| Chain sequence(s) | MSYQGKKNIPRITSDRLLIKGGKIVNDDQSFYADIYMEDGLIKQIGENLIVPGGVKTIEAHSRMVIPGGIDVHTRFQMPDQGMTSADDFFQGTKAALAGGTTMIIDHVVPEPGTSLLAAFDQWREWADSKSCCDYSLHVDITEWHKGIQEEMEALVKDHGVNSFLVYMAFKDRFQLTDSQIYEVLSVIRDIGAIAQVHAENGDIIAEEQQRILDLGITGPEGHVLSRPEEVEAEAVNRSITIANQTNCPLYVTKVMSKSAAEVIAQARKKGTVVYGEPITASLGTDGSHYWSKNWAKAAAFVTSPPLSPDPTTPDFLNSLLSCGDLQVTGSAHCTFNTAQKAVGKDNFTLIPEGTNGTEERMSVIWDKAVVTGKMDENQFVAVTSTNAAKVFNLYPRKGRISVGSDADLVIWDPDSVKTISAKTHNSALEYNIFEGMECRGSPLVVISQGKIVLEDGTLHVTEGSGRYIPRKPFPDFVYKRIKARSRLAELRGVPRGLYDGPVCEVSVTPKTVTPASSAKTSPAKQQAPPVRNLHQSGFSLSGAQIDDNIPRRTTQRIVAPPGGRANITSLG 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 globular. Max score is recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:07:37)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/41e756eba09f06/tmp/folded.pdb (00:07:37)
[INFO] Main: Simulation completed successfully. (00:10:53)
|
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 | 1.1041 | |
| 2 | S | A | 0.5570 | |
| 3 | Y | A | 0.5938 | |
| 4 | Q | A | -1.2399 | |
| 5 | G | A | -2.1623 | |
| 6 | K | A | -2.9432 | |
| 7 | K | A | -2.8944 | |
| 8 | N | A | -1.9274 | |
| 9 | I | A | 0.4135 | |
| 10 | P | A | -0.2301 | |
| 11 | R | A | -0.6738 | |
| 12 | I | A | 0.9370 | |
| 13 | T | A | -0.4033 | |
| 14 | S | A | -1.6261 | |
| 15 | D | A | -2.6857 | |
| 16 | R | A | -2.6561 | |
| 17 | L | A | 0.0000 | |
| 18 | L | A | 0.0000 | |
| 19 | I | A | 0.0000 | |
| 20 | K | A | -1.8148 | |
| 21 | G | A | -1.5474 | |
| 22 | G | A | 0.0000 | |
| 23 | K | A | -0.0275 | |
| 24 | I | A | 0.0000 | |
| 25 | V | A | 0.0000 | |
| 26 | N | A | 0.0000 | |
| 27 | D | A | -2.1058 | |
| 28 | D | A | -2.7241 | |
| 29 | Q | A | -2.1306 | |
| 30 | S | A | -0.5702 | |
| 31 | F | A | 1.0396 | |
| 32 | Y | A | 0.9655 | |
| 33 | A | A | 0.0000 | |
| 34 | D | A | 0.0000 | |
| 35 | I | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | M | A | 0.0000 | |
| 38 | E | A | -2.2357 | |
| 39 | D | A | -2.7292 | |
| 40 | G | A | -1.7016 | |
| 41 | L | A | -0.8745 | |
| 42 | I | A | 0.0000 | |
| 43 | K | A | -1.1722 | |
| 44 | Q | A | -0.8113 | |
| 45 | I | A | -0.2713 | |
| 46 | G | A | -0.8103 | |
| 47 | E | A | -2.0396 | |
| 48 | N | A | -1.5686 | |
| 49 | L | A | -0.0500 | |
| 50 | I | A | 1.5888 | |
| 51 | V | A | 0.8502 | |
| 52 | P | A | 0.0885 | |
| 53 | G | A | -0.6804 | |
| 54 | G | A | -1.2734 | |
| 55 | V | A | -1.4149 | |
| 56 | K | A | -2.0929 | |
| 57 | T | A | -1.4184 | |
| 58 | I | A | -1.3294 | |
| 59 | E | A | -2.3460 | |
| 60 | A | A | 0.0000 | |
| 61 | H | A | -1.8164 | |
| 62 | S | A | -1.0905 | |
| 63 | R | A | -1.2393 | |
| 64 | M | A | 0.0000 | |
| 65 | V | A | 0.0000 | |
| 66 | I | A | 0.0000 | |
| 67 | P | A | 0.0000 | |
| 68 | G | A | 0.0000 | |
| 69 | G | A | 0.0000 | |
| 70 | I | A | 0.0000 | |
| 71 | D | A | 0.0000 | |
| 72 | V | A | 0.0000 | |
| 73 | H | A | 0.0000 | |
| 74 | T | A | 0.0000 | |
| 75 | R | A | 0.0000 | |
| 76 | F | A | 0.0000 | |
| 77 | Q | A | -0.2229 | |
| 78 | M | A | 0.0000 | |
| 79 | P | A | -0.6880 | |
| 80 | D | A | 0.0000 | |
| 81 | Q | A | -1.1983 | |
| 82 | G | A | -0.9427 | |
| 83 | M | A | -0.4957 | |
| 84 | T | A | -0.3665 | |
| 85 | S | A | 0.0000 | |
| 86 | A | A | -0.1903 | |
| 87 | D | A | 0.0000 | |
| 88 | D | A | -0.3649 | |
| 89 | F | A | 0.0000 | |
| 90 | F | A | -0.7419 | |
| 91 | Q | A | -0.8230 | |
| 92 | G | A | 0.0000 | |
| 93 | T | A | 0.0000 | |
| 94 | K | A | -0.8261 | |
| 95 | A | A | 0.0000 | |
| 96 | A | A | 0.0000 | |
| 97 | L | A | 0.0000 | |
| 98 | A | A | -0.2975 | |
| 99 | G | A | 0.0000 | |
| 100 | G | A | 0.0000 | |
| 101 | T | A | 0.0000 | |
| 102 | T | A | 0.0000 | |
| 103 | M | A | 0.0000 | |
| 104 | I | A | 0.0000 | |
| 105 | I | A | 0.0000 | |
| 106 | D | A | 0.0000 | |
| 107 | H | A | 0.0000 | |
| 108 | V | A | 0.0000 | |
| 109 | V | A | 0.0000 | |
| 110 | P | A | 0.0000 | |
| 111 | E | A | -2.3212 | |
| 112 | P | A | -1.7453 | |
| 113 | G | A | -1.2164 | |
| 114 | T | A | -0.9509 | |
| 115 | S | A | -0.3753 | |
| 116 | L | A | 0.0000 | |
| 117 | L | A | -0.2510 | |
| 118 | A | A | -0.6094 | |
| 119 | A | A | 0.0000 | |
| 120 | F | A | 0.0000 | |
| 121 | D | A | -2.5070 | |
| 122 | Q | A | -1.9621 | |
| 123 | W | A | 0.0000 | |
| 124 | R | A | -2.3312 | |
| 125 | E | A | -2.9503 | |
| 126 | W | A | -1.6110 | |
| 127 | A | A | 0.0000 | |
| 128 | D | A | -2.2852 | |
| 129 | S | A | -1.8835 | |
| 130 | K | A | -1.7956 | |
| 131 | S | A | 0.0000 | |
| 132 | C | A | 0.0000 | |
| 133 | C | A | 0.0000 | |
| 134 | D | A | 0.0000 | |
| 135 | Y | A | 0.0000 | |
| 136 | S | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | H | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | D | A | 0.0000 | |
| 141 | I | A | 0.0000 | |
| 142 | T | A | 0.0000 | |
| 143 | E | A | -1.6665 | |
| 144 | W | A | 0.0000 | |
| 145 | H | A | -2.3183 | |
| 146 | K | A | -2.9058 | |
| 147 | G | A | -2.1273 | |
| 148 | I | A | -1.7977 | |
| 149 | Q | A | -2.2431 | |
| 150 | E | A | -2.6592 | |
| 151 | E | A | -1.6041 | |
| 152 | M | A | 0.0000 | |
| 153 | E | A | -2.4259 | |
| 154 | A | A | -2.0597 | |
| 155 | L | A | 0.0000 | |
| 156 | V | A | 0.0000 | |
| 157 | K | A | -3.1275 | |
| 158 | D | A | -3.0274 | |
| 159 | H | A | -2.0025 | |
| 160 | G | A | -1.6522 | |
| 161 | V | A | 0.0000 | |
| 162 | N | A | 0.0000 | |
| 163 | S | A | 0.0000 | |
| 164 | F | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | V | A | 0.0000 | |
| 167 | Y | A | 0.0000 | |
| 168 | M | A | 0.0000 | |
| 169 | A | A | 0.0000 | |
| 170 | F | A | -1.2951 | |
| 171 | K | A | -2.5670 | |
| 172 | D | A | -2.9875 | |
| 173 | R | A | -2.6157 | |
| 174 | F | A | 0.0000 | |
| 175 | Q | A | -1.8338 | |
| 176 | L | A | 0.0000 | |
| 177 | T | A | -0.9622 | |
| 178 | D | A | -1.4415 | |
| 179 | S | A | -1.0016 | |
| 180 | Q | A | -1.5147 | |
| 181 | I | A | 0.0000 | |
| 182 | Y | A | -0.5968 | |
| 183 | E | A | -1.7245 | |
| 184 | V | A | 0.0000 | |
| 185 | L | A | 0.0000 | |
| 186 | S | A | -1.1448 | |
| 187 | V | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | R | A | -1.3343 | |
| 190 | D | A | -2.0637 | |
| 191 | I | A | 0.0000 | |
| 192 | G | A | 0.0000 | |
| 193 | A | A | 0.0000 | |
| 194 | I | A | 0.0000 | |
| 195 | A | A | 0.0000 | |
| 196 | Q | A | 0.0000 | |
| 197 | V | A | 0.0000 | |
| 198 | H | A | 0.0000 | |
| 199 | A | A | 0.0000 | |
| 200 | E | A | 0.0000 | |
| 201 | N | A | -0.8856 | |
| 202 | G | A | 0.0000 | |
| 203 | D | A | -2.0701 | |
| 204 | I | A | -0.6694 | |
| 205 | I | A | 0.0000 | |
| 206 | A | A | -2.1171 | |
| 207 | E | A | -2.7719 | |
| 208 | E | A | -2.1065 | |
| 209 | Q | A | -1.7662 | |
| 210 | Q | A | -2.6784 | |
| 211 | R | A | -2.4619 | |
| 212 | I | A | 0.0000 | |
| 213 | L | A | -1.1393 | |
| 214 | D | A | -1.7135 | |
| 215 | L | A | 0.2930 | |
| 216 | G | A | -0.3448 | |
| 217 | I | A | 0.0370 | |
| 218 | T | A | -0.8855 | |
| 219 | G | A | -0.8058 | |
| 220 | P | A | 0.0000 | |
| 221 | E | A | -0.0856 | |
| 222 | G | A | 0.0000 | |
| 223 | H | A | 0.0000 | |
| 224 | V | A | 0.0000 | |
| 225 | L | A | 0.3862 | |
| 226 | S | A | 0.0000 | |
| 227 | R | A | 0.0000 | |
| 228 | P | A | -0.7124 | |
| 229 | E | A | -1.6945 | |
| 230 | E | A | -2.4521 | |
| 231 | V | A | 0.0000 | |
| 232 | E | A | 0.0000 | |
| 233 | A | A | -1.8387 | |
| 234 | E | A | -1.8730 | |
| 235 | A | A | 0.0000 | |
| 236 | V | A | 0.0000 | |
| 237 | N | A | -1.8045 | |
| 238 | R | A | -1.4793 | |
| 239 | S | A | 0.0000 | |
| 240 | I | A | 0.0000 | |
| 241 | T | A | -1.1251 | |
| 242 | I | A | -1.1542 | |
| 243 | A | A | 0.0000 | |
| 244 | N | A | -1.9358 | |
| 245 | Q | A | -1.7280 | |
| 246 | T | A | 0.0000 | |
| 247 | N | A | -1.7614 | |
| 248 | C | A | 0.0000 | |
| 249 | P | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | Y | A | 0.0000 | |
| 252 | V | A | 0.0000 | |
| 253 | T | A | 0.0000 | |
| 254 | K | A | 0.0000 | |
| 255 | V | A | 0.0000 | |
| 256 | M | A | 0.0000 | |
| 257 | S | A | 0.0000 | |
| 258 | K | A | -1.2721 | |
| 259 | S | A | -1.3780 | |
| 260 | A | A | 0.0000 | |
| 261 | A | A | 0.0000 | |
| 262 | E | A | -1.8754 | |
| 263 | V | A | -1.5594 | |
| 264 | I | A | 0.0000 | |
| 265 | A | A | -1.8310 | |
| 266 | Q | A | -2.7995 | |
| 267 | A | A | 0.0000 | |
| 268 | R | A | -2.3890 | |
| 269 | K | A | -3.1994 | |
| 270 | K | A | -3.0352 | |
| 271 | G | A | -2.2107 | |
| 272 | T | A | -1.6849 | |
| 273 | V | A | -0.9171 | |
| 274 | V | A | 0.0000 | |
| 275 | Y | A | 0.0000 | |
| 276 | G | A | 0.0000 | |
| 277 | E | A | 0.0000 | |
| 278 | P | A | 0.0000 | |
| 279 | I | A | 0.0000 | |
| 280 | T | A | 0.0000 | |
| 281 | A | A | 0.0000 | |
| 282 | S | A | 0.0000 | |
| 283 | L | A | 0.0000 | |
| 284 | G | A | 0.0000 | |
| 285 | T | A | 0.0000 | |
| 286 | D | A | -0.8257 | |
| 287 | G | A | 0.0000 | |
| 288 | S | A | -0.5129 | |
| 289 | H | A | -0.8695 | |
| 290 | Y | A | 0.0000 | |
| 291 | W | A | -0.3761 | |
| 292 | S | A | -1.4031 | |
| 293 | K | A | -2.3342 | |
| 294 | N | A | -2.3194 | |
| 295 | W | A | -1.5067 | |
| 296 | A | A | -1.2502 | |
| 297 | K | A | -1.6793 | |
| 298 | A | A | 0.0000 | |
| 299 | A | A | 0.0000 | |
| 300 | A | A | -0.5463 | |
| 301 | F | A | 0.0000 | |
| 302 | V | A | 0.0000 | |
| 303 | T | A | 0.0000 | |
| 304 | S | A | 0.0000 | |
| 305 | P | A | 0.0000 | |
| 306 | P | A | 0.0000 | |
| 307 | L | A | 0.0000 | |
| 308 | S | A | 0.0000 | |
| 309 | P | A | -0.7067 | |
| 310 | D | A | -1.0800 | |
| 311 | P | A | -1.0241 | |
| 312 | T | A | -0.9954 | |
| 313 | T | A | 0.0000 | |
| 314 | P | A | 0.0000 | |
| 315 | D | A | -1.8579 | |
| 316 | F | A | -0.5767 | |
| 317 | L | A | 0.0000 | |
| 318 | N | A | 0.0000 | |
| 319 | S | A | -0.3382 | |
| 320 | L | A | -0.1978 | |
| 321 | L | A | 0.0000 | |
| 322 | S | A | -0.2072 | |
| 323 | C | A | 0.4932 | |
| 324 | G | A | 0.0022 | |
| 325 | D | A | -0.7046 | |
| 326 | L | A | 0.0000 | |
| 327 | Q | A | -0.1784 | |
| 328 | V | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | G | A | 0.0000 | |
| 331 | S | A | 0.0000 | |
| 332 | A | A | 0.0000 | |
| 333 | H | A | 0.0000 | |
| 334 | C | A | 0.0000 | |
| 335 | T | A | 0.0000 | |
| 336 | F | A | 0.0000 | |
| 337 | N | A | -0.5662 | |
| 338 | T | A | -0.3626 | |
| 339 | A | A | -0.0177 | |
| 340 | Q | A | 0.0890 | |
| 341 | K | A | 0.0000 | |
| 342 | A | A | -0.2060 | |
| 343 | V | A | 0.6560 | |
| 344 | G | A | 0.0000 | |
| 345 | K | A | -2.0388 | |
| 346 | D | A | -2.4019 | |
| 347 | N | A | -1.2854 | |
| 348 | F | A | 0.0000 | |
| 349 | T | A | -0.2790 | |
| 350 | L | A | 0.1849 | |
| 351 | I | A | 0.0000 | |
| 352 | P | A | 0.0000 | |
| 353 | E | A | -0.4181 | |
| 354 | G | A | 0.0000 | |
| 355 | T | A | 0.0000 | |
| 356 | N | A | 0.0000 | |
| 357 | G | A | 0.0000 | |
| 358 | T | A | 0.0000 | |
| 359 | E | A | -0.3493 | |
| 360 | E | A | 0.0000 | |
| 361 | R | A | 0.0000 | |
| 362 | M | A | 0.0000 | |
| 363 | S | A | 0.0000 | |
| 364 | V | A | 0.0000 | |
| 365 | I | A | 0.0000 | |
| 366 | W | A | 0.0000 | |
| 367 | D | A | -0.6496 | |
| 368 | K | A | -0.9022 | |
| 369 | A | A | 0.0000 | |
| 370 | V | A | -0.6083 | |
| 371 | V | A | -0.0476 | |
| 372 | T | A | -0.4065 | |
| 373 | G | A | -0.8210 | |
| 374 | K | A | -1.0535 | |
| 375 | M | A | 0.0000 | |
| 376 | D | A | -2.1550 | |
| 377 | E | A | -1.6605 | |
| 378 | N | A | -2.0182 | |
| 379 | Q | A | -1.6615 | |
| 380 | F | A | 0.0000 | |
| 381 | V | A | 0.0000 | |
| 382 | A | A | 0.0000 | |
| 383 | V | A | 0.0000 | |
| 384 | T | A | 0.0000 | |
| 385 | S | A | 0.0000 | |
| 386 | T | A | 0.0000 | |
| 387 | N | A | -0.1934 | |
| 388 | A | A | 0.0000 | |
| 389 | A | A | 0.0000 | |
| 390 | K | A | -0.4660 | |
| 391 | V | A | 0.0000 | |
| 392 | F | A | 0.0000 | |
| 393 | N | A | -1.0875 | |
| 394 | L | A | 0.0000 | |
| 395 | Y | A | -0.3162 | |
| 396 | P | A | -0.6968 | |
| 397 | R | A | -1.3894 | |
| 398 | K | A | 0.0000 | |
| 399 | G | A | 0.0000 | |
| 400 | R | A | -0.6802 | |
| 401 | I | A | 0.0000 | |
| 402 | S | A | 0.1623 | |
| 403 | V | A | 0.8301 | |
| 404 | G | A | -0.2721 | |
| 405 | S | A | 0.0000 | |
| 406 | D | A | 0.0000 | |
| 407 | A | A | 0.0000 | |
| 408 | D | A | 0.0000 | |
| 409 | L | A | 0.0000 | |
| 410 | V | A | 0.0000 | |
| 411 | I | A | 0.0000 | |
| 412 | W | A | 0.0000 | |
| 413 | D | A | -0.7473 | |
| 414 | P | A | -1.0630 | |
| 415 | D | A | -1.9183 | |
| 416 | S | A | -0.7762 | |
| 417 | V | A | -0.3941 | |
| 418 | K | A | -1.0886 | |
| 419 | T | A | -1.4611 | |
| 420 | I | A | 0.0000 | |
| 421 | S | A | -1.7890 | |
| 422 | A | A | -1.6238 | |
| 423 | K | A | -2.1935 | |
| 424 | T | A | -1.0430 | |
| 425 | H | A | -0.9009 | |
| 426 | N | A | -0.8255 | |
| 427 | S | A | -0.7435 | |
| 428 | A | A | -0.4125 | |
| 429 | L | A | -0.7370 | |
| 430 | E | A | -1.5118 | |
| 431 | Y | A | -1.0325 | |
| 432 | N | A | 0.0000 | |
| 433 | I | A | 0.0000 | |
| 434 | F | A | 0.0000 | |
| 435 | E | A | -2.3620 | |
| 436 | G | A | -1.8365 | |
| 437 | M | A | -1.7959 | |
| 438 | E | A | -2.3419 | |
| 439 | C | A | 0.0000 | |
| 440 | R | A | -1.7865 | |
| 441 | G | A | 0.0000 | |
| 442 | S | A | -0.3865 | |
| 443 | P | A | -0.0671 | |
| 444 | L | A | -0.0315 | |
| 445 | V | A | 0.0000 | |
| 446 | V | A | 0.0000 | |
| 447 | I | A | 0.0000 | |
| 448 | S | A | 0.0000 | |
| 449 | Q | A | -1.0849 | |
| 450 | G | A | 0.0000 | |
| 451 | K | A | -1.6857 | |
| 452 | I | A | -0.4659 | |
| 453 | V | A | 0.0000 | |
| 454 | L | A | 0.0000 | |
| 455 | E | A | -1.6170 | |
| 456 | D | A | -2.2057 | |
| 457 | G | A | -1.4489 | |
| 458 | T | A | -0.9960 | |
| 459 | L | A | -0.5693 | |
| 460 | H | A | -0.6872 | |
| 461 | V | A | -0.5503 | |
| 462 | T | A | -1.0352 | |
| 463 | E | A | -2.2175 | |
| 464 | G | A | -1.7245 | |
| 465 | S | A | -1.1869 | |
| 466 | G | A | 0.0000 | |
| 467 | R | A | -1.2527 | |
| 468 | Y | A | -0.6828 | |
| 469 | I | A | 0.0000 | |
| 470 | P | A | -1.0650 | |
| 471 | R | A | 0.0000 | |
| 472 | K | A | -2.2008 | |
| 473 | P | A | -1.3288 | |
| 474 | F | A | -0.6693 | |
| 475 | P | A | 0.0000 | |
| 476 | D | A | -2.1064 | |
| 477 | F | A | -0.4849 | |
| 478 | V | A | 0.0000 | |
| 479 | Y | A | 0.0000 | |
| 480 | K | A | -3.1543 | |
| 481 | R | A | -3.2144 | |
| 482 | I | A | 0.0000 | |
| 483 | K | A | -2.6410 | |
| 484 | A | A | -2.0392 | |
| 485 | R | A | -1.9886 | |
| 486 | S | A | -1.7155 | |
| 487 | R | A | -1.8992 | |
| 488 | L | A | -0.0254 | |
| 489 | A | A | -0.6749 | |
| 490 | E | A | -1.7059 | |
| 491 | L | A | -0.1416 | |
| 492 | R | A | -1.3687 | |
| 493 | G | A | -0.6528 | |
| 494 | V | A | 0.5790 | |
| 495 | P | A | -0.6026 | |
| 496 | R | A | -1.1899 | |
| 497 | G | A | -0.4148 | |
| 498 | L | A | 0.9761 | |
| 499 | Y | A | 0.9292 | |
| 500 | D | A | -0.7001 | |
| 501 | G | A | -0.1419 | |
| 502 | P | A | 0.2825 | |
| 503 | V | A | 1.6872 | |
| 504 | C | A | 1.1087 | |
| 505 | E | A | -0.0209 | |
| 506 | V | A | 1.7471 | |
| 507 | S | A | 1.1041 | |
| 508 | V | A | 1.6052 | |
| 509 | T | A | 0.3751 | |
| 510 | P | A | -0.3776 | |
| 511 | K | A | -1.1346 | |
| 512 | T | A | -0.1733 | |
| 513 | V | A | 1.1323 | |
| 514 | T | A | 0.4207 | |
| 515 | P | A | 0.1179 | |
| 516 | A | A | -0.0110 | |
| 517 | S | A | -0.5266 | |
| 518 | S | A | -0.6476 | |
| 519 | A | A | -0.9528 | |
| 520 | K | A | -1.8131 | |
| 521 | T | A | -1.0390 | |
| 522 | S | A | -0.7194 | |
| 523 | P | A | -0.6913 | |
| 524 | A | A | -1.3006 | |
| 525 | K | A | -2.6114 | |
| 526 | Q | A | -2.6446 | |
| 527 | Q | A | -2.2380 | |
| 528 | A | A | -0.9333 | |
| 529 | P | A | -0.5679 | |
| 530 | P | A | -0.3607 | |
| 531 | V | A | 0.5645 | |
| 532 | R | A | -1.5991 | |
| 533 | N | A | -1.6742 | |
| 534 | L | A | -0.2474 | |
| 535 | H | A | -1.5932 | |
| 536 | Q | A | -1.8376 | |
| 537 | S | A | -0.8111 | |
| 538 | G | A | 0.0216 | |
| 539 | F | A | 1.7841 | |
| 540 | S | A | 1.1792 | |
| 541 | L | A | 1.5559 | |
| 542 | S | A | 0.3479 | |
| 543 | G | A | -0.2368 | |
| 544 | A | A | -0.7259 | |
| 545 | Q | A | -0.9948 | |
| 546 | I | A | 0.7960 | |
| 547 | D | A | -0.5062 | |
| 548 | D | A | -1.9375 | |
| 549 | N | A | -1.3069 | |
| 550 | I | A | 0.2222 | |
| 551 | P | A | -1.2726 | |
| 552 | R | A | -2.7094 | |
| 553 | R | A | -2.6156 | |
| 554 | T | A | -1.8993 | |
| 555 | T | A | -1.5098 | |
| 556 | Q | A | -1.4358 | |
| 557 | R | A | -1.0400 | |
| 558 | I | A | 1.6409 | |
| 559 | V | A | 2.1237 | |
| 560 | A | A | 1.1356 | |
| 561 | P | A | 0.1270 | |
| 562 | P | A | -0.7055 | |
| 563 | G | A | -1.2763 | |
| 564 | G | A | -1.7736 | |
| 565 | R | A | -2.2896 | |
| 566 | A | A | -1.1543 | |
| 567 | N | A | -0.8162 | |
| 568 | I | A | 1.1357 | |
| 569 | T | A | 0.7934 | |
| 570 | S | A | 0.7073 | |
| 571 | L | A | 1.2006 | |
| 572 | G | A | 0.2313 |
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 | -0.4211 | 3.6546 | View | CSV | PDB |
| 4.5 | -0.482 | 3.6546 | View | CSV | PDB |
| 5.0 | -0.554 | 3.6546 | View | CSV | PDB |
| 5.5 | -0.6243 | 3.6546 | View | CSV | PDB |
| 6.0 | -0.6803 | 3.6546 | View | CSV | PDB |
| 6.5 | -0.7136 | 3.6546 | View | CSV | PDB |
| 7.0 | -0.7251 | 3.6546 | View | CSV | PDB |
| 7.5 | -0.7225 | 3.6546 | View | CSV | PDB |
| 8.0 | -0.7114 | 3.6546 | View | CSV | PDB |
| 8.5 | -0.6929 | 3.6546 | View | CSV | PDB |
| 9.0 | -0.6655 | 3.6546 | 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