| Chain sequence(s) |
A: MVSKGEMVSKGEEDNMAIIKEFMRFKVHMEGSVNGHEFEIEGEGEGRPYEGTQTAKLKVTKGGPLPFAWDILSPQFMYGSKAYVKHPADIPDYLKLSFPEGFKWERVMNFEDGGVVTVTQDSSLQDGEFIYKVKLRGTNFPSDGPVMQKKTMGWEASSERMYPEDGALKGEIKQRLKLKDGGHYDAEVKTTYKAKKPVQLPGAYNVNIKLDITSHNEDYTIVEQYERAEGRHSTGGMDELYKAAAGGGGSGGGGSGGGGSMAQVQLVESGGGVVQPGRSLRLSCSSSGFIFSDNYMYWVRQAPGKGLEWVATISDGGSYTYYPDSVKGRFTISRDNSKNTLFLQMDSLRPEDTGVYFCARGYYRYEGAMDYWGQGTPVTVSSGGGGSGGGGSGGGGSDIQLTQSPSSLSASVGDRVTITCKSSQSVLYSSNQKNYLAWYQQKPGKAPKLLIYWASTRESGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCHQYLSSWTFGQGTKLEIK
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 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 (00:11:53)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/efa8319141f0ecf/tmp/folded.pdb (00:11:53)
[INFO] Main: Simulation completed successfully. (00:15:32)
|
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 | 1.6564 | |
| 2 | V | A | 1.6774 | |
| 3 | S | A | -0.2767 | |
| 4 | K | A | -1.8024 | |
| 5 | G | A | -1.4923 | |
| 6 | E | A | -1.7506 | |
| 7 | M | A | 0.3710 | |
| 8 | V | A | 0.4318 | |
| 9 | S | A | -1.2010 | |
| 10 | K | A | -2.5714 | |
| 11 | G | A | -2.1827 | |
| 12 | E | A | -2.0952 | |
| 13 | E | A | -2.9942 | |
| 14 | D | A | -3.0182 | |
| 15 | N | A | 0.0000 | |
| 16 | M | A | -1.0336 | |
| 17 | A | A | -0.8561 | |
| 18 | I | A | -0.3518 | |
| 19 | I | A | 0.0000 | |
| 20 | K | A | -1.8299 | |
| 21 | E | A | -2.2835 | |
| 22 | F | A | -1.5716 | |
| 23 | M | A | 0.0000 | |
| 24 | R | A | -2.0148 | |
| 25 | F | A | 0.0000 | |
| 26 | K | A | -3.0654 | |
| 27 | V | A | 0.0000 | |
| 28 | H | A | -2.3343 | |
| 29 | M | A | 0.0000 | |
| 30 | E | A | -2.6544 | |
| 31 | G | A | -2.2899 | |
| 32 | S | A | -2.4192 | |
| 33 | V | A | 0.0000 | |
| 34 | N | A | -1.9363 | |
| 35 | G | A | -1.8772 | |
| 36 | H | A | -1.9373 | |
| 37 | E | A | -2.9377 | |
| 38 | F | A | 0.0000 | |
| 39 | E | A | -2.3514 | |
| 40 | I | A | 0.0000 | |
| 41 | E | A | -3.1938 | |
| 42 | G | A | -2.8462 | |
| 43 | E | A | -3.4921 | |
| 44 | G | A | 0.0000 | |
| 45 | E | A | -1.6803 | |
| 46 | G | A | 0.0000 | |
| 47 | R | A | -1.9490 | |
| 48 | P | A | 0.0000 | |
| 49 | Y | A | -1.2159 | |
| 50 | E | A | -1.3388 | |
| 51 | G | A | 0.0000 | |
| 52 | T | A | 0.0000 | |
| 53 | Q | A | 0.0000 | |
| 54 | T | A | -1.1993 | |
| 55 | A | A | 0.0000 | |
| 56 | K | A | -2.6590 | |
| 57 | L | A | 0.0000 | |
| 58 | K | A | -2.2396 | |
| 59 | V | A | 0.0000 | |
| 60 | T | A | -1.5369 | |
| 61 | K | A | -2.1490 | |
| 62 | G | A | -1.5949 | |
| 63 | G | A | -1.3984 | |
| 64 | P | A | -0.9977 | |
| 65 | L | A | 0.0000 | |
| 66 | P | A | -0.7963 | |
| 67 | F | A | 0.0000 | |
| 68 | A | A | 0.0000 | |
| 69 | W | A | 0.0000 | |
| 70 | D | A | 0.0000 | |
| 71 | I | A | 0.0000 | |
| 72 | L | A | 0.0000 | |
| 73 | S | A | 0.0000 | |
| 74 | P | A | 0.0000 | |
| 75 | Q | A | 0.0000 | |
| 76 | F | A | 0.0000 | |
| 77 | M | A | 0.0000 | |
| 78 | Y | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | S | A | 0.0000 | |
| 81 | K | A | 0.0000 | |
| 82 | A | A | 0.0000 | |
| 83 | Y | A | 0.0000 | |
| 84 | V | A | 0.0000 | |
| 85 | K | A | -1.6914 | |
| 86 | H | A | -1.4544 | |
| 87 | P | A | -1.3570 | |
| 88 | A | A | -0.9504 | |
| 89 | D | A | -2.0400 | |
| 90 | I | A | 0.0000 | |
| 91 | P | A | -0.9662 | |
| 92 | D | A | -0.6973 | |
| 93 | Y | A | 0.0000 | |
| 94 | L | A | 0.0000 | |
| 95 | K | A | 0.0000 | |
| 96 | L | A | -0.4173 | |
| 97 | S | A | 0.0000 | |
| 98 | F | A | 0.0000 | |
| 99 | P | A | -1.0775 | |
| 100 | E | A | -1.9340 | |
| 101 | G | A | 0.0000 | |
| 102 | F | A | 0.0000 | |
| 103 | K | A | -2.1220 | |
| 104 | W | A | 0.0000 | |
| 105 | E | A | -2.1747 | |
| 106 | R | A | 0.0000 | |
| 107 | V | A | -0.6366 | |
| 108 | M | A | 0.0000 | |
| 109 | N | A | -2.0657 | |
| 110 | F | A | 0.0000 | |
| 111 | E | A | -2.7508 | |
| 112 | D | A | -2.0306 | |
| 113 | G | A | -1.5364 | |
| 114 | G | A | 0.0000 | |
| 115 | V | A | -1.0206 | |
| 116 | V | A | 0.0000 | |
| 117 | T | A | -1.0446 | |
| 118 | V | A | 0.0000 | |
| 119 | T | A | -1.9293 | |
| 120 | Q | A | 0.0000 | |
| 121 | D | A | -2.3371 | |
| 122 | S | A | 0.0000 | |
| 123 | S | A | -1.3975 | |
| 124 | L | A | -1.5021 | |
| 125 | Q | A | -2.6610 | |
| 126 | D | A | -2.7710 | |
| 127 | G | A | -2.2221 | |
| 128 | E | A | -2.5032 | |
| 129 | F | A | 0.0000 | |
| 130 | I | A | -1.7090 | |
| 131 | Y | A | 0.0000 | |
| 132 | K | A | -2.4559 | |
| 133 | V | A | 0.0000 | |
| 134 | K | A | -3.0256 | |
| 135 | L | A | 0.0000 | |
| 136 | R | A | -2.6557 | |
| 137 | G | A | 0.0000 | |
| 138 | T | A | -1.3918 | |
| 139 | N | A | -1.6107 | |
| 140 | F | A | 0.0000 | |
| 141 | P | A | -1.4999 | |
| 142 | S | A | -1.5766 | |
| 143 | D | A | -2.3307 | |
| 144 | G | A | -1.7042 | |
| 145 | P | A | -1.6998 | |
| 146 | V | A | 0.0000 | |
| 147 | M | A | -1.4780 | |
| 148 | Q | A | -2.3706 | |
| 149 | K | A | -2.1114 | |
| 150 | K | A | -2.1678 | |
| 151 | T | A | 0.0000 | |
| 152 | M | A | -0.5808 | |
| 153 | G | A | -0.7831 | |
| 154 | W | A | 0.0000 | |
| 155 | E | A | -2.4345 | |
| 156 | A | A | -1.4767 | |
| 157 | S | A | -1.1467 | |
| 158 | S | A | -1.1793 | |
| 159 | E | A | 0.0000 | |
| 160 | R | A | -1.3252 | |
| 161 | M | A | 0.0000 | |
| 162 | Y | A | -0.7682 | |
| 163 | P | A | -1.6175 | |
| 164 | E | A | -2.8737 | |
| 165 | D | A | -2.9556 | |
| 166 | G | A | -2.1589 | |
| 167 | A | A | 0.0000 | |
| 168 | L | A | 0.0000 | |
| 169 | K | A | -1.8454 | |
| 170 | G | A | 0.0000 | |
| 171 | E | A | -2.2094 | |
| 172 | I | A | 0.0000 | |
| 173 | K | A | -2.7967 | |
| 174 | Q | A | 0.0000 | |
| 175 | R | A | -2.1963 | |
| 176 | L | A | 0.0000 | |
| 177 | K | A | -1.8353 | |
| 178 | L | A | -1.9954 | |
| 179 | K | A | -2.9549 | |
| 180 | D | A | -2.9932 | |
| 181 | G | A | -2.0186 | |
| 182 | G | A | -1.7216 | |
| 183 | H | A | -1.6751 | |
| 184 | Y | A | 0.0000 | |
| 185 | D | A | -2.2221 | |
| 186 | A | A | 0.0000 | |
| 187 | E | A | -3.3799 | |
| 188 | V | A | 0.0000 | |
| 189 | K | A | -2.2455 | |
| 190 | T | A | 0.0000 | |
| 191 | T | A | -1.6043 | |
| 192 | Y | A | 0.0000 | |
| 193 | K | A | -1.6314 | |
| 194 | A | A | -1.3713 | |
| 195 | K | A | -1.8461 | |
| 196 | K | A | -1.4650 | |
| 197 | P | A | -0.8707 | |
| 198 | V | A | -0.7327 | |
| 199 | Q | A | -1.1570 | |
| 200 | L | A | -0.7883 | |
| 201 | P | A | 0.0000 | |
| 202 | G | A | -0.6045 | |
| 203 | A | A | -0.7155 | |
| 204 | Y | A | 0.0000 | |
| 205 | N | A | 0.0000 | |
| 206 | V | A | 0.0000 | |
| 207 | N | A | -1.1201 | |
| 208 | I | A | 0.0000 | |
| 209 | K | A | -1.4954 | |
| 210 | L | A | -1.2628 | |
| 211 | D | A | -1.9697 | |
| 212 | I | A | -0.7764 | |
| 213 | T | A | -0.9890 | |
| 214 | S | A | -1.1999 | |
| 215 | H | A | -1.5938 | |
| 216 | N | A | -1.6798 | |
| 217 | E | A | -2.4356 | |
| 218 | D | A | -1.8300 | |
| 219 | Y | A | -1.0132 | |
| 220 | T | A | -0.9315 | |
| 221 | I | A | -1.0344 | |
| 222 | V | A | 0.0000 | |
| 223 | E | A | -1.8770 | |
| 224 | Q | A | 0.0000 | |
| 225 | Y | A | 0.0000 | |
| 226 | E | A | 0.0000 | |
| 227 | R | A | -1.1021 | |
| 228 | A | A | 0.0000 | |
| 229 | E | A | -1.6997 | |
| 230 | G | A | 0.0000 | |
| 231 | R | A | -2.0515 | |
| 232 | H | A | -1.6241 | |
| 233 | S | A | -1.0137 | |
| 234 | T | A | -0.8841 | |
| 235 | G | A | -1.2416 | |
| 236 | G | A | -1.1467 | |
| 237 | M | A | -0.9437 | |
| 238 | D | A | -2.4144 | |
| 239 | E | A | -2.6501 | |
| 240 | L | A | -1.0505 | |
| 241 | Y | A | -0.5691 | |
| 242 | K | A | -2.1117 | |
| 243 | A | A | -1.0927 | |
| 244 | A | A | -0.5574 | |
| 245 | A | A | -0.7330 | |
| 246 | G | A | -1.1641 | |
| 247 | G | A | -1.2254 | |
| 248 | G | A | -1.1291 | |
| 249 | G | A | -1.0853 | |
| 250 | S | A | -0.9354 | |
| 251 | G | A | -1.0461 | |
| 252 | G | A | -1.0715 | |
| 253 | G | A | -1.0726 | |
| 254 | G | A | -1.0405 | |
| 255 | S | A | -0.8660 | |
| 256 | G | A | -1.0576 | |
| 257 | G | A | -1.1654 | |
| 258 | G | A | -0.9598 | |
| 259 | G | A | -0.6702 | |
| 260 | S | A | -0.3301 | |
| 261 | M | A | 0.4398 | |
| 262 | A | A | -0.3104 | |
| 263 | Q | A | -1.1407 | |
| 264 | V | A | -0.4701 | |
| 265 | Q | A | -0.9137 | |
| 266 | L | A | 0.0000 | |
| 267 | V | A | 0.7438 | |
| 268 | E | A | 0.0000 | |
| 269 | S | A | -0.3406 | |
| 270 | G | A | -0.9413 | |
| 271 | G | A | -0.3987 | |
| 272 | G | A | 0.2905 | |
| 273 | V | A | 1.3202 | |
| 274 | V | A | 0.0000 | |
| 275 | Q | A | -1.9497 | |
| 276 | P | A | -2.2163 | |
| 277 | G | A | -2.3016 | |
| 278 | R | A | -2.8949 | |
| 279 | S | A | -2.1151 | |
| 280 | L | A | -1.3154 | |
| 281 | R | A | -1.8068 | |
| 282 | L | A | 0.0000 | |
| 283 | S | A | -0.3384 | |
| 284 | C | A | 0.0000 | |
| 285 | S | A | -0.3972 | |
| 286 | S | A | 0.0000 | |
| 287 | S | A | -0.5738 | |
| 288 | G | A | -0.2365 | |
| 289 | F | A | 0.5176 | |
| 290 | I | A | 1.4400 | |
| 291 | F | A | 0.0000 | |
| 292 | S | A | -0.4379 | |
| 293 | D | A | 0.0765 | |
| 294 | N | A | 0.0000 | |
| 295 | Y | A | 0.1166 | |
| 296 | M | A | 0.0000 | |
| 297 | Y | A | 0.0000 | |
| 298 | W | A | 0.0000 | |
| 299 | V | A | 0.0000 | |
| 300 | R | A | 0.0000 | |
| 301 | Q | A | -0.8182 | |
| 302 | A | A | -1.2327 | |
| 303 | P | A | -1.1512 | |
| 304 | G | A | -1.4511 | |
| 305 | K | A | -2.3814 | |
| 306 | G | A | -1.5885 | |
| 307 | L | A | 0.0000 | |
| 308 | E | A | -1.0462 | |
| 309 | W | A | 0.0000 | |
| 310 | V | A | 0.0000 | |
| 311 | A | A | 0.0000 | |
| 312 | T | A | 0.0000 | |
| 313 | I | A | 0.0000 | |
| 314 | S | A | 0.0000 | |
| 315 | D | A | -0.3001 | |
| 316 | G | A | -0.7117 | |
| 317 | G | A | -0.3575 | |
| 318 | S | A | 0.1184 | |
| 319 | Y | A | 1.1360 | |
| 320 | T | A | 0.7695 | |
| 321 | Y | A | 0.3472 | |
| 322 | Y | A | -0.7248 | |
| 323 | P | A | -1.6024 | |
| 324 | D | A | -2.7261 | |
| 325 | S | A | -1.9179 | |
| 326 | V | A | 0.0000 | |
| 327 | K | A | -2.5783 | |
| 328 | G | A | -1.8086 | |
| 329 | R | A | -1.5732 | |
| 330 | F | A | 0.0000 | |
| 331 | T | A | -0.7712 | |
| 332 | I | A | 0.0000 | |
| 333 | S | A | -0.1977 | |
| 334 | R | A | -1.0381 | |
| 335 | D | A | -1.5577 | |
| 336 | N | A | -1.5933 | |
| 337 | S | A | -1.6053 | |
| 338 | K | A | -2.4707 | |
| 339 | N | A | -1.6430 | |
| 340 | T | A | -1.1125 | |
| 341 | L | A | 0.0000 | |
| 342 | F | A | -0.3492 | |
| 343 | L | A | 0.0000 | |
| 344 | Q | A | -1.0711 | |
| 345 | M | A | 0.0000 | |
| 346 | D | A | -2.1141 | |
| 347 | S | A | -1.9423 | |
| 348 | L | A | 0.0000 | |
| 349 | R | A | -2.6472 | |
| 350 | P | A | -2.1318 | |
| 351 | E | A | -2.6414 | |
| 352 | D | A | 0.0000 | |
| 353 | T | A | -0.7151 | |
| 354 | G | A | 0.0000 | |
| 355 | V | A | 0.1805 | |
| 356 | Y | A | 0.0000 | |
| 357 | F | A | 0.0000 | |
| 358 | C | A | 0.0000 | |
| 359 | A | A | 0.0000 | |
| 360 | R | A | 0.0000 | |
| 361 | G | A | 0.0000 | |
| 362 | Y | A | 0.3645 | |
| 363 | Y | A | -0.0318 | |
| 364 | R | A | -0.2006 | |
| 365 | Y | A | -0.1270 | |
| 366 | E | A | -0.4384 | |
| 367 | G | A | -0.1370 | |
| 368 | A | A | 0.0000 | |
| 369 | M | A | 0.0000 | |
| 370 | D | A | -0.0400 | |
| 371 | Y | A | 0.2282 | |
| 372 | W | A | -0.3013 | |
| 373 | G | A | 0.0000 | |
| 374 | Q | A | -1.4014 | |
| 375 | G | A | -0.6379 | |
| 376 | T | A | 0.0000 | |
| 377 | P | A | 0.0444 | |
| 378 | V | A | 0.0000 | |
| 379 | T | A | -0.0246 | |
| 380 | V | A | 0.0000 | |
| 381 | S | A | -1.0340 | |
| 382 | S | A | -1.1941 | |
| 383 | G | A | -1.1944 | |
| 384 | G | A | -1.1066 | |
| 385 | G | A | -1.1647 | |
| 386 | G | A | -1.1590 | |
| 387 | S | A | -0.9274 | |
| 388 | G | A | -1.3497 | |
| 389 | G | A | -1.4340 | |
| 390 | G | A | -1.4764 | |
| 391 | G | A | -1.3974 | |
| 392 | S | A | -1.2535 | |
| 393 | G | A | -1.1851 | |
| 394 | G | A | -1.7208 | |
| 395 | G | A | -1.4960 | |
| 396 | G | A | -1.7636 | |
| 397 | S | A | -1.4112 | |
| 398 | D | A | -1.9659 | |
| 399 | I | A | 0.0000 | |
| 400 | Q | A | -2.0386 | |
| 401 | L | A | 0.0000 | |
| 402 | T | A | -1.3039 | |
| 403 | Q | A | 0.0000 | |
| 404 | S | A | -0.6197 | |
| 405 | P | A | -0.4664 | |
| 406 | S | A | -0.8461 | |
| 407 | S | A | -1.0613 | |
| 408 | L | A | -0.8281 | |
| 409 | S | A | -1.1940 | |
| 410 | A | A | 0.0000 | |
| 411 | S | A | -0.7332 | |
| 412 | V | A | 0.2315 | |
| 413 | G | A | -0.7544 | |
| 414 | D | A | -1.6727 | |
| 415 | R | A | -2.3198 | |
| 416 | V | A | 0.0000 | |
| 417 | T | A | -0.6125 | |
| 418 | I | A | 0.0000 | |
| 419 | T | A | -0.8208 | |
| 420 | C | A | 0.0000 | |
| 421 | K | A | -2.5361 | |
| 422 | S | A | 0.0000 | |
| 423 | S | A | -1.8988 | |
| 424 | Q | A | -2.0532 | |
| 425 | S | A | -0.9644 | |
| 426 | V | A | 0.0000 | |
| 427 | L | A | -0.1284 | |
| 428 | Y | A | 0.0422 | |
| 429 | S | A | -0.4926 | |
| 430 | S | A | -0.5643 | |
| 431 | N | A | -0.9261 | |
| 432 | Q | A | -1.4492 | |
| 433 | K | A | -1.0371 | |
| 434 | N | A | -0.4458 | |
| 435 | Y | A | 0.0000 | |
| 436 | L | A | 0.0000 | |
| 437 | A | A | 0.0000 | |
| 438 | W | A | 0.0000 | |
| 439 | Y | A | 0.0000 | |
| 440 | Q | A | 0.0000 | |
| 441 | Q | A | 0.0000 | |
| 442 | K | A | -1.5958 | |
| 443 | P | A | -1.1285 | |
| 444 | G | A | -1.7229 | |
| 445 | K | A | -2.6317 | |
| 446 | A | A | -1.6049 | |
| 447 | P | A | 0.0000 | |
| 448 | K | A | -1.4010 | |
| 449 | L | A | 0.0000 | |
| 450 | L | A | 0.0000 | |
| 451 | I | A | 0.0000 | |
| 452 | Y | A | -0.2872 | |
| 453 | W | A | -0.3898 | |
| 454 | A | A | 0.0000 | |
| 455 | S | A | -0.6688 | |
| 456 | T | A | -0.6061 | |
| 457 | R | A | -1.2048 | |
| 458 | E | A | -1.0165 | |
| 459 | S | A | -0.7406 | |
| 460 | G | A | -0.7328 | |
| 461 | V | A | -0.6879 | |
| 462 | P | A | -0.5448 | |
| 463 | S | A | -0.6046 | |
| 464 | R | A | -0.7319 | |
| 465 | F | A | 0.0000 | |
| 466 | S | A | -0.5645 | |
| 467 | G | A | 0.0000 | |
| 468 | S | A | -0.6847 | |
| 469 | G | A | -1.0752 | |
| 470 | S | A | -1.0055 | |
| 471 | G | A | -1.1152 | |
| 472 | T | A | -1.6827 | |
| 473 | D | A | -2.3862 | |
| 474 | F | A | 0.0000 | |
| 475 | T | A | -0.7874 | |
| 476 | F | A | 0.0000 | |
| 477 | T | A | -0.5726 | |
| 478 | I | A | 0.0000 | |
| 479 | S | A | -1.3255 | |
| 480 | S | A | -1.1662 | |
| 481 | L | A | 0.0000 | |
| 482 | Q | A | -0.5701 | |
| 483 | P | A | -0.6160 | |
| 484 | E | A | -1.0582 | |
| 485 | D | A | 0.0000 | |
| 486 | I | A | -0.4074 | |
| 487 | A | A | 0.0000 | |
| 488 | T | A | -0.9229 | |
| 489 | Y | A | 0.0000 | |
| 490 | Y | A | 0.0000 | |
| 491 | C | A | 0.0000 | |
| 492 | H | A | 0.0000 | |
| 493 | Q | A | 0.0000 | |
| 494 | Y | A | 0.0000 | |
| 495 | L | A | 0.3187 | |
| 496 | S | A | -0.1715 | |
| 497 | S | A | -0.2963 | |
| 498 | W | A | -0.1253 | |
| 499 | T | A | -0.5421 | |
| 500 | F | A | -0.4210 | |
| 501 | G | A | 0.0000 | |
| 502 | Q | A | -1.5973 | |
| 503 | G | A | 0.0000 | |
| 504 | T | A | 0.0000 | |
| 505 | K | A | -1.7962 | |
| 506 | L | A | 0.0000 | |
| 507 | E | A | -1.8343 | |
| 508 | I | A | -0.9262 | |
| 509 | K | A | -1.6373 |
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 | -0.7354 | 2.276 | View | CSV | PDB |
| 4.5 | -0.7956 | 2.2519 | View | CSV | PDB |
| 5.0 | -0.8692 | 2.2262 | View | CSV | PDB |
| 5.5 | -0.9425 | 2.1999 | View | CSV | PDB |
| 6.0 | -0.9997 | 2.1734 | View | CSV | PDB |
| 6.5 | -1.0281 | 2.1469 | View | CSV | PDB |
| 7.0 | -1.0261 | 2.1441 | View | CSV | PDB |
| 7.5 | -1.0036 | 2.1441 | View | CSV | PDB |
| 8.0 | -0.9703 | 2.1441 | View | CSV | PDB |
| 8.5 | -0.9298 | 2.1441 | View | CSV | PDB |
| 9.0 | -0.8823 | 2.1441 | 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