | A | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | T | A | 0.3627 | |
| 177 | V | A | 1.1331 | |
| 178 | S | A | 0.4228 | |
| 179 | N | A | -0.0996 | |
| 180 | V | A | 1.5489 | |
| 181 | S | A | 0.0000 | |
| 182 | Q | A | 0.5933 | |
| 183 | G | A | 1.0809 | |
| 184 | F | A | 2.0282 | |
| 185 | A | A | 0.0000 | |
| 186 | L | A | 0.2255 | |
| 187 | V | A | 0.7295 | |
| 188 | N | A | -0.8012 | |
| 189 | A | A | 0.0000 | |
| 190 | K | A | -3.1381 | |
| 191 | R | A | -3.5587 | |
| 192 | K | A | -3.8744 | |
| 193 | K | A | -3.9349 | |
| 194 | E | A | -3.2291 | |
| 195 | T | A | -2.1594 | |
| 196 | P | A | -0.9166 | |
| 197 | V | A | 0.0000 | |
| 198 | L | A | 0.0000 | |
| 199 | F | A | 0.0000 | |
| 200 | V | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | K | A | -0.4490 | |
| 203 | A | A | -0.3122 | |
| 204 | M | A | -0.4133 | |
| 205 | P | A | -1.2948 | |
| 206 | A | A | -0.9087 | |
| 207 | V | A | -0.2198 | |
| 208 | P | A | -0.6398 | |
| 209 | A | A | -0.7373 | |
| 210 | L | A | 0.7425 | |
| 211 | N | A | -0.9717 | |
| 212 | H | A | -1.6155 | |
| 213 | S | A | -1.2848 | |
| 214 | G | A | -1.6208 | |
| 215 | A | A | -1.5060 | |
| 216 | K | A | -2.1364 | |
| 217 | G | A | -1.1504 | |
| 218 | V | A | 0.1486 | |
| 219 | T | A | 0.6042 | |
| 220 | L | A | 0.3108 | |
| 221 | S | A | -0.8599 | |
| 222 | E | A | -2.5808 | |
| 223 | S | A | -2.0296 | |
| 224 | R | A | -1.7408 | |
| 225 | L | A | 0.3773 | |
| 226 | P | A | 0.7332 | |
| 227 | L | A | 1.1928 | |
| 228 | S | A | 0.5279 | |
| 229 | A | A | 0.0395 | |
| 230 | A | A | -0.2882 | |
| 231 | S | A | -0.8663 | |
| 232 | K | A | -1.9698 | |
| 233 | S | A | -1.6345 | |
| 234 | E | A | -1.8276 | |
| 235 | H | A | -2.2340 | |
| 236 | E | A | -1.6429 | |
| 237 | V | A | 0.0000 | |
| 238 | I | A | 0.1854 | |
| 239 | L | A | 0.0000 | |
| 240 | D | A | -0.4371 | |
| 241 | I | A | 0.0377 | |
| 242 | T | A | -0.7094 | |
| 243 | N | A | 0.0000 | |
| 244 | R | A | -1.0484 | |
| 245 | Y | A | 0.0000 | |
| 246 | E | A | -1.3312 | |
| 247 | I | A | 0.0000 | |
| 248 | T | A | -1.0740 | |
| 249 | Q | A | -1.4542 | |
| 250 | A | A | -1.4049 | |
| 251 | R | A | -1.9727 | |
| 252 | R | A | -2.6844 | |
| 253 | S | A | -1.9166 | |
| 254 | G | A | -1.9465 | |
| 255 | E | A | -2.3813 | |
| 256 | F | A | 0.0000 | |
| 257 | I | A | 0.0000 | |
| 258 | V | A | 0.0000 | |
| 259 | V | A | 0.0000 | |
| 260 | D | A | 0.0000 | |
| 261 | M | A | 0.0000 | |
| 262 | T | A | -0.2603 | |
| 263 | V | A | 0.0000 | |
| 264 | L | A | -0.2003 | |
| 265 | G | A | -1.2316 | |
| 266 | R | A | -2.6337 | |
| 267 | S | A | -2.3625 | |
| 268 | K | A | -2.9402 | |
| 269 | R | A | -3.3864 | |
| 270 | G | A | -2.4263 | |
| 271 | G | A | -1.5614 | |
| 272 | E | A | -0.6948 | |
| 273 | F | A | 1.2407 | |
| 274 | A | A | 0.8806 | |
| 275 | L | A | 0.5621 | |
| 276 | V | A | -0.0509 | |
| 277 | E | A | -2.5434 | |
| 278 | T | A | 0.0000 | |
| 279 | D | A | -2.8806 | |
| 280 | K | A | -3.1694 | |
| 281 | W | A | 0.0000 | |
| 282 | K | A | -2.7821 | |
| 283 | Q | A | -2.0871 | |
| 284 | L | A | -0.4104 | |
| 285 | S | A | -0.6911 | |
| 286 | G | A | -0.9813 | |
| 287 | A | A | -1.3617 | |
| 288 | K | A | -2.1524 | |
| 289 | G | A | -1.8254 | |
| 290 | S | A | -1.2317 | |
| 291 | N | A | -1.3141 | |
| 292 | P | A | -1.0511 | |
| 293 | G | A | -1.0304 | |
| 294 | G | A | 0.0000 | |
| 295 | L | A | -0.6016 | |
| 296 | F | A | 0.0000 | |
| 297 | Q | A | -1.4770 | |
| 298 | A | A | 0.0000 | |
| 299 | P | A | -1.5107 | |
| 300 | N | A | -1.4414 | |
| 301 | G | A | -1.0184 | |
| 302 | V | A | -0.3355 | |
| 303 | K | A | -0.5073 | |
| 304 | W | A | -0.1031 | |
| 305 | Y | A | -0.1137 | |
| 306 | V | A | 0.0000 | |
| 307 | K | A | -0.6930 | |
| 308 | T | A | -1.0564 | |
| 309 | N | A | -0.9659 | |
| 310 | P | A | -0.8900 | |
| 311 | S | A | -0.7565 | |
| 312 | A | A | -0.7126 | |
| 313 | N | A | -1.0702 | |
| 314 | R | A | -1.2903 | |
| 315 | L | A | 0.0000 | |
| 316 | L | A | -0.5884 | |
| 317 | N | A | 0.0000 | |
| 318 | E | A | 0.0000 | |
| 319 | V | A | 0.0000 | |
| 320 | L | A | 0.0000 | |
| 321 | A | A | 0.0000 | |
| 322 | S | A | 0.0000 | |
| 323 | R | A | -0.7787 | |
| 324 | L | A | 0.0000 | |
| 325 | Y | A | 0.0000 | |
| 326 | R | A | -1.4176 | |
| 327 | A | A | -1.1442 | |
| 328 | A | A | 0.0000 | |
| 329 | G | A | -1.2884 | |
| 330 | I | A | 0.0000 | |
| 331 | D | A | -2.0842 | |
| 332 | V | A | 0.0000 | |
| 333 | P | A | 0.0000 | |
| 334 | D | A | -1.3639 | |
| 335 | I | A | 0.0000 | |
| 336 | E | A | -0.4690 | |
| 337 | L | A | 0.0686 | |
| 338 | A | A | 0.0000 | |
| 339 | S | A | -1.7678 | |
| 340 | R | A | -2.6975 | |
| 341 | K | A | -3.2365 | |
| 342 | G | A | -2.5713 | |
| 343 | K | A | -2.8744 | |
| 344 | P | A | -1.5449 | |
| 345 | A | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | I | A | 0.0000 | |
| 348 | S | A | -0.6488 | |
| 349 | K | A | -0.3262 | |
| 350 | L | A | 0.9435 | |
| 351 | I | A | 1.0740 | |
| 352 | V | A | 1.4186 | |
| 353 | G | A | -0.7859 | |
| 354 | N | A | -1.6146 | |
| 355 | P | A | -1.7449 | |
| 356 | K | A | -2.1839 | |
| 357 | D | A | -2.6826 | |
| 358 | L | A | -2.1803 | |
| 359 | D | A | -3.1303 | |
| 360 | T | A | -2.1177 | |
| 361 | L | A | 0.0000 | |
| 362 | A | A | 0.0000 | |
| 363 | K | A | -2.7025 | |
| 364 | N | A | -2.0512 | |
| 365 | S | A | -1.4982 | |
| 366 | Q | A | -1.7677 | |
| 367 | L | A | 0.0000 | |
| 368 | K | A | -1.4860 | |
| 369 | C | A | -1.3026 | |
| 370 | G | A | 0.0000 | |
| 371 | F | A | 0.0000 | |
| 372 | A | A | 0.0000 | |
| 373 | V | A | 0.0000 | |
| 374 | D | A | 0.0000 | |
| 375 | A | A | 0.0000 | |
| 376 | W | A | 0.0000 | |
| 377 | L | A | 0.0000 | |
| 378 | A | A | 0.0000 | |
| 379 | N | A | 0.0000 | |
| 380 | W | A | -0.1849 | |
| 381 | D | A | -0.7521 | |
| 382 | V | A | 0.0000 | |
| 383 | I | A | 0.0000 | |
| 384 | G | A | 0.0000 | |
| 385 | L | A | 0.9633 | |
| 386 | T | A | -0.2610 | |
| 387 | G | A | 0.0000 | |
| 388 | D | A | -1.4758 | |
| 389 | N | A | 0.0000 | |
| 390 | V | A | 0.0000 | |
| 391 | I | A | 0.0000 | |
| 392 | F | A | 0.0000 | |
| 393 | N | A | -1.8668 | |
| 394 | H | A | -2.4139 | |
| 395 | R | A | -3.4491 | |
| 396 | N | A | -3.4573 | |
| 397 | K | A | -3.2444 | |
| 398 | P | A | 0.0000 | |
| 399 | V | A | 0.0000 | |
| 400 | R | A | 0.0000 | |
| 401 | I | A | -0.8172 | |
| 402 | D | A | -1.9092 | |
| 403 | L | A | 0.0000 | |
| 404 | G | A | -1.1273 | |
| 405 | G | A | 0.0000 | |
| 406 | A | A | 0.0000 | |
| 407 | L | A | 0.0000 | |
| 408 | V | A | -1.0041 | |
| 409 | F | A | 0.0000 | |
| 410 | R | A | -2.1618 | |
| 411 | A | A | -1.7698 | |
| 412 | Q | A | -2.2340 | |
| 413 | G | A | -2.0829 | |
| 414 | E | A | -2.8484 | |
| 415 | H | A | -2.4460 | |
| 416 | K | A | 0.0000 | |
| 417 | G | A | -1.6900 | |
| 418 | N | A | -2.0837 | |
| 419 | Q | A | -1.9335 | |
| 420 | F | A | 0.0000 | |
| 421 | G | A | -0.9506 | |
| 422 | T | A | -0.8692 | |
| 423 | T | A | -0.2657 | |
| 424 | P | A | 0.0000 | |
| 425 | M | A | 0.6630 | |
| 426 | E | A | 0.0000 | |
| 427 | L | A | 0.0000 | |
| 428 | V | A | 1.5013 | |
| 429 | T | A | 0.4020 | |
| 430 | M | A | 0.0000 | |
| 431 | L | A | 0.0000 | |
| 432 | S | A | -1.8658 | |
| 433 | R | A | -4.2321 | |
| 434 | E | A | -4.3215 | |
| 435 | D | A | -3.3827 | |
| 436 | N | A | -2.3700 | |
| 437 | S | A | -1.1890 | |
| 438 | S | A | 0.0000 | |
| 439 | S | A | 0.0000 | |
| 440 | R | A | -2.7295 | |
| 441 | A | A | 0.0000 | |
| 442 | F | A | 0.0000 | |
| 443 | R | A | -2.6058 | |
| 444 | K | A | -2.6726 | |
| 445 | I | A | 0.0000 | |
| 446 | E | A | -1.4781 | |
| 447 | R | A | -1.5523 | |
| 448 | N | A | -2.2502 | |
| 449 | D | A | -2.0379 | |
| 450 | I | A | 0.0000 | |
| 451 | R | A | -2.2724 | |
| 452 | E | A | -2.7425 | |
| 453 | G | A | 0.0000 | |
| 454 | I | A | 0.0000 | |
| 455 | A | A | -1.6846 | |
| 456 | A | A | -1.5811 | |
| 457 | I | A | 0.0000 | |
| 458 | E | A | -2.7738 | |
| 459 | K | A | -2.6439 | |
| 460 | I | A | 0.0000 | |
| 461 | P | A | -2.1621 | |
| 462 | D | A | -3.0608 | |
| 463 | A | A | -1.4914 | |
| 464 | R | A | -2.0335 | |
| 465 | I | A | 0.0000 | |
| 466 | A | A | -1.5241 | |
| 467 | A | A | -1.0552 | |
| 468 | L | A | -0.8236 | |
| 469 | C | A | 0.0000 | |
| 470 | A | A | -1.7542 | |
| 471 | E | A | -2.2450 | |
| 472 | H | A | -1.2753 | |
| 473 | G | A | 0.0000 | |
| 474 | P | A | 0.0000 | |
| 475 | G | A | -1.7047 | |
| 476 | N | A | -2.4527 | |
| 477 | H | A | -2.6009 | |
| 478 | S | A | -2.1904 | |
| 479 | E | A | -3.2347 | |
| 480 | R | A | -2.5838 | |
| 481 | I | A | -1.8963 | |
| 482 | E | A | -2.9714 | |
| 483 | L | A | 0.0000 | |
| 484 | G | A | 0.0000 | |
| 485 | K | A | -2.7607 | |
| 486 | R | A | -1.9055 | |
| 487 | L | A | 0.0000 | |
| 488 | I | A | -1.7089 | |
| 489 | S | A | -1.2211 | |
| 490 | R | A | 0.0000 | |
| 491 | K | A | -1.6305 | |
| 492 | K | A | -2.2597 | |
| 493 | W | A | -0.7651 | |
| 494 | L | A | 0.0000 | |
| 495 | V | A | -1.5809 | |
| 496 | D | A | -2.1840 | |
| 497 | M | A | -1.3723 | |
| 498 | K | A | -2.0388 | |
| 499 | Q | A | -1.8491 | |
| 500 | T | A | -1.1187 | |
| 501 | L | A | 0.0000 | |
| 502 | P | A | -0.5941 | |
| 503 | Y | A | -0.1217 | |
| 504 | I | A | 0.2963 | |
| 505 | H | A | 0.0000 | |
| 506 | R | A | -1.2756 | |
| 507 | R | A | -1.6084 | |
| 508 | K | A | -2.2887 | |
| 509 | N | A | -2.4623 | |
| 510 | E | A | -3.1634 | |
| 511 | R | A | -3.5411 | |
| 512 | G | A | 0.0000 | |
| 513 | D | A | -1.9376 | |
| 514 | V | A | -0.5829 | |
| 515 | V | A | -0.1427 | |
| 516 | T | A | -0.2069 | |
| 517 | V | A | 0.0000 | |
| 518 | K | A | -2.4927 | |
| 519 | K | A | -2.6219 | |
| 520 | P | A | -1.3149 | |
| 521 | T | A | -0.7339 | |
| 522 | S | A | -0.4367 | |
| 523 | P | A | -0.1551 | |
| 524 | S | A | -0.3122 | |
| 525 | A | A | -0.5197 | |
| 526 | A | A | -1.5348 | |
| 527 | D | A | -2.5200 | |
| 528 | T | A | -1.7879 | |
| 529 | W | A | 0.0000 | |
| 530 | R | A | -3.1143 | |
| 531 | D | A | -2.5252 | |
| 532 | R | A | -1.9054 | |
| 533 | Y | A | -0.0245 | |
| 534 | A | A | -0.6816 | |
| 535 | T | A | -0.3851 | |
| 536 | A | A | 0.0000 | |
| 537 | V | A | 0.1373 | |
| 538 | F | A | 0.0000 | |
| 539 | V | A | -0.2296 | |
| 540 | P | A | -0.6964 | |
| 541 | H | A | -1.2999 | |
| 542 | S | A | -0.7246 | |
| 543 | A | A | -0.7570 | |
| 544 | V | A | 0.0000 | |
| 545 | R | A | -2.3542 | |
| 546 | G | A | -1.7699 | |
| 547 | S | A | -1.5884 | |
| 548 | M | A | 0.0000 | |
| 549 | N | A | -1.3089 | |
| 550 | N | A | -1.4405 | |
| 551 | L | A | -0.7444 | |
| 552 | P | A | -1.3182 | |
| 553 | F | A | 0.0000 | |
| 554 | R | A | -2.2837 | |
| 555 | S | A | -1.0657 | |
| 556 | F | A | -0.3813 | |
| 557 | T | A | -0.4550 | |
| 558 | P | A | -0.6843 | |
| 559 | P | A | -1.4575 | |
| 560 | D | A | -2.0028 | |
| 561 | T | A | -1.4438 | |
| 562 | M | A | -1.6715 | |
| 563 | D | A | -2.3989 | |
| 564 | G | A | -1.9518 | |
| 565 | W | A | 0.0000 | |
| 566 | R | A | -2.8688 | |
| 567 | R | A | -2.5694 | |
| 568 | F | A | -1.1418 | |
| 569 | T | A | -0.6654 | |
| 570 | T | A | 0.0000 | |
| 571 | R | A | -0.4180 | |
| 572 | A | A | -0.0008 | |
| 573 | V | A | 0.3276 | |
| 574 | N | A | -0.8120 | |
| 575 | F | A | -0.2926 | |
| 576 | T | A | -0.6056 | |
| 577 | E | A | -0.9397 | |
| 578 | P | A | -1.4422 | |
| 579 | E | A | -2.6431 | |
| 580 | F | A | 0.0000 | |
| 581 | K | A | -3.2208 | |
| 582 | R | A | -3.1782 | |
| 583 | S | A | -2.3905 | |
| 584 | Q | A | -2.2117 | |
| 585 | H | A | -1.7733 | |
| 586 | L | A | -1.6084 | |
| 587 | A | A | -1.3930 | |
| 588 | P | A | -1.9135 | |
| 589 | A | A | 0.0000 | |
| 590 | S | A | 0.0000 | |
| 591 | G | A | 0.0000 | |
| 592 | A | A | 0.0000 | |
| 593 | I | A | 0.0000 | |
| 594 | I | A | 0.0000 | |
| 595 | F | A | 0.0000 | |
| 596 | E | A | 0.0000 | |
| 597 | P | A | -0.9885 | |
| 598 | D | A | -1.1132 | |
| 599 | G | A | -0.3538 | |
| 600 | R | A | 0.0000 | |
| 601 | V | A | 0.0000 | |
| 602 | W | A | 0.0000 | |
| 603 | I | A | 0.0000 | |
| 604 | T | A | 0.0000 | |
| 605 | E | A | 0.0000 | |
| 606 | P | A | -0.7996 | |
| 607 | T | A | -1.2877 | |
| 608 | N | A | -1.4285 | |
| 609 | H | A | -0.7422 | |
| 610 | P | A | 0.2277 | |
| 611 | F | A | 1.5430 | |
| 612 | G | A | 0.2737 | |
| 613 | A | A | 0.0467 | |
| 614 | T | A | -0.1105 | |
| 615 | H | A | -0.5238 | |
| 616 | A | A | -0.2650 | |
| 617 | F | A | 0.0000 | |
| 618 | P | A | 0.0000 | |
| 619 | K | A | -1.0865 | |
| 620 | G | A | -1.6212 | |
| 621 | K | A | -2.3846 | |
| 622 | Q | A | -2.1840 | |
| 623 | E | A | -2.3710 | |
| 624 | A | A | -1.2800 | |
| 625 | G | A | -1.3963 | |
| 626 | L | A | 0.0000 | |
| 627 | N | A | -1.8118 | |
| 628 | L | A | 0.0000 | |
| 629 | R | A | -1.1218 | |
| 630 | T | A | 0.0000 | |
| 631 | N | A | 0.0000 | |
| 632 | A | A | 0.0000 | |
| 633 | L | A | 0.0000 | |
| 634 | K | A | -1.0789 | |
| 635 | E | A | -1.6018 | |
| 636 | V | A | 0.0000 | |
| 637 | Y | A | 0.0000 | |
| 638 | E | A | -1.4966 | |
| 639 | E | A | -1.2704 | |
| 640 | T | A | 0.0000 | |
| 641 | G | A | 0.0000 | |
| 642 | L | A | 0.0000 | |
| 643 | L | A | 0.0537 | |
| 644 | V | A | 0.0000 | |
| 645 | E | A | -0.2137 | |
| 646 | F | A | 0.0000 | |
| 647 | H | A | -0.3131 | |
| 648 | G | A | -0.0545 | |
| 649 | F | A | 0.2509 | |
| 650 | I | A | -0.3543 | |
| 651 | G | A | -0.1294 | |
| 652 | D | A | -1.1678 | |
| 653 | Y | A | -0.9243 | |
| 654 | D | A | -1.9689 | |
| 655 | R | A | -1.1639 | |
| 656 | T | A | -0.7515 | |
| 657 | T | A | -0.8701 | |
| 658 | S | A | -1.4163 | |
| 659 | R | A | -2.0549 | |
| 660 | T | A | 0.0000 | |
| 661 | R | A | 0.0000 | |
| 662 | Y | A | 0.0000 | |
| 663 | Y | A | 0.0000 | |
| 664 | L | A | 0.0000 | |
| 665 | A | A | 0.0000 | |
| 666 | K | A | -0.2629 | |
| 667 | R | A | 0.0000 | |
| 668 | I | A | 0.5839 | |
| 669 | D | A | -0.2797 | |
| 670 | G | A | 0.0000 | |
| 671 | I | A | 0.0000 | |
| 672 | P | A | 0.0000 | |
| 673 | S | A | 0.0000 | |
| 674 | D | A | -0.9384 | |
| 675 | M | A | 0.0000 | |
| 676 | G | A | -1.4344 | |
| 677 | F | A | -1.3176 | |
| 678 | E | A | -1.9678 | |
| 679 | S | A | 0.0000 | |
| 680 | Q | A | 0.0000 | |
| 681 | S | A | 0.0000 | |
| 682 | V | A | 0.0000 | |
| 683 | K | A | 0.0000 | |
| 684 | L | A | 0.0000 | |
| 685 | A | A | 0.0000 | |
| 686 | N | A | -0.4101 | |
| 687 | I | A | -0.5437 | |
| 688 | T | A | -0.6723 | |
| 689 | E | A | -1.0913 | |
| 690 | A | A | 0.0000 | |
| 691 | K | A | -2.0693 | |
| 692 | R | A | -2.4010 | |
| 693 | L | A | -1.2202 | |
| 694 | L | A | 0.0000 | |
| 695 | P | A | -1.3160 | |
| 696 | N | A | -1.0580 | |
| 697 | A | A | -0.0540 | |
| 698 | V | A | 0.0509 | |
| 699 | D | A | 0.0000 | |
| 700 | I | A | -0.4956 | |
| 701 | A | A | -0.4895 | |
| 702 | I | A | 0.0000 | |
| 703 | L | A | 0.0000 | |
| 704 | R | A | -2.5668 | |
| 705 | D | A | -2.0399 | |
| 706 | A | A | 0.0000 | |
| 707 | E | A | -2.0052 | |
| 708 | R | A | -2.6965 | |
| 709 | A | A | -1.5121 | |
| 710 | Y | A | 0.0000 | |
| 711 | L | A | -0.1423 | |
| 712 | K | A | -1.6382 | |
| 713 | G | A | -1.2040 | |
| 714 | P | A | -0.8877 | |
| 715 | F | A | -0.8301 | |
| 716 | K | A | -1.7109 |
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 globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.78 | 6.3255 | View | CSV | PDB |
| 4.5 | -0.8451 | 6.3255 | View | CSV | PDB |
| 5.0 | -0.9223 | 6.3255 | View | CSV | PDB |
| 5.5 | -0.9957 | 6.3255 | View | CSV | PDB |
| 6.0 | -1.0494 | 6.3255 | View | CSV | PDB |
| 6.5 | -1.0727 | 6.3255 | View | CSV | PDB |
| 7.0 | -1.0669 | 6.3255 | View | CSV | PDB |
| 7.5 | -1.0421 | 6.3255 | View | CSV | PDB |
| 8.0 | -1.0069 | 6.3255 | View | CSV | PDB |
| 8.5 | -0.9634 | 6.3255 | View | CSV | PDB |
| 9.0 | -0.9113 | 6.3255 | 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