| Chain sequence(s) | MNAAGCRAPRAAGEGSGLAPGGSLLPRRRGPGQLAASECPAAPVSAPPAAAPGRALGRPSRRRWAAMLLFGLLVAGVADGCDLVPRHLRGRRASGSAGAAASPSAAAAGERQALLTDPCMSLSPPCFTEEDRFSLEALQTIHKQMDDDKDGGIEVDESDEFIREDMKYKDATNKHSHLHREDKHITVEDLWKQWKTSEVHNWTLEDTLQWLIEFVELPQYEKNFRDNNVKGTTLPRIAVHETSFMISQLKISDRSHRQKLQLKALDVVLFGPLTRPPHNWMKDFILTISIVIGVGGCWFAYTQNKTSKEHVAKMMKDLESLQTAEQSLMDLQERLEKAQEENRTVAVEKQNLERKMMDEINYAKEEACRLRELREGAECELSRRQYAEQELEQVRMALKKAEKEFELRSSWSVPDALQKWLQLTHEVEVQYYNIKRQNAEMQLAIAKDEAEKIKKKRSTVFGTLHVAHSSSLDEVDHKILEAKKALSELTTCLRERLFRWQQIEKICGFQIAHNSGLPSLTSSLYSDHSWVVMPRVSIPPYPIAGGVDDLDEDTPPIVSQFPGTVAKPAGSLARSSSLCRSRRSIVPSSPQSQRAQLPAHAPLAAHPRHPHHPQHSLPSPDPDILSVSSCPALYRNEEEEEAIYFTAEKQWEVPDTASECDSLNSSIGRKQSPPSSLEIYQTLSSRKISRDELSLEDSSRGDSPVTADVSRGSPECVGLTETKSMIFSPASRVYNGILEKSCSMHQLSSGIPVPNPRHTSCSLAGSDSKPVQEASSVSRVGSIPHDLCHNGEKSKKPSKIKSLFKKKSK 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] (00:00:00)
[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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:21:20)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/30d1e11c98b305/tmp/folded.pdb (00:21:20)
[INFO] Main: Simulation completed successfully. (00:36:11)
|
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 | 0.4655 | |
| 2 | N | A | -0.7757 | |
| 3 | A | A | -0.5064 | |
| 4 | A | A | -0.4079 | |
| 5 | G | A | -0.6242 | |
| 6 | C | A | -0.5451 | |
| 7 | R | A | -1.5511 | |
| 8 | A | A | -1.2552 | |
| 9 | P | A | -1.4166 | |
| 10 | R | A | -1.9577 | |
| 11 | A | A | -1.1319 | |
| 12 | A | A | -1.0287 | |
| 13 | G | A | -1.5873 | |
| 14 | E | A | -2.3485 | |
| 15 | G | A | -1.4988 | |
| 16 | S | A | -0.7405 | |
| 17 | G | A | -0.0929 | |
| 18 | L | A | 1.1414 | |
| 19 | A | A | 0.3975 | |
| 20 | P | A | -0.2005 | |
| 21 | G | A | -0.7032 | |
| 22 | G | A | -0.4751 | |
| 23 | S | A | 0.5243 | |
| 24 | L | A | 1.8335 | |
| 25 | L | A | 1.4144 | |
| 26 | P | A | -0.7593 | |
| 27 | R | A | -2.7246 | |
| 28 | R | A | -3.7158 | |
| 29 | R | A | -3.6095 | |
| 30 | G | A | -2.0109 | |
| 31 | P | A | -1.4285 | |
| 32 | G | A | -1.1527 | |
| 33 | Q | A | -0.6220 | |
| 34 | L | A | 0.8290 | |
| 35 | A | A | 0.6319 | |
| 36 | A | A | -0.1429 | |
| 37 | S | A | -0.8992 | |
| 38 | E | A | -1.6295 | |
| 39 | C | A | -0.3011 | |
| 40 | P | A | -0.2246 | |
| 41 | A | A | 0.0488 | |
| 42 | A | A | 0.2746 | |
| 43 | P | A | 0.6239 | |
| 44 | V | A | 1.5689 | |
| 45 | S | A | 0.5561 | |
| 46 | A | A | 0.1130 | |
| 47 | P | A | -0.3846 | |
| 48 | P | A | -0.3226 | |
| 49 | A | A | -0.0716 | |
| 50 | A | A | 0.0121 | |
| 51 | A | A | -0.1410 | |
| 52 | P | A | -0.8105 | |
| 53 | G | A | -1.5349 | |
| 54 | R | A | -1.7919 | |
| 55 | A | A | -0.4110 | |
| 56 | L | A | 0.6343 | |
| 57 | G | A | -0.2297 | |
| 58 | R | A | -1.9513 | |
| 59 | P | A | -1.9456 | |
| 60 | S | A | -2.5385 | |
| 61 | R | A | -3.3169 | |
| 62 | R | A | -3.2468 | |
| 63 | R | A | -2.2984 | |
| 64 | W | A | 0.0278 | |
| 65 | A | A | 0.3066 | |
| 66 | A | A | 1.0615 | |
| 67 | M | A | 2.6553 | |
| 68 | L | A | 3.8814 | |
| 69 | L | A | 4.4988 | |
| 70 | F | A | 4.8124 | |
| 71 | G | A | 3.5402 | |
| 72 | L | A | 4.4447 | |
| 73 | L | A | 4.6980 | |
| 74 | V | A | 4.1031 | |
| 75 | A | A | 2.3620 | |
| 76 | G | A | 1.7160 | |
| 77 | V | A | 2.0624 | |
| 78 | A | A | 0.3501 | |
| 79 | D | A | -1.6389 | |
| 80 | G | A | -1.1457 | |
| 81 | C | A | -0.5457 | |
| 82 | D | A | -0.5507 | |
| 83 | L | A | 1.7745 | |
| 84 | V | A | 1.7647 | |
| 85 | P | A | -0.1876 | |
| 86 | R | A | -1.7875 | |
| 87 | H | A | -1.4615 | |
| 88 | L | A | -0.5621 | |
| 89 | R | A | -2.2362 | |
| 90 | G | A | -2.3764 | |
| 91 | R | A | -3.2784 | |
| 92 | R | A | -3.0415 | |
| 93 | A | A | -1.4550 | |
| 94 | S | A | -0.8626 | |
| 95 | G | A | -0.6479 | |
| 96 | S | A | -0.5448 | |
| 97 | A | A | -0.3731 | |
| 98 | G | A | -0.4359 | |
| 99 | A | A | -0.1415 | |
| 100 | A | A | -0.0405 | |
| 101 | A | A | -0.0691 | |
| 102 | S | A | -0.3655 | |
| 103 | P | A | -0.4556 | |
| 104 | S | A | -0.3367 | |
| 105 | A | A | -0.0432 | |
| 106 | A | A | 0.0296 | |
| 107 | A | A | -0.2209 | |
| 108 | A | A | -0.9261 | |
| 109 | G | A | -1.8550 | |
| 110 | E | A | -3.1622 | |
| 111 | R | A | -3.1269 | |
| 112 | Q | A | -1.9159 | |
| 113 | A | A | -0.1543 | |
| 114 | L | A | 1.4606 | |
| 115 | L | A | 1.6276 | |
| 116 | T | A | 0.3703 | |
| 117 | D | A | -1.0064 | |
| 118 | P | A | -0.9422 | |
| 119 | C | A | -0.1639 | |
| 120 | M | A | 0.5206 | |
| 121 | S | A | -0.4988 | |
| 122 | L | A | 0.0000 | |
| 123 | S | A | -0.9039 | |
| 124 | P | A | -0.4381 | |
| 125 | P | A | 0.3234 | |
| 126 | C | A | 0.0000 | |
| 127 | F | A | 1.2730 | |
| 128 | T | A | -0.6488 | |
| 129 | E | A | -2.3586 | |
| 130 | E | A | -2.0380 | |
| 131 | D | A | 0.0000 | |
| 132 | R | A | -2.3232 | |
| 133 | F | A | -1.6203 | |
| 134 | S | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | E | A | -2.1496 | |
| 137 | A | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | Q | A | -1.7813 | |
| 140 | T | A | -1.5350 | |
| 141 | I | A | 0.0000 | |
| 142 | H | A | 0.0000 | |
| 143 | K | A | -3.4622 | |
| 144 | Q | A | -2.7135 | |
| 145 | M | A | 0.0000 | |
| 146 | D | A | 0.0000 | |
| 147 | D | A | -4.1510 | |
| 148 | D | A | -4.2809 | |
| 149 | K | A | -4.5097 | |
| 150 | D | A | -3.8047 | |
| 151 | G | A | -2.5446 | |
| 152 | G | A | -2.4565 | |
| 153 | I | A | 0.0000 | |
| 154 | E | A | -2.7260 | |
| 155 | V | A | -1.9367 | |
| 156 | D | A | -2.5840 | |
| 157 | E | A | -2.6286 | |
| 158 | S | A | 0.0000 | |
| 159 | D | A | -2.4605 | |
| 160 | E | A | -3.2736 | |
| 161 | F | A | -2.8745 | |
| 162 | I | A | 0.0000 | |
| 163 | R | A | -4.0832 | |
| 164 | E | A | -4.0325 | |
| 165 | D | A | -3.2267 | |
| 166 | M | A | 0.0000 | |
| 167 | K | A | -3.7042 | |
| 168 | Y | A | -2.9341 | |
| 169 | K | A | -3.4723 | |
| 170 | D | A | -3.3445 | |
| 171 | A | A | 0.0000 | |
| 172 | T | A | -1.9124 | |
| 173 | N | A | -2.2958 | |
| 174 | K | A | -1.7146 | |
| 175 | H | A | -1.8207 | |
| 176 | S | A | -2.1470 | |
| 177 | H | A | -2.0912 | |
| 178 | L | A | -1.9458 | |
| 179 | H | A | 0.0000 | |
| 180 | R | A | -3.8231 | |
| 181 | E | A | -4.1494 | |
| 182 | D | A | -4.2584 | |
| 183 | K | A | -3.8735 | |
| 184 | H | A | -3.0499 | |
| 185 | I | A | 0.0000 | |
| 186 | T | A | -1.4269 | |
| 187 | V | A | -1.4302 | |
| 188 | E | A | -2.5795 | |
| 189 | D | A | -2.1864 | |
| 190 | L | A | 0.0000 | |
| 191 | W | A | 0.0000 | |
| 192 | K | A | -2.3977 | |
| 193 | Q | A | -1.8856 | |
| 194 | W | A | 0.0000 | |
| 195 | K | A | -1.5687 | |
| 196 | T | A | -1.3916 | |
| 197 | S | A | -1.6584 | |
| 198 | E | A | -2.4458 | |
| 199 | V | A | 0.0000 | |
| 200 | H | A | -1.5743 | |
| 201 | N | A | -2.1551 | |
| 202 | W | A | 0.0000 | |
| 203 | T | A | -1.5362 | |
| 204 | L | A | -1.8726 | |
| 205 | E | A | -2.6551 | |
| 206 | D | A | -1.9707 | |
| 207 | T | A | 0.0000 | |
| 208 | L | A | 0.0000 | |
| 209 | Q | A | -1.9184 | |
| 210 | W | A | 0.0000 | |
| 211 | L | A | 0.0000 | |
| 212 | I | A | -1.3085 | |
| 213 | E | A | -1.8672 | |
| 214 | F | A | -1.1434 | |
| 215 | V | A | 0.0000 | |
| 216 | E | A | -2.3271 | |
| 217 | L | A | 0.0000 | |
| 218 | P | A | -1.7903 | |
| 219 | Q | A | -1.9528 | |
| 220 | Y | A | -2.1378 | |
| 221 | E | A | -2.5613 | |
| 222 | K | A | -3.3439 | |
| 223 | N | A | -3.1012 | |
| 224 | F | A | 0.0000 | |
| 225 | R | A | -3.3272 | |
| 226 | D | A | -3.4839 | |
| 227 | N | A | -2.6355 | |
| 228 | N | A | -2.7419 | |
| 229 | V | A | 0.0000 | |
| 230 | K | A | -1.5091 | |
| 231 | G | A | 0.0000 | |
| 232 | T | A | -0.7214 | |
| 233 | T | A | -0.5294 | |
| 234 | L | A | 0.0000 | |
| 235 | P | A | 0.0000 | |
| 236 | R | A | -0.6516 | |
| 237 | I | A | 0.0000 | |
| 238 | A | A | 0.0000 | |
| 239 | V | A | -0.4472 | |
| 240 | H | A | -0.5097 | |
| 241 | E | A | -0.4949 | |
| 242 | T | A | -0.2563 | |
| 243 | S | A | -0.4282 | |
| 244 | F | A | 0.0000 | |
| 245 | M | A | 0.0000 | |
| 246 | I | A | -0.0651 | |
| 247 | S | A | -0.6696 | |
| 248 | Q | A | -1.5853 | |
| 249 | L | A | 0.0000 | |
| 250 | K | A | -1.7607 | |
| 251 | I | A | 0.0000 | |
| 252 | S | A | -1.1466 | |
| 253 | D | A | -1.8036 | |
| 254 | R | A | -2.7262 | |
| 255 | S | A | -2.0055 | |
| 256 | H | A | -1.9786 | |
| 257 | R | A | -2.0240 | |
| 258 | Q | A | -2.1886 | |
| 259 | K | A | -1.9672 | |
| 260 | L | A | 0.0000 | |
| 261 | Q | A | -0.9221 | |
| 262 | L | A | -0.9644 | |
| 263 | K | A | -0.4804 | |
| 264 | A | A | 0.0000 | |
| 265 | L | A | 0.0000 | |
| 266 | D | A | 0.0000 | |
| 267 | V | A | 0.0000 | |
| 268 | V | A | 0.0000 | |
| 269 | L | A | 0.0000 | |
| 270 | F | A | -0.0847 | |
| 271 | G | A | -0.5124 | |
| 272 | P | A | -0.5148 | |
| 273 | L | A | -0.2836 | |
| 274 | T | A | -0.8052 | |
| 275 | R | A | -2.0276 | |
| 276 | P | A | -1.6005 | |
| 277 | P | A | -1.7432 | |
| 278 | H | A | -2.2030 | |
| 279 | N | A | -1.6689 | |
| 280 | W | A | 0.1957 | |
| 281 | M | A | 0.5793 | |
| 282 | K | A | -1.1370 | |
| 283 | D | A | -1.0393 | |
| 284 | F | A | 1.5483 | |
| 285 | I | A | 2.3485 | |
| 286 | L | A | 2.1427 | |
| 287 | T | A | 2.3968 | |
| 288 | I | A | 3.0816 | |
| 289 | S | A | 3.0312 | |
| 290 | I | A | 4.2314 | |
| 291 | V | A | 4.3455 | |
| 292 | I | A | 3.9848 | |
| 293 | G | A | 2.7631 | |
| 294 | V | A | 3.1708 | |
| 295 | G | A | 2.8134 | |
| 296 | G | A | 2.2745 | |
| 297 | C | A | 2.3070 | |
| 298 | W | A | 2.8832 | |
| 299 | F | A | 2.5238 | |
| 300 | A | A | 1.0549 | |
| 301 | Y | A | 1.0574 | |
| 302 | T | A | -0.0181 | |
| 303 | Q | A | -1.4121 | |
| 304 | N | A | -2.2187 | |
| 305 | K | A | -3.0860 | |
| 306 | T | A | -2.7895 | |
| 307 | S | A | -2.8746 | |
| 308 | K | A | -3.5598 | |
| 309 | E | A | -3.7315 | |
| 310 | H | A | -3.1009 | |
| 311 | V | A | -1.6023 | |
| 312 | A | A | -2.3625 | |
| 313 | K | A | -3.2259 | |
| 314 | M | A | -1.4585 | |
| 315 | M | A | -1.6139 | |
| 316 | K | A | -3.2934 | |
| 317 | D | A | -2.7805 | |
| 318 | L | A | -1.5876 | |
| 319 | E | A | -3.1430 | |
| 320 | S | A | -2.2106 | |
| 321 | L | A | -0.7293 | |
| 322 | Q | A | -2.2589 | |
| 323 | T | A | -1.8787 | |
| 324 | A | A | -0.9130 | |
| 325 | E | A | -1.7486 | |
| 326 | Q | A | -2.1227 | |
| 327 | S | A | -1.2080 | |
| 328 | L | A | -0.2618 | |
| 329 | M | A | -1.1694 | |
| 330 | D | A | -2.0424 | |
| 331 | L | A | -1.1352 | |
| 332 | Q | A | -2.2896 | |
| 333 | E | A | -3.4600 | |
| 334 | R | A | -3.4114 | |
| 335 | L | A | -1.9794 | |
| 336 | E | A | -3.8989 | |
| 337 | K | A | -4.7889 | |
| 338 | A | A | -3.4948 | |
| 339 | Q | A | -3.9138 | |
| 340 | E | A | -4.4260 | |
| 341 | E | A | -4.2449 | |
| 342 | N | A | -3.5903 | |
| 343 | R | A | -3.3187 | |
| 344 | T | A | -2.4131 | |
| 345 | V | A | -1.9933 | |
| 346 | A | A | -2.1226 | |
| 347 | V | A | -1.1212 | |
| 348 | E | A | -2.8127 | |
| 349 | K | A | -3.3073 | |
| 350 | Q | A | -3.0683 | |
| 351 | N | A | -2.9814 | |
| 352 | L | A | -2.5806 | |
| 353 | E | A | -3.7815 | |
| 354 | R | A | -4.1286 | |
| 355 | K | A | -3.8549 | |
| 356 | M | A | -2.1023 | |
| 357 | M | A | -1.9515 | |
| 358 | D | A | -3.3297 | |
| 359 | E | A | -2.6481 | |
| 360 | I | A | -1.1330 | |
| 361 | N | A | -2.0178 | |
| 362 | Y | A | -1.2783 | |
| 363 | A | A | -1.5318 | |
| 364 | K | A | -2.9663 | |
| 365 | E | A | -3.3804 | |
| 366 | E | A | -2.7457 | |
| 367 | A | A | -2.3350 | |
| 368 | C | A | -2.9666 | |
| 369 | R | A | -3.3966 | |
| 370 | L | A | -2.1974 | |
| 371 | R | A | -4.2120 | |
| 372 | E | A | -3.7465 | |
| 373 | L | A | -1.7894 | |
| 374 | R | A | -3.7837 | |
| 375 | E | A | -4.2519 | |
| 376 | G | A | -2.6476 | |
| 377 | A | A | -2.8157 | |
| 378 | E | A | -3.9011 | |
| 379 | C | A | -2.7637 | |
| 380 | E | A | -3.4369 | |
| 381 | L | A | -2.1482 | |
| 382 | S | A | -2.3151 | |
| 383 | R | A | -3.3064 | |
| 384 | R | A | -3.3999 | |
| 385 | Q | A | -2.7262 | |
| 386 | Y | A | -1.3611 | |
| 387 | A | A | -1.7120 | |
| 388 | E | A | -2.1628 | |
| 389 | Q | A | -2.5890 | |
| 390 | E | A | -1.8469 | |
| 391 | L | A | -0.4590 | |
| 392 | E | A | -1.5583 | |
| 393 | Q | A | -1.6018 | |
| 394 | V | A | -0.2536 | |
| 395 | R | A | -1.5146 | |
| 396 | M | A | -0.7939 | |
| 397 | A | A | -0.7521 | |
| 398 | L | A | -0.4881 | |
| 399 | K | A | -2.7920 | |
| 400 | K | A | -3.1063 | |
| 401 | A | A | -1.9809 | |
| 402 | E | A | -3.4119 | |
| 403 | K | A | -3.6424 | |
| 404 | E | A | -2.2797 | |
| 405 | F | A | -0.9658 | |
| 406 | E | A | -2.2196 | |
| 407 | L | A | -0.5416 | |
| 408 | R | A | -1.5838 | |
| 409 | S | A | -0.8751 | |
| 410 | S | A | -0.0609 | |
| 411 | W | A | 0.7988 | |
| 412 | S | A | 0.1011 | |
| 413 | V | A | 0.3325 | |
| 414 | P | A | -0.6617 | |
| 415 | D | A | -1.7734 | |
| 416 | A | A | -0.9175 | |
| 417 | L | A | -0.0793 | |
| 418 | Q | A | -1.0296 | |
| 419 | K | A | -0.9038 | |
| 420 | W | A | 0.1168 | |
| 421 | L | A | -0.0256 | |
| 422 | Q | A | -0.4903 | |
| 423 | L | A | 0.0000 | |
| 424 | T | A | 0.1841 | |
| 425 | H | A | 0.0000 | |
| 426 | E | A | 0.0734 | |
| 427 | V | A | 0.5766 | |
| 428 | E | A | 0.3790 | |
| 429 | V | A | 0.5135 | |
| 430 | Q | A | 0.0121 | |
| 431 | Y | A | 0.8048 | |
| 432 | Y | A | -0.0949 | |
| 433 | N | A | -0.9482 | |
| 434 | I | A | -0.4071 | |
| 435 | K | A | -1.8287 | |
| 436 | R | A | -2.5311 | |
| 437 | Q | A | -2.2757 | |
| 438 | N | A | -2.1034 | |
| 439 | A | A | 0.0000 | |
| 440 | E | A | -1.1659 | |
| 441 | M | A | -0.4291 | |
| 442 | Q | A | -0.9477 | |
| 443 | L | A | -0.6938 | |
| 444 | A | A | -0.4913 | |
| 445 | I | A | -0.3598 | |
| 446 | A | A | 0.0000 | |
| 447 | K | A | -2.8436 | |
| 448 | D | A | -3.6509 | |
| 449 | E | A | -3.4915 | |
| 450 | A | A | -3.6060 | |
| 451 | E | A | -4.8943 | |
| 452 | K | A | -4.9115 | |
| 453 | I | A | 0.0000 | |
| 454 | K | A | -4.8321 | |
| 455 | K | A | -4.6058 | |
| 456 | K | A | -3.4059 | |
| 457 | R | A | -3.2726 | |
| 458 | S | A | -1.8473 | |
| 459 | T | A | -0.2334 | |
| 460 | V | A | 2.3962 | |
| 461 | F | A | 2.5276 | |
| 462 | G | A | 0.0000 | |
| 463 | T | A | 0.5060 | |
| 464 | L | A | 1.3272 | |
| 465 | H | A | -0.5344 | |
| 466 | V | A | 0.0000 | |
| 467 | A | A | -0.4361 | |
| 468 | H | A | -0.9559 | |
| 469 | S | A | -1.0134 | |
| 470 | S | A | -1.2648 | |
| 471 | S | A | -1.8311 | |
| 472 | L | A | -1.7587 | |
| 473 | D | A | -3.3525 | |
| 474 | E | A | -3.4119 | |
| 475 | V | A | 0.0000 | |
| 476 | D | A | -3.1640 | |
| 477 | H | A | -3.0462 | |
| 478 | K | A | -2.5140 | |
| 479 | I | A | -1.8548 | |
| 480 | L | A | -1.4639 | |
| 481 | E | A | -2.4921 | |
| 482 | A | A | 0.0000 | |
| 483 | K | A | -2.6442 | |
| 484 | K | A | -3.0240 | |
| 485 | A | A | -2.4625 | |
| 486 | L | A | -1.8001 | |
| 487 | S | A | -1.8069 | |
| 488 | E | A | -2.4915 | |
| 489 | L | A | 0.0000 | |
| 490 | T | A | -1.2104 | |
| 491 | T | A | -1.2599 | |
| 492 | C | A | -0.6808 | |
| 493 | L | A | -0.5503 | |
| 494 | R | A | -1.5571 | |
| 495 | E | A | -1.1977 | |
| 496 | R | A | 0.0000 | |
| 497 | L | A | 0.5010 | |
| 498 | F | A | 0.7918 | |
| 499 | R | A | -0.5870 | |
| 500 | W | A | 0.0000 | |
| 501 | Q | A | -1.0596 | |
| 502 | Q | A | -0.7784 | |
| 503 | I | A | -0.2387 | |
| 504 | E | A | -1.0950 | |
| 505 | K | A | -1.5597 | |
| 506 | I | A | 0.9136 | |
| 507 | C | A | 0.2406 | |
| 508 | G | A | -0.5966 | |
| 509 | F | A | -0.9257 | |
| 510 | Q | A | -1.9353 | |
| 511 | I | A | 0.0000 | |
| 512 | A | A | -0.9572 | |
| 513 | H | A | -1.5585 | |
| 514 | N | A | -1.2739 | |
| 515 | S | A | -0.6906 | |
| 516 | G | A | -0.2264 | |
| 517 | L | A | 0.2317 | |
| 518 | P | A | -0.1875 | |
| 519 | S | A | -0.3506 | |
| 520 | L | A | 0.0000 | |
| 521 | T | A | 0.1489 | |
| 522 | S | A | -0.1681 | |
| 523 | S | A | -0.4422 | |
| 524 | L | A | 0.0000 | |
| 525 | Y | A | 0.5886 | |
| 526 | S | A | -0.7161 | |
| 527 | D | A | -1.6741 | |
| 528 | H | A | -0.1935 | |
| 529 | S | A | 0.6349 | |
| 530 | W | A | 2.1605 | |
| 531 | V | A | 3.4281 | |
| 532 | V | A | 3.0899 | |
| 533 | M | A | 2.1469 | |
| 534 | P | A | 0.4162 | |
| 535 | R | A | -0.4305 | |
| 536 | V | A | 1.2834 | |
| 537 | S | A | 1.1172 | |
| 538 | I | A | 2.0313 | |
| 539 | P | A | 0.8232 | |
| 540 | P | A | 0.6179 | |
| 541 | Y | A | 1.7382 | |
| 542 | P | A | 1.2596 | |
| 543 | I | A | 2.0952 | |
| 544 | A | A | 1.1232 | |
| 545 | G | A | -0.0362 | |
| 546 | G | A | -0.1130 | |
| 547 | V | A | 0.1898 | |
| 548 | D | A | -1.6970 | |
| 549 | D | A | -1.9457 | |
| 550 | L | A | -1.0428 | |
| 551 | D | A | -2.8697 | |
| 552 | E | A | -3.3669 | |
| 553 | D | A | -3.1460 | |
| 554 | T | A | -1.5210 | |
| 555 | P | A | -0.4345 | |
| 556 | P | A | 0.9088 | |
| 557 | I | A | 2.7663 | |
| 558 | V | A | 2.4584 | |
| 559 | S | A | 0.8763 | |
| 560 | Q | A | -0.0465 | |
| 561 | F | A | 1.0860 | |
| 562 | P | A | 0.2184 | |
| 563 | G | A | 0.1729 | |
| 564 | T | A | 0.5076 | |
| 565 | V | A | 1.3008 | |
| 566 | A | A | 0.1796 | |
| 567 | K | A | -1.3850 | |
| 568 | P | A | -1.1328 | |
| 569 | A | A | -0.6726 | |
| 570 | G | A | -0.2749 | |
| 571 | S | A | 0.2836 | |
| 572 | L | A | 0.9713 | |
| 573 | A | A | -0.2922 | |
| 574 | R | A | -1.6169 | |
| 575 | S | A | -1.2407 | |
| 576 | S | A | -0.4400 | |
| 577 | S | A | 0.5200 | |
| 578 | L | A | 1.3283 | |
| 579 | C | A | 0.4872 | |
| 580 | R | A | -1.6572 | |
| 581 | S | A | -2.1983 | |
| 582 | R | A | -3.3937 | |
| 583 | R | A | -2.3251 | |
| 584 | S | A | -0.3306 | |
| 585 | I | A | 2.4164 | |
| 586 | V | A | 2.4120 | |
| 587 | P | A | 1.1177 | |
| 588 | S | A | 0.0607 | |
| 589 | S | A | -0.8166 | |
| 590 | P | A | -1.0601 | |
| 591 | Q | A | -1.9647 | |
| 592 | S | A | -1.8423 | |
| 593 | Q | A | -2.6850 | |
| 594 | R | A | -2.7470 | |
| 595 | A | A | -1.6545 | |
| 596 | Q | A | -1.0729 | |
| 597 | L | A | 0.5537 | |
| 598 | P | A | 0.1875 | |
| 599 | A | A | -0.2187 | |
| 600 | H | A | -0.8882 | |
| 601 | A | A | -0.1691 | |
| 602 | P | A | 0.3150 | |
| 603 | L | A | 1.4868 | |
| 604 | A | A | 0.6839 | |
| 605 | A | A | -0.0546 | |
| 606 | H | A | -1.4934 | |
| 607 | P | A | -1.8925 | |
| 608 | R | A | -2.7223 | |
| 609 | H | A | -2.4378 | |
| 610 | P | A | -1.9270 | |
| 611 | H | A | -2.0783 | |
| 612 | H | A | -2.2486 | |
| 613 | P | A | -1.9498 | |
| 614 | Q | A | -2.2657 | |
| 615 | H | A | -1.5771 | |
| 616 | S | A | -0.3932 | |
| 617 | L | A | 1.0102 | |
| 618 | P | A | 0.2398 | |
| 619 | S | A | -0.6534 | |
| 620 | P | A | -1.3032 | |
| 621 | D | A | -2.2812 | |
| 622 | P | A | -1.5946 | |
| 623 | D | A | -0.9795 | |
| 624 | I | A | 1.5962 | |
| 625 | L | A | 2.3955 | |
| 626 | S | A | 1.8680 | |
| 627 | V | A | 1.8360 | |
| 628 | S | A | 0.9172 | |
| 629 | S | A | 0.3911 | |
| 630 | C | A | 0.4520 | |
| 631 | P | A | 0.4529 | |
| 632 | A | A | 0.9301 | |
| 633 | L | A | 1.5796 | |
| 634 | Y | A | 0.9949 | |
| 635 | R | A | -2.0390 | |
| 636 | N | A | -3.4507 | |
| 637 | E | A | -4.6827 | |
| 638 | E | A | -4.7833 | |
| 639 | E | A | -4.6598 | |
| 640 | E | A | -4.1461 | |
| 641 | E | A | -2.3820 | |
| 642 | A | A | -0.1098 | |
| 643 | I | A | 2.6774 | |
| 644 | Y | A | 3.0461 | |
| 645 | F | A | 3.0008 | |
| 646 | T | A | 0.8071 | |
| 647 | A | A | -0.8382 | |
| 648 | E | A | -2.9613 | |
| 649 | K | A | -2.9840 | |
| 650 | Q | A | -2.1411 | |
| 651 | W | A | -0.2862 | |
| 652 | E | A | -0.5762 | |
| 653 | V | A | 0.5124 | |
| 654 | P | A | -0.5654 | |
| 655 | D | A | -1.5516 | |
| 656 | T | A | -1.0405 | |
| 657 | A | A | -0.9274 | |
| 658 | S | A | -0.9228 | |
| 659 | E | A | -1.9835 | |
| 660 | C | A | -1.1023 | |
| 661 | D | A | -1.6938 | |
| 662 | S | A | -0.4063 | |
| 663 | L | A | 0.2936 | |
| 664 | N | A | -0.7475 | |
| 665 | S | A | -0.1611 | |
| 666 | S | A | 0.4234 | |
| 667 | I | A | 1.1764 | |
| 668 | G | A | -0.5877 | |
| 669 | R | A | -2.6639 | |
| 670 | K | A | -3.3070 | |
| 671 | Q | A | -2.5228 | |
| 672 | S | A | -1.3905 | |
| 673 | P | A | -0.8175 | |
| 674 | P | A | -0.5675 | |
| 675 | S | A | -0.1947 | |
| 676 | S | A | -0.0076 | |
| 677 | L | A | 0.9015 | |
| 678 | E | A | 0.1853 | |
| 679 | I | A | 1.8626 | |
| 680 | Y | A | 1.2494 | |
| 681 | Q | A | 0.2089 | |
| 682 | T | A | 0.3190 | |
| 683 | L | A | 1.1108 | |
| 684 | S | A | 0.1545 | |
| 685 | S | A | -1.3716 | |
| 686 | R | A | -2.3993 | |
| 687 | K | A | -1.5552 | |
| 688 | I | A | 0.2090 | |
| 689 | S | A | -1.0327 | |
| 690 | R | A | -2.7569 | |
| 691 | D | A | -3.3984 | |
| 692 | E | A | -2.5060 | |
| 693 | L | A | 0.5645 | |
| 694 | S | A | 0.6988 | |
| 695 | L | A | 0.5770 | |
| 696 | E | A | -2.1668 | |
| 697 | D | A | -2.6203 | |
| 698 | S | A | -1.9289 | |
| 699 | S | A | -1.6628 | |
| 700 | R | A | -2.5790 | |
| 701 | G | A | -2.2836 | |
| 702 | D | A | -2.5481 | |
| 703 | S | A | -1.0035 | |
| 704 | P | A | 0.0378 | |
| 705 | V | A | 1.5849 | |
| 706 | T | A | 0.4677 | |
| 707 | A | A | -0.2555 | |
| 708 | D | A | -0.9673 | |
| 709 | V | A | 0.4320 | |
| 710 | S | A | -0.6524 | |
| 711 | R | A | -1.8379 | |
| 712 | G | A | -1.5435 | |
| 713 | S | A | -1.3748 | |
| 714 | P | A | -1.2008 | |
| 715 | E | A | -1.2151 | |
| 716 | C | A | 0.4248 | |
| 717 | V | A | 1.8396 | |
| 718 | G | A | 1.2501 | |
| 719 | L | A | 1.2557 | |
| 720 | T | A | -0.4631 | |
| 721 | E | A | -1.8865 | |
| 722 | T | A | -1.8658 | |
| 723 | K | A | -1.9939 | |
| 724 | S | A | -0.1396 | |
| 725 | M | A | 2.1502 | |
| 726 | I | A | 3.4419 | |
| 727 | F | A | 2.9620 | |
| 728 | S | A | 0.9653 | |
| 729 | P | A | 0.0385 | |
| 730 | A | A | -0.5725 | |
| 731 | S | A | -0.7827 | |
| 732 | R | A | -0.6816 | |
| 733 | V | A | 1.1003 | |
| 734 | Y | A | 0.9618 | |
| 735 | N | A | -0.0608 | |
| 736 | G | A | 0.3808 | |
| 737 | I | A | 1.8595 | |
| 738 | L | A | 1.2087 | |
| 739 | E | A | -1.5183 | |
| 740 | K | A | -2.2438 | |
| 741 | S | A | -1.2301 | |
| 742 | C | A | 0.4086 | |
| 743 | S | A | 0.3751 | |
| 744 | M | A | 0.4011 | |
| 745 | H | A | -0.8219 | |
| 746 | Q | A | -0.7601 | |
| 747 | L | A | 0.5040 | |
| 748 | S | A | 0.0573 | |
| 749 | S | A | 0.0393 | |
| 750 | G | A | 0.2619 | |
| 751 | I | A | 1.9861 | |
| 752 | P | A | 1.5317 | |
| 753 | V | A | 1.6799 | |
| 754 | P | A | -0.1070 | |
| 755 | N | A | -1.4994 | |
| 756 | P | A | -2.0110 | |
| 757 | R | A | -2.7113 | |
| 758 | H | A | -2.0176 | |
| 759 | T | A | -0.8651 | |
| 760 | S | A | -0.1778 | |
| 761 | C | A | 0.8719 | |
| 762 | S | A | 1.0280 | |
| 763 | L | A | 1.5306 | |
| 764 | A | A | 0.4280 | |
| 765 | G | A | -0.5759 | |
| 766 | S | A | -1.4697 | |
| 767 | D | A | -2.4407 | |
| 768 | S | A | -1.9872 | |
| 769 | K | A | -1.9423 | |
| 770 | P | A | -0.5011 | |
| 771 | V | A | 0.3779 | |
| 772 | Q | A | -1.4121 | |
| 773 | E | A | -2.1332 | |
| 774 | A | A | -1.2237 | |
| 775 | S | A | -0.2028 | |
| 776 | S | A | 0.6361 | |
| 777 | V | A | 1.1213 | |
| 778 | S | A | 0.1271 | |
| 779 | R | A | -0.8596 | |
| 780 | V | A | 0.5594 | |
| 781 | G | A | 0.4114 | |
| 782 | S | A | 0.9546 | |
| 783 | I | A | 1.5012 | |
| 784 | P | A | -0.1795 | |
| 785 | H | A | -1.3024 | |
| 786 | D | A | -1.4109 | |
| 787 | L | A | 0.6567 | |
| 788 | C | A | 0.3919 | |
| 789 | H | A | -1.0602 | |
| 790 | N | A | -2.2624 | |
| 791 | G | A | -2.6935 | |
| 792 | E | A | -3.2196 | |
| 793 | K | A | -3.3178 | |
| 794 | S | A | -2.7535 | |
| 795 | K | A | -3.1442 | |
| 796 | K | A | -3.0247 | |
| 797 | P | A | -1.8431 | |
| 798 | S | A | -1.0739 | |
| 799 | K | A | -1.2999 | |
| 800 | I | A | 0.1954 | |
| 801 | K | A | -0.8500 | |
| 802 | S | A | 0.3704 | |
| 803 | L | A | 1.6139 | |
| 804 | F | A | 1.6169 | |
| 805 | K | A | -1.5801 | |
| 806 | K | A | -3.0798 | |
| 807 | K | A | -3.3933 | |
| 808 | S | A | -2.6499 | |
| 809 | K | A | -2.4054 |
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 | -0.6939 | 8.1532 | View | CSV | PDB |
| 4.5 | -0.7934 | 8.1532 | View | CSV | PDB |
| 5.0 | -0.9198 | 8.1532 | View | CSV | PDB |
| 5.5 | -1.0469 | 8.1532 | View | CSV | PDB |
| 6.0 | -1.1463 | 8.1532 | View | CSV | PDB |
| 6.5 | -1.2003 | 8.1532 | View | CSV | PDB |
| 7.0 | -1.2098 | 8.1532 | View | CSV | PDB |
| 7.5 | -1.1886 | 8.1532 | View | CSV | PDB |
| 8.0 | -1.1505 | 8.1532 | View | CSV | PDB |
| 8.5 | -1.1009 | 8.1532 | View | CSV | PDB |
| 9.0 | -1.039 | 8.1532 | 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