| Chain sequence(s) | MEKFLFYLFLIGIAVRAQICPKRCVCQILSPNLATLCAKKGLLFVPPNIDRRTVELRLADNFVTNIKRKDFANMTSLVDLTLSRNTISFITPHAFADLRNLRALHLNSNRLTKITNDMFSGLSNLHHLILNNNQLTLISSTAFDDVFALEELDLSYNNLETIPWDAVEKMVSLHTLSLDHNMIDNIPKGTFSHLHKMTRLDVTSNKLQKLPPDPLFQRAQVLATSGIISPSTFALSFGGNPLHCNCELLWLRRLSREDDLETCASPALLTGRYFWSIPEEEFLCEPPLITRHTHEMRVLEGQRATLRCKARGDPEPAIHWISPEGKLISNATRSLVYDNGTLDILITTVKDTGAFTCIASNPAGEATQTMDLHIIKLPHLLNSTNNIHEPDPGSSDISTSTKSGSNASSSNGDTKMSQDKIVVAEASSSTALLKFNFQRNIPGIRMFQIQYNGTYDDTLVYRMIPPTSKTFLVNNLASGTMYDLCVLAIYDDGITSLTATRVVGCIQFTTEQDYVRCHFMQSQFLGGTMIIIIGGIIVASVLVFIIILMIRYKVCNNNGQHKVTKVSNVYSQTNGAQMQGCSVTLPQSMSKQAMGHEENAQCCKVASDSAIQSSETCSSQDSSTTTSALPPTWTSSAPVSQKQKRKTGTKPSAEPQSEAVTNVESQNTNRNNSTALQLASCPPDSVTEGPTSQRAHTKPNALLTNVDQNVQETQRLESI 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 (00:09:59)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/7b74b4c5cd8e83/tmp/folded.pdb (00:09:59)
[INFO] Main: Simulation completed successfully. (00:21:48)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 0.6833 | |
| 2 | E | A | -0.5723 | |
| 3 | K | A | 0.1448 | |
| 4 | F | A | 2.7684 | |
| 5 | L | A | 2.8667 | |
| 6 | F | A | 3.5825 | |
| 7 | Y | A | 4.0412 | |
| 8 | L | A | 3.9983 | |
| 9 | F | A | 4.9644 | |
| 10 | L | A | 4.5955 | |
| 11 | I | A | 3.6489 | |
| 12 | G | A | 3.0173 | |
| 13 | I | A | 3.3612 | |
| 14 | A | A | 2.1830 | |
| 15 | V | A | 1.8567 | |
| 16 | R | A | -0.4585 | |
| 17 | A | A | -0.2522 | |
| 18 | Q | A | -0.6954 | |
| 19 | I | A | -0.0545 | |
| 20 | C | A | -0.0897 | |
| 21 | P | A | 0.0000 | |
| 22 | K | A | -2.3088 | |
| 23 | R | A | -2.6939 | |
| 24 | C | A | -1.1599 | |
| 25 | V | A | 0.5108 | |
| 26 | C | A | 0.5437 | |
| 27 | Q | A | 0.8224 | |
| 28 | I | A | 1.7794 | |
| 29 | L | A | 1.8013 | |
| 30 | S | A | 0.5603 | |
| 31 | P | A | 0.0663 | |
| 32 | N | A | -0.2318 | |
| 33 | L | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | T | A | 0.0000 | |
| 36 | L | A | -0.4722 | |
| 37 | C | A | 0.0000 | |
| 38 | A | A | -1.7990 | |
| 39 | K | A | -2.5591 | |
| 40 | K | A | -1.7303 | |
| 41 | G | A | -0.5977 | |
| 42 | L | A | 0.0000 | |
| 43 | L | A | 2.3416 | |
| 44 | F | A | 1.5789 | |
| 45 | V | A | 0.0000 | |
| 46 | P | A | -0.5566 | |
| 47 | P | A | -0.9904 | |
| 48 | N | A | -1.2986 | |
| 49 | I | A | 0.0000 | |
| 50 | D | A | 0.0000 | |
| 51 | R | A | -1.7761 | |
| 52 | R | A | -2.1219 | |
| 53 | T | A | 0.0000 | |
| 54 | V | A | -0.6414 | |
| 55 | E | A | -1.0333 | |
| 56 | L | A | 0.0000 | |
| 57 | R | A | -1.8113 | |
| 58 | L | A | 0.0000 | |
| 59 | A | A | 0.0000 | |
| 60 | D | A | -1.6549 | |
| 61 | N | A | -0.1385 | |
| 62 | F | A | 1.7955 | |
| 63 | V | A | 0.0000 | |
| 64 | T | A | 0.6173 | |
| 65 | N | A | 0.1769 | |
| 66 | I | A | 0.0000 | |
| 67 | K | A | -1.4705 | |
| 68 | R | A | -1.9547 | |
| 69 | K | A | -2.4356 | |
| 70 | D | A | 0.0000 | |
| 71 | F | A | 0.0000 | |
| 72 | A | A | -1.7444 | |
| 73 | N | A | -2.2168 | |
| 74 | M | A | 0.0000 | |
| 75 | T | A | -1.7431 | |
| 76 | S | A | -1.5952 | |
| 77 | L | A | 0.0000 | |
| 78 | V | A | -1.0151 | |
| 79 | D | A | -1.2096 | |
| 80 | L | A | 0.0000 | |
| 81 | T | A | -1.0653 | |
| 82 | L | A | 0.0000 | |
| 83 | S | A | 0.0000 | |
| 84 | R | A | -2.1094 | |
| 85 | N | A | 0.0000 | |
| 86 | T | A | -0.1733 | |
| 87 | I | A | 0.0000 | |
| 88 | S | A | -0.8995 | |
| 89 | F | A | 0.1817 | |
| 90 | I | A | 0.0000 | |
| 91 | T | A | -0.7245 | |
| 92 | P | A | -0.8374 | |
| 93 | H | A | -1.1685 | |
| 94 | A | A | 0.0000 | |
| 95 | F | A | 0.0000 | |
| 96 | A | A | -1.1452 | |
| 97 | D | A | -1.6606 | |
| 98 | L | A | 0.0000 | |
| 99 | R | A | -3.1608 | |
| 100 | N | A | -2.7975 | |
| 101 | L | A | 0.0000 | |
| 102 | R | A | -2.3112 | |
| 103 | A | A | 0.0000 | |
| 104 | L | A | 0.0000 | |
| 105 | H | A | -0.6939 | |
| 106 | L | A | 0.0000 | |
| 107 | N | A | -1.1482 | |
| 108 | S | A | -1.6562 | |
| 109 | N | A | 0.0000 | |
| 110 | R | A | -2.5334 | |
| 111 | L | A | 0.0000 | |
| 112 | T | A | -1.5083 | |
| 113 | K | A | -1.6452 | |
| 114 | I | A | 0.0000 | |
| 115 | T | A | -0.9896 | |
| 116 | N | A | -1.5979 | |
| 117 | D | A | -1.2615 | |
| 118 | M | A | 0.0000 | |
| 119 | F | A | 0.0000 | |
| 120 | S | A | -1.2071 | |
| 121 | G | A | -1.5727 | |
| 122 | L | A | 0.0000 | |
| 123 | S | A | -2.0087 | |
| 124 | N | A | -2.4799 | |
| 125 | L | A | 0.0000 | |
| 126 | H | A | -1.3330 | |
| 127 | H | A | -1.0875 | |
| 128 | L | A | 0.0000 | |
| 129 | I | A | -0.2331 | |
| 130 | L | A | 0.0000 | |
| 131 | N | A | -0.7307 | |
| 132 | N | A | -1.5249 | |
| 133 | N | A | 0.0000 | |
| 134 | Q | A | -2.2090 | |
| 135 | L | A | 0.0000 | |
| 136 | T | A | -0.9739 | |
| 137 | L | A | -0.3375 | |
| 138 | I | A | 0.0000 | |
| 139 | S | A | -0.5352 | |
| 140 | S | A | -0.8057 | |
| 141 | T | A | -1.3942 | |
| 142 | A | A | 0.0000 | |
| 143 | F | A | 0.0000 | |
| 144 | D | A | -2.3955 | |
| 145 | D | A | -1.9617 | |
| 146 | V | A | 0.0000 | |
| 147 | F | A | -0.6057 | |
| 148 | A | A | -0.7493 | |
| 149 | L | A | 0.0000 | |
| 150 | E | A | -0.9655 | |
| 151 | E | A | -0.9986 | |
| 152 | L | A | 0.0000 | |
| 153 | D | A | -0.4679 | |
| 154 | L | A | 0.0000 | |
| 155 | S | A | 0.0000 | |
| 156 | Y | A | -0.4206 | |
| 157 | N | A | 0.0000 | |
| 158 | N | A | -1.3707 | |
| 159 | L | A | 0.0000 | |
| 160 | E | A | -2.2718 | |
| 161 | T | A | -1.2154 | |
| 162 | I | A | 0.0000 | |
| 163 | P | A | 0.0000 | |
| 164 | W | A | 0.0000 | |
| 165 | D | A | -2.6233 | |
| 166 | A | A | 0.0000 | |
| 167 | V | A | 0.0000 | |
| 168 | E | A | -2.1808 | |
| 169 | K | A | -1.9950 | |
| 170 | M | A | 0.0000 | |
| 171 | V | A | -0.3862 | |
| 172 | S | A | -0.5575 | |
| 173 | L | A | 0.0000 | |
| 174 | H | A | -1.3047 | |
| 175 | T | A | -1.1749 | |
| 176 | L | A | 0.0000 | |
| 177 | S | A | -0.6240 | |
| 178 | L | A | 0.0000 | |
| 179 | D | A | -0.4393 | |
| 180 | H | A | -0.4789 | |
| 181 | N | A | 0.0000 | |
| 182 | M | A | -1.3783 | |
| 183 | I | A | 0.0000 | |
| 184 | D | A | -2.4779 | |
| 185 | N | A | -2.4631 | |
| 186 | I | A | 0.0000 | |
| 187 | P | A | -1.4711 | |
| 188 | K | A | -2.0853 | |
| 189 | G | A | -1.7513 | |
| 190 | T | A | 0.0000 | |
| 191 | F | A | 0.0000 | |
| 192 | S | A | -1.3493 | |
| 193 | H | A | -1.7849 | |
| 194 | L | A | 0.0000 | |
| 195 | H | A | -1.7829 | |
| 196 | K | A | -1.9332 | |
| 197 | M | A | 0.0000 | |
| 198 | T | A | -1.3859 | |
| 199 | R | A | -1.6196 | |
| 200 | L | A | 0.0000 | |
| 201 | D | A | -0.9600 | |
| 202 | V | A | 0.0000 | |
| 203 | T | A | -0.7346 | |
| 204 | S | A | -0.3451 | |
| 205 | N | A | 0.0000 | |
| 206 | K | A | -1.8951 | |
| 207 | L | A | 0.0000 | |
| 208 | Q | A | -1.9276 | |
| 209 | K | A | -1.8571 | |
| 210 | L | A | 0.0000 | |
| 211 | P | A | 0.0000 | |
| 212 | P | A | -0.8981 | |
| 213 | D | A | 0.0000 | |
| 214 | P | A | -1.2175 | |
| 215 | L | A | 0.0000 | |
| 216 | F | A | 0.0000 | |
| 217 | Q | A | -2.3868 | |
| 218 | R | A | -2.3075 | |
| 219 | A | A | 0.0000 | |
| 220 | Q | A | -1.1939 | |
| 221 | V | A | 0.4395 | |
| 222 | L | A | 1.9101 | |
| 223 | A | A | 1.9307 | |
| 224 | T | A | 1.1629 | |
| 225 | S | A | 0.5413 | |
| 226 | G | A | 0.8648 | |
| 227 | I | A | 2.8520 | |
| 228 | I | A | 3.1454 | |
| 229 | S | A | 1.7380 | |
| 230 | P | A | 0.5365 | |
| 231 | S | A | -0.3263 | |
| 232 | T | A | -0.9792 | |
| 233 | F | A | 0.0000 | |
| 234 | A | A | -0.8721 | |
| 235 | L | A | 0.0000 | |
| 236 | S | A | -0.8299 | |
| 237 | F | A | 0.0000 | |
| 238 | G | A | 0.0000 | |
| 239 | G | A | -0.4731 | |
| 240 | N | A | 0.0000 | |
| 241 | P | A | -0.9538 | |
| 242 | L | A | 0.0000 | |
| 243 | H | A | -0.7553 | |
| 244 | C | A | 0.0000 | |
| 245 | N | A | 0.0000 | |
| 246 | C | A | -0.0935 | |
| 247 | E | A | -0.3078 | |
| 248 | L | A | 0.0000 | |
| 249 | L | A | -0.5893 | |
| 250 | W | A | -0.6819 | |
| 251 | L | A | 0.0000 | |
| 252 | R | A | -1.2592 | |
| 253 | R | A | -2.2309 | |
| 254 | L | A | 0.0000 | |
| 255 | S | A | -1.1237 | |
| 256 | R | A | -2.0346 | |
| 257 | E | A | -3.0811 | |
| 258 | D | A | -2.9953 | |
| 259 | D | A | -2.3765 | |
| 260 | L | A | -0.0774 | |
| 261 | E | A | 0.0000 | |
| 262 | T | A | -0.0177 | |
| 263 | C | A | 0.0000 | |
| 264 | A | A | -0.2493 | |
| 265 | S | A | -0.0979 | |
| 266 | P | A | 0.4455 | |
| 267 | A | A | 0.6776 | |
| 268 | L | A | 1.3212 | |
| 269 | L | A | 0.0000 | |
| 270 | T | A | 0.0154 | |
| 271 | G | A | -0.4906 | |
| 272 | R | A | -0.2964 | |
| 273 | Y | A | 0.1977 | |
| 274 | F | A | 0.0000 | |
| 275 | W | A | -0.9739 | |
| 276 | S | A | -0.2579 | |
| 277 | I | A | 0.0000 | |
| 278 | P | A | -1.4466 | |
| 279 | E | A | -2.0513 | |
| 280 | E | A | -2.1802 | |
| 281 | E | A | -1.0409 | |
| 282 | F | A | 0.0000 | |
| 283 | L | A | 0.1206 | |
| 284 | C | A | -0.5676 | |
| 285 | E | A | -1.8049 | |
| 286 | P | A | -1.6001 | |
| 287 | P | A | 0.0000 | |
| 288 | L | A | -0.4830 | |
| 289 | I | A | -0.8385 | |
| 290 | T | A | -1.3178 | |
| 291 | R | A | -2.9352 | |
| 292 | H | A | -2.5827 | |
| 293 | T | A | -2.0642 | |
| 294 | H | A | -2.1785 | |
| 295 | E | A | -2.1206 | |
| 296 | M | A | -1.6160 | |
| 297 | R | A | -1.8957 | |
| 298 | V | A | -1.1966 | |
| 299 | L | A | -0.4807 | |
| 300 | E | A | -1.0167 | |
| 301 | G | A | -0.7310 | |
| 302 | Q | A | -1.6297 | |
| 303 | R | A | -1.8429 | |
| 304 | A | A | 0.0000 | |
| 305 | T | A | -0.5761 | |
| 306 | L | A | 0.0000 | |
| 307 | R | A | -2.4104 | |
| 308 | C | A | 0.0000 | |
| 309 | K | A | -2.5459 | |
| 310 | A | A | -1.8396 | |
| 311 | R | A | -2.7479 | |
| 312 | G | A | -2.0627 | |
| 313 | D | A | -1.6801 | |
| 314 | P | A | 0.0000 | |
| 315 | E | A | -2.6196 | |
| 316 | P | A | -1.9471 | |
| 317 | A | A | -1.4511 | |
| 318 | I | A | -0.9715 | |
| 319 | H | A | -0.4678 | |
| 320 | W | A | 0.0000 | |
| 321 | I | A | -0.2242 | |
| 322 | S | A | -0.8611 | |
| 323 | P | A | -1.6161 | |
| 324 | E | A | -2.5802 | |
| 325 | G | A | -1.7239 | |
| 326 | K | A | -1.5878 | |
| 327 | L | A | 0.3904 | |
| 328 | I | A | 0.1709 | |
| 329 | S | A | -0.4654 | |
| 330 | N | A | -1.0901 | |
| 331 | A | A | -0.6184 | |
| 332 | T | A | -0.3242 | |
| 333 | R | A | -0.4875 | |
| 334 | S | A | -0.2628 | |
| 335 | L | A | 0.1914 | |
| 336 | V | A | -0.4719 | |
| 337 | Y | A | -0.9561 | |
| 338 | D | A | -2.1572 | |
| 339 | N | A | -2.3041 | |
| 340 | G | A | 0.0000 | |
| 341 | T | A | 0.0000 | |
| 342 | L | A | 0.0000 | |
| 343 | D | A | 0.0000 | |
| 344 | I | A | 0.0000 | |
| 345 | L | A | 0.0737 | |
| 346 | I | A | 0.2826 | |
| 347 | T | A | 0.0000 | |
| 348 | T | A | -0.5856 | |
| 349 | V | A | -0.4186 | |
| 350 | K | A | -1.7069 | |
| 351 | D | A | -1.0149 | |
| 352 | T | A | -0.8078 | |
| 353 | G | A | -0.9397 | |
| 354 | A | A | -0.8709 | |
| 355 | F | A | 0.0000 | |
| 356 | T | A | -0.2995 | |
| 357 | C | A | 0.0000 | |
| 358 | I | A | -0.5078 | |
| 359 | A | A | 0.0000 | |
| 360 | S | A | -1.3450 | |
| 361 | N | A | -1.6464 | |
| 362 | P | A | -1.1213 | |
| 363 | A | A | -0.9356 | |
| 364 | G | A | -1.3224 | |
| 365 | E | A | -1.7652 | |
| 366 | A | A | -0.5912 | |
| 367 | T | A | -0.4035 | |
| 368 | Q | A | -0.5651 | |
| 369 | T | A | -0.7160 | |
| 370 | M | A | 0.0000 | |
| 371 | D | A | -1.7229 | |
| 372 | L | A | 0.0000 | |
| 373 | H | A | -1.3548 | |
| 374 | I | A | 0.0000 | |
| 375 | I | A | 0.0605 | |
| 376 | K | A | -0.6887 | |
| 377 | L | A | 0.7083 | |
| 378 | P | A | 0.3883 | |
| 379 | H | A | 0.0658 | |
| 380 | L | A | 1.5523 | |
| 381 | L | A | 1.3185 | |
| 382 | N | A | -0.3084 | |
| 383 | S | A | -0.5529 | |
| 384 | T | A | -1.2118 | |
| 385 | N | A | -1.5427 | |
| 386 | N | A | -1.2163 | |
| 387 | I | A | 0.1830 | |
| 388 | H | A | -1.2856 | |
| 389 | E | A | -2.5871 | |
| 390 | P | A | -2.2767 | |
| 391 | D | A | -2.5415 | |
| 392 | P | A | -1.6432 | |
| 393 | G | A | -1.0754 | |
| 394 | S | A | -1.0165 | |
| 395 | S | A | -0.8257 | |
| 396 | D | A | -1.0112 | |
| 397 | I | A | 0.9758 | |
| 398 | S | A | 0.2420 | |
| 399 | T | A | -0.3917 | |
| 400 | S | A | -1.5527 | |
| 401 | T | A | -2.2410 | |
| 402 | K | A | -3.2821 | |
| 403 | S | A | -2.0611 | |
| 404 | G | A | -1.3725 | |
| 405 | S | A | -1.2950 | |
| 406 | N | A | -1.4779 | |
| 407 | A | A | -0.8514 | |
| 408 | S | A | -0.6138 | |
| 409 | S | A | -0.6862 | |
| 410 | S | A | -1.0773 | |
| 411 | N | A | -2.0527 | |
| 412 | G | A | -2.1778 | |
| 413 | D | A | -2.7188 | |
| 414 | T | A | -1.6212 | |
| 415 | K | A | -1.7141 | |
| 416 | M | A | -0.3057 | |
| 417 | S | A | -1.1000 | |
| 418 | Q | A | -1.6847 | |
| 419 | D | A | -1.9100 | |
| 420 | K | A | -2.4574 | |
| 421 | I | A | 0.0000 | |
| 422 | V | A | 0.4523 | |
| 423 | V | A | 0.5601 | |
| 424 | A | A | -0.1906 | |
| 425 | E | A | -1.3512 | |
| 426 | A | A | -1.0117 | |
| 427 | S | A | -1.6443 | |
| 428 | S | A | -1.9351 | |
| 429 | S | A | -1.5368 | |
| 430 | T | A | -0.9509 | |
| 431 | A | A | 0.0000 | |
| 432 | L | A | 0.2984 | |
| 433 | L | A | 0.0000 | |
| 434 | K | A | -0.9773 | |
| 435 | F | A | 0.0000 | |
| 436 | N | A | -2.4075 | |
| 437 | F | A | -2.1403 | |
| 438 | Q | A | -2.6627 | |
| 439 | R | A | -3.0096 | |
| 440 | N | A | -2.3372 | |
| 441 | I | A | -1.5203 | |
| 442 | P | A | -1.4499 | |
| 443 | G | A | -1.6905 | |
| 444 | I | A | -1.3292 | |
| 445 | R | A | -2.1268 | |
| 446 | M | A | -0.7727 | |
| 447 | F | A | 0.0000 | |
| 448 | Q | A | 0.1374 | |
| 449 | I | A | 0.0000 | |
| 450 | Q | A | 0.4175 | |
| 451 | Y | A | 0.0000 | |
| 452 | N | A | -0.7116 | |
| 453 | G | A | 0.0000 | |
| 454 | T | A | -0.1370 | |
| 455 | Y | A | 0.3837 | |
| 456 | D | A | -1.0876 | |
| 457 | D | A | -1.8595 | |
| 458 | T | A | -0.6320 | |
| 459 | L | A | 0.2197 | |
| 460 | V | A | 0.6991 | |
| 461 | Y | A | 1.3167 | |
| 462 | R | A | 0.3681 | |
| 463 | M | A | 0.2769 | |
| 464 | I | A | 0.0000 | |
| 465 | P | A | -0.7600 | |
| 466 | P | A | -0.9043 | |
| 467 | T | A | -0.7472 | |
| 468 | S | A | -1.1550 | |
| 469 | K | A | -2.1947 | |
| 470 | T | A | -0.6910 | |
| 471 | F | A | 0.3259 | |
| 472 | L | A | 0.9672 | |
| 473 | V | A | 0.0000 | |
| 474 | N | A | -1.0941 | |
| 475 | N | A | -1.7176 | |
| 476 | L | A | 0.0000 | |
| 477 | A | A | -0.9951 | |
| 478 | S | A | -1.3778 | |
| 479 | G | A | -1.5110 | |
| 480 | T | A | 0.0000 | |
| 481 | M | A | -0.2721 | |
| 482 | Y | A | 0.0000 | |
| 483 | D | A | -0.8847 | |
| 484 | L | A | 0.0000 | |
| 485 | C | A | 0.4218 | |
| 486 | V | A | 0.0000 | |
| 487 | L | A | 0.3123 | |
| 488 | A | A | 0.0000 | |
| 489 | I | A | 0.0000 | |
| 490 | Y | A | -1.5563 | |
| 491 | D | A | -1.8230 | |
| 492 | D | A | -0.4311 | |
| 493 | G | A | -0.0934 | |
| 494 | I | A | 1.5946 | |
| 495 | T | A | 0.8183 | |
| 496 | S | A | 0.3418 | |
| 497 | L | A | 1.0371 | |
| 498 | T | A | -0.3847 | |
| 499 | A | A | -0.6690 | |
| 500 | T | A | -0.5963 | |
| 501 | R | A | -0.9403 | |
| 502 | V | A | 0.9548 | |
| 503 | V | A | 0.0000 | |
| 504 | G | A | 0.0266 | |
| 505 | C | A | 0.0677 | |
| 506 | I | A | -0.4966 | |
| 507 | Q | A | -0.9302 | |
| 508 | F | A | -0.3167 | |
| 509 | T | A | -0.8335 | |
| 510 | T | A | 0.0000 | |
| 511 | E | A | -2.7776 | |
| 512 | Q | A | -2.3473 | |
| 513 | D | A | -1.8692 | |
| 514 | Y | A | 0.2091 | |
| 515 | V | A | 0.8884 | |
| 516 | R | A | -0.2802 | |
| 517 | C | A | 0.8217 | |
| 518 | H | A | 0.2838 | |
| 519 | F | A | 1.5614 | |
| 520 | M | A | 1.1877 | |
| 521 | Q | A | -0.0174 | |
| 522 | S | A | 0.1649 | |
| 523 | Q | A | -0.2906 | |
| 524 | F | A | 1.9073 | |
| 525 | L | A | 2.6125 | |
| 526 | G | A | 1.7846 | |
| 527 | G | A | 2.1246 | |
| 528 | T | A | 2.7597 | |
| 529 | M | A | 3.5367 | |
| 530 | I | A | 4.2946 | |
| 531 | I | A | 4.5368 | |
| 532 | I | A | 4.3682 | |
| 533 | I | A | 4.5465 | |
| 534 | G | A | 3.8608 | |
| 535 | G | A | 3.7268 | |
| 536 | I | A | 4.8638 | |
| 537 | I | A | 5.0620 | |
| 538 | V | A | 4.7835 | |
| 539 | A | A | 3.9203 | |
| 540 | S | A | 4.0515 | |
| 541 | V | A | 5.2520 | |
| 542 | L | A | 5.2990 | |
| 543 | V | A | 5.1895 | |
| 544 | F | A | 5.3170 | |
| 545 | I | A | 4.3858 | |
| 546 | I | A | 4.3555 | |
| 547 | I | A | 3.5286 | |
| 548 | L | A | 2.7243 | |
| 549 | M | A | 2.5928 | |
| 550 | I | A | 2.0551 | |
| 551 | R | A | 0.3292 | |
| 552 | Y | A | 0.8533 | |
| 553 | K | A | -0.7392 | |
| 554 | V | A | 0.6068 | |
| 555 | C | A | -0.1172 | |
| 556 | N | A | -2.0659 | |
| 557 | N | A | -2.3319 | |
| 558 | N | A | -2.6704 | |
| 559 | G | A | -2.4972 | |
| 560 | Q | A | -2.6731 | |
| 561 | H | A | -2.2288 | |
| 562 | K | A | -1.4777 | |
| 563 | V | A | 0.1127 | |
| 564 | T | A | 0.0330 | |
| 565 | K | A | -0.4659 | |
| 566 | V | A | 0.5046 | |
| 567 | S | A | 0.0875 | |
| 568 | N | A | 0.2370 | |
| 569 | V | A | 1.6154 | |
| 570 | Y | A | 1.4604 | |
| 571 | S | A | 0.1835 | |
| 572 | Q | A | -1.2788 | |
| 573 | T | A | -1.4013 | |
| 574 | N | A | -1.7811 | |
| 575 | G | A | -1.4084 | |
| 576 | A | A | -0.8079 | |
| 577 | Q | A | -0.9415 | |
| 578 | M | A | -0.2716 | |
| 579 | Q | A | -1.0354 | |
| 580 | G | A | -0.5258 | |
| 581 | C | A | 0.5363 | |
| 582 | S | A | 0.9162 | |
| 583 | V | A | 2.0841 | |
| 584 | T | A | 1.3379 | |
| 585 | L | A | 1.3797 | |
| 586 | P | A | -0.0745 | |
| 587 | Q | A | -0.8497 | |
| 588 | S | A | -0.3107 | |
| 589 | M | A | 0.2529 | |
| 590 | S | A | -0.7093 | |
| 591 | K | A | -2.1620 | |
| 592 | Q | A | -1.8185 | |
| 593 | A | A | -0.5545 | |
| 594 | M | A | 0.4037 | |
| 595 | G | A | -0.9228 | |
| 596 | H | A | -2.4204 | |
| 597 | E | A | -3.8174 | |
| 598 | E | A | -4.0806 | |
| 599 | N | A | -3.5271 | |
| 600 | A | A | -2.1677 | |
| 601 | Q | A | -1.4020 | |
| 602 | C | A | 0.2172 | |
| 603 | C | A | 0.3636 | |
| 604 | K | A | -0.3385 | |
| 605 | V | A | 1.1324 | |
| 606 | A | A | 0.0754 | |
| 607 | S | A | -0.8113 | |
| 608 | D | A | -1.9815 | |
| 609 | S | A | -0.6415 | |
| 610 | A | A | 0.3135 | |
| 611 | I | A | 1.3455 | |
| 612 | Q | A | -0.5628 | |
| 613 | S | A | -0.8996 | |
| 614 | S | A | -1.3262 | |
| 615 | E | A | -1.9815 | |
| 616 | T | A | -0.8515 | |
| 617 | C | A | -0.0143 | |
| 618 | S | A | -0.1526 | |
| 619 | S | A | -1.0907 | |
| 620 | Q | A | -2.3460 | |
| 621 | D | A | -2.6820 | |
| 622 | S | A | -1.4570 | |
| 623 | S | A | -0.7236 | |
| 624 | T | A | -0.2665 | |
| 625 | T | A | -0.2344 | |
| 626 | T | A | -0.2140 | |
| 627 | S | A | 0.0836 | |
| 628 | A | A | 0.5940 | |
| 629 | L | A | 1.3386 | |
| 630 | P | A | 0.5419 | |
| 631 | P | A | 0.2346 | |
| 632 | T | A | 0.4408 | |
| 633 | W | A | 0.9506 | |
| 634 | T | A | 0.3084 | |
| 635 | S | A | -0.1089 | |
| 636 | S | A | -0.2539 | |
| 637 | A | A | 0.1190 | |
| 638 | P | A | 0.5075 | |
| 639 | V | A | 1.2819 | |
| 640 | S | A | -0.3288 | |
| 641 | Q | A | -1.9551 | |
| 642 | K | A | -3.3026 | |
| 643 | Q | A | -3.5744 | |
| 644 | K | A | -3.9727 | |
| 645 | R | A | -3.8818 | |
| 646 | K | A | -3.2426 | |
| 647 | T | A | -1.5456 | |
| 648 | G | A | -1.2543 | |
| 649 | T | A | -1.2025 | |
| 650 | K | A | -1.9955 | |
| 651 | P | A | -1.1803 | |
| 652 | S | A | -1.0604 | |
| 653 | A | A | -1.0212 | |
| 654 | E | A | -2.2352 | |
| 655 | P | A | -1.9030 | |
| 656 | Q | A | -2.2762 | |
| 657 | S | A | -1.9238 | |
| 658 | E | A | -1.8507 | |
| 659 | A | A | -0.1543 | |
| 660 | V | A | 1.3283 | |
| 661 | T | A | 0.5506 | |
| 662 | N | A | -0.5385 | |
| 663 | V | A | 0.3841 | |
| 664 | E | A | -1.6643 | |
| 665 | S | A | -1.6988 | |
| 666 | Q | A | -2.3748 | |
| 667 | N | A | -2.2185 | |
| 668 | T | A | -2.0047 | |
| 669 | N | A | -2.9657 | |
| 670 | R | A | -3.4741 | |
| 671 | N | A | -3.2264 | |
| 672 | N | A | -2.6660 | |
| 673 | S | A | -1.1731 | |
| 674 | T | A | -0.3456 | |
| 675 | A | A | 0.4289 | |
| 676 | L | A | 1.3142 | |
| 677 | Q | A | 0.3142 | |
| 678 | L | A | 1.2982 | |
| 679 | A | A | 0.6787 | |
| 680 | S | A | 0.3513 | |
| 681 | C | A | 0.4650 | |
| 682 | P | A | -0.5067 | |
| 683 | P | A | -1.1471 | |
| 684 | D | A | -1.7088 | |
| 685 | S | A | -0.4042 | |
| 686 | V | A | 0.8601 | |
| 687 | T | A | -0.1060 | |
| 688 | E | A | -1.8006 | |
| 689 | G | A | -1.6497 | |
| 690 | P | A | -1.0591 | |
| 691 | T | A | -0.8909 | |
| 692 | S | A | -1.2188 | |
| 693 | Q | A | -2.2122 | |
| 694 | R | A | -2.6500 | |
| 695 | A | A | -1.7529 | |
| 696 | H | A | -1.8257 | |
| 697 | T | A | -1.4779 | |
| 698 | K | A | -2.3917 | |
| 699 | P | A | -1.9520 | |
| 700 | N | A | -1.4085 | |
| 701 | A | A | 0.4642 | |
| 702 | L | A | 2.0369 | |
| 703 | L | A | 2.1987 | |
| 704 | T | A | 0.8171 | |
| 705 | N | A | -0.5780 | |
| 706 | V | A | 0.0924 | |
| 707 | D | A | -1.9006 | |
| 708 | Q | A | -2.2430 | |
| 709 | N | A | -1.9816 | |
| 710 | V | A | -0.3290 | |
| 711 | Q | A | -1.8774 | |
| 712 | E | A | -2.8125 | |
| 713 | T | A | -2.0917 | |
| 714 | Q | A | -2.6873 | |
| 715 | R | A | -2.4293 | |
| 716 | L | A | -0.2101 | |
| 717 | E | A | -1.3381 | |
| 718 | S | A | 0.0696 | |
| 719 | I | A | 1.7561 |
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 | -0.304 | 8.785 | View | CSV | PDB |
| 4.5 | -0.357 | 8.7864 | View | CSV | PDB |
| 5.0 | -0.4189 | 8.7905 | View | CSV | PDB |
| 5.5 | -0.4764 | 8.8015 | View | CSV | PDB |
| 6.0 | -0.5159 | 8.8256 | View | CSV | PDB |
| 6.5 | -0.531 | 8.8645 | View | CSV | PDB |
| 7.0 | -0.5255 | 8.9133 | View | CSV | PDB |
| 7.5 | -0.5087 | 8.9664 | View | CSV | PDB |
| 8.0 | -0.4864 | 9.0208 | View | CSV | PDB |
| 8.5 | -0.4589 | 9.0753 | View | CSV | PDB |
| 9.0 | -0.4244 | 9.128 | 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