| Chain sequence(s) | MVLSEVWTTLSGVSGVCLACSLLSAAVVLRWTGRQKARGAATRARQKQRASLETMDKAVQRFRLQNPDLDSEALLTLPLLQLVQKLQSGELSPEAVFFTYLGKAWEVNKGTNCVTSYLTDCETQLSQAPRQGLLYGVPVSLKECFSYKGHDSTLGLSLNEGMPSESDCVVVQVLKLQGAVPFVHTNVPQSMLSFDCSNPLFGQTMNPWKSSKSPGGSSGGEGALIGSGGSPLGLGTDIGGSIRFPSAFCGICGLKPTGNRLSKSGLKGCVYGQTAVQLSLGPMARDVESLALCLKALLCEHLFTLDPTVPPLPFREEVYRSSRPLRVGYYETDNYTMPSPAMRRALIETKQRLEAAGHTLIPFLPNNIPYALEVLSAGGLFSDGGRSFLQNFKGDFVDPCLGDLILILRLPSWFKRLLSLLLKPLFPRLAAFLNSMRPRSAEKLWKLQHEIEMYRQSVIAQWKAMNLDVLLTPMLGPALDLNTPGRATGAISYTVLYNCLDFPAGVVPVTTVTAEDDAQMELYKGYFGDIWDIILKKAMKNSVGLPVAVQCVALPWQEELCLRFMREVEQLMTPQKQPS input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:12:18)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/551ce1929f4369/tmp/folded.pdb (00:12:18)
[INFO] Main: Simulation completed successfully. (00:20:36)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 2.0041 | |
| 2 | V | A | 2.7754 | |
| 3 | L | A | 2.6804 | |
| 4 | S | A | 1.2906 | |
| 5 | E | A | 0.3976 | |
| 6 | V | A | 1.9614 | |
| 7 | W | A | 1.9805 | |
| 8 | T | A | 0.6508 | |
| 9 | T | A | 1.0936 | |
| 10 | L | A | 2.5606 | |
| 11 | S | A | 1.5421 | |
| 12 | G | A | 1.5418 | |
| 13 | V | A | 2.7316 | |
| 14 | S | A | 2.0618 | |
| 15 | G | A | 2.7116 | |
| 16 | V | A | 3.6445 | |
| 17 | C | A | 3.3907 | |
| 18 | L | A | 3.5393 | |
| 19 | A | A | 2.9606 | |
| 20 | C | A | 2.8302 | |
| 21 | S | A | 2.4746 | |
| 22 | L | A | 3.4503 | |
| 23 | L | A | 3.4586 | |
| 24 | S | A | 2.3211 | |
| 25 | A | A | 2.3493 | |
| 26 | A | A | 2.3253 | |
| 27 | V | A | 2.7020 | |
| 28 | V | A | 3.1460 | |
| 29 | L | A | 2.2098 | |
| 30 | R | A | -0.0301 | |
| 31 | W | A | 0.8576 | |
| 32 | T | A | 0.0148 | |
| 33 | G | A | -0.9330 | |
| 34 | R | A | -1.9384 | |
| 35 | Q | A | -2.7571 | |
| 36 | K | A | -2.6516 | |
| 37 | A | A | 0.0000 | |
| 38 | R | A | -2.2189 | |
| 39 | G | A | -2.0304 | |
| 40 | A | A | 0.0000 | |
| 41 | A | A | 0.0000 | |
| 42 | T | A | -2.0095 | |
| 43 | R | A | -3.1206 | |
| 44 | A | A | 0.0000 | |
| 45 | R | A | -3.2139 | |
| 46 | Q | A | -3.4828 | |
| 47 | K | A | -3.1456 | |
| 48 | Q | A | 0.0000 | |
| 49 | R | A | -3.5508 | |
| 50 | A | A | -2.4222 | |
| 51 | S | A | -1.8280 | |
| 52 | L | A | 0.0000 | |
| 53 | E | A | -2.8722 | |
| 54 | T | A | -1.7303 | |
| 55 | M | A | 0.0000 | |
| 56 | D | A | -2.2711 | |
| 57 | K | A | -2.7941 | |
| 58 | A | A | -2.1166 | |
| 59 | V | A | 0.0000 | |
| 60 | Q | A | -2.4538 | |
| 61 | R | A | -2.9147 | |
| 62 | F | A | 0.0000 | |
| 63 | R | A | -2.8324 | |
| 64 | L | A | -1.1287 | |
| 65 | Q | A | -2.1088 | |
| 66 | N | A | -2.3986 | |
| 67 | P | A | -1.9891 | |
| 68 | D | A | -2.6119 | |
| 69 | L | A | -2.3065 | |
| 70 | D | A | -2.7456 | |
| 71 | S | A | -2.2302 | |
| 72 | E | A | -2.3471 | |
| 73 | A | A | -1.2975 | |
| 74 | L | A | 0.0000 | |
| 75 | L | A | -0.7516 | |
| 76 | T | A | -0.5108 | |
| 77 | L | A | -0.3473 | |
| 78 | P | A | 0.0000 | |
| 79 | L | A | 0.0000 | |
| 80 | L | A | -0.3792 | |
| 81 | Q | A | -0.9044 | |
| 82 | L | A | 0.0000 | |
| 83 | V | A | 0.0000 | |
| 84 | Q | A | -1.9345 | |
| 85 | K | A | -1.9539 | |
| 86 | L | A | 0.0000 | |
| 87 | Q | A | -1.9760 | |
| 88 | S | A | -1.6548 | |
| 89 | G | A | -1.8258 | |
| 90 | E | A | -2.4138 | |
| 91 | L | A | -1.4019 | |
| 92 | S | A | -1.0453 | |
| 93 | P | A | -0.9758 | |
| 94 | E | A | -1.1744 | |
| 95 | A | A | 0.0000 | |
| 96 | V | A | 0.0000 | |
| 97 | F | A | 0.0000 | |
| 98 | F | A | -0.9280 | |
| 99 | T | A | 0.0000 | |
| 100 | Y | A | 0.0000 | |
| 101 | L | A | 0.0000 | |
| 102 | G | A | -1.1513 | |
| 103 | K | A | -1.2104 | |
| 104 | A | A | 0.0000 | |
| 105 | W | A | -1.5140 | |
| 106 | E | A | -2.3114 | |
| 107 | V | A | -1.4675 | |
| 108 | N | A | 0.0000 | |
| 109 | K | A | -2.3802 | |
| 110 | G | A | -1.6635 | |
| 111 | T | A | 0.0000 | |
| 112 | N | A | -0.8235 | |
| 113 | C | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | T | A | 0.0000 | |
| 116 | S | A | -0.6799 | |
| 117 | Y | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | T | A | -0.8713 | |
| 120 | D | A | -1.3141 | |
| 121 | C | A | 0.0000 | |
| 122 | E | A | -1.6035 | |
| 123 | T | A | -1.1595 | |
| 124 | Q | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | S | A | -1.2168 | |
| 127 | Q | A | -1.5925 | |
| 128 | A | A | -1.2073 | |
| 129 | P | A | -1.2007 | |
| 130 | R | A | -1.9149 | |
| 131 | Q | A | -1.7140 | |
| 132 | G | A | 0.0000 | |
| 133 | L | A | -0.3511 | |
| 134 | L | A | 0.0000 | |
| 135 | Y | A | 0.0000 | |
| 136 | G | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | P | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | S | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | K | A | 0.0000 | |
| 143 | E | A | 0.0000 | |
| 144 | C | A | 0.0000 | |
| 145 | F | A | 0.0000 | |
| 146 | S | A | -1.0835 | |
| 147 | Y | A | 0.0000 | |
| 148 | K | A | -2.8608 | |
| 149 | G | A | -1.9672 | |
| 150 | H | A | -1.2340 | |
| 151 | D | A | -0.7241 | |
| 152 | S | A | 0.0000 | |
| 153 | T | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | G | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | S | A | 0.0000 | |
| 158 | L | A | 0.3959 | |
| 159 | N | A | 0.4753 | |
| 160 | E | A | 0.0000 | |
| 161 | G | A | -0.2283 | |
| 162 | M | A | 0.4988 | |
| 163 | P | A | -0.9183 | |
| 164 | S | A | -1.7999 | |
| 165 | E | A | -2.6120 | |
| 166 | S | A | -2.0811 | |
| 167 | D | A | -1.5309 | |
| 168 | C | A | 0.0000 | |
| 169 | V | A | 0.0000 | |
| 170 | V | A | 0.0000 | |
| 171 | V | A | 0.0000 | |
| 172 | Q | A | -0.2568 | |
| 173 | V | A | 0.0000 | |
| 174 | L | A | 0.0000 | |
| 175 | K | A | -0.2244 | |
| 176 | L | A | 0.0026 | |
| 177 | Q | A | -0.2550 | |
| 178 | G | A | 0.0000 | |
| 179 | A | A | 0.0000 | |
| 180 | V | A | 0.0000 | |
| 181 | P | A | 0.0000 | |
| 182 | F | A | 0.0000 | |
| 183 | V | A | 0.0000 | |
| 184 | H | A | 0.0000 | |
| 185 | T | A | 0.0000 | |
| 186 | N | A | 0.0000 | |
| 187 | V | A | 0.0000 | |
| 188 | P | A | 0.0000 | |
| 189 | Q | A | 0.0000 | |
| 190 | S | A | 0.0000 | |
| 191 | M | A | 0.3363 | |
| 192 | L | A | 0.5118 | |
| 193 | S | A | 0.1994 | |
| 194 | F | A | 0.0000 | |
| 195 | D | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | S | A | 0.0000 | |
| 198 | N | A | 0.0000 | |
| 199 | P | A | -0.1204 | |
| 200 | L | A | 0.0000 | |
| 201 | F | A | 0.0000 | |
| 202 | G | A | -0.4273 | |
| 203 | Q | A | -0.2890 | |
| 204 | T | A | 0.0000 | |
| 205 | M | A | -0.2055 | |
| 206 | N | A | 0.0000 | |
| 207 | P | A | -0.1168 | |
| 208 | W | A | 0.2245 | |
| 209 | K | A | -0.8602 | |
| 210 | S | A | -0.6043 | |
| 211 | S | A | -0.7218 | |
| 212 | K | A | 0.0000 | |
| 213 | S | A | 0.0000 | |
| 214 | P | A | 0.0000 | |
| 215 | G | A | 0.0000 | |
| 216 | G | A | 0.0000 | |
| 217 | S | A | 0.0000 | |
| 218 | S | A | 0.0000 | |
| 219 | G | A | 0.0000 | |
| 220 | G | A | 0.0000 | |
| 221 | E | A | 0.0000 | |
| 222 | G | A | 0.0000 | |
| 223 | A | A | 0.0000 | |
| 224 | L | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | G | A | -0.1540 | |
| 227 | S | A | -0.3519 | |
| 228 | G | A | -0.2555 | |
| 229 | G | A | 0.0000 | |
| 230 | S | A | 0.0000 | |
| 231 | P | A | 0.0000 | |
| 232 | L | A | 0.0000 | |
| 233 | G | A | 0.0000 | |
| 234 | L | A | 0.0000 | |
| 235 | G | A | 0.0000 | |
| 236 | T | A | 0.0000 | |
| 237 | D | A | 0.0000 | |
| 238 | I | A | 0.5651 | |
| 239 | G | A | 0.3185 | |
| 240 | G | A | 0.0000 | |
| 241 | S | A | 0.0000 | |
| 242 | I | A | 0.0000 | |
| 243 | R | A | 0.0000 | |
| 244 | F | A | 0.0000 | |
| 245 | P | A | 0.0000 | |
| 246 | S | A | 0.0000 | |
| 247 | A | A | 0.0000 | |
| 248 | F | A | 0.0000 | |
| 249 | C | A | 0.0000 | |
| 250 | G | A | -0.1161 | |
| 251 | I | A | 0.0000 | |
| 252 | C | A | 0.0000 | |
| 253 | G | A | 0.0000 | |
| 254 | L | A | 0.0000 | |
| 255 | K | A | 0.0000 | |
| 256 | P | A | 0.0000 | |
| 257 | T | A | 0.0000 | |
| 258 | G | A | 0.0000 | |
| 259 | N | A | -0.4834 | |
| 260 | R | A | 0.0000 | |
| 261 | L | A | 0.0000 | |
| 262 | S | A | 0.0000 | |
| 263 | K | A | -0.7481 | |
| 264 | S | A | -0.5546 | |
| 265 | G | A | -0.9022 | |
| 266 | L | A | -0.4496 | |
| 267 | K | A | -0.2452 | |
| 268 | G | A | 0.3688 | |
| 269 | C | A | 0.5554 | |
| 270 | V | A | 0.9771 | |
| 271 | Y | A | 1.3501 | |
| 272 | G | A | 0.1779 | |
| 273 | Q | A | 0.0074 | |
| 274 | T | A | -0.1930 | |
| 275 | A | A | 0.0000 | |
| 276 | V | A | 0.0000 | |
| 277 | Q | A | -0.1332 | |
| 278 | L | A | 0.2354 | |
| 279 | S | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | G | A | 0.0000 | |
| 282 | P | A | 0.0000 | |
| 283 | M | A | 0.0000 | |
| 284 | A | A | 0.0000 | |
| 285 | R | A | -0.5003 | |
| 286 | D | A | 0.0000 | |
| 287 | V | A | 0.0000 | |
| 288 | E | A | -0.4907 | |
| 289 | S | A | 0.0000 | |
| 290 | L | A | 0.0000 | |
| 291 | A | A | 0.0000 | |
| 292 | L | A | 0.0000 | |
| 293 | C | A | 0.0000 | |
| 294 | L | A | 0.0000 | |
| 295 | K | A | -0.9671 | |
| 296 | A | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | L | A | 0.0000 | |
| 299 | C | A | -1.1183 | |
| 300 | E | A | -1.8837 | |
| 301 | H | A | -1.0154 | |
| 302 | L | A | 0.0000 | |
| 303 | F | A | -0.5505 | |
| 304 | T | A | -0.3975 | |
| 305 | L | A | 0.2556 | |
| 306 | D | A | -0.2621 | |
| 307 | P | A | -0.1664 | |
| 308 | T | A | -0.3058 | |
| 309 | V | A | 0.0000 | |
| 310 | P | A | -0.2136 | |
| 311 | P | A | -0.4696 | |
| 312 | L | A | 0.0007 | |
| 313 | P | A | -0.7571 | |
| 314 | F | A | 0.0000 | |
| 315 | R | A | -1.8470 | |
| 316 | E | A | -2.8213 | |
| 317 | E | A | -2.9924 | |
| 318 | V | A | -1.7771 | |
| 319 | Y | A | 0.0000 | |
| 320 | R | A | -3.0378 | |
| 321 | S | A | -2.1021 | |
| 322 | S | A | -1.7264 | |
| 323 | R | A | -2.1738 | |
| 324 | P | A | -1.4016 | |
| 325 | L | A | 0.0000 | |
| 326 | R | A | -1.2103 | |
| 327 | V | A | 0.0000 | |
| 328 | G | A | 0.0000 | |
| 329 | Y | A | 0.0357 | |
| 330 | Y | A | 0.0000 | |
| 331 | E | A | -1.1823 | |
| 332 | T | A | -0.9061 | |
| 333 | D | A | 0.0000 | |
| 334 | N | A | -1.1234 | |
| 335 | Y | A | 0.0000 | |
| 336 | T | A | 0.0000 | |
| 337 | M | A | -0.4662 | |
| 338 | P | A | 0.0000 | |
| 339 | S | A | 0.0000 | |
| 340 | P | A | -1.0655 | |
| 341 | A | A | 0.0000 | |
| 342 | M | A | 0.0000 | |
| 343 | R | A | -1.2956 | |
| 344 | R | A | -0.9934 | |
| 345 | A | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | I | A | -0.8080 | |
| 348 | E | A | -1.6865 | |
| 349 | T | A | 0.0000 | |
| 350 | K | A | -1.6550 | |
| 351 | Q | A | -2.4226 | |
| 352 | R | A | -2.4098 | |
| 353 | L | A | 0.0000 | |
| 354 | E | A | -2.2185 | |
| 355 | A | A | -1.4103 | |
| 356 | A | A | -1.0528 | |
| 357 | G | A | -1.2776 | |
| 358 | H | A | 0.0000 | |
| 359 | T | A | -0.6604 | |
| 360 | L | A | -0.5364 | |
| 361 | I | A | 0.0119 | |
| 362 | P | A | -0.0007 | |
| 363 | F | A | 0.0000 | |
| 364 | L | A | 0.0222 | |
| 365 | P | A | 0.0000 | |
| 366 | N | A | -0.8733 | |
| 367 | N | A | -1.2931 | |
| 368 | I | A | 0.0000 | |
| 369 | P | A | -0.4627 | |
| 370 | Y | A | 0.1517 | |
| 371 | A | A | 0.0000 | |
| 372 | L | A | 0.0000 | |
| 373 | E | A | 0.1902 | |
| 374 | V | A | 0.6617 | |
| 375 | L | A | 0.0000 | |
| 376 | S | A | 0.0000 | |
| 377 | A | A | 0.0000 | |
| 378 | G | A | 0.0000 | |
| 379 | G | A | 0.0000 | |
| 380 | L | A | 0.3556 | |
| 381 | F | A | 0.0000 | |
| 382 | S | A | -0.8897 | |
| 383 | D | A | -1.3018 | |
| 384 | G | A | 0.0000 | |
| 385 | G | A | 0.0000 | |
| 386 | R | A | -2.5344 | |
| 387 | S | A | -1.0122 | |
| 388 | F | A | 0.0000 | |
| 389 | L | A | 0.0000 | |
| 390 | Q | A | -1.9081 | |
| 391 | N | A | -1.0530 | |
| 392 | F | A | 0.0000 | |
| 393 | K | A | -1.9548 | |
| 394 | G | A | -1.8138 | |
| 395 | D | A | 0.0000 | |
| 396 | F | A | 0.4095 | |
| 397 | V | A | 0.7512 | |
| 398 | D | A | 0.0000 | |
| 399 | P | A | -0.3786 | |
| 400 | C | A | 0.0000 | |
| 401 | L | A | 0.0000 | |
| 402 | G | A | -0.9632 | |
| 403 | D | A | -1.1740 | |
| 404 | L | A | -0.1955 | |
| 405 | I | A | 0.0000 | |
| 406 | L | A | 1.0094 | |
| 407 | I | A | 0.6524 | |
| 408 | L | A | 0.0000 | |
| 409 | R | A | -0.8760 | |
| 410 | L | A | 0.3547 | |
| 411 | P | A | 0.1252 | |
| 412 | S | A | 0.0095 | |
| 413 | W | A | 1.2517 | |
| 414 | F | A | 1.4740 | |
| 415 | K | A | 0.0000 | |
| 416 | R | A | 0.1141 | |
| 417 | L | A | 1.7274 | |
| 418 | L | A | 1.5906 | |
| 419 | S | A | 0.0000 | |
| 420 | L | A | 1.8654 | |
| 421 | L | A | 2.4178 | |
| 422 | L | A | 1.7007 | |
| 423 | K | A | 0.3479 | |
| 424 | P | A | 0.6632 | |
| 425 | L | A | 1.7462 | |
| 426 | F | A | 1.5874 | |
| 427 | P | A | 0.6141 | |
| 428 | R | A | 0.0000 | |
| 429 | L | A | 0.5401 | |
| 430 | A | A | 0.0000 | |
| 431 | A | A | -0.1423 | |
| 432 | F | A | 0.0000 | |
| 433 | L | A | 0.0000 | |
| 434 | N | A | -0.8305 | |
| 435 | S | A | 0.0000 | |
| 436 | M | A | 0.0000 | |
| 437 | R | A | -1.3148 | |
| 438 | P | A | -1.3818 | |
| 439 | R | A | -1.4271 | |
| 440 | S | A | -1.3986 | |
| 441 | A | A | -1.2891 | |
| 442 | E | A | -2.4866 | |
| 443 | K | A | -2.6141 | |
| 444 | L | A | -1.3165 | |
| 445 | W | A | -0.9002 | |
| 446 | K | A | -2.5723 | |
| 447 | L | A | 0.0000 | |
| 448 | Q | A | -1.3359 | |
| 449 | H | A | -1.9690 | |
| 450 | E | A | -1.3802 | |
| 451 | I | A | 0.0000 | |
| 452 | E | A | -2.2344 | |
| 453 | M | A | -0.8366 | |
| 454 | Y | A | 0.0000 | |
| 455 | R | A | -1.2498 | |
| 456 | Q | A | -1.4046 | |
| 457 | S | A | -1.0289 | |
| 458 | V | A | 0.0000 | |
| 459 | I | A | -0.5411 | |
| 460 | A | A | -0.8959 | |
| 461 | Q | A | -0.8405 | |
| 462 | W | A | 0.0000 | |
| 463 | K | A | -1.8425 | |
| 464 | A | A | -0.9137 | |
| 465 | M | A | -0.8832 | |
| 466 | N | A | -1.8861 | |
| 467 | L | A | 0.0000 | |
| 468 | D | A | -0.9686 | |
| 469 | V | A | 0.0000 | |
| 470 | L | A | 0.0000 | |
| 471 | L | A | 0.0000 | |
| 472 | T | A | 0.0000 | |
| 473 | P | A | 0.0000 | |
| 474 | M | A | 0.0000 | |
| 475 | L | A | 0.0000 | |
| 476 | G | A | 0.0000 | |
| 477 | P | A | 0.0000 | |
| 478 | A | A | 0.0000 | |
| 479 | L | A | 0.0000 | |
| 480 | D | A | -1.2614 | |
| 481 | L | A | -0.3299 | |
| 482 | N | A | -0.6748 | |
| 483 | T | A | 0.0000 | |
| 484 | P | A | 0.0000 | |
| 485 | G | A | -0.9496 | |
| 486 | R | A | -0.9619 | |
| 487 | A | A | 0.0000 | |
| 488 | T | A | -0.0050 | |
| 489 | G | A | 0.0000 | |
| 490 | A | A | 0.0000 | |
| 491 | I | A | 0.3068 | |
| 492 | S | A | 0.0000 | |
| 493 | Y | A | 0.0000 | |
| 494 | T | A | 0.0000 | |
| 495 | V | A | 0.0000 | |
| 496 | L | A | 0.0000 | |
| 497 | Y | A | 0.0000 | |
| 498 | N | A | 0.0000 | |
| 499 | C | A | 0.0000 | |
| 500 | L | A | 0.0000 | |
| 501 | D | A | -0.1715 | |
| 502 | F | A | 0.0000 | |
| 503 | P | A | 0.0000 | |
| 504 | A | A | 0.0000 | |
| 505 | G | A | 0.0000 | |
| 506 | V | A | 0.0000 | |
| 507 | V | A | 0.0000 | |
| 508 | P | A | -0.1310 | |
| 509 | V | A | 0.0000 | |
| 510 | T | A | -0.2339 | |
| 511 | T | A | 0.1986 | |
| 512 | V | A | 0.0000 | |
| 513 | T | A | -0.2810 | |
| 514 | A | A | -0.7483 | |
| 515 | E | A | -1.9608 | |
| 516 | D | A | 0.0000 | |
| 517 | D | A | -1.3906 | |
| 518 | A | A | -1.6045 | |
| 519 | Q | A | -1.9355 | |
| 520 | M | A | 0.0000 | |
| 521 | E | A | -2.1644 | |
| 522 | L | A | -0.2038 | |
| 523 | Y | A | 0.0000 | |
| 524 | K | A | -1.2250 | |
| 525 | G | A | 0.0000 | |
| 526 | Y | A | 0.1897 | |
| 527 | F | A | 1.1027 | |
| 528 | G | A | 0.5429 | |
| 529 | D | A | 0.0000 | |
| 530 | I | A | 1.8606 | |
| 531 | W | A | 1.0172 | |
| 532 | D | A | 0.0000 | |
| 533 | I | A | 1.0084 | |
| 534 | I | A | 0.3141 | |
| 535 | L | A | 0.0000 | |
| 536 | K | A | -1.1062 | |
| 537 | K | A | -2.1725 | |
| 538 | A | A | 0.0000 | |
| 539 | M | A | 0.0000 | |
| 540 | K | A | -2.1309 | |
| 541 | N | A | -1.5579 | |
| 542 | S | A | 0.0000 | |
| 543 | V | A | 0.9064 | |
| 544 | G | A | 0.4315 | |
| 545 | L | A | 0.0000 | |
| 546 | P | A | 0.0000 | |
| 547 | V | A | 0.0000 | |
| 548 | A | A | 0.0000 | |
| 549 | V | A | 0.0000 | |
| 550 | Q | A | 0.0000 | |
| 551 | C | A | 0.0000 | |
| 552 | V | A | 0.0000 | |
| 553 | A | A | 0.0000 | |
| 554 | L | A | 0.0401 | |
| 555 | P | A | 0.0621 | |
| 556 | W | A | 0.2662 | |
| 557 | Q | A | -0.0851 | |
| 558 | E | A | 0.0000 | |
| 559 | E | A | 0.0000 | |
| 560 | L | A | -0.4265 | |
| 561 | C | A | 0.0000 | |
| 562 | L | A | 0.0000 | |
| 563 | R | A | 0.0000 | |
| 564 | F | A | 0.0000 | |
| 565 | M | A | 0.0000 | |
| 566 | R | A | -1.1495 | |
| 567 | E | A | -1.0396 | |
| 568 | V | A | 0.0000 | |
| 569 | E | A | -1.1915 | |
| 570 | Q | A | -1.7477 | |
| 571 | L | A | -1.0685 | |
| 572 | M | A | -0.9398 | |
| 573 | T | A | -1.1881 | |
| 574 | P | A | -1.5612 | |
| 575 | Q | A | -2.1237 | |
| 576 | K | A | -2.1863 | |
| 577 | Q | A | -1.9958 | |
| 578 | P | A | -1.4662 | |
| 579 | S | A | -0.7851 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.2003 | 4.5298 | View | CSV | PDB |
| 4.5 | -0.234 | 4.5298 | View | CSV | PDB |
| 5.0 | -0.2755 | 4.5298 | View | CSV | PDB |
| 5.5 | -0.3159 | 4.5298 | View | CSV | PDB |
| 6.0 | -0.3459 | 4.5298 | View | CSV | PDB |
| 6.5 | -0.3588 | 4.5298 | View | CSV | PDB |
| 7.0 | -0.3538 | 4.5298 | View | CSV | PDB |
| 7.5 | -0.3364 | 4.5298 | View | CSV | PDB |
| 8.0 | -0.3126 | 4.5298 | View | CSV | PDB |
| 8.5 | -0.2849 | 4.5298 | View | CSV | PDB |
| 9.0 | -0.2544 | 4.5916 | 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