| Chain sequence(s) | MAPIGLKAVVGEKIMHDVIKKVKKKGEWKVLVVDQLSMRMLSSCCKMTDIMTEGITIVEDINKRREPLPSLEAVYLITPSEKSVHSLISDFKDPPTAKYRAAHVFFTDSCPDALFNELVKSRAAKVIKTLTEINIAFLPYESQVYSLDSADSFQSFYSPHKAQMKNPILERLAEQIATLCATLKEYPAVRYRGEYKDNALLAQLIQDKLDAYKADDPTMGEGPDKARSQLLILDRGFDPSSPVLHELTFQAMSYDLLPIENDVYKYETSGIGEARVKEVLLDEDDDLWIALRHKHIAEVSQEVTRSLKDFSSSKRMNTGEKTTMRDLSQMLKKMPQYQKELSKYSTHLHLAEDCMKHYQGTVDKLCRVEQDLAMGTDAEGEKIKDPMRAIVPILLDANVSTYDKIRIILLYIFLKNGITEENLNKLIQHAQIPPEDSEIITNMAHLGVPIVTDSTLRRRSKPERKERISEQTYQLSRWTPIIKDIMEDTIEDKLDTKHYPYISTRSSASFSTTAVSARYGHWHKNKAPGEYRSGPRLIIFILGGVSLNEMRCAYEVTQANGKWEVLIGSTHILTPQKLLDTLKKLNKTDEEISS 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:08)
[INFO] FoldX: Starting FoldX energy minimization (00:00:09)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:26:30)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d07080294b43f3/tmp/folded.pdb (00:26:30)
[INFO] Main: Simulation completed successfully. (00:32:56)
|
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 | -0.2180 | |
| 2 | A | A | -0.0275 | |
| 3 | P | A | -0.4366 | |
| 4 | I | A | -0.1307 | |
| 5 | G | A | -0.1327 | |
| 6 | L | A | 0.0000 | |
| 7 | K | A | 0.0000 | |
| 8 | A | A | 0.0000 | |
| 9 | V | A | -0.1886 | |
| 10 | V | A | 0.0000 | |
| 11 | G | A | 0.0000 | |
| 12 | E | A | -2.1790 | |
| 13 | K | A | -1.6854 | |
| 14 | I | A | 0.0000 | |
| 15 | M | A | -2.0019 | |
| 16 | H | A | -2.6642 | |
| 17 | D | A | -2.1705 | |
| 18 | V | A | 0.0000 | |
| 19 | I | A | 0.0000 | |
| 20 | K | A | -2.8959 | |
| 21 | K | A | -2.9377 | |
| 22 | V | A | 0.0000 | |
| 23 | K | A | -3.2365 | |
| 24 | K | A | -3.7406 | |
| 25 | K | A | -3.2717 | |
| 26 | G | A | -2.3136 | |
| 27 | E | A | -2.4012 | |
| 28 | W | A | -0.2918 | |
| 29 | K | A | 0.0000 | |
| 30 | V | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | V | A | 0.0000 | |
| 33 | V | A | 0.0000 | |
| 34 | D | A | 0.0000 | |
| 35 | Q | A | -1.3713 | |
| 36 | L | A | -0.9507 | |
| 37 | S | A | 0.0000 | |
| 38 | M | A | -0.6427 | |
| 39 | R | A | -1.1577 | |
| 40 | M | A | 0.0000 | |
| 41 | L | A | 0.0000 | |
| 42 | S | A | -0.6456 | |
| 43 | S | A | -0.8139 | |
| 44 | C | A | 0.0000 | |
| 45 | C | A | -1.1326 | |
| 46 | K | A | -1.2980 | |
| 47 | M | A | -0.3137 | |
| 48 | T | A | -0.8313 | |
| 49 | D | A | -1.6927 | |
| 50 | I | A | 0.0000 | |
| 51 | M | A | 0.1089 | |
| 52 | T | A | -0.4577 | |
| 53 | E | A | -1.3807 | |
| 54 | G | A | -1.1141 | |
| 55 | I | A | 0.0000 | |
| 56 | T | A | 0.7632 | |
| 57 | I | A | 1.2373 | |
| 58 | V | A | 0.7625 | |
| 59 | E | A | -0.7002 | |
| 60 | D | A | -1.4355 | |
| 61 | I | A | 0.0000 | |
| 62 | N | A | -2.1599 | |
| 63 | K | A | -3.0743 | |
| 64 | R | A | -3.2220 | |
| 65 | R | A | 0.0000 | |
| 66 | E | A | -2.4736 | |
| 67 | P | A | -1.4321 | |
| 68 | L | A | -0.7061 | |
| 69 | P | A | -1.1446 | |
| 70 | S | A | -0.5506 | |
| 71 | L | A | -0.4636 | |
| 72 | E | A | -0.9414 | |
| 73 | A | A | 0.0000 | |
| 74 | V | A | 0.0000 | |
| 75 | Y | A | 0.0000 | |
| 76 | L | A | 0.0000 | |
| 77 | I | A | 0.0000 | |
| 78 | T | A | -0.7034 | |
| 79 | P | A | 0.0000 | |
| 80 | S | A | -1.6284 | |
| 81 | E | A | -3.0235 | |
| 82 | K | A | -2.9257 | |
| 83 | S | A | 0.0000 | |
| 84 | V | A | 0.0000 | |
| 85 | H | A | -2.1821 | |
| 86 | S | A | -1.5961 | |
| 87 | L | A | 0.0000 | |
| 88 | I | A | -1.1995 | |
| 89 | S | A | -1.3578 | |
| 90 | D | A | 0.0000 | |
| 91 | F | A | 0.0000 | |
| 92 | K | A | -2.9050 | |
| 93 | D | A | -2.3447 | |
| 94 | P | A | -1.7292 | |
| 95 | P | A | -0.9294 | |
| 96 | T | A | -0.9337 | |
| 97 | A | A | -1.4235 | |
| 98 | K | A | -1.5425 | |
| 99 | Y | A | 0.0000 | |
| 100 | R | A | -1.9124 | |
| 101 | A | A | 0.0000 | |
| 102 | A | A | 0.0000 | |
| 103 | H | A | 0.0000 | |
| 104 | V | A | 0.0000 | |
| 105 | F | A | 0.0000 | |
| 106 | F | A | 0.0000 | |
| 107 | T | A | 0.0000 | |
| 108 | D | A | 0.0000 | |
| 109 | S | A | -0.5025 | |
| 110 | C | A | -0.5544 | |
| 111 | P | A | -1.1482 | |
| 112 | D | A | -1.9847 | |
| 113 | A | A | -1.4053 | |
| 114 | L | A | 0.0000 | |
| 115 | F | A | -0.4762 | |
| 116 | N | A | -1.4822 | |
| 117 | E | A | -1.9718 | |
| 118 | L | A | 0.0000 | |
| 119 | V | A | -0.0035 | |
| 120 | K | A | -1.9305 | |
| 121 | S | A | -2.1252 | |
| 122 | R | A | -3.0523 | |
| 123 | A | A | 0.0000 | |
| 124 | A | A | -1.2289 | |
| 125 | K | A | -2.2098 | |
| 126 | V | A | -1.5849 | |
| 127 | I | A | -1.0290 | |
| 128 | K | A | -1.6719 | |
| 129 | T | A | -0.6288 | |
| 130 | L | A | 0.0360 | |
| 131 | T | A | -0.2300 | |
| 132 | E | A | -0.8044 | |
| 133 | I | A | 0.0000 | |
| 134 | N | A | -0.4663 | |
| 135 | I | A | 0.0000 | |
| 136 | A | A | 0.0000 | |
| 137 | F | A | 0.0000 | |
| 138 | L | A | -0.3364 | |
| 139 | P | A | 0.0000 | |
| 140 | Y | A | -0.1622 | |
| 141 | E | A | 0.0000 | |
| 142 | S | A | 0.0000 | |
| 143 | Q | A | -0.0779 | |
| 144 | V | A | 0.0000 | |
| 145 | Y | A | 0.0000 | |
| 146 | S | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | D | A | -1.9275 | |
| 149 | S | A | -1.4130 | |
| 150 | A | A | -1.4073 | |
| 151 | D | A | -2.0781 | |
| 152 | S | A | 0.0000 | |
| 153 | F | A | 0.0000 | |
| 154 | Q | A | -1.1032 | |
| 155 | S | A | 0.0000 | |
| 156 | F | A | 0.0000 | |
| 157 | Y | A | 0.0000 | |
| 158 | S | A | 0.0000 | |
| 159 | P | A | -1.2237 | |
| 160 | H | A | -1.8362 | |
| 161 | K | A | -1.5758 | |
| 162 | A | A | -1.0796 | |
| 163 | Q | A | -1.3134 | |
| 164 | M | A | -0.2025 | |
| 165 | K | A | -0.8646 | |
| 166 | N | A | -1.1400 | |
| 167 | P | A | -0.8960 | |
| 168 | I | A | -0.5968 | |
| 169 | L | A | 0.0000 | |
| 170 | E | A | -1.5890 | |
| 171 | R | A | -1.1492 | |
| 172 | L | A | 0.0000 | |
| 173 | A | A | 0.0000 | |
| 174 | E | A | 0.0000 | |
| 175 | Q | A | 0.0000 | |
| 176 | I | A | 0.0000 | |
| 177 | A | A | 0.0000 | |
| 178 | T | A | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | C | A | 0.0000 | |
| 181 | A | A | -0.5768 | |
| 182 | T | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | K | A | -1.5411 | |
| 185 | E | A | 0.0000 | |
| 186 | Y | A | -0.7548 | |
| 187 | P | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | R | A | 0.0000 | |
| 191 | Y | A | -0.3708 | |
| 192 | R | A | -1.4547 | |
| 193 | G | A | -2.1129 | |
| 194 | E | A | -2.7657 | |
| 195 | Y | A | -1.7070 | |
| 196 | K | A | -2.0720 | |
| 197 | D | A | 0.0000 | |
| 198 | N | A | 0.0000 | |
| 199 | A | A | -0.5401 | |
| 200 | L | A | -0.1607 | |
| 201 | L | A | 0.0000 | |
| 202 | A | A | 0.0000 | |
| 203 | Q | A | -0.8622 | |
| 204 | L | A | -1.0757 | |
| 205 | I | A | 0.0000 | |
| 206 | Q | A | 0.0000 | |
| 207 | D | A | -2.3294 | |
| 208 | K | A | -1.7933 | |
| 209 | L | A | 0.0000 | |
| 210 | D | A | -2.0645 | |
| 211 | A | A | -1.6051 | |
| 212 | Y | A | -1.5690 | |
| 213 | K | A | -1.8987 | |
| 214 | A | A | -1.5144 | |
| 215 | D | A | -2.2980 | |
| 216 | D | A | -1.8726 | |
| 217 | P | A | -1.5996 | |
| 218 | T | A | -1.4907 | |
| 219 | M | A | 0.0000 | |
| 220 | G | A | -1.7057 | |
| 221 | E | A | -2.3652 | |
| 222 | G | A | -1.6216 | |
| 223 | P | A | -1.0648 | |
| 224 | D | A | -1.6403 | |
| 225 | K | A | -1.6679 | |
| 226 | A | A | -1.0511 | |
| 227 | R | A | -1.0876 | |
| 228 | S | A | 0.0000 | |
| 229 | Q | A | 0.0000 | |
| 230 | L | A | 0.0000 | |
| 231 | L | A | 0.0000 | |
| 232 | I | A | 0.0000 | |
| 233 | L | A | 0.0000 | |
| 234 | D | A | 0.0000 | |
| 235 | R | A | 0.0000 | |
| 236 | G | A | -0.4108 | |
| 237 | F | A | 0.0000 | |
| 238 | D | A | 0.0000 | |
| 239 | P | A | -0.0377 | |
| 240 | S | A | 0.0000 | |
| 241 | S | A | 0.0000 | |
| 242 | P | A | 0.0000 | |
| 243 | V | A | 0.0000 | |
| 244 | L | A | 0.0000 | |
| 245 | H | A | 0.0000 | |
| 246 | E | A | -0.1827 | |
| 247 | L | A | 0.0000 | |
| 248 | T | A | 0.0000 | |
| 249 | F | A | 0.0000 | |
| 250 | Q | A | 0.0000 | |
| 251 | A | A | -0.1580 | |
| 252 | M | A | 0.0000 | |
| 253 | S | A | 0.0000 | |
| 254 | Y | A | -0.3246 | |
| 255 | D | A | -0.4337 | |
| 256 | L | A | -0.3311 | |
| 257 | L | A | -0.4196 | |
| 258 | P | A | -0.9170 | |
| 259 | I | A | -1.1208 | |
| 260 | E | A | -2.3950 | |
| 261 | N | A | -1.9402 | |
| 262 | D | A | -1.1063 | |
| 263 | V | A | -1.2266 | |
| 264 | Y | A | 0.0000 | |
| 265 | K | A | -2.6100 | |
| 266 | Y | A | 0.0000 | |
| 267 | E | A | -2.8608 | |
| 268 | T | A | -1.7089 | |
| 269 | S | A | -1.1931 | |
| 270 | G | A | -0.7957 | |
| 271 | I | A | 0.9067 | |
| 272 | G | A | -0.7023 | |
| 273 | E | A | -2.1359 | |
| 274 | A | A | -1.8895 | |
| 275 | R | A | -2.4803 | |
| 276 | V | A | -1.4343 | |
| 277 | K | A | -2.5273 | |
| 278 | E | A | -2.4739 | |
| 279 | V | A | -0.4516 | |
| 280 | L | A | 0.2497 | |
| 281 | L | A | 0.0000 | |
| 282 | D | A | -1.0344 | |
| 283 | E | A | 0.0000 | |
| 284 | D | A | -2.1047 | |
| 285 | D | A | -1.9285 | |
| 286 | D | A | -2.2829 | |
| 287 | L | A | 0.0000 | |
| 288 | W | A | 0.0000 | |
| 289 | I | A | -0.9069 | |
| 290 | A | A | -0.5663 | |
| 291 | L | A | 0.0000 | |
| 292 | R | A | 0.0000 | |
| 293 | H | A | -0.4715 | |
| 294 | K | A | -0.9701 | |
| 295 | H | A | -0.7484 | |
| 296 | I | A | 0.0000 | |
| 297 | A | A | -0.7974 | |
| 298 | E | A | -1.8303 | |
| 299 | V | A | 0.0000 | |
| 300 | S | A | -1.5325 | |
| 301 | Q | A | -2.1988 | |
| 302 | E | A | -2.0147 | |
| 303 | V | A | 0.0000 | |
| 304 | T | A | -2.1489 | |
| 305 | R | A | -3.0503 | |
| 306 | S | A | -1.8351 | |
| 307 | L | A | 0.0000 | |
| 308 | K | A | -2.8806 | |
| 309 | D | A | -2.8309 | |
| 310 | F | A | -1.8292 | |
| 311 | S | A | 0.0000 | |
| 312 | S | A | -2.2327 | |
| 313 | S | A | -1.8960 | |
| 314 | K | A | -2.5546 | |
| 315 | R | A | -2.8462 | |
| 316 | M | A | -2.0021 | |
| 317 | N | A | -2.1468 | |
| 318 | T | A | -2.1622 | |
| 319 | G | A | -2.3738 | |
| 320 | E | A | -3.2631 | |
| 321 | K | A | -3.1808 | |
| 322 | T | A | 0.0000 | |
| 323 | T | A | -1.5984 | |
| 324 | M | A | -1.1180 | |
| 325 | R | A | -2.4468 | |
| 326 | D | A | -2.3277 | |
| 327 | L | A | 0.0000 | |
| 328 | S | A | -2.1443 | |
| 329 | Q | A | -2.7335 | |
| 330 | M | A | 0.0000 | |
| 331 | L | A | -2.5090 | |
| 332 | K | A | -3.0447 | |
| 333 | K | A | -2.9773 | |
| 334 | M | A | 0.0000 | |
| 335 | P | A | -2.0509 | |
| 336 | Q | A | -2.1583 | |
| 337 | Y | A | -1.9671 | |
| 338 | Q | A | -2.6529 | |
| 339 | K | A | -2.7735 | |
| 340 | E | A | -2.2273 | |
| 341 | L | A | 0.0000 | |
| 342 | S | A | -1.2645 | |
| 343 | K | A | -1.4011 | |
| 344 | Y | A | -0.4695 | |
| 345 | S | A | 0.0000 | |
| 346 | T | A | 0.0000 | |
| 347 | H | A | 0.0000 | |
| 348 | L | A | -0.5789 | |
| 349 | H | A | -1.2324 | |
| 350 | L | A | 0.0000 | |
| 351 | A | A | 0.0000 | |
| 352 | E | A | -2.4394 | |
| 353 | D | A | -1.8442 | |
| 354 | C | A | 0.0000 | |
| 355 | M | A | -1.8600 | |
| 356 | K | A | -2.8711 | |
| 357 | H | A | -2.1312 | |
| 358 | Y | A | 0.0000 | |
| 359 | Q | A | -2.4186 | |
| 360 | G | A | -2.0732 | |
| 361 | T | A | -1.7130 | |
| 362 | V | A | 0.0000 | |
| 363 | D | A | -2.1932 | |
| 364 | K | A | -2.1538 | |
| 365 | L | A | 0.0000 | |
| 366 | C | A | 0.0000 | |
| 367 | R | A | -2.1332 | |
| 368 | V | A | 0.0000 | |
| 369 | E | A | 0.0000 | |
| 370 | Q | A | 0.0000 | |
| 371 | D | A | 0.0000 | |
| 372 | L | A | 0.0000 | |
| 373 | A | A | 0.2218 | |
| 374 | M | A | -0.0064 | |
| 375 | G | A | -0.9050 | |
| 376 | T | A | -2.0017 | |
| 377 | D | A | -2.2081 | |
| 378 | A | A | -1.8608 | |
| 379 | E | A | -2.9842 | |
| 380 | G | A | -2.4495 | |
| 381 | E | A | -3.5349 | |
| 382 | K | A | -3.3162 | |
| 383 | I | A | -2.1816 | |
| 384 | K | A | -2.8505 | |
| 385 | D | A | -2.2670 | |
| 386 | P | A | 0.0000 | |
| 387 | M | A | -0.8741 | |
| 388 | R | A | -1.9327 | |
| 389 | A | A | -1.0241 | |
| 390 | I | A | 0.0000 | |
| 391 | V | A | 0.5056 | |
| 392 | P | A | 0.1603 | |
| 393 | I | A | 0.0000 | |
| 394 | L | A | 0.0000 | |
| 395 | L | A | 0.9846 | |
| 396 | D | A | 0.0850 | |
| 397 | A | A | -0.4791 | |
| 398 | N | A | -1.2474 | |
| 399 | V | A | 0.0000 | |
| 400 | S | A | -0.5198 | |
| 401 | T | A | -0.4183 | |
| 402 | Y | A | -0.2064 | |
| 403 | D | A | -0.2815 | |
| 404 | K | A | 0.0000 | |
| 405 | I | A | 0.0000 | |
| 406 | R | A | 0.0000 | |
| 407 | I | A | 0.0000 | |
| 408 | I | A | 0.0000 | |
| 409 | L | A | 0.0000 | |
| 410 | L | A | 0.0000 | |
| 411 | Y | A | 0.0000 | |
| 412 | I | A | 0.0000 | |
| 413 | F | A | -0.1807 | |
| 414 | L | A | -0.1714 | |
| 415 | K | A | -0.9638 | |
| 416 | N | A | -1.2548 | |
| 417 | G | A | 0.0000 | |
| 418 | I | A | 0.0000 | |
| 419 | T | A | -1.8148 | |
| 420 | E | A | -3.1479 | |
| 421 | E | A | -3.4148 | |
| 422 | N | A | -2.5296 | |
| 423 | L | A | 0.0000 | |
| 424 | N | A | -3.2600 | |
| 425 | K | A | -3.5107 | |
| 426 | L | A | 0.0000 | |
| 427 | I | A | -1.8259 | |
| 428 | Q | A | -2.8172 | |
| 429 | H | A | -1.9497 | |
| 430 | A | A | 0.0000 | |
| 431 | Q | A | -1.8336 | |
| 432 | I | A | 0.0000 | |
| 433 | P | A | -1.2579 | |
| 434 | P | A | -1.5081 | |
| 435 | E | A | -2.2624 | |
| 436 | D | A | 0.0000 | |
| 437 | S | A | -1.2515 | |
| 438 | E | A | -1.3082 | |
| 439 | I | A | 0.0000 | |
| 440 | I | A | 0.0000 | |
| 441 | T | A | -0.0875 | |
| 442 | N | A | 0.0000 | |
| 443 | M | A | 0.0000 | |
| 444 | A | A | -0.1017 | |
| 445 | H | A | -0.6211 | |
| 446 | L | A | 0.0000 | |
| 447 | G | A | -0.7510 | |
| 448 | V | A | 0.0000 | |
| 449 | P | A | -0.4457 | |
| 450 | I | A | 0.0000 | |
| 451 | V | A | 0.0700 | |
| 452 | T | A | -0.9435 | |
| 453 | D | A | -1.9323 | |
| 454 | S | A | -1.1234 | |
| 455 | T | A | -0.8009 | |
| 456 | L | A | -0.8729 | |
| 457 | R | A | -2.8343 | |
| 458 | R | A | -3.8683 | |
| 459 | R | A | -3.5705 | |
| 460 | S | A | -2.8811 | |
| 461 | K | A | -2.9115 | |
| 462 | P | A | -2.2993 | |
| 463 | E | A | -2.9430 | |
| 464 | R | A | -2.5205 | |
| 465 | K | A | -2.2908 | |
| 466 | E | A | -2.4360 | |
| 467 | R | A | -1.1279 | |
| 468 | I | A | -0.4764 | |
| 469 | S | A | -1.3202 | |
| 470 | E | A | -2.2813 | |
| 471 | Q | A | -1.9462 | |
| 472 | T | A | -0.9393 | |
| 473 | Y | A | -0.3607 | |
| 474 | Q | A | -1.3424 | |
| 475 | L | A | -0.8204 | |
| 476 | S | A | -0.1650 | |
| 477 | R | A | 0.0000 | |
| 478 | W | A | 0.2360 | |
| 479 | T | A | -0.1975 | |
| 480 | P | A | 0.0000 | |
| 481 | I | A | -0.3005 | |
| 482 | I | A | 0.0000 | |
| 483 | K | A | -0.5046 | |
| 484 | D | A | 0.0000 | |
| 485 | I | A | 0.0000 | |
| 486 | M | A | 0.0000 | |
| 487 | E | A | -1.7013 | |
| 488 | D | A | -2.5372 | |
| 489 | T | A | 0.0000 | |
| 490 | I | A | -2.1403 | |
| 491 | E | A | -3.3674 | |
| 492 | D | A | -3.6871 | |
| 493 | K | A | -3.5126 | |
| 494 | L | A | 0.0000 | |
| 495 | D | A | -2.2827 | |
| 496 | T | A | -1.8507 | |
| 497 | K | A | -2.5420 | |
| 498 | H | A | -2.2772 | |
| 499 | Y | A | -1.2467 | |
| 500 | P | A | -0.6623 | |
| 501 | Y | A | 0.0244 | |
| 502 | I | A | 0.3414 | |
| 503 | S | A | -0.2283 | |
| 504 | T | A | -0.4668 | |
| 505 | R | A | -1.0148 | |
| 506 | S | A | -0.6898 | |
| 507 | S | A | -0.4826 | |
| 508 | A | A | -0.1304 | |
| 509 | S | A | -0.1847 | |
| 510 | F | A | 0.3365 | |
| 511 | S | A | 0.0802 | |
| 512 | T | A | 0.2604 | |
| 513 | T | A | 0.3519 | |
| 514 | A | A | 0.8203 | |
| 515 | V | A | 1.6230 | |
| 516 | S | A | 0.4812 | |
| 517 | A | A | -0.2619 | |
| 518 | R | A | -1.2474 | |
| 519 | Y | A | 0.2474 | |
| 520 | G | A | -0.8532 | |
| 521 | H | A | -1.7541 | |
| 522 | W | A | -1.4040 | |
| 523 | H | A | -2.4442 | |
| 524 | K | A | -3.1800 | |
| 525 | N | A | -3.0498 | |
| 526 | K | A | -3.0786 | |
| 527 | A | A | -1.7971 | |
| 528 | P | A | -1.2425 | |
| 529 | G | A | -1.1517 | |
| 530 | E | A | -1.8439 | |
| 531 | Y | A | -0.1387 | |
| 532 | R | A | -1.0325 | |
| 533 | S | A | -0.8288 | |
| 534 | G | A | -1.0654 | |
| 535 | P | A | 0.0000 | |
| 536 | R | A | -0.7870 | |
| 537 | L | A | 0.0000 | |
| 538 | I | A | 0.0000 | |
| 539 | I | A | 0.0000 | |
| 540 | F | A | 0.0000 | |
| 541 | I | A | 0.0000 | |
| 542 | L | A | 0.0000 | |
| 543 | G | A | 0.0000 | |
| 544 | G | A | 0.0000 | |
| 545 | V | A | 0.0000 | |
| 546 | S | A | 0.0000 | |
| 547 | L | A | 0.0000 | |
| 548 | N | A | 0.0000 | |
| 549 | E | A | 0.0000 | |
| 550 | M | A | 0.0000 | |
| 551 | R | A | 0.0000 | |
| 552 | C | A | 0.0000 | |
| 553 | A | A | 0.0000 | |
| 554 | Y | A | -0.5204 | |
| 555 | E | A | -1.0476 | |
| 556 | V | A | 0.0000 | |
| 557 | T | A | 0.0000 | |
| 558 | Q | A | -1.7605 | |
| 559 | A | A | -1.1841 | |
| 560 | N | A | -1.4913 | |
| 561 | G | A | -1.9616 | |
| 562 | K | A | -1.8303 | |
| 563 | W | A | 0.0000 | |
| 564 | E | A | -0.8016 | |
| 565 | V | A | 0.0000 | |
| 566 | L | A | 0.0000 | |
| 567 | I | A | 0.0000 | |
| 568 | G | A | 0.0000 | |
| 569 | S | A | 0.0000 | |
| 570 | T | A | 0.0000 | |
| 571 | H | A | 0.0000 | |
| 572 | I | A | -0.1022 | |
| 573 | L | A | 0.0000 | |
| 574 | T | A | -0.6464 | |
| 575 | P | A | -0.8422 | |
| 576 | Q | A | -1.5013 | |
| 577 | K | A | -1.5167 | |
| 578 | L | A | 0.0000 | |
| 579 | L | A | 0.0000 | |
| 580 | D | A | -1.3020 | |
| 581 | T | A | -1.2595 | |
| 582 | L | A | 0.0000 | |
| 583 | K | A | -1.6516 | |
| 584 | K | A | -1.9014 | |
| 585 | L | A | 0.0000 | |
| 586 | N | A | -1.6037 | |
| 587 | K | A | -2.2904 | |
| 588 | T | A | -2.6457 | |
| 589 | D | A | -3.4394 | |
| 590 | E | A | -3.4715 | |
| 591 | E | A | -3.1986 | |
| 592 | I | A | -1.7195 | |
| 593 | S | A | -1.6120 | |
| 594 | S | A | -1.3653 |
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 | -0.9288 | 2.1141 | View | CSV | PDB |
| 4.5 | -0.9976 | 2.0514 | View | CSV | PDB |
| 5.0 | -1.0823 | 1.9861 | View | CSV | PDB |
| 5.5 | -1.1655 | 1.9345 | View | CSV | PDB |
| 6.0 | -1.2286 | 1.9211 | View | CSV | PDB |
| 6.5 | -1.2572 | 1.9108 | View | CSV | PDB |
| 7.0 | -1.2503 | 1.9049 | View | CSV | PDB |
| 7.5 | -1.2191 | 1.9023 | View | CSV | PDB |
| 8.0 | -1.1748 | 1.9014 | View | CSV | PDB |
| 8.5 | -1.1213 | 1.9011 | View | CSV | PDB |
| 9.0 | -1.0585 | 1.901 | 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