| Chain sequence(s) |
A: AAATAHGATGYNALGNRRFRNLGLGYFSQLFQSAHFNSYANAYNNAAANARRCVADPAAHGCDASANNAYSSRACNAHDLNSTYGDAASCCNLNMPNNWQCFLSYADADPGAHSHQYDHSSFMQQYSSDSQQFRRRFYYQWARRNPFYQHTFLFYFAQSVVGIFQQCMSSQDYQACFYPSFSQLQSQIQQAAFQSFFSRYFIQHFGQQQLRRFFVVSFSSRFPSADFDFYMSFVSSRTSVYVFASNGNYLSATVSAFSLTDWYCNNYDSISSNLGSCCSTDHYSRYYCIYNVPTDSVPTDVSPYSTSFADDPNVMSKYKKDKSGFLDKFAYSYARQHPDLANPYKMYIVDSYEKILEEGMKKKDPYSVIKNVYEKLKKYVEKFKPIVKKYCEIYKKYGKKGFTYYYAREVTRKYPHYPTDVYVKFSIKYGEYGETCCDYPEEEQYPCFYEKYYLVYTELCAYSYVNPVDPRYYKICTESPYTMIENFFNLEPSDDYEPEPFDESKFTFTPEIMTYPKEEQEELLLRFVVELFKTYPNVSDEKFEEILKLLEELIKKCMSSDDKEACFKKLNPIFIKKVKELMS
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 (00:13:16)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/4045782bebd0a8d/tmp/folded.pdb (00:13:16)
[INFO] Main: Simulation completed successfully. (00:16:16)
|
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 | A | A | 0.0900 | |
| 2 | A | A | -0.1607 | |
| 3 | A | A | -0.5808 | |
| 4 | T | A | -0.6520 | |
| 5 | A | A | 0.0000 | |
| 6 | H | A | -0.5554 | |
| 7 | G | A | -0.9454 | |
| 8 | A | A | 0.0000 | |
| 9 | T | A | -0.5332 | |
| 10 | G | A | 0.0000 | |
| 11 | Y | A | -1.3241 | |
| 12 | N | A | -1.4216 | |
| 13 | A | A | -0.6373 | |
| 14 | L | A | 0.0000 | |
| 15 | G | A | -1.7555 | |
| 16 | N | A | -2.3907 | |
| 17 | R | A | -2.6042 | |
| 18 | R | A | -1.6956 | |
| 19 | F | A | 0.0000 | |
| 20 | R | A | -2.0281 | |
| 21 | N | A | -1.3213 | |
| 22 | L | A | 0.0000 | |
| 23 | G | A | 0.0000 | |
| 24 | L | A | 0.0000 | |
| 25 | G | A | 0.0000 | |
| 26 | Y | A | 0.0000 | |
| 27 | F | A | 0.0000 | |
| 28 | S | A | 0.0000 | |
| 29 | Q | A | 0.0000 | |
| 30 | L | A | 0.0000 | |
| 31 | F | A | 0.0000 | |
| 32 | Q | A | -0.6891 | |
| 33 | S | A | -0.5863 | |
| 34 | A | A | 0.0000 | |
| 35 | H | A | -1.5122 | |
| 36 | F | A | 0.0000 | |
| 37 | N | A | -1.8594 | |
| 38 | S | A | -1.6745 | |
| 39 | Y | A | 0.0000 | |
| 40 | A | A | -1.6295 | |
| 41 | N | A | -2.0515 | |
| 42 | A | A | 0.0000 | |
| 43 | Y | A | 0.0000 | |
| 44 | N | A | -1.8538 | |
| 45 | N | A | -2.2501 | |
| 46 | A | A | 0.0000 | |
| 47 | A | A | 0.0000 | |
| 48 | A | A | -1.6399 | |
| 49 | N | A | -1.5308 | |
| 50 | A | A | 0.0000 | |
| 51 | R | A | -2.5051 | |
| 52 | R | A | -1.6608 | |
| 53 | C | A | 0.0000 | |
| 54 | V | A | -0.6012 | |
| 55 | A | A | -0.7192 | |
| 56 | D | A | -1.4298 | |
| 57 | P | A | -1.3083 | |
| 58 | A | A | -0.8981 | |
| 59 | A | A | -1.2574 | |
| 60 | H | A | -1.6853 | |
| 61 | G | A | -1.5117 | |
| 62 | C | A | 0.0000 | |
| 63 | D | A | -2.2352 | |
| 64 | A | A | -1.3209 | |
| 65 | S | A | -0.8178 | |
| 66 | A | A | 0.0000 | |
| 67 | N | A | 0.0000 | |
| 68 | N | A | -0.9706 | |
| 69 | A | A | -0.6708 | |
| 70 | Y | A | 0.0000 | |
| 71 | S | A | 0.0000 | |
| 72 | S | A | -0.6208 | |
| 73 | R | A | -1.1042 | |
| 74 | A | A | 0.0000 | |
| 75 | C | A | -1.1565 | |
| 76 | N | A | -1.7488 | |
| 77 | A | A | -1.9805 | |
| 78 | H | A | -2.4225 | |
| 79 | D | A | -2.8886 | |
| 80 | L | A | 0.0000 | |
| 81 | N | A | -2.4731 | |
| 82 | S | A | -1.8084 | |
| 83 | T | A | -1.3808 | |
| 84 | Y | A | -1.1031 | |
| 85 | G | A | -1.8372 | |
| 86 | D | A | -2.0348 | |
| 87 | A | A | 0.0000 | |
| 88 | A | A | -1.3096 | |
| 89 | S | A | -1.0653 | |
| 90 | C | A | 0.0000 | |
| 91 | C | A | -0.7002 | |
| 92 | N | A | -1.3205 | |
| 93 | L | A | -1.0595 | |
| 94 | N | A | -1.6390 | |
| 95 | M | A | -1.1522 | |
| 96 | P | A | -1.4762 | |
| 97 | N | A | -2.0418 | |
| 98 | N | A | -1.5008 | |
| 99 | W | A | 0.0000 | |
| 100 | Q | A | -1.6536 | |
| 101 | C | A | -0.5752 | |
| 102 | F | A | 0.0000 | |
| 103 | L | A | 0.0000 | |
| 104 | S | A | -0.1434 | |
| 105 | Y | A | 0.2840 | |
| 106 | A | A | 0.0000 | |
| 107 | D | A | -0.9448 | |
| 108 | A | A | -0.5728 | |
| 109 | D | A | -0.8203 | |
| 110 | P | A | -1.0091 | |
| 111 | G | A | -1.0129 | |
| 112 | A | A | -0.9625 | |
| 113 | H | A | -1.5242 | |
| 114 | S | A | -1.4809 | |
| 115 | H | A | -2.0835 | |
| 116 | Q | A | -2.2587 | |
| 117 | Y | A | -1.7838 | |
| 118 | D | A | -2.4409 | |
| 119 | H | A | -1.5596 | |
| 120 | S | A | -1.1743 | |
| 121 | S | A | -1.2326 | |
| 122 | F | A | 0.0000 | |
| 123 | M | A | -0.6629 | |
| 124 | Q | A | -1.6998 | |
| 125 | Q | A | -1.8289 | |
| 126 | Y | A | 0.0000 | |
| 127 | S | A | -1.1066 | |
| 128 | S | A | -1.3636 | |
| 129 | D | A | -1.8109 | |
| 130 | S | A | -1.6832 | |
| 131 | Q | A | -2.1650 | |
| 132 | Q | A | -2.1095 | |
| 133 | F | A | 0.0000 | |
| 134 | R | A | -1.5285 | |
| 135 | R | A | -1.4944 | |
| 136 | R | A | -1.4653 | |
| 137 | F | A | 0.0000 | |
| 138 | Y | A | 0.0000 | |
| 139 | Y | A | 0.0000 | |
| 140 | Q | A | -0.6973 | |
| 141 | W | A | 0.0000 | |
| 142 | A | A | 0.0000 | |
| 143 | R | A | -0.9313 | |
| 144 | R | A | -1.1795 | |
| 145 | N | A | -0.9191 | |
| 146 | P | A | 0.0000 | |
| 147 | F | A | 0.0000 | |
| 148 | Y | A | 0.0000 | |
| 149 | Q | A | 0.0000 | |
| 150 | H | A | 0.0000 | |
| 151 | T | A | 0.0000 | |
| 152 | F | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | F | A | 0.0000 | |
| 155 | Y | A | -0.1806 | |
| 156 | F | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | Q | A | -0.4905 | |
| 159 | S | A | -0.3482 | |
| 160 | V | A | 0.0000 | |
| 161 | V | A | -0.7056 | |
| 162 | G | A | -0.9503 | |
| 163 | I | A | -0.5280 | |
| 164 | F | A | 0.0000 | |
| 165 | Q | A | -1.6263 | |
| 166 | Q | A | -1.5874 | |
| 167 | C | A | 0.0000 | |
| 168 | M | A | -0.6012 | |
| 169 | S | A | -0.8975 | |
| 170 | S | A | -1.3542 | |
| 171 | Q | A | -1.7962 | |
| 172 | D | A | -1.8944 | |
| 173 | Y | A | -1.0503 | |
| 174 | Q | A | -1.2949 | |
| 175 | A | A | -0.7745 | |
| 176 | C | A | -0.5769 | |
| 177 | F | A | 0.0000 | |
| 178 | Y | A | 0.0233 | |
| 179 | P | A | -0.4402 | |
| 180 | S | A | -0.4799 | |
| 181 | F | A | 0.0000 | |
| 182 | S | A | -0.8631 | |
| 183 | Q | A | -1.5167 | |
| 184 | L | A | 0.0000 | |
| 185 | Q | A | -1.4511 | |
| 186 | S | A | -1.7194 | |
| 187 | Q | A | -1.6496 | |
| 188 | I | A | 0.0000 | |
| 189 | Q | A | -2.0111 | |
| 190 | Q | A | -1.9082 | |
| 191 | A | A | 0.0000 | |
| 192 | A | A | -0.8309 | |
| 193 | F | A | -0.5107 | |
| 194 | Q | A | -0.3991 | |
| 195 | S | A | 0.0000 | |
| 196 | F | A | 0.0000 | |
| 197 | F | A | 0.0833 | |
| 198 | S | A | 0.0000 | |
| 199 | R | A | -0.6717 | |
| 200 | Y | A | 0.0000 | |
| 201 | F | A | 0.0000 | |
| 202 | I | A | 0.0000 | |
| 203 | Q | A | -1.6322 | |
| 204 | H | A | -1.3089 | |
| 205 | F | A | 0.0000 | |
| 206 | G | A | -1.3768 | |
| 207 | Q | A | -1.7732 | |
| 208 | Q | A | -1.6734 | |
| 209 | Q | A | -1.2454 | |
| 210 | L | A | 0.0000 | |
| 211 | R | A | -1.1090 | |
| 212 | R | A | 0.0000 | |
| 213 | F | A | -0.2914 | |
| 214 | F | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | S | A | -0.1308 | |
| 218 | F | A | 0.0162 | |
| 219 | S | A | 0.0000 | |
| 220 | S | A | 0.0000 | |
| 221 | R | A | -0.6324 | |
| 222 | F | A | 0.0000 | |
| 223 | P | A | 0.0000 | |
| 224 | S | A | -0.8175 | |
| 225 | A | A | 0.0000 | |
| 226 | D | A | -2.0781 | |
| 227 | F | A | -1.4713 | |
| 228 | D | A | -2.0202 | |
| 229 | F | A | -0.9220 | |
| 230 | Y | A | 0.0000 | |
| 231 | M | A | -0.7397 | |
| 232 | S | A | -0.3346 | |
| 233 | F | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | S | A | -0.4853 | |
| 236 | S | A | -0.2433 | |
| 237 | R | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | S | A | -0.0178 | |
| 240 | V | A | 0.0000 | |
| 241 | Y | A | 0.0000 | |
| 242 | V | A | -0.1226 | |
| 243 | F | A | 0.3089 | |
| 244 | A | A | 0.0000 | |
| 245 | S | A | -0.6124 | |
| 246 | N | A | -1.4356 | |
| 247 | G | A | 0.0000 | |
| 248 | N | A | -0.3249 | |
| 249 | Y | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | S | A | 0.1899 | |
| 252 | A | A | 0.0000 | |
| 253 | T | A | 0.0000 | |
| 254 | V | A | 0.1714 | |
| 255 | S | A | 0.0294 | |
| 256 | A | A | 0.0000 | |
| 257 | F | A | 0.0000 | |
| 258 | S | A | -0.3626 | |
| 259 | L | A | 0.0000 | |
| 260 | T | A | 0.0000 | |
| 261 | D | A | -1.2010 | |
| 262 | W | A | -0.6050 | |
| 263 | Y | A | 0.0000 | |
| 264 | C | A | -1.0019 | |
| 265 | N | A | -1.6487 | |
| 266 | N | A | -1.2935 | |
| 267 | Y | A | -1.0332 | |
| 268 | D | A | -2.0312 | |
| 269 | S | A | -1.3694 | |
| 270 | I | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | S | A | -1.0055 | |
| 273 | N | A | -0.9289 | |
| 274 | L | A | 0.0000 | |
| 275 | G | A | -0.7618 | |
| 276 | S | A | -0.3905 | |
| 277 | C | A | 0.0000 | |
| 278 | C | A | -0.7155 | |
| 279 | S | A | -0.6612 | |
| 280 | T | A | -1.0074 | |
| 281 | D | A | -1.7694 | |
| 282 | H | A | -1.1940 | |
| 283 | Y | A | -0.5316 | |
| 284 | S | A | -0.5903 | |
| 285 | R | A | -0.8694 | |
| 286 | Y | A | 0.0000 | |
| 287 | Y | A | 0.0275 | |
| 288 | C | A | -0.1447 | |
| 289 | I | A | 0.0000 | |
| 290 | Y | A | -0.1576 | |
| 291 | N | A | -0.8869 | |
| 292 | V | A | 0.0000 | |
| 293 | P | A | -0.7436 | |
| 294 | T | A | -0.8180 | |
| 295 | D | A | -0.6183 | |
| 296 | S | A | -0.2485 | |
| 297 | V | A | -0.0800 | |
| 298 | P | A | -0.5032 | |
| 299 | T | A | -0.7961 | |
| 300 | D | A | -1.7144 | |
| 301 | V | A | -0.7395 | |
| 302 | S | A | -0.6821 | |
| 303 | P | A | -0.4866 | |
| 304 | Y | A | -0.3939 | |
| 305 | S | A | -0.6025 | |
| 306 | T | A | -0.8974 | |
| 307 | S | A | -1.0190 | |
| 308 | F | A | 0.0000 | |
| 309 | A | A | -1.5943 | |
| 310 | D | A | -2.5469 | |
| 311 | D | A | -1.8994 | |
| 312 | P | A | -1.5494 | |
| 313 | N | A | -2.0209 | |
| 314 | V | A | 0.0000 | |
| 315 | M | A | 0.0000 | |
| 316 | S | A | -2.2382 | |
| 317 | K | A | -3.2266 | |
| 318 | Y | A | 0.0000 | |
| 319 | K | A | -3.8442 | |
| 320 | K | A | -3.9917 | |
| 321 | D | A | -3.8481 | |
| 322 | K | A | -3.1453 | |
| 323 | S | A | -1.8577 | |
| 324 | G | A | -1.5314 | |
| 325 | F | A | 0.0000 | |
| 326 | L | A | 0.0000 | |
| 327 | D | A | 0.0000 | |
| 328 | K | A | -1.0553 | |
| 329 | F | A | 0.0000 | |
| 330 | A | A | 0.0000 | |
| 331 | Y | A | 0.0000 | |
| 332 | S | A | -0.3834 | |
| 333 | Y | A | 0.0000 | |
| 334 | A | A | 0.0000 | |
| 335 | R | A | -0.6007 | |
| 336 | Q | A | -0.6258 | |
| 337 | H | A | -0.9280 | |
| 338 | P | A | -1.1763 | |
| 339 | D | A | -2.0911 | |
| 340 | L | A | -1.1060 | |
| 341 | A | A | -0.6762 | |
| 342 | N | A | -0.5411 | |
| 343 | P | A | 0.0000 | |
| 344 | Y | A | 0.0000 | |
| 345 | K | A | 0.0000 | |
| 346 | M | A | 0.0000 | |
| 347 | Y | A | 0.0000 | |
| 348 | I | A | 0.0000 | |
| 349 | V | A | 0.0000 | |
| 350 | D | A | -1.1008 | |
| 351 | S | A | 0.0000 | |
| 352 | Y | A | 0.0000 | |
| 353 | E | A | -1.9977 | |
| 354 | K | A | -2.6265 | |
| 355 | I | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | E | A | -2.8225 | |
| 358 | E | A | -2.7715 | |
| 359 | G | A | 0.0000 | |
| 360 | M | A | -2.1518 | |
| 361 | K | A | -3.1136 | |
| 362 | K | A | -3.1022 | |
| 363 | K | A | -2.8645 | |
| 364 | D | A | -2.0253 | |
| 365 | P | A | -1.4624 | |
| 366 | Y | A | -0.3890 | |
| 367 | S | A | -0.8481 | |
| 368 | V | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | K | A | -2.5634 | |
| 371 | N | A | -2.4627 | |
| 372 | V | A | 0.0000 | |
| 373 | Y | A | -1.9833 | |
| 374 | E | A | -3.4340 | |
| 375 | K | A | -2.8946 | |
| 376 | L | A | 0.0000 | |
| 377 | K | A | -3.6930 | |
| 378 | K | A | -3.8287 | |
| 379 | Y | A | -2.3451 | |
| 380 | V | A | 0.0000 | |
| 381 | E | A | -3.2194 | |
| 382 | K | A | -3.0430 | |
| 383 | F | A | 0.0000 | |
| 384 | K | A | -2.4221 | |
| 385 | P | A | -1.6303 | |
| 386 | I | A | -1.2036 | |
| 387 | V | A | 0.0000 | |
| 388 | K | A | -2.5557 | |
| 389 | K | A | -2.6560 | |
| 390 | Y | A | 0.0000 | |
| 391 | C | A | 0.0000 | |
| 392 | E | A | -3.3505 | |
| 393 | I | A | -2.1365 | |
| 394 | Y | A | -2.3904 | |
| 395 | K | A | -3.4747 | |
| 396 | K | A | -2.6624 | |
| 397 | Y | A | -1.1799 | |
| 398 | G | A | -1.8644 | |
| 399 | K | A | -2.2368 | |
| 400 | K | A | -1.7517 | |
| 401 | G | A | -1.0615 | |
| 402 | F | A | 0.0000 | |
| 403 | T | A | -0.5688 | |
| 404 | Y | A | 0.0000 | |
| 405 | Y | A | -0.2825 | |
| 406 | Y | A | 0.0000 | |
| 407 | A | A | 0.0000 | |
| 408 | R | A | -0.7805 | |
| 409 | E | A | -0.5002 | |
| 410 | V | A | 0.0000 | |
| 411 | T | A | 0.0000 | |
| 412 | R | A | -1.3266 | |
| 413 | K | A | -1.4120 | |
| 414 | Y | A | 0.0000 | |
| 415 | P | A | 0.0000 | |
| 416 | H | A | -0.5070 | |
| 417 | Y | A | 0.0000 | |
| 418 | P | A | -0.7336 | |
| 419 | T | A | -1.2732 | |
| 420 | D | A | -2.2395 | |
| 421 | V | A | 0.0000 | |
| 422 | Y | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | K | A | -1.3261 | |
| 425 | F | A | 0.0000 | |
| 426 | S | A | 0.0000 | |
| 427 | I | A | -0.4600 | |
| 428 | K | A | -0.8649 | |
| 429 | Y | A | 0.0000 | |
| 430 | G | A | 0.0000 | |
| 431 | E | A | -2.2006 | |
| 432 | Y | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | E | A | -2.6908 | |
| 435 | T | A | -1.3895 | |
| 436 | C | A | 0.0000 | |
| 437 | C | A | 0.0000 | |
| 438 | D | A | -2.4067 | |
| 439 | Y | A | -1.6050 | |
| 440 | P | A | -2.2376 | |
| 441 | E | A | -3.6486 | |
| 442 | E | A | -3.5337 | |
| 443 | E | A | -3.3440 | |
| 444 | Q | A | -2.4127 | |
| 445 | Y | A | 0.0000 | |
| 446 | P | A | -1.4830 | |
| 447 | C | A | -0.7464 | |
| 448 | F | A | 0.0000 | |
| 449 | Y | A | 0.0000 | |
| 450 | E | A | -0.6570 | |
| 451 | K | A | -0.6167 | |
| 452 | Y | A | 0.0000 | |
| 453 | Y | A | 0.0000 | |
| 454 | L | A | 0.2375 | |
| 455 | V | A | 0.0000 | |
| 456 | Y | A | 0.0000 | |
| 457 | T | A | 0.0000 | |
| 458 | E | A | -0.0925 | |
| 459 | L | A | 0.0000 | |
| 460 | C | A | 0.0000 | |
| 461 | A | A | 0.0000 | |
| 462 | Y | A | 0.1793 | |
| 463 | S | A | 0.0000 | |
| 464 | Y | A | 0.6830 | |
| 465 | V | A | 0.3641 | |
| 466 | N | A | 0.0682 | |
| 467 | P | A | 0.1346 | |
| 468 | V | A | 0.2930 | |
| 469 | D | A | 0.0000 | |
| 470 | P | A | -0.5923 | |
| 471 | R | A | -0.8150 | |
| 472 | Y | A | 0.0000 | |
| 473 | Y | A | -0.6224 | |
| 474 | K | A | -2.1769 | |
| 475 | I | A | 0.0000 | |
| 476 | C | A | 0.0000 | |
| 477 | T | A | -1.4859 | |
| 478 | E | A | -2.3308 | |
| 479 | S | A | -1.3113 | |
| 480 | P | A | 0.0000 | |
| 481 | Y | A | 0.0000 | |
| 482 | T | A | -0.7418 | |
| 483 | M | A | 0.0000 | |
| 484 | I | A | 0.0000 | |
| 485 | E | A | -1.3415 | |
| 486 | N | A | -1.7785 | |
| 487 | F | A | 0.0000 | |
| 488 | F | A | -0.9859 | |
| 489 | N | A | -1.9450 | |
| 490 | L | A | -1.6316 | |
| 491 | E | A | -2.5704 | |
| 492 | P | A | -2.2363 | |
| 493 | S | A | -2.3877 | |
| 494 | D | A | -3.2125 | |
| 495 | D | A | -3.0821 | |
| 496 | Y | A | -2.5216 | |
| 497 | E | A | -2.9017 | |
| 498 | P | A | -1.8889 | |
| 499 | E | A | -1.8951 | |
| 500 | P | A | -1.3029 | |
| 501 | F | A | -1.1951 | |
| 502 | D | A | -2.1621 | |
| 503 | E | A | -2.4912 | |
| 504 | S | A | -1.7995 | |
| 505 | K | A | -2.2824 | |
| 506 | F | A | 0.0000 | |
| 507 | T | A | -1.2113 | |
| 508 | F | A | 0.0000 | |
| 509 | T | A | -1.2544 | |
| 510 | P | A | -1.6319 | |
| 511 | E | A | -1.7485 | |
| 512 | I | A | 0.0000 | |
| 513 | M | A | -0.6486 | |
| 514 | T | A | -0.7149 | |
| 515 | Y | A | -1.1999 | |
| 516 | P | A | -1.9341 | |
| 517 | K | A | -3.2928 | |
| 518 | E | A | -3.6602 | |
| 519 | E | A | -2.7316 | |
| 520 | Q | A | -2.5397 | |
| 521 | E | A | -3.0227 | |
| 522 | E | A | -2.3407 | |
| 523 | L | A | -1.0554 | |
| 524 | L | A | -0.6847 | |
| 525 | L | A | 0.0000 | |
| 526 | R | A | -1.3653 | |
| 527 | F | A | 0.0000 | |
| 528 | V | A | 0.0000 | |
| 529 | V | A | 0.0000 | |
| 530 | E | A | -0.9214 | |
| 531 | L | A | 0.0000 | |
| 532 | F | A | 0.0000 | |
| 533 | K | A | 0.0000 | |
| 534 | T | A | 0.0000 | |
| 535 | Y | A | -0.7725 | |
| 536 | P | A | -1.2340 | |
| 537 | N | A | -1.5988 | |
| 538 | V | A | 0.0000 | |
| 539 | S | A | -2.3372 | |
| 540 | D | A | -3.5536 | |
| 541 | E | A | -3.7117 | |
| 542 | K | A | -2.9563 | |
| 543 | F | A | 0.0000 | |
| 544 | E | A | -3.3342 | |
| 545 | E | A | -3.2427 | |
| 546 | I | A | 0.0000 | |
| 547 | L | A | -2.0692 | |
| 548 | K | A | -3.0901 | |
| 549 | L | A | -2.1066 | |
| 550 | L | A | 0.0000 | |
| 551 | E | A | -3.3053 | |
| 552 | E | A | -3.7261 | |
| 553 | L | A | 0.0000 | |
| 554 | I | A | 0.0000 | |
| 555 | K | A | -3.3759 | |
| 556 | K | A | -3.2017 | |
| 557 | C | A | 0.0000 | |
| 558 | M | A | -1.8091 | |
| 559 | S | A | -1.7689 | |
| 560 | S | A | -2.4718 | |
| 561 | D | A | -2.9299 | |
| 562 | D | A | -3.2327 | |
| 563 | K | A | -3.3811 | |
| 564 | E | A | -3.4773 | |
| 565 | A | A | -2.6643 | |
| 566 | C | A | -2.6704 | |
| 567 | F | A | 0.0000 | |
| 568 | K | A | -2.8855 | |
| 569 | K | A | -2.5305 | |
| 570 | L | A | -1.1841 | |
| 571 | N | A | 0.0000 | |
| 572 | P | A | -1.0880 | |
| 573 | I | A | -0.4066 | |
| 574 | F | A | 0.0000 | |
| 575 | I | A | 0.0000 | |
| 576 | K | A | -2.6252 | |
| 577 | K | A | -2.3420 | |
| 578 | V | A | 0.0000 | |
| 579 | K | A | -2.2662 | |
| 580 | E | A | -2.8454 | |
| 581 | L | A | -1.6452 | |
| 582 | M | A | -1.2485 | |
| 583 | S | A | -0.9682 |
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 | -0.8261 | 2.5229 | View | CSV | PDB |
| 4.5 | -0.9072 | 2.5249 | View | CSV | PDB |
| 5.0 | -1.0023 | 2.5295 | View | CSV | PDB |
| 5.5 | -1.0955 | 2.5377 | View | CSV | PDB |
| 6.0 | -1.1693 | 2.5469 | View | CSV | PDB |
| 6.5 | -1.2115 | 2.5535 | View | CSV | PDB |
| 7.0 | -1.222 | 2.5567 | View | CSV | PDB |
| 7.5 | -1.2109 | 2.5579 | View | CSV | PDB |
| 8.0 | -1.1864 | 2.5583 | View | CSV | PDB |
| 8.5 | -1.1496 | 2.5582 | View | CSV | PDB |
| 9.0 | -1.0991 | 2.5575 | 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