| Chain sequence(s) |
A: MGIGKFLHSAKKFGKAFVGEIMNSGALNGEFYVPAGTIITANGTGVPDGAGPGFGADLARELERVAEGMWIWKWINYPAAVMPMRPSINTLRLALKEMIRTTPGKIVLSAYSQSAVAFAYVWRDDILNPDGELHDRLDDIVAVILYGNPVRAPGIAYGNELGGQSAPGKLNGHVTGGIAGPDCLRPEECVHPVTGRRIVLDFANAGDLYAAAPVGAEPWVKETEVGHNETLIYEAVMDFNGRDILAFAKEIAQILTMPLSQVVPLVQAIINGLSFLVQGPKAPHWTYTIGPAVDYLVRTGNELRKNAGAGAGAGGSTERVLPYDRNIVPQETGWWCGPAATQVVLNSRGIIVPEATLANEIEQIENPGRGDDRDGTDYVGLIEQVLDRRVPEAKYTSVYMPNDPPTAAQREALWQNIVRSINAGWGVIMNWVAPPSNKPRGVKGSPNPKYSGGTTYHYVACMGYDDTPGARALWIADSGFQPFNYWISFDQAATLIPPKGYAYAATTATAPAPAPAPVDAAPILARAAGISEAKAREILPTFRDGLRLAECNNVPRIAMFIAQTGHESDNFNATQEYDHGRNYGDPNEATDRWKYKGRTWIQITWRGNYERFSRWCFDRKLVPTPTYFVDNPRALADVRWAGIGAAWYWTVERPSINRLCDERNLTEVTRLINGGTSWEAPTWMKHRKERYDRALAVGNDLLKLLDGEEEGFLSALTPKEQRELYDEIMKRGPSRSFLADDGRQIETLLGFIYNIDGNAWNIVNILGCLIGVPECVDDIRDVAENGVRKGSYAESNPWLAQFGQEFCKRLLPLAGKLSELLNAQEFKVTHNRIIEQGSYGRKKRRQRRR
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] (00:00:11)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:11)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:11)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:11)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:16)
[INFO] FoldX: Starting FoldX energy minimization (00:00:16)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:15:51)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/97ceae98061d2a8/tmp/folded.pdb (00:15:51)
[INFO] Main: Simulation completed successfully. (00:23:23)
|
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 | 0.9588 | |
| 2 | G | A | 0.9879 | |
| 3 | I | A | 2.0535 | |
| 4 | G | A | 0.5022 | |
| 5 | K | A | -0.3897 | |
| 6 | F | A | 1.3660 | |
| 7 | L | A | 0.5341 | |
| 8 | H | A | -1.1868 | |
| 9 | S | A | -0.8639 | |
| 10 | A | A | -0.7321 | |
| 11 | K | A | -2.1895 | |
| 12 | K | A | -2.1210 | |
| 13 | F | A | 0.4345 | |
| 14 | G | A | -0.4300 | |
| 15 | K | A | -1.6759 | |
| 16 | A | A | -0.0809 | |
| 17 | F | A | 1.6284 | |
| 18 | V | A | 1.2291 | |
| 19 | G | A | 0.1486 | |
| 20 | E | A | -0.5572 | |
| 21 | I | A | 1.6922 | |
| 22 | M | A | 0.9942 | |
| 23 | N | A | -0.8310 | |
| 24 | S | A | -0.4374 | |
| 25 | G | A | -0.5946 | |
| 26 | A | A | -0.4616 | |
| 27 | L | A | 0.3219 | |
| 28 | N | A | -1.0532 | |
| 29 | G | A | -1.1285 | |
| 30 | E | A | -0.6699 | |
| 31 | F | A | 1.9427 | |
| 32 | Y | A | 2.2152 | |
| 33 | V | A | 2.4661 | |
| 34 | P | A | 1.2061 | |
| 35 | A | A | -0.0111 | |
| 36 | G | A | 0.1489 | |
| 37 | T | A | 0.0000 | |
| 38 | I | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | T | A | 0.0000 | |
| 41 | A | A | 0.0000 | |
| 42 | N | A | 0.0000 | |
| 43 | G | A | 0.0000 | |
| 44 | T | A | 0.5015 | |
| 45 | G | A | 0.5431 | |
| 46 | V | A | -0.2812 | |
| 47 | P | A | -1.2991 | |
| 48 | D | A | -2.0651 | |
| 49 | G | A | 0.0000 | |
| 50 | A | A | -0.8535 | |
| 51 | G | A | -0.8517 | |
| 52 | P | A | -0.5758 | |
| 53 | G | A | -0.3057 | |
| 54 | F | A | 0.0133 | |
| 55 | G | A | 0.0000 | |
| 56 | A | A | 0.0000 | |
| 57 | D | A | -0.9161 | |
| 58 | L | A | 0.0000 | |
| 59 | A | A | 0.0000 | |
| 60 | R | A | -1.9553 | |
| 61 | E | A | -1.8142 | |
| 62 | L | A | 0.0000 | |
| 63 | E | A | -2.6795 | |
| 64 | R | A | -2.7389 | |
| 65 | V | A | -0.8192 | |
| 66 | A | A | -1.3808 | |
| 67 | E | A | -2.3051 | |
| 68 | G | A | -0.3551 | |
| 69 | M | A | 0.0000 | |
| 70 | W | A | 0.0000 | |
| 71 | I | A | 1.0177 | |
| 72 | W | A | 0.4777 | |
| 73 | K | A | 0.2647 | |
| 74 | W | A | -0.0950 | |
| 75 | I | A | 0.0000 | |
| 76 | N | A | -1.7567 | |
| 77 | Y | A | 0.0000 | |
| 78 | P | A | -0.6848 | |
| 79 | A | A | 0.0000 | |
| 80 | A | A | 0.0569 | |
| 81 | V | A | 0.5991 | |
| 82 | M | A | -0.2918 | |
| 83 | P | A | -0.8623 | |
| 84 | M | A | 0.0000 | |
| 85 | R | A | -1.3689 | |
| 86 | P | A | -1.0965 | |
| 87 | S | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | N | A | -0.8963 | |
| 90 | T | A | -0.4103 | |
| 91 | L | A | 0.0000 | |
| 92 | R | A | -0.2335 | |
| 93 | L | A | 0.6132 | |
| 94 | A | A | -0.4344 | |
| 95 | L | A | 0.0000 | |
| 96 | K | A | -1.2729 | |
| 97 | E | A | -1.9674 | |
| 98 | M | A | -1.0203 | |
| 99 | I | A | 0.0000 | |
| 100 | R | A | -2.3376 | |
| 101 | T | A | -1.2301 | |
| 102 | T | A | 0.0000 | |
| 103 | P | A | -0.8278 | |
| 104 | G | A | -1.1203 | |
| 105 | K | A | -1.2400 | |
| 106 | I | A | 0.0000 | |
| 107 | V | A | 0.0000 | |
| 108 | L | A | 0.0000 | |
| 109 | S | A | 0.0000 | |
| 110 | A | A | 0.0000 | |
| 111 | Y | A | 0.2018 | |
| 112 | S | A | 0.0000 | |
| 113 | Q | A | 0.0000 | |
| 114 | S | A | 0.0000 | |
| 115 | A | A | 0.0000 | |
| 116 | V | A | 0.0000 | |
| 117 | A | A | 0.0000 | |
| 118 | F | A | 0.0000 | |
| 119 | A | A | 0.0000 | |
| 120 | Y | A | -0.3162 | |
| 121 | V | A | 0.0000 | |
| 122 | W | A | 0.0000 | |
| 123 | R | A | -0.7693 | |
| 124 | D | A | -1.3055 | |
| 125 | D | A | 0.0000 | |
| 126 | I | A | 0.0000 | |
| 127 | L | A | -1.3499 | |
| 128 | N | A | -1.7762 | |
| 129 | P | A | -2.0349 | |
| 130 | D | A | -2.8340 | |
| 131 | G | A | -2.5617 | |
| 132 | E | A | -3.0104 | |
| 133 | L | A | 0.0000 | |
| 134 | H | A | -2.6301 | |
| 135 | D | A | -2.9811 | |
| 136 | R | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | D | A | -2.2722 | |
| 139 | D | A | -1.8791 | |
| 140 | I | A | 0.0000 | |
| 141 | V | A | 0.0000 | |
| 142 | A | A | 0.0000 | |
| 143 | V | A | 0.0000 | |
| 144 | I | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | Y | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | N | A | 0.0000 | |
| 149 | P | A | 0.0000 | |
| 150 | V | A | 0.0000 | |
| 151 | R | A | 0.0000 | |
| 152 | A | A | 0.0000 | |
| 153 | P | A | 0.0000 | |
| 154 | G | A | -0.6402 | |
| 155 | I | A | -0.1992 | |
| 156 | A | A | 0.0000 | |
| 157 | Y | A | -0.7616 | |
| 158 | G | A | 0.0000 | |
| 159 | N | A | -1.5057 | |
| 160 | E | A | -2.2872 | |
| 161 | L | A | -1.1140 | |
| 162 | G | A | -1.4685 | |
| 163 | G | A | -1.7556 | |
| 164 | Q | A | -2.2180 | |
| 165 | S | A | -1.5206 | |
| 166 | A | A | -1.0908 | |
| 167 | P | A | -0.8913 | |
| 168 | G | A | -1.4938 | |
| 169 | K | A | -2.1296 | |
| 170 | L | A | -1.2262 | |
| 171 | N | A | -1.6789 | |
| 172 | G | A | -1.5713 | |
| 173 | H | A | -1.2151 | |
| 174 | V | A | -0.9046 | |
| 175 | T | A | 0.0000 | |
| 176 | G | A | 0.0000 | |
| 177 | G | A | 0.0000 | |
| 178 | I | A | 0.0000 | |
| 179 | A | A | 0.0000 | |
| 180 | G | A | 0.0000 | |
| 181 | P | A | -0.9199 | |
| 182 | D | A | -0.8895 | |
| 183 | C | A | 0.0000 | |
| 184 | L | A | 0.0000 | |
| 185 | R | A | -1.8331 | |
| 186 | P | A | -1.5600 | |
| 187 | E | A | -2.3951 | |
| 188 | E | A | -1.6973 | |
| 189 | C | A | 0.0000 | |
| 190 | V | A | -1.0590 | |
| 191 | H | A | 0.0000 | |
| 192 | P | A | -0.0832 | |
| 193 | V | A | 1.1933 | |
| 194 | T | A | -0.0595 | |
| 195 | G | A | -0.8726 | |
| 196 | R | A | -1.2640 | |
| 197 | R | A | -1.5561 | |
| 198 | I | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | L | A | 0.0000 | |
| 201 | D | A | 0.0000 | |
| 202 | F | A | 0.0000 | |
| 203 | A | A | 0.0000 | |
| 204 | N | A | -0.5906 | |
| 205 | A | A | -0.5559 | |
| 206 | G | A | -0.4030 | |
| 207 | D | A | 0.0000 | |
| 208 | L | A | 0.1967 | |
| 209 | Y | A | 0.0000 | |
| 210 | A | A | 0.0000 | |
| 211 | A | A | 0.0000 | |
| 212 | A | A | 0.0000 | |
| 213 | P | A | 0.0000 | |
| 214 | V | A | 0.0000 | |
| 215 | G | A | 0.0000 | |
| 216 | A | A | -0.7875 | |
| 217 | E | A | -1.4943 | |
| 218 | P | A | 0.0000 | |
| 219 | W | A | -0.3371 | |
| 220 | V | A | 0.4885 | |
| 221 | K | A | -1.6674 | |
| 222 | E | A | -1.7099 | |
| 223 | T | A | -1.7624 | |
| 224 | E | A | -2.2751 | |
| 225 | V | A | -1.1106 | |
| 226 | G | A | 0.0000 | |
| 227 | H | A | -1.7262 | |
| 228 | N | A | -0.7296 | |
| 229 | E | A | -0.7522 | |
| 230 | T | A | 0.0000 | |
| 231 | L | A | -0.2800 | |
| 232 | I | A | 0.0000 | |
| 233 | Y | A | 0.0000 | |
| 234 | E | A | -1.6369 | |
| 235 | A | A | -1.2789 | |
| 236 | V | A | 0.0000 | |
| 237 | M | A | 0.0000 | |
| 238 | D | A | -2.0855 | |
| 239 | F | A | -1.8222 | |
| 240 | N | A | -2.3940 | |
| 241 | G | A | -2.2438 | |
| 242 | R | A | -2.7538 | |
| 243 | D | A | -2.4923 | |
| 244 | I | A | -0.9417 | |
| 245 | L | A | -0.4087 | |
| 246 | A | A | -1.3732 | |
| 247 | F | A | 0.0000 | |
| 248 | A | A | 0.0000 | |
| 249 | K | A | -2.2911 | |
| 250 | E | A | -2.2559 | |
| 251 | I | A | 0.0000 | |
| 252 | A | A | -1.0829 | |
| 253 | Q | A | -1.2465 | |
| 254 | I | A | 0.6373 | |
| 255 | L | A | 0.1965 | |
| 256 | T | A | 0.0656 | |
| 257 | M | A | -0.1616 | |
| 258 | P | A | -0.5811 | |
| 259 | L | A | -0.5481 | |
| 260 | S | A | -0.5324 | |
| 261 | Q | A | -0.7537 | |
| 262 | V | A | 0.0000 | |
| 263 | V | A | -0.0681 | |
| 264 | P | A | -0.3462 | |
| 265 | L | A | -0.1537 | |
| 266 | V | A | 0.0000 | |
| 267 | Q | A | -0.2941 | |
| 268 | A | A | -0.1985 | |
| 269 | I | A | 0.0000 | |
| 270 | I | A | 0.0000 | |
| 271 | N | A | 0.3448 | |
| 272 | G | A | 0.4468 | |
| 273 | L | A | 0.0000 | |
| 274 | S | A | 1.4515 | |
| 275 | F | A | 2.6792 | |
| 276 | L | A | 2.5298 | |
| 277 | V | A | 1.5524 | |
| 278 | Q | A | -0.4237 | |
| 279 | G | A | -0.8074 | |
| 280 | P | A | -0.9759 | |
| 281 | K | A | -2.1003 | |
| 282 | A | A | -1.2625 | |
| 283 | P | A | -0.5934 | |
| 284 | H | A | 0.0000 | |
| 285 | W | A | -0.2243 | |
| 286 | T | A | -0.4157 | |
| 287 | Y | A | 0.0000 | |
| 288 | T | A | -0.0083 | |
| 289 | I | A | -0.1584 | |
| 290 | G | A | -0.5504 | |
| 291 | P | A | -0.8616 | |
| 292 | A | A | 0.0000 | |
| 293 | V | A | 0.0000 | |
| 294 | D | A | -1.9127 | |
| 295 | Y | A | -1.2057 | |
| 296 | L | A | 0.0000 | |
| 297 | V | A | -1.2609 | |
| 298 | R | A | -2.6829 | |
| 299 | T | A | -1.9281 | |
| 300 | G | A | 0.0000 | |
| 301 | N | A | -2.3458 | |
| 302 | E | A | -3.3791 | |
| 303 | L | A | -2.1432 | |
| 304 | R | A | -1.7756 | |
| 305 | K | A | -3.2872 | |
| 306 | N | A | -2.8785 | |
| 307 | A | A | -1.5743 | |
| 308 | G | A | -1.6857 | |
| 309 | A | A | -1.4580 | |
| 310 | G | A | -1.4756 | |
| 311 | A | A | -1.0384 | |
| 312 | G | A | -0.9427 | |
| 313 | A | A | -0.6930 | |
| 314 | G | A | -0.9183 | |
| 315 | G | A | -1.2379 | |
| 316 | S | A | -1.4203 | |
| 317 | T | A | -1.6794 | |
| 318 | E | A | -2.3219 | |
| 319 | R | A | -1.4102 | |
| 320 | V | A | -0.2215 | |
| 321 | L | A | 0.0000 | |
| 322 | P | A | -0.4995 | |
| 323 | Y | A | 0.0000 | |
| 324 | D | A | -1.3602 | |
| 325 | R | A | -1.6256 | |
| 326 | N | A | -1.6302 | |
| 327 | I | A | -0.9118 | |
| 328 | V | A | 0.0000 | |
| 329 | P | A | -0.9801 | |
| 330 | Q | A | -1.0082 | |
| 331 | E | A | -1.9309 | |
| 332 | T | A | -1.2786 | |
| 333 | G | A | -1.1848 | |
| 334 | W | A | -1.1864 | |
| 335 | W | A | -0.8825 | |
| 336 | C | A | -0.0878 | |
| 337 | G | A | 0.0000 | |
| 338 | P | A | 0.0000 | |
| 339 | A | A | 0.0000 | |
| 340 | A | A | 0.0000 | |
| 341 | T | A | 0.0000 | |
| 342 | Q | A | 0.3599 | |
| 343 | V | A | 0.0000 | |
| 344 | V | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | N | A | 0.0000 | |
| 347 | S | A | 0.0000 | |
| 348 | R | A | 0.0503 | |
| 349 | G | A | 0.3532 | |
| 350 | I | A | 1.3269 | |
| 351 | I | A | 2.1173 | |
| 352 | V | A | 0.0000 | |
| 353 | P | A | 0.0304 | |
| 354 | E | A | 0.0000 | |
| 355 | A | A | -0.7449 | |
| 356 | T | A | -0.6173 | |
| 357 | L | A | 0.0000 | |
| 358 | A | A | 0.0000 | |
| 359 | N | A | -1.9843 | |
| 360 | E | A | -1.2955 | |
| 361 | I | A | 0.0000 | |
| 362 | E | A | -2.5473 | |
| 363 | Q | A | -1.9744 | |
| 364 | I | A | -0.9104 | |
| 365 | E | A | -1.5410 | |
| 366 | N | A | -1.9663 | |
| 367 | P | A | -1.7082 | |
| 368 | G | A | -1.8408 | |
| 369 | R | A | -3.1679 | |
| 370 | G | A | -2.8164 | |
| 371 | D | A | -3.1937 | |
| 372 | D | A | -3.8908 | |
| 373 | R | A | -3.7898 | |
| 374 | D | A | -3.6281 | |
| 375 | G | A | -2.1257 | |
| 376 | T | A | -1.2823 | |
| 377 | D | A | -1.8244 | |
| 378 | Y | A | -0.1867 | |
| 379 | V | A | 0.0000 | |
| 380 | G | A | -0.1881 | |
| 381 | L | A | 0.0000 | |
| 382 | I | A | 0.0000 | |
| 383 | E | A | -1.3492 | |
| 384 | Q | A | -1.8023 | |
| 385 | V | A | 0.0000 | |
| 386 | L | A | 0.0000 | |
| 387 | D | A | -2.9263 | |
| 388 | R | A | -3.1268 | |
| 389 | R | A | -2.0489 | |
| 390 | V | A | 0.0000 | |
| 391 | P | A | -2.6813 | |
| 392 | E | A | -2.8579 | |
| 393 | A | A | 0.0000 | |
| 394 | K | A | -2.8308 | |
| 395 | Y | A | 0.0000 | |
| 396 | T | A | -0.6231 | |
| 397 | S | A | 0.2157 | |
| 398 | V | A | 0.8686 | |
| 399 | Y | A | 1.0676 | |
| 400 | M | A | 0.0000 | |
| 401 | P | A | -1.0079 | |
| 402 | N | A | -1.9413 | |
| 403 | D | A | -2.5412 | |
| 404 | P | A | -1.7580 | |
| 405 | P | A | 0.0000 | |
| 406 | T | A | -0.9542 | |
| 407 | A | A | -0.5109 | |
| 408 | A | A | -0.5640 | |
| 409 | Q | A | -0.8011 | |
| 410 | R | A | -1.6189 | |
| 411 | E | A | -1.4974 | |
| 412 | A | A | -0.8407 | |
| 413 | L | A | 0.0000 | |
| 414 | W | A | 0.0000 | |
| 415 | Q | A | -1.2413 | |
| 416 | N | A | -0.9872 | |
| 417 | I | A | 0.0000 | |
| 418 | V | A | -0.9434 | |
| 419 | R | A | -1.6894 | |
| 420 | S | A | 0.0000 | |
| 421 | I | A | 0.0000 | |
| 422 | N | A | -1.0296 | |
| 423 | A | A | 0.0000 | |
| 424 | G | A | 0.0000 | |
| 425 | W | A | 0.0000 | |
| 426 | G | A | 0.0000 | |
| 427 | V | A | 0.0000 | |
| 428 | I | A | 0.0000 | |
| 429 | M | A | 0.0000 | |
| 430 | N | A | 0.0000 | |
| 431 | W | A | 0.0000 | |
| 432 | V | A | 0.4410 | |
| 433 | A | A | 0.0000 | |
| 434 | P | A | -0.3705 | |
| 435 | P | A | -0.7577 | |
| 436 | S | A | -0.5543 | |
| 437 | N | A | -0.7250 | |
| 438 | K | A | 0.0000 | |
| 439 | P | A | 0.0000 | |
| 440 | R | A | -2.3510 | |
| 441 | G | A | -1.7470 | |
| 442 | V | A | -1.1327 | |
| 443 | K | A | -1.7385 | |
| 444 | G | A | -1.3674 | |
| 445 | S | A | -1.3423 | |
| 446 | P | A | -1.8207 | |
| 447 | N | A | -2.5671 | |
| 448 | P | A | 0.0000 | |
| 449 | K | A | -2.4022 | |
| 450 | Y | A | 0.0000 | |
| 451 | S | A | -1.0034 | |
| 452 | G | A | -0.8734 | |
| 453 | G | A | -0.7484 | |
| 454 | T | A | -0.2318 | |
| 455 | T | A | 0.3622 | |
| 456 | Y | A | 1.0946 | |
| 457 | H | A | 0.0000 | |
| 458 | Y | A | 0.0000 | |
| 459 | V | A | 0.0000 | |
| 460 | A | A | 0.0000 | |
| 461 | C | A | 0.0000 | |
| 462 | M | A | 0.0000 | |
| 463 | G | A | 0.0000 | |
| 464 | Y | A | 0.0000 | |
| 465 | D | A | 0.0000 | |
| 466 | D | A | -1.6091 | |
| 467 | T | A | -1.2944 | |
| 468 | P | A | -0.9785 | |
| 469 | G | A | -1.0188 | |
| 470 | A | A | -1.0933 | |
| 471 | R | A | -1.6208 | |
| 472 | A | A | 0.0000 | |
| 473 | L | A | 0.0000 | |
| 474 | W | A | -0.0029 | |
| 475 | I | A | 0.0000 | |
| 476 | A | A | 0.0000 | |
| 477 | D | A | 0.0000 | |
| 478 | S | A | 0.0000 | |
| 479 | G | A | -0.5861 | |
| 480 | F | A | -0.7633 | |
| 481 | Q | A | -1.2878 | |
| 482 | P | A | -0.9650 | |
| 483 | F | A | -0.4723 | |
| 484 | N | A | -0.4380 | |
| 485 | Y | A | 0.0000 | |
| 486 | W | A | 0.0000 | |
| 487 | I | A | 0.0000 | |
| 488 | S | A | -1.2118 | |
| 489 | F | A | 0.0000 | |
| 490 | D | A | -2.1631 | |
| 491 | Q | A | -1.3657 | |
| 492 | A | A | 0.0000 | |
| 493 | A | A | 0.0000 | |
| 494 | T | A | -1.1771 | |
| 495 | L | A | 0.0000 | |
| 496 | I | A | 0.0000 | |
| 497 | P | A | 0.0000 | |
| 498 | P | A | -1.0373 | |
| 499 | K | A | -0.3936 | |
| 500 | G | A | 0.0000 | |
| 501 | Y | A | 0.0000 | |
| 502 | A | A | 0.0000 | |
| 503 | Y | A | -0.3376 | |
| 504 | A | A | 0.0000 | |
| 505 | A | A | -1.0516 | |
| 506 | T | A | -1.2207 | |
| 507 | T | A | -0.8150 | |
| 508 | A | A | -0.5309 | |
| 509 | T | A | -0.2077 | |
| 510 | A | A | -0.5050 | |
| 511 | P | A | -0.2769 | |
| 512 | A | A | -0.2508 | |
| 513 | P | A | -0.2486 | |
| 514 | A | A | -0.1830 | |
| 515 | P | A | -0.3041 | |
| 516 | A | A | -0.0863 | |
| 517 | P | A | -0.9398 | |
| 518 | V | A | -0.9011 | |
| 519 | D | A | -1.5643 | |
| 520 | A | A | 0.0000 | |
| 521 | A | A | 0.0000 | |
| 522 | P | A | -1.4584 | |
| 523 | I | A | -1.0981 | |
| 524 | L | A | 0.0000 | |
| 525 | A | A | 0.0000 | |
| 526 | R | A | -2.1571 | |
| 527 | A | A | 0.0000 | |
| 528 | A | A | 0.0000 | |
| 529 | G | A | -1.6672 | |
| 530 | I | A | -1.1644 | |
| 531 | S | A | -1.8689 | |
| 532 | E | A | -2.9952 | |
| 533 | A | A | -2.1426 | |
| 534 | K | A | -2.4317 | |
| 535 | A | A | 0.0000 | |
| 536 | R | A | -3.5701 | |
| 537 | E | A | -3.1001 | |
| 538 | I | A | 0.0000 | |
| 539 | L | A | 0.0000 | |
| 540 | P | A | -1.7245 | |
| 541 | T | A | 0.0000 | |
| 542 | F | A | 0.0000 | |
| 543 | R | A | -1.3092 | |
| 544 | D | A | -1.8844 | |
| 545 | G | A | 0.0000 | |
| 546 | L | A | 0.0000 | |
| 547 | R | A | -2.0731 | |
| 548 | L | A | -1.1053 | |
| 549 | A | A | 0.0000 | |
| 550 | E | A | -2.5190 | |
| 551 | C | A | 0.0000 | |
| 552 | N | A | -2.0564 | |
| 553 | N | A | -1.4573 | |
| 554 | V | A | -0.7378 | |
| 555 | P | A | -1.3997 | |
| 556 | R | A | -1.8055 | |
| 557 | I | A | 0.0000 | |
| 558 | A | A | 0.0000 | |
| 559 | M | A | 0.0000 | |
| 560 | F | A | 0.0000 | |
| 561 | I | A | 0.0000 | |
| 562 | A | A | 0.0000 | |
| 563 | Q | A | 0.0000 | |
| 564 | T | A | 0.0000 | |
| 565 | G | A | 0.0000 | |
| 566 | H | A | -0.8558 | |
| 567 | E | A | -1.1838 | |
| 568 | S | A | 0.0000 | |
| 569 | D | A | -2.1247 | |
| 570 | N | A | -1.6785 | |
| 571 | F | A | 0.0000 | |
| 572 | N | A | -1.8997 | |
| 573 | A | A | 0.0000 | |
| 574 | T | A | -0.8944 | |
| 575 | Q | A | -1.0140 | |
| 576 | E | A | -0.5002 | |
| 577 | Y | A | 0.5384 | |
| 578 | D | A | -0.9289 | |
| 579 | H | A | -2.1174 | |
| 580 | G | A | 0.0000 | |
| 581 | R | A | -2.9782 | |
| 582 | N | A | -1.9767 | |
| 583 | Y | A | -0.3681 | |
| 584 | G | A | -1.1872 | |
| 585 | D | A | 0.0000 | |
| 586 | P | A | -2.2345 | |
| 587 | N | A | -2.1839 | |
| 588 | E | A | -2.4619 | |
| 589 | A | A | -1.2836 | |
| 590 | T | A | -1.6109 | |
| 591 | D | A | -2.2015 | |
| 592 | R | A | -2.4460 | |
| 593 | W | A | 0.0000 | |
| 594 | K | A | -2.2464 | |
| 595 | Y | A | 0.0000 | |
| 596 | K | A | 0.0000 | |
| 597 | G | A | 0.0000 | |
| 598 | R | A | 0.0000 | |
| 599 | T | A | 0.0000 | |
| 600 | W | A | 0.0000 | |
| 601 | I | A | 0.0000 | |
| 602 | Q | A | -0.6900 | |
| 603 | I | A | 0.0000 | |
| 604 | T | A | -0.5285 | |
| 605 | W | A | -0.4208 | |
| 606 | R | A | -1.5747 | |
| 607 | G | A | -1.0572 | |
| 608 | N | A | -1.3034 | |
| 609 | Y | A | 0.0000 | |
| 610 | E | A | -2.5754 | |
| 611 | R | A | -2.6685 | |
| 612 | F | A | 0.0000 | |
| 613 | S | A | 0.0000 | |
| 614 | R | A | -3.0318 | |
| 615 | W | A | 0.0000 | |
| 616 | C | A | 0.0000 | |
| 617 | F | A | -1.4565 | |
| 618 | D | A | -2.7588 | |
| 619 | R | A | -2.5284 | |
| 620 | K | A | -2.3410 | |
| 621 | L | A | -0.7250 | |
| 622 | V | A | 0.0000 | |
| 623 | P | A | -0.5498 | |
| 624 | T | A | -0.6731 | |
| 625 | P | A | -1.5804 | |
| 626 | T | A | -1.2254 | |
| 627 | Y | A | -0.7377 | |
| 628 | F | A | 0.0000 | |
| 629 | V | A | -1.5731 | |
| 630 | D | A | -2.0983 | |
| 631 | N | A | -1.6284 | |
| 632 | P | A | -1.7712 | |
| 633 | R | A | -2.4121 | |
| 634 | A | A | -1.4173 | |
| 635 | L | A | 0.0000 | |
| 636 | A | A | -1.1883 | |
| 637 | D | A | -1.2386 | |
| 638 | V | A | -1.0140 | |
| 639 | R | A | -1.8865 | |
| 640 | W | A | -0.8112 | |
| 641 | A | A | 0.0000 | |
| 642 | G | A | 0.0000 | |
| 643 | I | A | 0.0000 | |
| 644 | G | A | 0.0000 | |
| 645 | A | A | 0.0000 | |
| 646 | A | A | 0.0000 | |
| 647 | W | A | 0.0000 | |
| 648 | Y | A | 0.0547 | |
| 649 | W | A | 0.0000 | |
| 650 | T | A | -0.1226 | |
| 651 | V | A | 0.3704 | |
| 652 | E | A | -0.3030 | |
| 653 | R | A | -0.4611 | |
| 654 | P | A | -0.6210 | |
| 655 | S | A | -0.8783 | |
| 656 | I | A | 0.0000 | |
| 657 | N | A | 0.0000 | |
| 658 | R | A | -2.9770 | |
| 659 | L | A | 0.0000 | |
| 660 | C | A | 0.0000 | |
| 661 | D | A | -3.0313 | |
| 662 | E | A | -3.6853 | |
| 663 | R | A | -3.4919 | |
| 664 | N | A | -2.3917 | |
| 665 | L | A | -1.3517 | |
| 666 | T | A | -1.0829 | |
| 667 | E | A | -0.9406 | |
| 668 | V | A | 0.0000 | |
| 669 | T | A | 0.0000 | |
| 670 | R | A | -1.5513 | |
| 671 | L | A | -0.6839 | |
| 672 | I | A | -0.6288 | |
| 673 | N | A | -1.0816 | |
| 674 | G | A | -1.0313 | |
| 675 | G | A | -1.1702 | |
| 676 | T | A | -1.1487 | |
| 677 | S | A | -1.0934 | |
| 678 | W | A | -1.1853 | |
| 679 | E | A | -1.9041 | |
| 680 | A | A | -0.9501 | |
| 681 | P | A | -0.9953 | |
| 682 | T | A | -0.8317 | |
| 683 | W | A | -0.4756 | |
| 684 | M | A | -1.5351 | |
| 685 | K | A | -2.6877 | |
| 686 | H | A | -2.2699 | |
| 687 | R | A | 0.0000 | |
| 688 | K | A | -3.2853 | |
| 689 | E | A | -3.9040 | |
| 690 | R | A | -2.8053 | |
| 691 | Y | A | 0.0000 | |
| 692 | D | A | -2.5739 | |
| 693 | R | A | -2.9084 | |
| 694 | A | A | 0.0000 | |
| 695 | L | A | -0.8687 | |
| 696 | A | A | -1.0046 | |
| 697 | V | A | 0.0000 | |
| 698 | G | A | -1.0015 | |
| 699 | N | A | -1.8064 | |
| 700 | D | A | -1.6966 | |
| 701 | L | A | 0.0000 | |
| 702 | L | A | -1.2938 | |
| 703 | K | A | -1.8570 | |
| 704 | L | A | 0.0000 | |
| 705 | L | A | -2.0174 | |
| 706 | D | A | -2.7437 | |
| 707 | G | A | -2.9462 | |
| 708 | E | A | -3.8305 | |
| 709 | E | A | -3.7238 | |
| 710 | E | A | -2.9755 | |
| 711 | G | A | -1.1618 | |
| 712 | F | A | 1.1817 | |
| 713 | L | A | 0.7246 | |
| 714 | S | A | -0.7150 | |
| 715 | A | A | -0.1120 | |
| 716 | L | A | -0.7238 | |
| 717 | T | A | -1.5183 | |
| 718 | P | A | -2.1731 | |
| 719 | K | A | -3.4225 | |
| 720 | E | A | -3.3169 | |
| 721 | Q | A | -2.6228 | |
| 722 | R | A | -4.1503 | |
| 723 | E | A | -4.2166 | |
| 724 | L | A | -2.4402 | |
| 725 | Y | A | -1.7509 | |
| 726 | D | A | -3.5798 | |
| 727 | E | A | -3.2263 | |
| 728 | I | A | -0.9253 | |
| 729 | M | A | -0.7605 | |
| 730 | K | A | -2.5989 | |
| 731 | R | A | -2.4820 | |
| 732 | G | A | -1.8456 | |
| 733 | P | A | -2.4898 | |
| 734 | S | A | -1.7340 | |
| 735 | R | A | -1.9944 | |
| 736 | S | A | -0.0801 | |
| 737 | F | A | 1.5716 | |
| 738 | L | A | 1.5359 | |
| 739 | A | A | -0.6561 | |
| 740 | D | A | -2.8967 | |
| 741 | D | A | -3.3935 | |
| 742 | G | A | -3.0919 | |
| 743 | R | A | -3.7989 | |
| 744 | Q | A | -2.8812 | |
| 745 | I | A | -0.7818 | |
| 746 | E | A | -0.6245 | |
| 747 | T | A | -0.2530 | |
| 748 | L | A | 1.1385 | |
| 749 | L | A | 1.7838 | |
| 750 | G | A | 1.5847 | |
| 751 | F | A | 1.7346 | |
| 752 | I | A | 2.2856 | |
| 753 | Y | A | 1.6066 | |
| 754 | N | A | 0.1305 | |
| 755 | I | A | 1.2249 | |
| 756 | D | A | -0.6900 | |
| 757 | G | A | -0.2289 | |
| 758 | N | A | -0.3161 | |
| 759 | A | A | 0.6287 | |
| 760 | W | A | 1.6285 | |
| 761 | N | A | 0.9835 | |
| 762 | I | A | 2.8120 | |
| 763 | V | A | 3.1202 | |
| 764 | N | A | 0.0000 | |
| 765 | I | A | 2.3028 | |
| 766 | L | A | 2.7162 | |
| 767 | G | A | 0.0000 | |
| 768 | C | A | 0.0000 | |
| 769 | L | A | 1.3548 | |
| 770 | I | A | 1.6495 | |
| 771 | G | A | 0.1732 | |
| 772 | V | A | 0.1429 | |
| 773 | P | A | -1.3183 | |
| 774 | E | A | -2.7264 | |
| 775 | C | A | 0.0000 | |
| 776 | V | A | -1.4195 | |
| 777 | D | A | -3.1853 | |
| 778 | D | A | -2.5077 | |
| 779 | I | A | 0.0000 | |
| 780 | R | A | -3.1702 | |
| 781 | D | A | -2.9574 | |
| 782 | V | A | -2.3318 | |
| 783 | A | A | 0.0000 | |
| 784 | E | A | -3.1955 | |
| 785 | N | A | -2.8515 | |
| 786 | G | A | -2.4079 | |
| 787 | V | A | -1.8391 | |
| 788 | R | A | -2.8952 | |
| 789 | K | A | -2.9565 | |
| 790 | G | A | -1.6631 | |
| 791 | S | A | -1.0559 | |
| 792 | Y | A | 0.2986 | |
| 793 | A | A | 0.0000 | |
| 794 | E | A | -1.6103 | |
| 795 | S | A | -0.6525 | |
| 796 | N | A | -0.4773 | |
| 797 | P | A | -0.2616 | |
| 798 | W | A | 0.8667 | |
| 799 | L | A | 0.5715 | |
| 800 | A | A | -0.2879 | |
| 801 | Q | A | -0.5164 | |
| 802 | F | A | 0.8179 | |
| 803 | G | A | 0.1200 | |
| 804 | Q | A | -1.6852 | |
| 805 | E | A | -1.7989 | |
| 806 | F | A | -0.6525 | |
| 807 | C | A | 0.0000 | |
| 808 | K | A | -2.9278 | |
| 809 | R | A | -2.5105 | |
| 810 | L | A | 0.0000 | |
| 811 | L | A | -1.0234 | |
| 812 | P | A | -0.7344 | |
| 813 | L | A | 0.1491 | |
| 814 | A | A | 0.2037 | |
| 815 | G | A | 0.1055 | |
| 816 | K | A | -0.7621 | |
| 817 | L | A | 0.3724 | |
| 818 | S | A | -0.5944 | |
| 819 | E | A | -2.0858 | |
| 820 | L | A | -1.1826 | |
| 821 | L | A | -0.5683 | |
| 822 | N | A | -1.8651 | |
| 823 | A | A | -1.5540 | |
| 824 | Q | A | -2.0050 | |
| 825 | E | A | -2.0270 | |
| 826 | F | A | -0.0489 | |
| 827 | K | A | -0.8348 | |
| 828 | V | A | 0.5335 | |
| 829 | T | A | -0.6033 | |
| 830 | H | A | -1.6162 | |
| 831 | N | A | -1.6186 | |
| 832 | R | A | -1.4959 | |
| 833 | I | A | 0.7579 | |
| 834 | I | A | 0.6465 | |
| 835 | E | A | -1.4029 | |
| 836 | Q | A | -1.3346 | |
| 837 | G | A | -1.3423 | |
| 838 | S | A | -1.1304 | |
| 839 | Y | A | -0.3645 | |
| 840 | G | A | -1.8715 | |
| 841 | R | A | -3.8930 | |
| 842 | K | A | -4.5206 | |
| 843 | K | A | -5.0312 | |
| 844 | R | A | -5.7792 | |
| 845 | R | A | -6.0020 | |
| 846 | Q | A | -5.3054 | |
| 847 | R | A | -5.1730 | |
| 848 | R | A | -4.8316 | |
| 849 | R | A | -3.8720 |
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 | -0.3822 | 5.4328 | View | CSV | PDB |
| 4.5 | -0.455 | 5.4328 | View | CSV | PDB |
| 5.0 | -0.5449 | 5.4328 | View | CSV | PDB |
| 5.5 | -0.6369 | 5.4328 | View | CSV | PDB |
| 6.0 | -0.7156 | 5.4328 | View | CSV | PDB |
| 6.5 | -0.7693 | 5.4328 | View | CSV | PDB |
| 7.0 | -0.7962 | 5.4328 | View | CSV | PDB |
| 7.5 | -0.8041 | 5.4328 | View | CSV | PDB |
| 8.0 | -0.8005 | 5.4328 | View | CSV | PDB |
| 8.5 | -0.788 | 5.4328 | View | CSV | PDB |
| 9.0 | -0.7658 | 5.4328 | 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