| Chain sequence(s) |
A: MTPKKILRRPQPDNTPGWGQDLPPILRRLYSARGVTSDAQLSYTLKHLASPFELRGIDRAVELLADAIAQNQRVLVLGDFDADGATSTAVAMLGLSMLGLKSIDFRVPSRFADGYGLTPGIIERLQDEGELPDLLVTVDNGISAIEGVSAAKKLGIKVVVTDHHLAGEMLPDADAIVNPNQPGCAFLSKNAAGVGVMFYVLTALRKKLRDAGRLPQPEPNLGNLLDLVALGTVADVVPLDHNNRIFVEQGLRRIRQGEARPGILALLEVAGREHGNISSTDLGFVVGPRLNAAGRLDDMSVGIACLLADSPDEARRLARELDTFNRERRTIEKDMKTQAQDLLASMSLDLEGLPWGLALFDKDWHQGVIGILAARIREQTHRPTIAFAPDENGVDIKGSARSIPGLHIRDVLAVVDARHPGVMHKYGGHAMAAGMTLAQSDLDTFSDAFDQAVRDTLTAADLEAAITTDGPLSADELSLETAALLKRAGPWGQHFPEPLFDGEFRVVSQRIVGENHLKLVLQPVDGSGIIDGIAFNTGPEVPDYTRTGARVVYKPDSNTFRGRTNLQLLVDYLEPLS
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] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:16:51)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ceee3fefc683368/tmp/folded.pdb (00:16:51)
[INFO] Main: Simulation completed successfully. (00:26:01)
|
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 | -0.0270 | |
| 2 | T | A | -0.2981 | |
| 3 | P | A | -0.9388 | |
| 4 | K | A | -1.4834 | |
| 5 | K | A | -1.8941 | |
| 6 | I | A | -0.6157 | |
| 7 | L | A | -0.5641 | |
| 8 | R | A | -2.1007 | |
| 9 | R | A | -1.9091 | |
| 10 | P | A | -1.8368 | |
| 11 | Q | A | -2.5248 | |
| 12 | P | A | -2.2399 | |
| 13 | D | A | -2.8103 | |
| 14 | N | A | -2.4379 | |
| 15 | T | A | -1.5209 | |
| 16 | P | A | -1.2835 | |
| 17 | G | A | -1.1654 | |
| 18 | W | A | 0.0000 | |
| 19 | G | A | 0.0000 | |
| 20 | Q | A | -2.4138 | |
| 21 | D | A | -2.3224 | |
| 22 | L | A | -1.1924 | |
| 23 | P | A | -0.7705 | |
| 24 | P | A | -0.8850 | |
| 25 | I | A | 0.0000 | |
| 26 | L | A | 0.0000 | |
| 27 | R | A | -1.1494 | |
| 28 | R | A | -1.0426 | |
| 29 | L | A | 0.0000 | |
| 30 | Y | A | 0.0000 | |
| 31 | S | A | -0.8001 | |
| 32 | A | A | -0.9393 | |
| 33 | R | A | -0.8247 | |
| 34 | G | A | -0.7551 | |
| 35 | V | A | 0.0000 | |
| 36 | T | A | -0.8198 | |
| 37 | S | A | -1.2462 | |
| 38 | D | A | -2.1167 | |
| 39 | A | A | -1.1166 | |
| 40 | Q | A | -1.1548 | |
| 41 | L | A | -0.5982 | |
| 42 | S | A | -0.6755 | |
| 43 | Y | A | -0.2019 | |
| 44 | T | A | -0.3578 | |
| 45 | L | A | -0.3586 | |
| 46 | K | A | -1.6094 | |
| 47 | H | A | -1.1592 | |
| 48 | L | A | -0.4225 | |
| 49 | A | A | -0.0874 | |
| 50 | S | A | -0.2299 | |
| 51 | P | A | -0.4057 | |
| 52 | F | A | -0.3628 | |
| 53 | E | A | -1.1773 | |
| 54 | L | A | 0.0000 | |
| 55 | R | A | -2.3234 | |
| 56 | G | A | -1.9003 | |
| 57 | I | A | 0.0000 | |
| 58 | D | A | -3.2434 | |
| 59 | R | A | -3.0751 | |
| 60 | A | A | 0.0000 | |
| 61 | V | A | 0.0000 | |
| 62 | E | A | -3.2266 | |
| 63 | L | A | -1.9731 | |
| 64 | L | A | 0.0000 | |
| 65 | A | A | -1.9976 | |
| 66 | D | A | -2.4438 | |
| 67 | A | A | 0.0000 | |
| 68 | I | A | -1.6067 | |
| 69 | A | A | -1.6594 | |
| 70 | Q | A | -2.3021 | |
| 71 | N | A | -2.7268 | |
| 72 | Q | A | -2.5660 | |
| 73 | R | A | -2.8198 | |
| 74 | V | A | 0.0000 | |
| 75 | L | A | 0.0000 | |
| 76 | V | A | 0.0000 | |
| 77 | L | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | D | A | -0.0720 | |
| 80 | F | A | -0.5589 | |
| 81 | D | A | -0.7578 | |
| 82 | A | A | 0.0000 | |
| 83 | D | A | 0.0000 | |
| 84 | G | A | 0.0000 | |
| 85 | A | A | 0.0000 | |
| 86 | T | A | 0.0000 | |
| 87 | S | A | 0.0000 | |
| 88 | T | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | V | A | 0.0000 | |
| 91 | A | A | 0.0000 | |
| 92 | M | A | 0.0550 | |
| 93 | L | A | 0.2686 | |
| 94 | G | A | 0.0000 | |
| 95 | L | A | 0.0000 | |
| 96 | S | A | -0.3291 | |
| 97 | M | A | -0.4838 | |
| 98 | L | A | 0.0000 | |
| 99 | G | A | -0.9167 | |
| 100 | L | A | 0.0000 | |
| 101 | K | A | -2.3505 | |
| 102 | S | A | -1.9276 | |
| 103 | I | A | -1.4488 | |
| 104 | D | A | -2.1018 | |
| 105 | F | A | -0.6629 | |
| 106 | R | A | -0.6180 | |
| 107 | V | A | -0.1862 | |
| 108 | P | A | 0.0000 | |
| 109 | S | A | -0.5801 | |
| 110 | R | A | -0.4631 | |
| 111 | F | A | -0.6002 | |
| 112 | A | A | -0.4312 | |
| 113 | D | A | -0.0423 | |
| 114 | G | A | 0.3465 | |
| 115 | Y | A | 1.1067 | |
| 116 | G | A | 0.4553 | |
| 117 | L | A | 0.0000 | |
| 118 | T | A | -0.6073 | |
| 119 | P | A | -1.2513 | |
| 120 | G | A | -1.4481 | |
| 121 | I | A | 0.0000 | |
| 122 | I | A | 0.0000 | |
| 123 | E | A | -3.2764 | |
| 124 | R | A | -3.2917 | |
| 125 | L | A | 0.0000 | |
| 126 | Q | A | -3.2965 | |
| 127 | D | A | -3.8905 | |
| 128 | E | A | -3.4479 | |
| 129 | G | A | -2.8341 | |
| 130 | E | A | -3.0367 | |
| 131 | L | A | -1.9309 | |
| 132 | P | A | 0.0000 | |
| 133 | D | A | -1.9403 | |
| 134 | L | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | V | A | 0.0000 | |
| 137 | T | A | 0.0000 | |
| 138 | V | A | 0.0000 | |
| 139 | D | A | 0.0000 | |
| 140 | N | A | 0.0000 | |
| 141 | G | A | 0.0000 | |
| 142 | I | A | 0.0000 | |
| 143 | S | A | -0.2041 | |
| 144 | A | A | 0.0000 | |
| 145 | I | A | -0.7104 | |
| 146 | E | A | -1.9823 | |
| 147 | G | A | 0.0000 | |
| 148 | V | A | 0.0000 | |
| 149 | S | A | -1.5832 | |
| 150 | A | A | -1.3975 | |
| 151 | A | A | 0.0000 | |
| 152 | K | A | -2.0742 | |
| 153 | K | A | -1.8118 | |
| 154 | L | A | -0.6109 | |
| 155 | G | A | -1.1302 | |
| 156 | I | A | 0.0000 | |
| 157 | K | A | -1.5189 | |
| 158 | V | A | 0.0000 | |
| 159 | V | A | 0.0000 | |
| 160 | V | A | 0.0000 | |
| 161 | T | A | 0.0000 | |
| 162 | D | A | 0.0000 | |
| 163 | H | A | 0.0000 | |
| 164 | H | A | -0.2788 | |
| 165 | L | A | 0.1983 | |
| 166 | A | A | -0.1952 | |
| 167 | G | A | -0.6485 | |
| 168 | E | A | -1.4835 | |
| 169 | M | A | -0.1583 | |
| 170 | L | A | -0.1113 | |
| 171 | P | A | 0.0000 | |
| 172 | D | A | -1.9191 | |
| 173 | A | A | -1.1840 | |
| 174 | D | A | -1.2315 | |
| 175 | A | A | 0.0000 | |
| 176 | I | A | 0.0000 | |
| 177 | V | A | 0.0000 | |
| 178 | N | A | 0.0000 | |
| 179 | P | A | 0.0000 | |
| 180 | N | A | -0.6128 | |
| 181 | Q | A | 0.0000 | |
| 182 | P | A | -0.7703 | |
| 183 | G | A | -0.9428 | |
| 184 | C | A | 0.0000 | |
| 185 | A | A | -0.3877 | |
| 186 | F | A | 0.0000 | |
| 187 | L | A | 1.0063 | |
| 188 | S | A | 0.0000 | |
| 189 | K | A | -0.7608 | |
| 190 | N | A | -0.6304 | |
| 191 | A | A | 0.0000 | |
| 192 | A | A | 0.0000 | |
| 193 | G | A | 0.0000 | |
| 194 | V | A | 0.0000 | |
| 195 | G | A | 0.0000 | |
| 196 | V | A | 0.0000 | |
| 197 | M | A | 0.0000 | |
| 198 | F | A | 0.0000 | |
| 199 | Y | A | 0.0000 | |
| 200 | V | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | T | A | -0.6352 | |
| 203 | A | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | R | A | -2.4669 | |
| 206 | K | A | -3.0871 | |
| 207 | K | A | -3.4380 | |
| 208 | L | A | 0.0000 | |
| 209 | R | A | -4.2401 | |
| 210 | D | A | -3.6843 | |
| 211 | A | A | -2.4625 | |
| 212 | G | A | -2.4992 | |
| 213 | R | A | -2.9031 | |
| 214 | L | A | -2.6708 | |
| 215 | P | A | -1.8586 | |
| 216 | Q | A | -2.2106 | |
| 217 | P | A | -2.0354 | |
| 218 | E | A | -3.0969 | |
| 219 | P | A | -2.0078 | |
| 220 | N | A | -2.1347 | |
| 221 | L | A | 0.0000 | |
| 222 | G | A | -1.0920 | |
| 223 | N | A | -1.9958 | |
| 224 | L | A | 0.0000 | |
| 225 | L | A | 0.0000 | |
| 226 | D | A | 0.0000 | |
| 227 | L | A | 0.0000 | |
| 228 | V | A | 0.0000 | |
| 229 | A | A | 0.0000 | |
| 230 | L | A | 0.0000 | |
| 231 | G | A | 0.0000 | |
| 232 | T | A | 0.0000 | |
| 233 | V | A | 0.7228 | |
| 234 | A | A | 0.6731 | |
| 235 | D | A | 0.3883 | |
| 236 | V | A | 1.2630 | |
| 237 | V | A | 0.0000 | |
| 238 | P | A | -0.6332 | |
| 239 | L | A | 0.0000 | |
| 240 | D | A | -1.1227 | |
| 241 | H | A | -0.5801 | |
| 242 | N | A | 0.0000 | |
| 243 | N | A | 0.0000 | |
| 244 | R | A | 0.0000 | |
| 245 | I | A | 0.0000 | |
| 246 | F | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | E | A | -0.7707 | |
| 249 | Q | A | -0.8458 | |
| 250 | G | A | 0.0000 | |
| 251 | L | A | 0.0000 | |
| 252 | R | A | -3.1322 | |
| 253 | R | A | -2.9253 | |
| 254 | I | A | 0.0000 | |
| 255 | R | A | -3.1129 | |
| 256 | Q | A | -3.0246 | |
| 257 | G | A | -2.2845 | |
| 258 | E | A | -3.0069 | |
| 259 | A | A | -1.8440 | |
| 260 | R | A | -1.0893 | |
| 261 | P | A | -1.3053 | |
| 262 | G | A | 0.0000 | |
| 263 | I | A | 0.0000 | |
| 264 | L | A | -1.0282 | |
| 265 | A | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | L | A | 0.0000 | |
| 268 | E | A | -2.6018 | |
| 269 | V | A | -1.3584 | |
| 270 | A | A | -1.1375 | |
| 271 | G | A | -1.5599 | |
| 272 | R | A | -2.1867 | |
| 273 | E | A | -3.1666 | |
| 274 | H | A | -2.8732 | |
| 275 | G | A | -2.6110 | |
| 276 | N | A | -2.9003 | |
| 277 | I | A | 0.0000 | |
| 278 | S | A | -1.2091 | |
| 279 | S | A | 0.0000 | |
| 280 | T | A | 0.4878 | |
| 281 | D | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | G | A | 1.1670 | |
| 284 | F | A | 2.0153 | |
| 285 | V | A | 1.0986 | |
| 286 | V | A | 0.0000 | |
| 287 | G | A | 0.0000 | |
| 288 | P | A | 0.2182 | |
| 289 | R | A | -0.6274 | |
| 290 | L | A | 0.0000 | |
| 291 | N | A | -0.8323 | |
| 292 | A | A | 0.0000 | |
| 293 | A | A | 0.0000 | |
| 294 | G | A | 0.0000 | |
| 295 | R | A | -1.2045 | |
| 296 | L | A | -1.4118 | |
| 297 | D | A | -2.3170 | |
| 298 | D | A | -2.0600 | |
| 299 | M | A | 0.0000 | |
| 300 | S | A | -0.5732 | |
| 301 | V | A | -0.4311 | |
| 302 | G | A | 0.0000 | |
| 303 | I | A | 0.0000 | |
| 304 | A | A | -0.0935 | |
| 305 | C | A | 0.0000 | |
| 306 | L | A | 0.0000 | |
| 307 | L | A | -0.1276 | |
| 308 | A | A | -1.3736 | |
| 309 | D | A | -2.2526 | |
| 310 | S | A | -2.0450 | |
| 311 | P | A | -2.2642 | |
| 312 | D | A | -3.2722 | |
| 313 | E | A | -2.9720 | |
| 314 | A | A | 0.0000 | |
| 315 | R | A | -3.3212 | |
| 316 | R | A | -3.5626 | |
| 317 | L | A | 0.0000 | |
| 318 | A | A | 0.0000 | |
| 319 | R | A | -3.1519 | |
| 320 | E | A | -2.2936 | |
| 321 | L | A | 0.0000 | |
| 322 | D | A | 0.0000 | |
| 323 | T | A | -1.8890 | |
| 324 | F | A | -2.1042 | |
| 325 | N | A | -2.4223 | |
| 326 | R | A | -3.3376 | |
| 327 | E | A | -3.0926 | |
| 328 | R | A | -2.6123 | |
| 329 | R | A | -3.5550 | |
| 330 | T | A | -2.7234 | |
| 331 | I | A | -2.1260 | |
| 332 | E | A | 0.0000 | |
| 333 | K | A | -2.9156 | |
| 334 | D | A | -2.9422 | |
| 335 | M | A | 0.0000 | |
| 336 | K | A | -2.5329 | |
| 337 | T | A | -2.3050 | |
| 338 | Q | A | -2.4278 | |
| 339 | A | A | 0.0000 | |
| 340 | Q | A | -2.0164 | |
| 341 | D | A | -2.3094 | |
| 342 | L | A | -0.9495 | |
| 343 | L | A | 0.0000 | |
| 344 | A | A | -0.4599 | |
| 345 | S | A | -0.1285 | |
| 346 | M | A | 0.1781 | |
| 347 | S | A | 0.0930 | |
| 348 | L | A | 0.5423 | |
| 349 | D | A | -1.2670 | |
| 350 | L | A | -0.7235 | |
| 351 | E | A | -1.9475 | |
| 352 | G | A | -1.2309 | |
| 353 | L | A | 0.0000 | |
| 354 | P | A | -0.9120 | |
| 355 | W | A | -0.8087 | |
| 356 | G | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | A | A | -0.4157 | |
| 359 | L | A | 0.0000 | |
| 360 | F | A | -0.5829 | |
| 361 | D | A | -1.7825 | |
| 362 | K | A | -2.8875 | |
| 363 | D | A | -2.8665 | |
| 364 | W | A | 0.0000 | |
| 365 | H | A | -1.0753 | |
| 366 | Q | A | -0.8632 | |
| 367 | G | A | 0.0000 | |
| 368 | V | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | G | A | 0.0000 | |
| 371 | I | A | -0.4184 | |
| 372 | L | A | 0.0000 | |
| 373 | A | A | 0.0000 | |
| 374 | A | A | -1.2273 | |
| 375 | R | A | -2.1214 | |
| 376 | I | A | 0.0000 | |
| 377 | R | A | -1.8184 | |
| 378 | E | A | -2.6644 | |
| 379 | Q | A | -1.5421 | |
| 380 | T | A | 0.0000 | |
| 381 | H | A | -1.4743 | |
| 382 | R | A | 0.0000 | |
| 383 | P | A | 0.0000 | |
| 384 | T | A | 0.0000 | |
| 385 | I | A | 0.0000 | |
| 386 | A | A | 0.0000 | |
| 387 | F | A | 0.0000 | |
| 388 | A | A | 0.0000 | |
| 389 | P | A | -1.6901 | |
| 390 | D | A | -1.6779 | |
| 391 | E | A | -2.4354 | |
| 392 | N | A | -1.9680 | |
| 393 | G | A | -1.1917 | |
| 394 | V | A | 0.5580 | |
| 395 | D | A | -0.5614 | |
| 396 | I | A | 0.0000 | |
| 397 | K | A | -0.7691 | |
| 398 | G | A | 0.0000 | |
| 399 | S | A | 0.0000 | |
| 400 | A | A | 0.0000 | |
| 401 | R | A | -0.7168 | |
| 402 | S | A | 0.0000 | |
| 403 | I | A | 0.0000 | |
| 404 | P | A | -0.6034 | |
| 405 | G | A | -0.7854 | |
| 406 | L | A | 0.0000 | |
| 407 | H | A | -1.3143 | |
| 408 | I | A | 0.0000 | |
| 409 | R | A | -1.4522 | |
| 410 | D | A | -2.0791 | |
| 411 | V | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | A | A | -0.6043 | |
| 414 | V | A | 0.0473 | |
| 415 | V | A | 0.0000 | |
| 416 | D | A | -1.0565 | |
| 417 | A | A | -0.4049 | |
| 418 | R | A | -0.8623 | |
| 419 | H | A | -0.8571 | |
| 420 | P | A | -0.9357 | |
| 421 | G | A | -1.2333 | |
| 422 | V | A | -0.9738 | |
| 423 | M | A | 0.0000 | |
| 424 | H | A | -1.9321 | |
| 425 | K | A | -2.1630 | |
| 426 | Y | A | -0.9739 | |
| 427 | G | A | -0.6904 | |
| 428 | G | A | -0.6356 | |
| 429 | H | A | -0.7465 | |
| 430 | A | A | -0.6964 | |
| 431 | M | A | -0.0949 | |
| 432 | A | A | -0.2739 | |
| 433 | A | A | 0.0000 | |
| 434 | G | A | -0.3709 | |
| 435 | M | A | 0.0000 | |
| 436 | T | A | -0.9932 | |
| 437 | L | A | 0.0000 | |
| 438 | A | A | -0.2474 | |
| 439 | Q | A | -0.6630 | |
| 440 | S | A | -0.6296 | |
| 441 | D | A | -1.1686 | |
| 442 | L | A | -1.2946 | |
| 443 | D | A | -2.4139 | |
| 444 | T | A | -1.6225 | |
| 445 | F | A | 0.0000 | |
| 446 | S | A | -1.7990 | |
| 447 | D | A | -2.6223 | |
| 448 | A | A | 0.0000 | |
| 449 | F | A | 0.0000 | |
| 450 | D | A | -2.1255 | |
| 451 | Q | A | -2.7221 | |
| 452 | A | A | 0.0000 | |
| 453 | V | A | 0.0000 | |
| 454 | R | A | -3.1396 | |
| 455 | D | A | -3.0243 | |
| 456 | T | A | -1.8773 | |
| 457 | L | A | 0.0000 | |
| 458 | T | A | -1.1237 | |
| 459 | A | A | -0.7128 | |
| 460 | A | A | -0.7949 | |
| 461 | D | A | -1.3434 | |
| 462 | L | A | -1.3156 | |
| 463 | E | A | -2.3634 | |
| 464 | A | A | -1.8336 | |
| 465 | A | A | -0.9972 | |
| 466 | I | A | -0.4973 | |
| 467 | T | A | -0.5402 | |
| 468 | T | A | 0.0000 | |
| 469 | D | A | 0.0000 | |
| 470 | G | A | 0.0000 | |
| 471 | P | A | -0.5235 | |
| 472 | L | A | 0.0000 | |
| 473 | S | A | -1.0765 | |
| 474 | A | A | -1.3743 | |
| 475 | D | A | -2.1372 | |
| 476 | E | A | -1.4404 | |
| 477 | L | A | -0.8941 | |
| 478 | S | A | -1.0801 | |
| 479 | L | A | -0.8267 | |
| 480 | E | A | -1.7555 | |
| 481 | T | A | 0.0000 | |
| 482 | A | A | 0.0000 | |
| 483 | A | A | -1.1205 | |
| 484 | L | A | -0.8242 | |
| 485 | L | A | 0.0000 | |
| 486 | K | A | -1.9715 | |
| 487 | R | A | -2.2721 | |
| 488 | A | A | 0.0000 | |
| 489 | G | A | -0.9621 | |
| 490 | P | A | 0.0000 | |
| 491 | W | A | 0.0000 | |
| 492 | G | A | -0.6908 | |
| 493 | Q | A | -0.9977 | |
| 494 | H | A | -1.4869 | |
| 495 | F | A | 0.0000 | |
| 496 | P | A | -1.0386 | |
| 497 | E | A | -1.2173 | |
| 498 | P | A | 0.0000 | |
| 499 | L | A | -0.5333 | |
| 500 | F | A | 0.0000 | |
| 501 | D | A | 0.0000 | |
| 502 | G | A | -0.6834 | |
| 503 | E | A | -1.4448 | |
| 504 | F | A | 0.0000 | |
| 505 | R | A | -1.7805 | |
| 506 | V | A | 0.0000 | |
| 507 | V | A | 0.2489 | |
| 508 | S | A | -0.8490 | |
| 509 | Q | A | -0.9322 | |
| 510 | R | A | -1.6691 | |
| 511 | I | A | -0.8403 | |
| 512 | V | A | -0.3972 | |
| 513 | G | A | -1.3204 | |
| 514 | E | A | -2.1294 | |
| 515 | N | A | -1.7723 | |
| 516 | H | A | -0.8895 | |
| 517 | L | A | 0.0000 | |
| 518 | K | A | -0.6300 | |
| 519 | L | A | 0.0000 | |
| 520 | V | A | 0.0258 | |
| 521 | L | A | 0.0000 | |
| 522 | Q | A | -0.2714 | |
| 523 | P | A | -0.6908 | |
| 524 | V | A | -0.5394 | |
| 525 | D | A | -1.7271 | |
| 526 | G | A | -0.9113 | |
| 527 | S | A | -0.2497 | |
| 528 | G | A | 0.2782 | |
| 529 | I | A | 1.4271 | |
| 530 | I | A | 0.0000 | |
| 531 | D | A | -0.4986 | |
| 532 | G | A | 0.0000 | |
| 533 | I | A | 0.0000 | |
| 534 | A | A | 0.0000 | |
| 535 | F | A | 0.2595 | |
| 536 | N | A | -1.2231 | |
| 537 | T | A | 0.0000 | |
| 538 | G | A | -1.2307 | |
| 539 | P | A | -1.7778 | |
| 540 | E | A | -1.7322 | |
| 541 | V | A | -0.8310 | |
| 542 | P | A | -1.0879 | |
| 543 | D | A | -1.7935 | |
| 544 | Y | A | 0.0000 | |
| 545 | T | A | -1.4961 | |
| 546 | R | A | -2.3016 | |
| 547 | T | A | -1.5274 | |
| 548 | G | A | -1.4178 | |
| 549 | A | A | 0.0000 | |
| 550 | R | A | -0.9480 | |
| 551 | V | A | 0.0000 | |
| 552 | V | A | 0.0000 | |
| 553 | Y | A | 0.0000 | |
| 554 | K | A | -0.6961 | |
| 555 | P | A | 0.0000 | |
| 556 | D | A | -1.1098 | |
| 557 | S | A | -0.9591 | |
| 558 | N | A | -1.1724 | |
| 559 | T | A | -0.9008 | |
| 560 | F | A | -0.1021 | |
| 561 | R | A | -1.7746 | |
| 562 | G | A | -1.7170 | |
| 563 | R | A | -2.4508 | |
| 564 | T | A | -1.5957 | |
| 565 | N | A | -1.6823 | |
| 566 | L | A | -1.0073 | |
| 567 | Q | A | 0.0000 | |
| 568 | L | A | 0.0000 | |
| 569 | L | A | -0.2254 | |
| 570 | V | A | 0.0000 | |
| 571 | D | A | -1.4750 | |
| 572 | Y | A | 0.0000 | |
| 573 | L | A | 0.0000 | |
| 574 | E | A | -0.5606 | |
| 575 | P | A | -0.7797 | |
| 576 | L | A | -0.6329 | |
| 577 | S | A | -0.2619 |
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 | -0.5804 | 4.3855 | View | CSV | PDB |
| 4.5 | -0.6574 | 4.3855 | View | CSV | PDB |
| 5.0 | -0.7523 | 4.3855 | View | CSV | PDB |
| 5.5 | -0.8519 | 4.3855 | View | CSV | PDB |
| 6.0 | -0.9438 | 4.3855 | View | CSV | PDB |
| 6.5 | -1.0186 | 4.3855 | View | CSV | PDB |
| 7.0 | -1.074 | 4.3855 | View | CSV | PDB |
| 7.5 | -1.1153 | 4.3855 | View | CSV | PDB |
| 8.0 | -1.1474 | 4.3855 | View | CSV | PDB |
| 8.5 | -1.1706 | 4.3855 | View | CSV | PDB |
| 9.0 | -1.1815 | 4.3855 | 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