| Chain sequence(s) |
A: MLRRALLCLAVAALVRADAPEEEDHVLVLRKSNFAEALAAHKYLLVEFYAPWCGHCKALAPEYAKAAGKLKAEGSEIRLAKVDATEESDLAQQYGVRGYPTIKFFRNGDTASPKEYTAGREADDIVNWLKKRTGPAATTLPDGAAAESLVESSEVAVIGFFKDVESDSAKQFLQAAEAIDDIPFGITSNSDVFSKYQLDKDGVVLFKKFDEGRNNFEGEVTKENLLDFIKHNQLPLVIEFTEQTAPKIFGGEIKTHILLFLPKSVSDYDGKLSNFKTAAESFKGKILFIFIDSDHTDNQRILEFFGLKKEECPAVRLITLEEEMTKYKPESEELTAERITEFCHRFLEGKIKPHLMSQELPEDWDKQPVKVLVGKNFEDVAFDEKKNVFVEFYAPWCGHCKQLAPIWDKLGETYKDHENIVIAKMDSTANEVEAVKVHSFPTLKFFPASADRTVIDYNGERTLDGFKKFLESGGQDGAGDDDDLEDLEEAEEPDMEEDDDQKAVKDEL
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 (00:09:36)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ff242dba680d5b4/tmp/folded.pdb (00:09:36)
[INFO] Main: Simulation completed successfully. (00:12:09)
|
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 | 1.1139 | |
| 2 | L | A | 0.7010 | |
| 3 | R | A | -1.5109 | |
| 4 | R | A | -1.5888 | |
| 5 | A | A | 0.1392 | |
| 6 | L | A | 2.0033 | |
| 7 | L | A | 2.8755 | |
| 8 | C | A | 2.9118 | |
| 9 | L | A | 3.0606 | |
| 10 | A | A | 2.0944 | |
| 11 | V | A | 2.5889 | |
| 12 | A | A | 1.8606 | |
| 13 | A | A | 1.6203 | |
| 14 | L | A | 2.1453 | |
| 15 | V | A | 1.4161 | |
| 16 | R | A | -0.9920 | |
| 17 | A | A | -1.3036 | |
| 18 | D | A | -2.5429 | |
| 19 | A | A | -1.9575 | |
| 20 | P | A | -2.1429 | |
| 21 | E | A | -3.1778 | |
| 22 | E | A | -3.5455 | |
| 23 | E | A | -3.8668 | |
| 24 | D | A | -3.4963 | |
| 25 | H | A | -3.1363 | |
| 26 | V | A | 0.0000 | |
| 27 | L | A | 0.0000 | |
| 28 | V | A | -1.6404 | |
| 29 | L | A | 0.0000 | |
| 30 | R | A | -1.8913 | |
| 31 | K | A | -2.7393 | |
| 32 | S | A | -1.6903 | |
| 33 | N | A | -1.8270 | |
| 34 | F | A | 0.0000 | |
| 35 | A | A | -1.0712 | |
| 36 | E | A | -1.8517 | |
| 37 | A | A | 0.0000 | |
| 38 | L | A | 0.0000 | |
| 39 | A | A | -1.0418 | |
| 40 | A | A | -0.7731 | |
| 41 | H | A | -1.4519 | |
| 42 | K | A | -2.0227 | |
| 43 | Y | A | 0.0000 | |
| 44 | L | A | 0.0000 | |
| 45 | L | A | 0.0000 | |
| 46 | V | A | 0.0000 | |
| 47 | E | A | 0.0000 | |
| 48 | F | A | 0.0000 | |
| 49 | Y | A | -0.2493 | |
| 50 | A | A | 0.0000 | |
| 51 | P | A | -0.1747 | |
| 52 | W | A | 0.6687 | |
| 53 | C | A | 0.0000 | |
| 54 | G | A | -1.1966 | |
| 55 | H | A | -1.6974 | |
| 56 | C | A | 0.0000 | |
| 57 | K | A | -2.0141 | |
| 58 | A | A | -1.7704 | |
| 59 | L | A | 0.0000 | |
| 60 | A | A | -1.5054 | |
| 61 | P | A | -1.5411 | |
| 62 | E | A | -2.4156 | |
| 63 | Y | A | 0.0000 | |
| 64 | A | A | -2.0454 | |
| 65 | K | A | -2.8602 | |
| 66 | A | A | 0.0000 | |
| 67 | A | A | 0.0000 | |
| 68 | G | A | -2.2597 | |
| 69 | K | A | -2.4144 | |
| 70 | L | A | 0.0000 | |
| 71 | K | A | -2.7198 | |
| 72 | A | A | -1.8729 | |
| 73 | E | A | -2.8302 | |
| 74 | G | A | -2.2722 | |
| 75 | S | A | -2.3517 | |
| 76 | E | A | -2.6369 | |
| 77 | I | A | 0.0000 | |
| 78 | R | A | -1.1233 | |
| 79 | L | A | 0.0000 | |
| 80 | A | A | 0.0000 | |
| 81 | K | A | -0.6190 | |
| 82 | V | A | 0.0000 | |
| 83 | D | A | -0.9033 | |
| 84 | A | A | 0.0000 | |
| 85 | T | A | -1.1449 | |
| 86 | E | A | -2.5235 | |
| 87 | E | A | -2.4256 | |
| 88 | S | A | -2.3950 | |
| 89 | D | A | -3.1935 | |
| 90 | L | A | 0.0000 | |
| 91 | A | A | 0.0000 | |
| 92 | Q | A | -2.7551 | |
| 93 | Q | A | -2.2495 | |
| 94 | Y | A | -1.3472 | |
| 95 | G | A | -1.5034 | |
| 96 | V | A | -1.4793 | |
| 97 | R | A | -2.0117 | |
| 98 | G | A | -0.8600 | |
| 99 | Y | A | -0.1390 | |
| 100 | P | A | -0.4943 | |
| 101 | T | A | -0.5358 | |
| 102 | I | A | 0.0000 | |
| 103 | K | A | 0.0000 | |
| 104 | F | A | 0.0000 | |
| 105 | F | A | 0.0000 | |
| 106 | R | A | -1.8248 | |
| 107 | N | A | -2.1237 | |
| 108 | G | A | -1.6277 | |
| 109 | D | A | -1.6175 | |
| 110 | T | A | -0.9218 | |
| 111 | A | A | -0.4026 | |
| 112 | S | A | -0.8261 | |
| 113 | P | A | -1.0972 | |
| 114 | K | A | -1.7779 | |
| 115 | E | A | -2.1454 | |
| 116 | Y | A | 0.0000 | |
| 117 | T | A | -0.8983 | |
| 118 | A | A | -1.2364 | |
| 119 | G | A | -2.2339 | |
| 120 | R | A | -3.4317 | |
| 121 | E | A | -3.8443 | |
| 122 | A | A | 0.0000 | |
| 123 | D | A | -3.3392 | |
| 124 | D | A | -3.0654 | |
| 125 | I | A | 0.0000 | |
| 126 | V | A | 0.0000 | |
| 127 | N | A | -2.4545 | |
| 128 | W | A | -1.9229 | |
| 129 | L | A | 0.0000 | |
| 130 | K | A | -2.7287 | |
| 131 | K | A | -3.0031 | |
| 132 | R | A | -2.5256 | |
| 133 | T | A | -2.0393 | |
| 134 | G | A | -1.5308 | |
| 135 | P | A | -0.8812 | |
| 136 | A | A | -0.6626 | |
| 137 | A | A | 0.0000 | |
| 138 | T | A | -0.2024 | |
| 139 | T | A | -0.3071 | |
| 140 | L | A | 0.0000 | |
| 141 | P | A | -1.1832 | |
| 142 | D | A | -1.9738 | |
| 143 | G | A | -1.5546 | |
| 144 | A | A | -0.6124 | |
| 145 | A | A | -0.6204 | |
| 146 | A | A | 0.0000 | |
| 147 | E | A | -1.4955 | |
| 148 | S | A | -1.1031 | |
| 149 | L | A | -0.7382 | |
| 150 | V | A | -1.4578 | |
| 151 | E | A | -2.6185 | |
| 152 | S | A | -1.4879 | |
| 153 | S | A | -1.9509 | |
| 154 | E | A | -2.7272 | |
| 155 | V | A | 0.0000 | |
| 156 | A | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | G | A | 0.0000 | |
| 160 | F | A | 0.0000 | |
| 161 | F | A | 0.0000 | |
| 162 | K | A | -3.2356 | |
| 163 | D | A | -2.8263 | |
| 164 | V | A | -1.7733 | |
| 165 | E | A | -2.9337 | |
| 166 | S | A | -2.7078 | |
| 167 | D | A | -2.9081 | |
| 168 | S | A | -2.3058 | |
| 169 | A | A | 0.0000 | |
| 170 | K | A | -2.9409 | |
| 171 | Q | A | -2.5397 | |
| 172 | F | A | 0.0000 | |
| 173 | L | A | -1.1450 | |
| 174 | Q | A | -1.8272 | |
| 175 | A | A | 0.0000 | |
| 176 | A | A | 0.0000 | |
| 177 | E | A | -1.2290 | |
| 178 | A | A | -1.0326 | |
| 179 | I | A | -0.9871 | |
| 180 | D | A | -2.0439 | |
| 181 | D | A | -2.1262 | |
| 182 | I | A | -1.2662 | |
| 183 | P | A | -0.6781 | |
| 184 | F | A | 0.0000 | |
| 185 | G | A | 0.0000 | |
| 186 | I | A | 0.0000 | |
| 187 | T | A | 0.0000 | |
| 188 | S | A | -1.7306 | |
| 189 | N | A | -2.0329 | |
| 190 | S | A | -2.4128 | |
| 191 | D | A | -2.7884 | |
| 192 | V | A | 0.0000 | |
| 193 | F | A | 0.0000 | |
| 194 | S | A | -2.3767 | |
| 195 | K | A | -2.1628 | |
| 196 | Y | A | 0.0000 | |
| 197 | Q | A | -2.2908 | |
| 198 | L | A | -2.4667 | |
| 199 | D | A | -3.1735 | |
| 200 | K | A | -3.3189 | |
| 201 | D | A | -2.3752 | |
| 202 | G | A | -1.8450 | |
| 203 | V | A | 0.0000 | |
| 204 | V | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | F | A | 0.0000 | |
| 207 | K | A | 0.0000 | |
| 208 | K | A | -3.0334 | |
| 209 | F | A | -1.8328 | |
| 210 | D | A | -2.0100 | |
| 211 | E | A | -2.6225 | |
| 212 | G | A | -2.2175 | |
| 213 | R | A | -1.8123 | |
| 214 | N | A | -1.6222 | |
| 215 | N | A | -1.6486 | |
| 216 | F | A | -1.6418 | |
| 217 | E | A | -2.6252 | |
| 218 | G | A | -2.3174 | |
| 219 | E | A | -2.6804 | |
| 220 | V | A | -2.1026 | |
| 221 | T | A | -2.1415 | |
| 222 | K | A | -2.5016 | |
| 223 | E | A | -2.9701 | |
| 224 | N | A | -2.7932 | |
| 225 | L | A | 0.0000 | |
| 226 | L | A | -1.7869 | |
| 227 | D | A | -2.6885 | |
| 228 | F | A | -2.0873 | |
| 229 | I | A | 0.0000 | |
| 230 | K | A | -2.1624 | |
| 231 | H | A | -2.2353 | |
| 232 | N | A | -1.3900 | |
| 233 | Q | A | -1.4594 | |
| 234 | L | A | -0.7138 | |
| 235 | P | A | -0.9474 | |
| 236 | L | A | -1.0959 | |
| 237 | V | A | 0.0000 | |
| 238 | I | A | 0.0000 | |
| 239 | E | A | -1.1793 | |
| 240 | F | A | -0.9621 | |
| 241 | T | A | -1.7945 | |
| 242 | E | A | -2.8014 | |
| 243 | Q | A | -2.3472 | |
| 244 | T | A | -1.4943 | |
| 245 | A | A | -1.2232 | |
| 246 | P | A | -1.1016 | |
| 247 | K | A | -1.4672 | |
| 248 | I | A | 0.0000 | |
| 249 | F | A | 0.0312 | |
| 250 | G | A | -0.8818 | |
| 251 | G | A | -1.3336 | |
| 252 | E | A | -2.1375 | |
| 253 | I | A | -1.3946 | |
| 254 | K | A | -1.5275 | |
| 255 | T | A | -0.9420 | |
| 256 | H | A | 0.0000 | |
| 257 | I | A | 0.0000 | |
| 258 | L | A | 0.0000 | |
| 259 | L | A | 0.0000 | |
| 260 | F | A | 0.0000 | |
| 261 | L | A | 0.0000 | |
| 262 | P | A | 0.0000 | |
| 263 | K | A | -2.6749 | |
| 264 | S | A | -1.4773 | |
| 265 | V | A | -1.2645 | |
| 266 | S | A | -1.4827 | |
| 267 | D | A | -2.6183 | |
| 268 | Y | A | -2.1073 | |
| 269 | D | A | -2.6309 | |
| 270 | G | A | -1.8080 | |
| 271 | K | A | -1.5442 | |
| 272 | L | A | -1.0879 | |
| 273 | S | A | -1.2658 | |
| 274 | N | A | -1.4353 | |
| 275 | F | A | 0.0000 | |
| 276 | K | A | -1.3415 | |
| 277 | T | A | -1.3805 | |
| 278 | A | A | 0.0000 | |
| 279 | A | A | 0.0000 | |
| 280 | E | A | -2.5926 | |
| 281 | S | A | -1.9885 | |
| 282 | F | A | 0.0000 | |
| 283 | K | A | -3.0386 | |
| 284 | G | A | -2.5796 | |
| 285 | K | A | -2.5748 | |
| 286 | I | A | 0.0000 | |
| 287 | L | A | -0.8217 | |
| 288 | F | A | 0.0000 | |
| 289 | I | A | 0.0000 | |
| 290 | F | A | 0.0000 | |
| 291 | I | A | 0.0000 | |
| 292 | D | A | -1.8090 | |
| 293 | S | A | 0.0000 | |
| 294 | D | A | -2.8481 | |
| 295 | H | A | -2.2545 | |
| 296 | T | A | -1.9280 | |
| 297 | D | A | -2.8597 | |
| 298 | N | A | 0.0000 | |
| 299 | Q | A | -2.8039 | |
| 300 | R | A | -2.6198 | |
| 301 | I | A | -1.2388 | |
| 302 | L | A | 0.0000 | |
| 303 | E | A | -2.6766 | |
| 304 | F | A | -0.4653 | |
| 305 | F | A | 0.0000 | |
| 306 | G | A | -1.4821 | |
| 307 | L | A | 0.0000 | |
| 308 | K | A | -4.2145 | |
| 309 | K | A | -4.4775 | |
| 310 | E | A | -4.0484 | |
| 311 | E | A | -4.0114 | |
| 312 | C | A | -2.6917 | |
| 313 | P | A | -1.8008 | |
| 314 | A | A | -1.7321 | |
| 315 | V | A | 0.0000 | |
| 316 | R | A | -0.5464 | |
| 317 | L | A | 0.0000 | |
| 318 | I | A | 0.0000 | |
| 319 | T | A | -0.8518 | |
| 320 | L | A | -1.3843 | |
| 321 | E | A | -2.8797 | |
| 322 | E | A | -3.1731 | |
| 323 | E | A | -2.2936 | |
| 324 | M | A | -1.0283 | |
| 325 | T | A | -0.8176 | |
| 326 | K | A | 0.0000 | |
| 327 | Y | A | -0.9454 | |
| 328 | K | A | -1.9930 | |
| 329 | P | A | -2.7417 | |
| 330 | E | A | -2.8507 | |
| 331 | S | A | -2.7465 | |
| 332 | E | A | -3.4511 | |
| 333 | E | A | -3.1076 | |
| 334 | L | A | -1.7942 | |
| 335 | T | A | -2.0335 | |
| 336 | A | A | -2.0747 | |
| 337 | E | A | -3.2615 | |
| 338 | R | A | -3.9762 | |
| 339 | I | A | 0.0000 | |
| 340 | T | A | -2.5631 | |
| 341 | E | A | -3.1679 | |
| 342 | F | A | 0.0000 | |
| 343 | C | A | 0.0000 | |
| 344 | H | A | -2.4690 | |
| 345 | R | A | -3.0411 | |
| 346 | F | A | -2.0626 | |
| 347 | L | A | -1.5864 | |
| 348 | E | A | -2.7697 | |
| 349 | G | A | -2.5048 | |
| 350 | K | A | -3.1040 | |
| 351 | I | A | -2.5436 | |
| 352 | K | A | -2.3254 | |
| 353 | P | A | -1.3944 | |
| 354 | H | A | -0.9094 | |
| 355 | L | A | -0.4361 | |
| 356 | M | A | 0.0000 | |
| 357 | S | A | -1.3421 | |
| 358 | Q | A | -2.0488 | |
| 359 | E | A | -2.6318 | |
| 360 | L | A | -1.7551 | |
| 361 | P | A | -2.1072 | |
| 362 | E | A | -3.1606 | |
| 363 | D | A | -3.5375 | |
| 364 | W | A | -2.3619 | |
| 365 | D | A | -3.2356 | |
| 366 | K | A | -3.6920 | |
| 367 | Q | A | -3.4514 | |
| 368 | P | A | -3.3003 | |
| 369 | V | A | 0.0000 | |
| 370 | K | A | -1.8561 | |
| 371 | V | A | -0.7542 | |
| 372 | L | A | 0.0000 | |
| 373 | V | A | 0.0000 | |
| 374 | G | A | -1.8241 | |
| 375 | K | A | -2.5091 | |
| 376 | N | A | 0.0000 | |
| 377 | F | A | 0.0000 | |
| 378 | E | A | -2.1015 | |
| 379 | D | A | -2.5393 | |
| 380 | V | A | -1.4287 | |
| 381 | A | A | 0.0000 | |
| 382 | F | A | -2.0458 | |
| 383 | D | A | -2.6201 | |
| 384 | E | A | -3.6375 | |
| 385 | K | A | -3.3498 | |
| 386 | K | A | -2.6830 | |
| 387 | N | A | -1.6112 | |
| 388 | V | A | 0.0000 | |
| 389 | F | A | 0.0000 | |
| 390 | V | A | 0.0000 | |
| 391 | E | A | 0.0000 | |
| 392 | F | A | 0.0000 | |
| 393 | Y | A | -0.0758 | |
| 394 | A | A | 0.0000 | |
| 395 | P | A | 0.0019 | |
| 396 | W | A | 0.6878 | |
| 397 | C | A | 0.0000 | |
| 398 | G | A | -1.6515 | |
| 399 | H | A | -1.9226 | |
| 400 | C | A | 0.0000 | |
| 401 | K | A | -2.4975 | |
| 402 | Q | A | -2.5026 | |
| 403 | L | A | 0.0000 | |
| 404 | A | A | -1.7200 | |
| 405 | P | A | -1.5024 | |
| 406 | I | A | -1.6310 | |
| 407 | W | A | 0.0000 | |
| 408 | D | A | -3.1839 | |
| 409 | K | A | -3.1804 | |
| 410 | L | A | 0.0000 | |
| 411 | G | A | 0.0000 | |
| 412 | E | A | -3.9944 | |
| 413 | T | A | -2.5356 | |
| 414 | Y | A | 0.0000 | |
| 415 | K | A | -4.0937 | |
| 416 | D | A | -3.7527 | |
| 417 | H | A | -3.3542 | |
| 418 | E | A | -3.4493 | |
| 419 | N | A | -2.9864 | |
| 420 | I | A | 0.0000 | |
| 421 | V | A | -1.0656 | |
| 422 | I | A | 0.0000 | |
| 423 | A | A | 0.0000 | |
| 424 | K | A | -0.5884 | |
| 425 | M | A | 0.0000 | |
| 426 | D | A | -0.4089 | |
| 427 | S | A | -0.0699 | |
| 428 | T | A | -0.2153 | |
| 429 | A | A | -0.7009 | |
| 430 | N | A | 0.0000 | |
| 431 | E | A | -0.9853 | |
| 432 | V | A | -1.3534 | |
| 433 | E | A | -2.1277 | |
| 434 | A | A | -1.3807 | |
| 435 | V | A | 0.0000 | |
| 436 | K | A | -2.4735 | |
| 437 | V | A | -1.0453 | |
| 438 | H | A | -1.4167 | |
| 439 | S | A | -0.4115 | |
| 440 | F | A | 0.0512 | |
| 441 | P | A | 0.0000 | |
| 442 | T | A | -0.5744 | |
| 443 | L | A | 0.0000 | |
| 444 | K | A | -0.5768 | |
| 445 | F | A | 0.0000 | |
| 446 | F | A | 0.0000 | |
| 447 | P | A | -1.3382 | |
| 448 | A | A | -2.3710 | |
| 449 | S | A | -2.2106 | |
| 450 | A | A | -2.0575 | |
| 451 | D | A | -2.6395 | |
| 452 | R | A | -2.4531 | |
| 453 | T | A | -0.8882 | |
| 454 | V | A | -0.0421 | |
| 455 | I | A | -0.6560 | |
| 456 | D | A | -1.9582 | |
| 457 | Y | A | 0.0000 | |
| 458 | N | A | -2.4031 | |
| 459 | G | A | -2.6366 | |
| 460 | E | A | -3.1901 | |
| 461 | R | A | -2.3821 | |
| 462 | T | A | -1.4497 | |
| 463 | L | A | -1.7448 | |
| 464 | D | A | -2.6239 | |
| 465 | G | A | -2.7146 | |
| 466 | F | A | 0.0000 | |
| 467 | K | A | -2.6079 | |
| 468 | K | A | -3.9128 | |
| 469 | F | A | 0.0000 | |
| 470 | L | A | 0.0000 | |
| 471 | E | A | -3.0999 | |
| 472 | S | A | -2.5291 | |
| 473 | G | A | -1.9358 | |
| 474 | G | A | 0.0000 | |
| 475 | Q | A | -2.7848 | |
| 476 | D | A | -3.6363 | |
| 477 | G | A | -2.8430 | |
| 478 | A | A | -2.3334 | |
| 479 | G | A | -2.9369 | |
| 480 | D | A | -3.7328 | |
| 481 | D | A | -3.6764 | |
| 482 | D | A | -3.8520 | |
| 483 | D | A | -3.3697 | |
| 484 | L | A | -1.2405 | |
| 485 | E | A | -2.4992 | |
| 486 | D | A | -2.8101 | |
| 487 | L | A | -1.2257 | |
| 488 | E | A | -2.9020 | |
| 489 | E | A | -3.1068 | |
| 490 | A | A | -2.5936 | |
| 491 | E | A | -3.6607 | |
| 492 | E | A | -3.3701 | |
| 493 | P | A | -2.4833 | |
| 494 | D | A | -2.9408 | |
| 495 | M | A | -1.8781 | |
| 496 | E | A | -3.5587 | |
| 497 | E | A | -4.3086 | |
| 498 | D | A | -4.6598 | |
| 499 | D | A | -4.9672 | |
| 500 | D | A | -4.5732 | |
| 501 | Q | A | -3.4457 | |
| 502 | K | A | -2.9055 | |
| 503 | A | A | -1.1906 | |
| 504 | V | A | -0.3327 | |
| 505 | K | A | -2.1946 | |
| 506 | D | A | -2.5932 | |
| 507 | E | A | -2.1507 | |
| 508 | L | A | 0.0305 |
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 | -1.0335 | 4.5475 | View | CSV | PDB |
| 4.5 | -1.1854 | 4.5475 | View | CSV | PDB |
| 5.0 | -1.3706 | 4.5475 | View | CSV | PDB |
| 5.5 | -1.5584 | 4.5475 | View | CSV | PDB |
| 6.0 | -1.7183 | 4.5475 | View | CSV | PDB |
| 6.5 | -1.8268 | 4.5475 | View | CSV | PDB |
| 7.0 | -1.8803 | 4.5475 | View | CSV | PDB |
| 7.5 | -1.8952 | 4.5475 | View | CSV | PDB |
| 8.0 | -1.8875 | 4.5475 | View | CSV | PDB |
| 8.5 | -1.8621 | 4.5475 | View | CSV | PDB |
| 9.0 | -1.8165 | 4.5475 | 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