| Chain sequence(s) | MARLGLLALLCTLAALSASLLAAEPKSKSCSEVRRLYVSKGFNKNDAPLYEINGDHLKICSQDYTCCSQEMEEKYSLQSKDDFQTVVSEQCNHLQAIFASRYKKFDEFFKELLENAEKSLNDMFVKTYGHLYMQNSELFKDLFVELKRYYVAGNVNLEEMLNDFWARLLERMFRLVNSQYHFTDEYLECVSKYTEQLKPFGDVPRKLKLQVTRAFVAARTFAQGLAVARDVVNRVSVVNPTAQCTQALLKMIYCSHCRGLVTVKPCYNYCSNIMRGCLANQGDLDLEWNNFIDAMLMVAERLEGPFNIESVMDPIDVKISDAIMNMQDNSVQVSQKVFQGCGPPKPLPAGRISRSISESAFSARFRPYHPEQRPTTAAGTSLDRLVTDVKEKLKQAKKFWSSLPSTVCNDERMAAGNENEDDCWNGKSKSRYLFAVTGNGLANQGNNPEVQVDTSKPDILILRQIMALRVMTSKMKNAYNGNDVDFFDISDESSGEGSGSGCEYQQCPSEFEYNATDHSGKSANEKADSAGGAPAEAKPYLLAALCILFLAVQGEWR 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[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 (00:10:13)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c05af6b790051c/tmp/folded.pdb (00:10:13)
[INFO] Main: Simulation completed successfully. (00:13:10)
|
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 | 0.9285 | |
| 2 | A | A | 0.2985 | |
| 3 | R | A | -0.4368 | |
| 4 | L | A | 1.2863 | |
| 5 | G | A | 1.2538 | |
| 6 | L | A | 2.5006 | |
| 7 | L | A | 2.5541 | |
| 8 | A | A | 2.2458 | |
| 9 | L | A | 3.2451 | |
| 10 | L | A | 3.4209 | |
| 11 | C | A | 2.7888 | |
| 12 | T | A | 2.4602 | |
| 13 | L | A | 2.8947 | |
| 14 | A | A | 2.0676 | |
| 15 | A | A | 2.0269 | |
| 16 | L | A | 2.7886 | |
| 17 | S | A | 2.0085 | |
| 18 | A | A | 1.6348 | |
| 19 | S | A | 1.7321 | |
| 20 | L | A | 2.4007 | |
| 21 | L | A | 2.1375 | |
| 22 | A | A | 0.7091 | |
| 23 | A | A | -0.4009 | |
| 24 | E | A | -1.9212 | |
| 25 | P | A | -2.1876 | |
| 26 | K | A | -2.6939 | |
| 27 | S | A | -1.3662 | |
| 28 | K | A | -1.5637 | |
| 29 | S | A | -0.6366 | |
| 30 | C | A | 0.0000 | |
| 31 | S | A | -1.0875 | |
| 32 | E | A | -1.6670 | |
| 33 | V | A | 0.0000 | |
| 34 | R | A | -2.1042 | |
| 35 | R | A | -2.6716 | |
| 36 | L | A | -1.4054 | |
| 37 | Y | A | 0.0000 | |
| 38 | V | A | -1.5992 | |
| 39 | S | A | -1.2061 | |
| 40 | K | A | -1.1854 | |
| 41 | G | A | -1.0098 | |
| 42 | F | A | -1.5369 | |
| 43 | N | A | -2.5571 | |
| 44 | K | A | -2.9511 | |
| 45 | N | A | -2.3626 | |
| 46 | D | A | -2.0648 | |
| 47 | A | A | 0.0000 | |
| 48 | P | A | 0.4570 | |
| 49 | L | A | 1.2940 | |
| 50 | Y | A | 1.3123 | |
| 51 | E | A | -0.0025 | |
| 52 | I | A | 0.1502 | |
| 53 | N | A | -1.7577 | |
| 54 | G | A | 0.0000 | |
| 55 | D | A | -3.2607 | |
| 56 | H | A | -2.4345 | |
| 57 | L | A | 0.0000 | |
| 58 | K | A | -2.6720 | |
| 59 | I | A | -1.4596 | |
| 60 | C | A | 0.0000 | |
| 61 | S | A | -1.9906 | |
| 62 | Q | A | -3.0171 | |
| 63 | D | A | -2.4454 | |
| 64 | Y | A | -0.6126 | |
| 65 | T | A | 0.0000 | |
| 66 | C | A | 0.0000 | |
| 67 | C | A | 0.0000 | |
| 68 | S | A | -1.7346 | |
| 69 | Q | A | -2.8235 | |
| 70 | E | A | -2.6226 | |
| 71 | M | A | 0.0000 | |
| 72 | E | A | 0.0000 | |
| 73 | E | A | -2.6408 | |
| 74 | K | A | -1.5088 | |
| 75 | Y | A | 0.0000 | |
| 76 | S | A | -0.8764 | |
| 77 | L | A | 0.0079 | |
| 78 | Q | A | -0.9611 | |
| 79 | S | A | 0.0000 | |
| 80 | K | A | -1.3865 | |
| 81 | D | A | -2.0233 | |
| 82 | D | A | -1.6066 | |
| 83 | F | A | 0.0000 | |
| 84 | Q | A | -1.2223 | |
| 85 | T | A | -1.1360 | |
| 86 | V | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | S | A | -0.9074 | |
| 89 | E | A | -1.6958 | |
| 90 | Q | A | -1.4635 | |
| 91 | C | A | 0.0000 | |
| 92 | N | A | -2.1483 | |
| 93 | H | A | -1.7638 | |
| 94 | L | A | 0.0000 | |
| 95 | Q | A | -1.3770 | |
| 96 | A | A | -0.6562 | |
| 97 | I | A | -0.1925 | |
| 98 | F | A | 0.0000 | |
| 99 | A | A | -0.8739 | |
| 100 | S | A | -1.0847 | |
| 101 | R | A | -1.6975 | |
| 102 | Y | A | -1.6870 | |
| 103 | K | A | -3.1584 | |
| 104 | K | A | -3.2333 | |
| 105 | F | A | 0.0000 | |
| 106 | D | A | -2.7808 | |
| 107 | E | A | -3.7564 | |
| 108 | F | A | 0.0000 | |
| 109 | F | A | 0.0000 | |
| 110 | K | A | -2.4960 | |
| 111 | E | A | -3.3598 | |
| 112 | L | A | 0.0000 | |
| 113 | L | A | 0.0000 | |
| 114 | E | A | -3.0298 | |
| 115 | N | A | -2.6866 | |
| 116 | A | A | 0.0000 | |
| 117 | E | A | -2.8952 | |
| 118 | K | A | -3.0749 | |
| 119 | S | A | -1.9122 | |
| 120 | L | A | 0.0000 | |
| 121 | N | A | -2.1966 | |
| 122 | D | A | -2.3395 | |
| 123 | M | A | -1.1259 | |
| 124 | F | A | 0.0000 | |
| 125 | V | A | -0.6537 | |
| 126 | K | A | -1.8826 | |
| 127 | T | A | -1.2578 | |
| 128 | Y | A | -0.3031 | |
| 129 | G | A | -0.6837 | |
| 130 | H | A | -0.8933 | |
| 131 | L | A | -0.1241 | |
| 132 | Y | A | 0.0000 | |
| 133 | M | A | -0.1626 | |
| 134 | Q | A | -1.3461 | |
| 135 | N | A | -1.4701 | |
| 136 | S | A | -1.7810 | |
| 137 | E | A | -2.9957 | |
| 138 | L | A | 0.0000 | |
| 139 | F | A | 0.0000 | |
| 140 | K | A | -3.4066 | |
| 141 | D | A | -2.7576 | |
| 142 | L | A | 0.0000 | |
| 143 | F | A | 0.0000 | |
| 144 | V | A | -1.6719 | |
| 145 | E | A | -1.7527 | |
| 146 | L | A | 0.0000 | |
| 147 | K | A | -1.3358 | |
| 148 | R | A | -1.6768 | |
| 149 | Y | A | 0.0000 | |
| 150 | Y | A | 0.0000 | |
| 151 | V | A | 0.5896 | |
| 152 | A | A | -0.3025 | |
| 153 | G | A | 0.0000 | |
| 154 | N | A | -1.4518 | |
| 155 | V | A | -1.6429 | |
| 156 | N | A | -1.8341 | |
| 157 | L | A | 0.0000 | |
| 158 | E | A | -3.3542 | |
| 159 | E | A | -3.3802 | |
| 160 | M | A | 0.0000 | |
| 161 | L | A | 0.0000 | |
| 162 | N | A | -2.9711 | |
| 163 | D | A | -2.6647 | |
| 164 | F | A | 0.0000 | |
| 165 | W | A | 0.0000 | |
| 166 | A | A | -1.7733 | |
| 167 | R | A | -2.2694 | |
| 168 | L | A | 0.0000 | |
| 169 | L | A | 0.0000 | |
| 170 | E | A | -2.2587 | |
| 171 | R | A | -1.6582 | |
| 172 | M | A | 0.0000 | |
| 173 | F | A | 0.0000 | |
| 174 | R | A | -2.1738 | |
| 175 | L | A | -0.6926 | |
| 176 | V | A | 0.0369 | |
| 177 | N | A | 0.0000 | |
| 178 | S | A | -1.1175 | |
| 179 | Q | A | -1.3749 | |
| 180 | Y | A | -1.4635 | |
| 181 | H | A | -1.7505 | |
| 182 | F | A | -1.8027 | |
| 183 | T | A | -2.0141 | |
| 184 | D | A | -3.1383 | |
| 185 | E | A | -3.1996 | |
| 186 | Y | A | -1.9688 | |
| 187 | L | A | 0.0000 | |
| 188 | E | A | -3.3081 | |
| 189 | C | A | -1.9632 | |
| 190 | V | A | 0.0000 | |
| 191 | S | A | -2.1834 | |
| 192 | K | A | -2.5455 | |
| 193 | Y | A | -2.0740 | |
| 194 | T | A | -2.1163 | |
| 195 | E | A | -3.1474 | |
| 196 | Q | A | -2.6047 | |
| 197 | L | A | -2.1491 | |
| 198 | K | A | -3.1692 | |
| 199 | P | A | 0.0000 | |
| 200 | F | A | 0.0000 | |
| 201 | G | A | -2.2787 | |
| 202 | D | A | -3.1709 | |
| 203 | V | A | -2.4964 | |
| 204 | P | A | -2.3421 | |
| 205 | R | A | -3.6551 | |
| 206 | K | A | -3.0352 | |
| 207 | L | A | 0.0000 | |
| 208 | K | A | -2.1883 | |
| 209 | L | A | -1.3451 | |
| 210 | Q | A | -1.4661 | |
| 211 | V | A | 0.0000 | |
| 212 | T | A | -1.0247 | |
| 213 | R | A | -1.1932 | |
| 214 | A | A | 0.0000 | |
| 215 | F | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | A | A | 0.0000 | |
| 218 | A | A | 0.0000 | |
| 219 | R | A | -0.2295 | |
| 220 | T | A | 0.0000 | |
| 221 | F | A | 0.0000 | |
| 222 | A | A | 0.0000 | |
| 223 | Q | A | -0.6709 | |
| 224 | G | A | 0.0000 | |
| 225 | L | A | 0.0000 | |
| 226 | A | A | 0.0000 | |
| 227 | V | A | -0.3391 | |
| 228 | A | A | 0.0000 | |
| 229 | R | A | -1.2094 | |
| 230 | D | A | -1.3329 | |
| 231 | V | A | 0.0000 | |
| 232 | V | A | 0.0000 | |
| 233 | N | A | -1.5823 | |
| 234 | R | A | -1.4775 | |
| 235 | V | A | 0.0000 | |
| 236 | S | A | 0.0000 | |
| 237 | V | A | 0.9515 | |
| 238 | V | A | 0.1324 | |
| 239 | N | A | -0.8000 | |
| 240 | P | A | -0.6511 | |
| 241 | T | A | -0.6730 | |
| 242 | A | A | -0.6806 | |
| 243 | Q | A | -1.0425 | |
| 244 | C | A | 0.0000 | |
| 245 | T | A | -0.8066 | |
| 246 | Q | A | -1.0733 | |
| 247 | A | A | 0.0000 | |
| 248 | L | A | 0.0000 | |
| 249 | L | A | 0.0000 | |
| 250 | K | A | -0.9478 | |
| 251 | M | A | 0.0000 | |
| 252 | I | A | -0.4320 | |
| 253 | Y | A | 0.0000 | |
| 254 | C | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | H | A | -0.3875 | |
| 257 | C | A | 0.0000 | |
| 258 | R | A | -0.7256 | |
| 259 | G | A | -0.6044 | |
| 260 | L | A | -0.2129 | |
| 261 | V | A | -0.0153 | |
| 262 | T | A | -0.1566 | |
| 263 | V | A | -0.7923 | |
| 264 | K | A | -2.0412 | |
| 265 | P | A | 0.0000 | |
| 266 | C | A | 0.0000 | |
| 267 | Y | A | -1.7077 | |
| 268 | N | A | -0.4768 | |
| 269 | Y | A | 0.0000 | |
| 270 | C | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | N | A | 0.0000 | |
| 273 | I | A | 0.0000 | |
| 274 | M | A | 0.0000 | |
| 275 | R | A | -0.5920 | |
| 276 | G | A | 0.0000 | |
| 277 | C | A | 0.0000 | |
| 278 | L | A | 0.0000 | |
| 279 | A | A | 0.0000 | |
| 280 | N | A | -0.4305 | |
| 281 | Q | A | 0.0000 | |
| 282 | G | A | -0.7417 | |
| 283 | D | A | -0.4295 | |
| 284 | L | A | 0.0000 | |
| 285 | D | A | -0.3846 | |
| 286 | L | A | 0.8661 | |
| 287 | E | A | 0.0000 | |
| 288 | W | A | 0.0000 | |
| 289 | N | A | -1.2050 | |
| 290 | N | A | -1.2278 | |
| 291 | F | A | 0.0000 | |
| 292 | I | A | 0.0000 | |
| 293 | D | A | -1.8903 | |
| 294 | A | A | 0.0000 | |
| 295 | M | A | 0.0000 | |
| 296 | L | A | -1.1599 | |
| 297 | M | A | -0.8078 | |
| 298 | V | A | 0.0000 | |
| 299 | A | A | 0.0000 | |
| 300 | E | A | -2.2288 | |
| 301 | R | A | -1.7375 | |
| 302 | L | A | 0.0000 | |
| 303 | E | A | -1.8918 | |
| 304 | G | A | -1.4294 | |
| 305 | P | A | -1.1258 | |
| 306 | F | A | 0.0000 | |
| 307 | N | A | 0.0000 | |
| 308 | I | A | 0.0000 | |
| 309 | E | A | 0.0000 | |
| 310 | S | A | -0.5637 | |
| 311 | V | A | 0.0000 | |
| 312 | M | A | 0.0000 | |
| 313 | D | A | -0.8950 | |
| 314 | P | A | -0.5096 | |
| 315 | I | A | 0.0000 | |
| 316 | D | A | 0.0000 | |
| 317 | V | A | -0.2461 | |
| 318 | K | A | -0.8608 | |
| 319 | I | A | 0.0000 | |
| 320 | S | A | 0.0000 | |
| 321 | D | A | -1.4395 | |
| 322 | A | A | 0.0000 | |
| 323 | I | A | 0.0000 | |
| 324 | M | A | -1.1523 | |
| 325 | N | A | -1.8982 | |
| 326 | M | A | 0.0000 | |
| 327 | Q | A | -1.1192 | |
| 328 | D | A | -2.0919 | |
| 329 | N | A | -1.5901 | |
| 330 | S | A | -0.5341 | |
| 331 | V | A | 0.2753 | |
| 332 | Q | A | -1.3215 | |
| 333 | V | A | 0.0000 | |
| 334 | S | A | 0.0000 | |
| 335 | Q | A | -1.8304 | |
| 336 | K | A | -1.8181 | |
| 337 | V | A | 0.0000 | |
| 338 | F | A | -1.2251 | |
| 339 | Q | A | -1.8585 | |
| 340 | G | A | -1.3129 | |
| 341 | C | A | -0.9730 | |
| 342 | G | A | -0.9091 | |
| 343 | P | A | -0.9892 | |
| 344 | P | A | 0.0000 | |
| 345 | K | A | -2.0863 | |
| 346 | P | A | -1.2623 | |
| 347 | L | A | -0.5423 | |
| 348 | P | A | -0.6317 | |
| 349 | A | A | -0.3352 | |
| 350 | G | A | -0.8214 | |
| 351 | R | A | -1.3242 | |
| 352 | I | A | 0.2045 | |
| 353 | S | A | -0.5813 | |
| 354 | R | A | -1.2988 | |
| 355 | S | A | -0.4610 | |
| 356 | I | A | 0.3837 | |
| 357 | S | A | -0.5873 | |
| 358 | E | A | -1.5536 | |
| 359 | S | A | -1.0647 | |
| 360 | A | A | -0.6169 | |
| 361 | F | A | -0.4676 | |
| 362 | S | A | -1.4009 | |
| 363 | A | A | -1.3673 | |
| 364 | R | A | -2.1294 | |
| 365 | F | A | -1.2381 | |
| 366 | R | A | -2.0684 | |
| 367 | P | A | -1.0614 | |
| 368 | Y | A | -0.1453 | |
| 369 | H | A | -1.4551 | |
| 370 | P | A | -1.8641 | |
| 371 | E | A | -3.1338 | |
| 372 | Q | A | -3.2685 | |
| 373 | R | A | -3.1302 | |
| 374 | P | A | -1.7441 | |
| 375 | T | A | -0.9260 | |
| 376 | T | A | -0.4573 | |
| 377 | A | A | -0.0685 | |
| 378 | A | A | -0.4495 | |
| 379 | G | A | -0.8973 | |
| 380 | T | A | -0.9028 | |
| 381 | S | A | -0.9089 | |
| 382 | L | A | 0.0000 | |
| 383 | D | A | -1.8565 | |
| 384 | R | A | -2.3934 | |
| 385 | L | A | -1.6580 | |
| 386 | V | A | 0.0000 | |
| 387 | T | A | -2.1089 | |
| 388 | D | A | -2.2547 | |
| 389 | V | A | 0.0000 | |
| 390 | K | A | -2.7583 | |
| 391 | E | A | -3.4146 | |
| 392 | K | A | -2.7880 | |
| 393 | L | A | 0.0000 | |
| 394 | K | A | -3.8167 | |
| 395 | Q | A | -3.2368 | |
| 396 | A | A | 0.0000 | |
| 397 | K | A | -2.9725 | |
| 398 | K | A | -2.2660 | |
| 399 | F | A | 0.0000 | |
| 400 | W | A | 0.0000 | |
| 401 | S | A | -0.8052 | |
| 402 | S | A | -0.7531 | |
| 403 | L | A | 0.0000 | |
| 404 | P | A | 0.0000 | |
| 405 | S | A | -0.5985 | |
| 406 | T | A | -0.6623 | |
| 407 | V | A | 0.0000 | |
| 408 | C | A | 0.0000 | |
| 409 | N | A | -2.4007 | |
| 410 | D | A | -2.4439 | |
| 411 | E | A | -3.3881 | |
| 412 | R | A | -3.1767 | |
| 413 | M | A | 0.0000 | |
| 414 | A | A | 0.0000 | |
| 415 | A | A | 0.0000 | |
| 416 | G | A | -2.7828 | |
| 417 | N | A | -3.1846 | |
| 418 | E | A | -3.7893 | |
| 419 | N | A | -4.4905 | |
| 420 | E | A | -4.5209 | |
| 421 | D | A | -4.8384 | |
| 422 | D | A | -4.5018 | |
| 423 | C | A | 0.0000 | |
| 424 | W | A | 0.0000 | |
| 425 | N | A | -1.9098 | |
| 426 | G | A | -1.3566 | |
| 427 | K | A | -2.2405 | |
| 428 | S | A | -2.0358 | |
| 429 | K | A | -3.0259 | |
| 430 | S | A | -3.0934 | |
| 431 | R | A | -3.0223 | |
| 432 | Y | A | 0.0000 | |
| 433 | L | A | 1.6549 | |
| 434 | F | A | 1.9337 | |
| 435 | A | A | 1.2361 | |
| 436 | V | A | 0.8754 | |
| 437 | T | A | -0.4193 | |
| 438 | G | A | -0.8635 | |
| 439 | N | A | -0.9641 | |
| 440 | G | A | 0.0000 | |
| 441 | L | A | 0.0000 | |
| 442 | A | A | -1.1400 | |
| 443 | N | A | -1.8350 | |
| 444 | Q | A | 0.0000 | |
| 445 | G | A | -1.8562 | |
| 446 | N | A | -2.0668 | |
| 447 | N | A | -1.3002 | |
| 448 | P | A | -0.6416 | |
| 449 | E | A | -0.9224 | |
| 450 | V | A | 0.0000 | |
| 451 | Q | A | -1.7985 | |
| 452 | V | A | -1.5918 | |
| 453 | D | A | -1.7557 | |
| 454 | T | A | -1.4913 | |
| 455 | S | A | -1.4092 | |
| 456 | K | A | -1.9318 | |
| 457 | P | A | -0.7673 | |
| 458 | D | A | 0.0583 | |
| 459 | I | A | 1.4995 | |
| 460 | L | A | 0.8684 | |
| 461 | I | A | 0.0000 | |
| 462 | L | A | 0.3701 | |
| 463 | R | A | -0.9917 | |
| 464 | Q | A | 0.0000 | |
| 465 | I | A | 0.2174 | |
| 466 | M | A | 0.1204 | |
| 467 | A | A | -0.0189 | |
| 468 | L | A | 0.0000 | |
| 469 | R | A | -1.0804 | |
| 470 | V | A | 0.9143 | |
| 471 | M | A | 0.0000 | |
| 472 | T | A | 0.0000 | |
| 473 | S | A | -0.9481 | |
| 474 | K | A | -1.2733 | |
| 475 | M | A | 0.0000 | |
| 476 | K | A | -2.3086 | |
| 477 | N | A | -2.1988 | |
| 478 | A | A | 0.0000 | |
| 479 | Y | A | -1.5818 | |
| 480 | N | A | -2.1196 | |
| 481 | G | A | -1.5967 | |
| 482 | N | A | -1.6344 | |
| 483 | D | A | -1.1124 | |
| 484 | V | A | -0.4449 | |
| 485 | D | A | -0.7994 | |
| 486 | F | A | 0.6873 | |
| 487 | F | A | 1.6442 | |
| 488 | D | A | -0.2026 | |
| 489 | I | A | 1.0289 | |
| 490 | S | A | -0.8322 | |
| 491 | D | A | -2.6514 | |
| 492 | E | A | -2.6973 | |
| 493 | S | A | -2.0241 | |
| 494 | S | A | -1.7768 | |
| 495 | G | A | -1.8343 | |
| 496 | E | A | -2.4491 | |
| 497 | G | A | -1.7219 | |
| 498 | S | A | -1.1382 | |
| 499 | G | A | -1.0766 | |
| 500 | S | A | -0.6253 | |
| 501 | G | A | -0.7554 | |
| 502 | C | A | -0.2760 | |
| 503 | E | A | -1.3252 | |
| 504 | Y | A | -0.1925 | |
| 505 | Q | A | -1.2536 | |
| 506 | Q | A | -1.4150 | |
| 507 | C | A | -0.3414 | |
| 508 | P | A | -0.5883 | |
| 509 | S | A | -0.9752 | |
| 510 | E | A | -1.3105 | |
| 511 | F | A | 0.2635 | |
| 512 | E | A | -1.1347 | |
| 513 | Y | A | 0.1248 | |
| 514 | N | A | -1.1083 | |
| 515 | A | A | -1.0448 | |
| 516 | T | A | -1.3980 | |
| 517 | D | A | -2.5722 | |
| 518 | H | A | -2.3189 | |
| 519 | S | A | -1.9611 | |
| 520 | G | A | -1.9591 | |
| 521 | K | A | -2.3363 | |
| 522 | S | A | -1.6475 | |
| 523 | A | A | -1.5605 | |
| 524 | N | A | -2.8257 | |
| 525 | E | A | -3.5095 | |
| 526 | K | A | -3.3186 | |
| 527 | A | A | -2.3046 | |
| 528 | D | A | -2.3971 | |
| 529 | S | A | -1.3106 | |
| 530 | A | A | -0.7773 | |
| 531 | G | A | -0.7059 | |
| 532 | G | A | -0.7102 | |
| 533 | A | A | -0.3737 | |
| 534 | P | A | -0.7068 | |
| 535 | A | A | -0.9428 | |
| 536 | E | A | -2.1669 | |
| 537 | A | A | -1.7820 | |
| 538 | K | A | -1.8501 | |
| 539 | P | A | 0.1004 | |
| 540 | Y | A | 1.9290 | |
| 541 | L | A | 2.9379 | |
| 542 | L | A | 2.7711 | |
| 543 | A | A | 1.6490 | |
| 544 | A | A | 1.6051 | |
| 545 | L | A | 2.8054 | |
| 546 | C | A | 3.1030 | |
| 547 | I | A | 4.2480 | |
| 548 | L | A | 4.2963 | |
| 549 | F | A | 4.3419 | |
| 550 | L | A | 3.4401 | |
| 551 | A | A | 2.0754 | |
| 552 | V | A | 1.3701 | |
| 553 | Q | A | -0.5101 | |
| 554 | G | A | -1.3580 | |
| 555 | E | A | -1.8268 | |
| 556 | W | A | -1.0433 | |
| 557 | R | A | -1.7786 |
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 | -0.6665 | 7.4173 | View | CSV | PDB |
| 4.5 | -0.7432 | 7.4173 | View | CSV | PDB |
| 5.0 | -0.8364 | 7.4173 | View | CSV | PDB |
| 5.5 | -0.9279 | 7.4173 | View | CSV | PDB |
| 6.0 | -0.9997 | 7.4173 | View | CSV | PDB |
| 6.5 | -1.0399 | 7.4173 | View | CSV | PDB |
| 7.0 | -1.0484 | 7.4173 | View | CSV | PDB |
| 7.5 | -1.0355 | 7.4173 | View | CSV | PDB |
| 8.0 | -1.0107 | 7.4173 | View | CSV | PDB |
| 8.5 | -0.9772 | 7.4173 | View | CSV | PDB |
| 9.0 | -0.934 | 7.4173 | 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