| Chain sequence(s) |
A: MAMIGMNIIGLFMVLMLLLISLIILFACKPWRYFSRFRSSSRFSSTFKVGDLQRPLISDDGNLIQGQTSEVTREYDLEGACYQNDGLLHSSLTEGRFYKQRLPSSSPHFSQGESFVLEVISEPSDNALVGQTLKLPAEKGSLAEVQTYDWQNNRNENLQYNLEKDRLINLSPRLVEDQRSWLFLEVIAGPAIGLQHAVNSTSSSKLPVKLGRVSPSDLALKDSEVSGKHAQITWNSTKFKWELVDMGSLNGTLVNSHSISHPDLGSRKWGNPVELASDDIITLGTTTKVYVRISSQNEFQIPFKIGVASDPMAMRRGGRKLPMEDVCHYKWPLPGANKFGLFCVCDGHGGSGAAQSAIKIIPEVLANILSDSLRKEKVLSKRDASDVLRDMFAKTEARLEEHQYEGCTATVLLVWKDNEENFFAQCANLGDSACVIHLGGRYIQMTEDHRVVSLSERKRFQEAGLALRDGETRLFGINLARMLGDKFPKQQDSRFSAEPYISEPLRIDQSSKDVFAVLASDGLWDVVSPKKAVQLVLQMRDKERGRESSAEKIANGLLNEARAMRTKDNTSIIYLDFDTSL
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 partially or entirely disordered. Average 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 (00:08:40)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/58eab267cd011d6/tmp/folded.pdb (00:08:40)
[INFO] Main: Simulation completed successfully. (00:11:03)
|
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 | 1.7685 | |
| 2 | A | A | 1.4041 | |
| 3 | M | A | 1.9852 | |
| 4 | I | A | 2.1558 | |
| 5 | G | A | 1.7329 | |
| 6 | M | A | 2.1334 | |
| 7 | N | A | 1.3177 | |
| 8 | I | A | 2.7492 | |
| 9 | I | A | 3.8955 | |
| 10 | G | A | 2.7517 | |
| 11 | L | A | 3.7298 | |
| 12 | F | A | 4.9022 | |
| 13 | M | A | 4.5190 | |
| 14 | V | A | 5.0711 | |
| 15 | L | A | 4.9925 | |
| 16 | M | A | 4.4657 | |
| 17 | L | A | 4.8239 | |
| 18 | L | A | 5.0069 | |
| 19 | L | A | 4.6430 | |
| 20 | I | A | 4.6038 | |
| 21 | S | A | 3.9296 | |
| 22 | L | A | 4.5516 | |
| 23 | I | A | 4.7194 | |
| 24 | I | A | 4.5006 | |
| 25 | L | A | 3.7115 | |
| 26 | F | A | 3.6872 | |
| 27 | A | A | 2.4339 | |
| 28 | C | A | 1.8669 | |
| 29 | K | A | -0.0778 | |
| 30 | P | A | -0.2641 | |
| 31 | W | A | 0.5829 | |
| 32 | R | A | -0.5779 | |
| 33 | Y | A | 1.2475 | |
| 34 | F | A | 2.0293 | |
| 35 | S | A | 0.2781 | |
| 36 | R | A | -0.7007 | |
| 37 | F | A | 0.2611 | |
| 38 | R | A | -1.4832 | |
| 39 | S | A | -1.1047 | |
| 40 | S | A | -1.0646 | |
| 41 | S | A | -0.8269 | |
| 42 | R | A | -1.0882 | |
| 43 | F | A | 0.8069 | |
| 44 | S | A | 0.3644 | |
| 45 | S | A | 0.5499 | |
| 46 | T | A | 0.4949 | |
| 47 | F | A | 1.3418 | |
| 48 | K | A | -0.2028 | |
| 49 | V | A | 0.9127 | |
| 50 | G | A | -0.5913 | |
| 51 | D | A | -1.5755 | |
| 52 | L | A | -0.2188 | |
| 53 | Q | A | -1.7475 | |
| 54 | R | A | -1.7686 | |
| 55 | P | A | -0.1234 | |
| 56 | L | A | 1.5657 | |
| 57 | I | A | 1.7926 | |
| 58 | S | A | -0.2329 | |
| 59 | D | A | -2.3499 | |
| 60 | D | A | -3.0839 | |
| 61 | G | A | -1.8695 | |
| 62 | N | A | -0.7275 | |
| 63 | L | A | 1.5846 | |
| 64 | I | A | 1.7964 | |
| 65 | Q | A | -0.3408 | |
| 66 | G | A | -1.1896 | |
| 67 | Q | A | -1.7564 | |
| 68 | T | A | -1.2654 | |
| 69 | S | A | -1.0169 | |
| 70 | E | A | -0.9927 | |
| 71 | V | A | 0.3084 | |
| 72 | T | A | -0.9211 | |
| 73 | R | A | -2.0710 | |
| 74 | E | A | -2.4800 | |
| 75 | Y | A | -0.5643 | |
| 76 | D | A | -1.1722 | |
| 77 | L | A | -0.0240 | |
| 78 | E | A | -1.6586 | |
| 79 | G | A | -0.8928 | |
| 80 | A | A | 0.0996 | |
| 81 | C | A | 1.0422 | |
| 82 | Y | A | 0.8349 | |
| 83 | Q | A | -1.4477 | |
| 84 | N | A | -2.5617 | |
| 85 | D | A | -2.5473 | |
| 86 | G | A | -0.5394 | |
| 87 | L | A | 1.4774 | |
| 88 | L | A | 1.6800 | |
| 89 | H | A | -0.0560 | |
| 90 | S | A | -0.1776 | |
| 91 | S | A | 0.2310 | |
| 92 | L | A | 0.9953 | |
| 93 | T | A | -0.3031 | |
| 94 | E | A | -2.1732 | |
| 95 | G | A | -1.9630 | |
| 96 | R | A | -1.2485 | |
| 97 | F | A | 1.3447 | |
| 98 | Y | A | 1.0731 | |
| 99 | K | A | -1.2064 | |
| 100 | Q | A | -2.0935 | |
| 101 | R | A | -2.0271 | |
| 102 | L | A | 0.2203 | |
| 103 | P | A | -0.0446 | |
| 104 | S | A | -0.1250 | |
| 105 | S | A | -0.5235 | |
| 106 | S | A | -0.6696 | |
| 107 | P | A | -0.4713 | |
| 108 | H | A | -0.2656 | |
| 109 | F | A | 1.0396 | |
| 110 | S | A | -0.1486 | |
| 111 | Q | A | -1.4820 | |
| 112 | G | A | -1.9852 | |
| 113 | E | A | -2.0263 | |
| 114 | S | A | 0.0518 | |
| 115 | F | A | 2.6535 | |
| 116 | V | A | 2.9632 | |
| 117 | L | A | 2.3202 | |
| 118 | E | A | 0.6596 | |
| 119 | V | A | 2.1690 | |
| 120 | I | A | 1.9633 | |
| 121 | S | A | -0.1008 | |
| 122 | E | A | -1.8619 | |
| 123 | P | A | -1.8023 | |
| 124 | S | A | -1.8761 | |
| 125 | D | A | -2.5664 | |
| 126 | N | A | -1.8486 | |
| 127 | A | A | 0.1916 | |
| 128 | L | A | 1.7080 | |
| 129 | V | A | 2.0575 | |
| 130 | G | A | 0.3492 | |
| 131 | Q | A | -0.7318 | |
| 132 | T | A | -0.2869 | |
| 133 | L | A | 0.7133 | |
| 134 | K | A | -0.3903 | |
| 135 | L | A | 0.7981 | |
| 136 | P | A | -0.3649 | |
| 137 | A | A | -1.2309 | |
| 138 | E | A | -2.6467 | |
| 139 | K | A | -2.8706 | |
| 140 | G | A | -1.4985 | |
| 141 | S | A | -0.2894 | |
| 142 | L | A | 0.9842 | |
| 143 | A | A | 0.2707 | |
| 144 | E | A | -0.8105 | |
| 145 | V | A | 0.2205 | |
| 146 | Q | A | -0.4323 | |
| 147 | T | A | -0.0215 | |
| 148 | Y | A | 0.4205 | |
| 149 | D | A | -0.8754 | |
| 150 | W | A | -0.3979 | |
| 151 | Q | A | -2.2024 | |
| 152 | N | A | -2.8487 | |
| 153 | N | A | -3.7622 | |
| 154 | R | A | -4.0469 | |
| 155 | N | A | -3.7014 | |
| 156 | E | A | -3.3121 | |
| 157 | N | A | -2.3805 | |
| 158 | L | A | -0.3471 | |
| 159 | Q | A | -1.0482 | |
| 160 | Y | A | -0.4823 | |
| 161 | N | A | -1.8704 | |
| 162 | L | A | -1.3453 | |
| 163 | E | A | -2.9833 | |
| 164 | K | A | -2.9632 | |
| 165 | D | A | -3.1945 | |
| 166 | R | A | -2.4974 | |
| 167 | L | A | 0.2402 | |
| 168 | I | A | 0.9116 | |
| 169 | N | A | -0.0944 | |
| 170 | L | A | 1.1760 | |
| 171 | S | A | 0.2637 | |
| 172 | P | A | -0.4443 | |
| 173 | R | A | -0.9499 | |
| 174 | L | A | 0.5446 | |
| 175 | V | A | 0.4268 | |
| 176 | E | A | -2.1632 | |
| 177 | D | A | -2.9546 | |
| 178 | Q | A | -2.8909 | |
| 179 | R | A | -2.7550 | |
| 180 | S | A | 0.0000 | |
| 181 | W | A | -0.5538 | |
| 182 | L | A | 0.0000 | |
| 183 | F | A | -0.3098 | |
| 184 | L | A | 0.0000 | |
| 185 | E | A | -0.5156 | |
| 186 | V | A | 0.0000 | |
| 187 | I | A | 1.0748 | |
| 188 | A | A | 0.6199 | |
| 189 | G | A | 0.0051 | |
| 190 | P | A | -0.1777 | |
| 191 | A | A | 0.0000 | |
| 192 | I | A | 1.6872 | |
| 193 | G | A | 0.3357 | |
| 194 | L | A | 0.3994 | |
| 195 | Q | A | -0.5675 | |
| 196 | H | A | -0.4531 | |
| 197 | A | A | -0.3694 | |
| 198 | V | A | 0.0000 | |
| 199 | N | A | 0.0000 | |
| 200 | S | A | 0.0000 | |
| 201 | T | A | -0.5812 | |
| 202 | S | A | -0.5493 | |
| 203 | S | A | -0.6354 | |
| 204 | S | A | -0.8316 | |
| 205 | K | A | -1.3911 | |
| 206 | L | A | -0.6561 | |
| 207 | P | A | -0.5503 | |
| 208 | V | A | 0.0000 | |
| 209 | K | A | -1.1743 | |
| 210 | L | A | 0.0000 | |
| 211 | G | A | 0.0000 | |
| 212 | R | A | -1.6591 | |
| 213 | V | A | -0.0853 | |
| 214 | S | A | -0.3249 | |
| 215 | P | A | -0.6437 | |
| 216 | S | A | -0.9120 | |
| 217 | D | A | -1.0752 | |
| 218 | L | A | 0.0000 | |
| 219 | A | A | -0.8206 | |
| 220 | L | A | 0.0000 | |
| 221 | K | A | -1.7908 | |
| 222 | D | A | 0.0000 | |
| 223 | S | A | -1.1923 | |
| 224 | E | A | -1.0355 | |
| 225 | V | A | 0.0000 | |
| 226 | S | A | -0.7604 | |
| 227 | G | A | -1.0155 | |
| 228 | K | A | -1.6820 | |
| 229 | H | A | 0.0000 | |
| 230 | A | A | 0.0000 | |
| 231 | Q | A | -0.5370 | |
| 232 | I | A | 0.0000 | |
| 233 | T | A | -0.6178 | |
| 234 | W | A | -0.7952 | |
| 235 | N | A | -1.1916 | |
| 236 | S | A | -1.0531 | |
| 237 | T | A | -0.9777 | |
| 238 | K | A | -2.1275 | |
| 239 | F | A | -1.3386 | |
| 240 | K | A | -2.1285 | |
| 241 | W | A | 0.0000 | |
| 242 | E | A | 0.0000 | |
| 243 | L | A | 0.0000 | |
| 244 | V | A | 0.0000 | |
| 245 | D | A | 0.0000 | |
| 246 | M | A | -0.7298 | |
| 247 | G | A | 0.0000 | |
| 248 | S | A | -0.5105 | |
| 249 | L | A | 0.7085 | |
| 250 | N | A | 0.1396 | |
| 251 | G | A | 0.0348 | |
| 252 | T | A | 0.0000 | |
| 253 | L | A | -0.4489 | |
| 254 | V | A | 0.0000 | |
| 255 | N | A | -1.3880 | |
| 256 | S | A | -0.9630 | |
| 257 | H | A | -1.3075 | |
| 258 | S | A | -0.7341 | |
| 259 | I | A | -0.3608 | |
| 260 | S | A | -0.8061 | |
| 261 | H | A | -1.4952 | |
| 262 | P | A | -1.1478 | |
| 263 | D | A | -1.9424 | |
| 264 | L | A | -0.0897 | |
| 265 | G | A | -0.8907 | |
| 266 | S | A | -1.6017 | |
| 267 | R | A | -2.3537 | |
| 268 | K | A | -2.5278 | |
| 269 | W | A | -0.6632 | |
| 270 | G | A | -1.1705 | |
| 271 | N | A | -1.5006 | |
| 272 | P | A | -0.9705 | |
| 273 | V | A | -1.1117 | |
| 274 | E | A | -2.2861 | |
| 275 | L | A | 0.0000 | |
| 276 | A | A | -1.0992 | |
| 277 | S | A | -1.0958 | |
| 278 | D | A | -2.0296 | |
| 279 | D | A | 0.0000 | |
| 280 | I | A | -0.5279 | |
| 281 | I | A | 0.0000 | |
| 282 | T | A | -0.4518 | |
| 283 | L | A | 0.0000 | |
| 284 | G | A | 0.0000 | |
| 285 | T | A | -0.5004 | |
| 286 | T | A | -0.5835 | |
| 287 | T | A | 0.0000 | |
| 288 | K | A | -0.3530 | |
| 289 | V | A | 0.0000 | |
| 290 | Y | A | -0.6644 | |
| 291 | V | A | 0.0000 | |
| 292 | R | A | -1.3603 | |
| 293 | I | A | -0.5497 | |
| 294 | S | A | 0.0000 | |
| 295 | S | A | -2.2284 | |
| 296 | Q | A | -2.6517 | |
| 297 | N | A | -3.4025 | |
| 298 | E | A | -2.9670 | |
| 299 | F | A | 0.0000 | |
| 300 | Q | A | -1.8414 | |
| 301 | I | A | -0.5279 | |
| 302 | P | A | -0.5320 | |
| 303 | F | A | 0.0000 | |
| 304 | K | A | -1.0342 | |
| 305 | I | A | -0.1859 | |
| 306 | G | A | 0.0000 | |
| 307 | V | A | -0.0385 | |
| 308 | A | A | 0.0000 | |
| 309 | S | A | -0.1594 | |
| 310 | D | A | -0.7803 | |
| 311 | P | A | -0.5754 | |
| 312 | M | A | 0.0000 | |
| 313 | A | A | -1.8903 | |
| 314 | M | A | -1.7304 | |
| 315 | R | A | -3.3922 | |
| 316 | R | A | -3.2419 | |
| 317 | G | A | -2.5255 | |
| 318 | G | A | -2.4509 | |
| 319 | R | A | -3.2248 | |
| 320 | K | A | -2.2476 | |
| 321 | L | A | -1.2784 | |
| 322 | P | A | -0.5579 | |
| 323 | M | A | -0.1725 | |
| 324 | E | A | -0.5944 | |
| 325 | D | A | 0.0000 | |
| 326 | V | A | -0.0452 | |
| 327 | C | A | 0.3092 | |
| 328 | H | A | -0.0206 | |
| 329 | Y | A | 0.5234 | |
| 330 | K | A | -0.1897 | |
| 331 | W | A | 0.0000 | |
| 332 | P | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | P | A | -1.2614 | |
| 335 | G | A | -1.5802 | |
| 336 | A | A | 0.0000 | |
| 337 | N | A | -1.6983 | |
| 338 | K | A | -1.7306 | |
| 339 | F | A | 0.0000 | |
| 340 | G | A | 0.0000 | |
| 341 | L | A | 0.0000 | |
| 342 | F | A | 0.0000 | |
| 343 | C | A | 0.0000 | |
| 344 | V | A | 0.0000 | |
| 345 | C | A | 0.0000 | |
| 346 | D | A | -0.4398 | |
| 347 | G | A | 0.0000 | |
| 348 | H | A | -0.5864 | |
| 349 | G | A | -0.6552 | |
| 350 | G | A | -0.6663 | |
| 351 | S | A | -0.8121 | |
| 352 | G | A | -0.9141 | |
| 353 | A | A | 0.0000 | |
| 354 | A | A | 0.0000 | |
| 355 | Q | A | -1.3443 | |
| 356 | S | A | -1.3575 | |
| 357 | A | A | 0.0000 | |
| 358 | I | A | -0.9570 | |
| 359 | K | A | -2.1500 | |
| 360 | I | A | -1.6959 | |
| 361 | I | A | 0.0000 | |
| 362 | P | A | -1.4303 | |
| 363 | E | A | -2.5411 | |
| 364 | V | A | 0.0000 | |
| 365 | L | A | 0.0000 | |
| 366 | A | A | 0.0000 | |
| 367 | N | A | -2.0696 | |
| 368 | I | A | 0.0000 | |
| 369 | L | A | 0.0000 | |
| 370 | S | A | -1.0816 | |
| 371 | D | A | -1.1227 | |
| 372 | S | A | -0.7567 | |
| 373 | L | A | -0.0205 | |
| 374 | R | A | -1.3358 | |
| 375 | K | A | -1.7147 | |
| 376 | E | A | -2.7401 | |
| 377 | K | A | -2.4622 | |
| 378 | V | A | 0.0000 | |
| 379 | L | A | 0.0000 | |
| 380 | S | A | -2.4794 | |
| 381 | K | A | -2.8898 | |
| 382 | R | A | -2.7218 | |
| 383 | D | A | -2.1499 | |
| 384 | A | A | 0.0000 | |
| 385 | S | A | -1.3127 | |
| 386 | D | A | -1.6238 | |
| 387 | V | A | 0.0000 | |
| 388 | L | A | 0.0000 | |
| 389 | R | A | -2.3398 | |
| 390 | D | A | -2.3193 | |
| 391 | M | A | 0.0000 | |
| 392 | F | A | 0.0000 | |
| 393 | A | A | -1.6480 | |
| 394 | K | A | -1.6156 | |
| 395 | T | A | 0.0000 | |
| 396 | E | A | -1.5831 | |
| 397 | A | A | -1.7461 | |
| 398 | R | A | -2.6659 | |
| 399 | L | A | 0.0000 | |
| 400 | E | A | -3.2752 | |
| 401 | E | A | -3.0691 | |
| 402 | H | A | 0.0000 | |
| 403 | Q | A | -0.9401 | |
| 404 | Y | A | 0.5423 | |
| 405 | E | A | -0.5986 | |
| 406 | G | A | 0.0000 | |
| 407 | C | A | 0.0000 | |
| 408 | T | A | 0.0000 | |
| 409 | A | A | 0.0000 | |
| 410 | T | A | 0.0000 | |
| 411 | V | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | L | A | 0.0000 | |
| 414 | V | A | 0.0000 | |
| 415 | W | A | 0.0000 | |
| 416 | K | A | -2.1200 | |
| 417 | D | A | 0.0000 | |
| 418 | N | A | -3.1691 | |
| 419 | E | A | -3.3852 | |
| 420 | E | A | -3.5391 | |
| 421 | N | A | -2.7100 | |
| 422 | F | A | -1.8055 | |
| 423 | F | A | 0.0000 | |
| 424 | A | A | 0.0000 | |
| 425 | Q | A | 0.0000 | |
| 426 | C | A | 0.0000 | |
| 427 | A | A | 0.0000 | |
| 428 | N | A | 0.0000 | |
| 429 | L | A | 0.0000 | |
| 430 | G | A | 0.0000 | |
| 431 | D | A | 0.0000 | |
| 432 | S | A | 0.0000 | |
| 433 | A | A | -0.5804 | |
| 434 | C | A | 0.0000 | |
| 435 | V | A | 0.0000 | |
| 436 | I | A | 0.0000 | |
| 437 | H | A | 0.0000 | |
| 438 | L | A | -1.2894 | |
| 439 | G | A | -1.5284 | |
| 440 | G | A | -1.7516 | |
| 441 | R | A | -2.2232 | |
| 442 | Y | A | -1.2581 | |
| 443 | I | A | -0.8494 | |
| 444 | Q | A | -1.5303 | |
| 445 | M | A | 0.0000 | |
| 446 | T | A | -1.0729 | |
| 447 | E | A | -1.3631 | |
| 448 | D | A | -1.1381 | |
| 449 | H | A | 0.0000 | |
| 450 | R | A | -0.5496 | |
| 451 | V | A | 0.0000 | |
| 452 | V | A | 0.6775 | |
| 453 | S | A | 0.3491 | |
| 454 | L | A | 0.8958 | |
| 455 | S | A | -0.3642 | |
| 456 | E | A | 0.0000 | |
| 457 | R | A | -0.9942 | |
| 458 | K | A | -2.3773 | |
| 459 | R | A | -2.0157 | |
| 460 | F | A | 0.0000 | |
| 461 | Q | A | -2.7299 | |
| 462 | E | A | -2.9809 | |
| 463 | A | A | -1.6246 | |
| 464 | G | A | -1.2758 | |
| 465 | L | A | -0.6985 | |
| 466 | A | A | -1.5532 | |
| 467 | L | A | -1.7263 | |
| 468 | R | A | -2.7490 | |
| 469 | D | A | -2.9466 | |
| 470 | G | A | -1.9912 | |
| 471 | E | A | -1.9394 | |
| 472 | T | A | -1.4687 | |
| 473 | R | A | -1.5372 | |
| 474 | L | A | 0.0000 | |
| 475 | F | A | 1.1961 | |
| 476 | G | A | -0.1009 | |
| 477 | I | A | -0.3091 | |
| 478 | N | A | -0.7069 | |
| 479 | L | A | 0.0000 | |
| 480 | A | A | 0.0000 | |
| 481 | R | A | -0.8075 | |
| 482 | M | A | 0.0000 | |
| 483 | L | A | 0.0000 | |
| 484 | G | A | 0.0000 | |
| 485 | D | A | 0.0000 | |
| 486 | K | A | -1.0297 | |
| 487 | F | A | -0.0117 | |
| 488 | P | A | 0.0000 | |
| 489 | K | A | -1.0634 | |
| 490 | Q | A | -1.5863 | |
| 491 | Q | A | -1.1476 | |
| 492 | D | A | 0.0000 | |
| 493 | S | A | -0.7382 | |
| 494 | R | A | -0.5990 | |
| 495 | F | A | 0.0000 | |
| 496 | S | A | 0.0000 | |
| 497 | A | A | -1.0987 | |
| 498 | E | A | -2.0985 | |
| 499 | P | A | 0.0000 | |
| 500 | Y | A | -0.5791 | |
| 501 | I | A | -0.6332 | |
| 502 | S | A | 0.0000 | |
| 503 | E | A | -2.0274 | |
| 504 | P | A | -1.8091 | |
| 505 | L | A | -1.3837 | |
| 506 | R | A | -2.3583 | |
| 507 | I | A | 0.0000 | |
| 508 | D | A | -2.1199 | |
| 509 | Q | A | -2.3710 | |
| 510 | S | A | -1.4649 | |
| 511 | S | A | -2.0324 | |
| 512 | K | A | -2.5836 | |
| 513 | D | A | -1.6355 | |
| 514 | V | A | 0.0000 | |
| 515 | F | A | 0.0000 | |
| 516 | A | A | 0.0000 | |
| 517 | V | A | 0.0000 | |
| 518 | L | A | 0.0000 | |
| 519 | A | A | 0.0000 | |
| 520 | S | A | 0.0000 | |
| 521 | D | A | -0.9130 | |
| 522 | G | A | 0.0000 | |
| 523 | L | A | 0.0000 | |
| 524 | W | A | -0.8002 | |
| 525 | D | A | -1.8338 | |
| 526 | V | A | -1.1033 | |
| 527 | V | A | 0.0000 | |
| 528 | S | A | -1.3508 | |
| 529 | P | A | -1.3720 | |
| 530 | K | A | -2.7000 | |
| 531 | K | A | -2.0369 | |
| 532 | A | A | 0.0000 | |
| 533 | V | A | 0.0000 | |
| 534 | Q | A | -1.8580 | |
| 535 | L | A | -0.9605 | |
| 536 | V | A | 0.0000 | |
| 537 | L | A | -1.2009 | |
| 538 | Q | A | -1.9128 | |
| 539 | M | A | -1.8746 | |
| 540 | R | A | 0.0000 | |
| 541 | D | A | -3.4018 | |
| 542 | K | A | -3.5166 | |
| 543 | E | A | 0.0000 | |
| 544 | R | A | -3.5645 | |
| 545 | G | A | -2.7284 | |
| 546 | R | A | -3.5208 | |
| 547 | E | A | -3.0411 | |
| 548 | S | A | -2.3402 | |
| 549 | S | A | -2.5421 | |
| 550 | A | A | 0.0000 | |
| 551 | E | A | -2.1035 | |
| 552 | K | A | -1.8523 | |
| 553 | I | A | 0.0000 | |
| 554 | A | A | 0.0000 | |
| 555 | N | A | -1.7834 | |
| 556 | G | A | -1.4440 | |
| 557 | L | A | 0.0000 | |
| 558 | L | A | 0.0000 | |
| 559 | N | A | -2.0563 | |
| 560 | E | A | -1.4567 | |
| 561 | A | A | 0.0000 | |
| 562 | R | A | -2.4493 | |
| 563 | A | A | -1.2527 | |
| 564 | M | A | -1.2963 | |
| 565 | R | A | -2.6435 | |
| 566 | T | A | 0.0000 | |
| 567 | K | A | -2.8410 | |
| 568 | D | A | -2.2256 | |
| 569 | N | A | 0.0000 | |
| 570 | T | A | 0.0000 | |
| 571 | S | A | 0.0000 | |
| 572 | I | A | 0.0000 | |
| 573 | I | A | 0.0000 | |
| 574 | Y | A | 0.0000 | |
| 575 | L | A | 0.0000 | |
| 576 | D | A | 0.0000 | |
| 577 | F | A | 0.0000 | |
| 578 | D | A | -0.9030 | |
| 579 | T | A | -0.2064 | |
| 580 | S | A | 0.2010 | |
| 581 | L | A | 0.3517 |
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 | -0.4176 | 8.0245 | View | CSV | PDB |
| 4.5 | -0.4805 | 8.0245 | View | CSV | PDB |
| 5.0 | -0.5594 | 8.0245 | View | CSV | PDB |
| 5.5 | -0.6399 | 8.0245 | View | CSV | PDB |
| 6.0 | -0.7057 | 8.0245 | View | CSV | PDB |
| 6.5 | -0.7439 | 8.0245 | View | CSV | PDB |
| 7.0 | -0.7524 | 8.0245 | View | CSV | PDB |
| 7.5 | -0.7403 | 8.0245 | View | CSV | PDB |
| 8.0 | -0.7169 | 8.0245 | View | CSV | PDB |
| 8.5 | -0.6857 | 8.0806 | View | CSV | PDB |
| 9.0 | -0.6466 | 8.2352 | 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