| Chain sequence(s) | MALPRCMWPNYVWRAMMACVVHRGSGAPLTLCLLGCLLQTFHVLSQKLDDVDPLVTTNFGKIRGIKKELNNEILGPVIQFLGVPYAAPPTGEHRFQPPEPPSPWSDIRNATQFAPVCPQNIIDGRLPEVMLPVWFTNNLDVVSSYVQDQSEDCLYLNIYVPTEDVKRISKECARKPGKKICRKGDIRDSGGPKPVMVYIHGGSYMEGTGNLYDGSVLASYGNVIVITVNYRLGVLGFLSTGDQAAKGNYGLLDLIQALRWTSENIGFFGGDPLRITVFGSGAGGSCVNLLTLSHYSEGNRWSNSTKGLFQRAIAQSGTALSSWAVSFQPAKYARILATKVGCNVSDTVELVECLQKKPYKELVDQDVQPARYHIAFGPVIDGDVIPDDPQILMEQGEFLNYDIMLGVNQGEGLKFVENIVDSDDGVSASDFDFAVSNFVDNLYGYPEGKDVLRETIKFMYTDWADRHNPETRRKTLLALFTDHQWVAPAVATADLHSNFGSPTYFYAFYHHCQTDQVPAWADAAHGDEVPYVLGIPMIGPTELFPCNFSKNDVMLSAVVMTYWTNFAKTGDPNQPVPQDTKFIHTKPNRFEEVAWTRYSQKDQLYLHIGLKPRVKEHYRANKVNLWLELVPHLHNLNDISQYTSTTTKVPSTDITLRPTRKNSTPVTSAFPTAKQDDPKQQPSPFSVDQRDYSTELSVTIAVGASLLFLNILAFAALYYKKDKRRHDVHRRCSPQRTTTNDLTHAPEEEIMSLQMKHTDLDHECESIHPHEVVLRTACPPDYTLAMRRSPDDVPLMTPNTITMIPNTIPGIQPLHTFNTFTGGQNNTLPHPHPHPHSHSTTRV 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 (00:12:35)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2e0a9e409b0b74/tmp/folded.pdb (00:12:35)
[INFO] Main: Simulation completed successfully. (00:25:00)
|
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 | 1.4363 | |
| 2 | A | A | 1.0402 | |
| 3 | L | A | 1.3231 | |
| 4 | P | A | -0.1046 | |
| 5 | R | A | -0.8862 | |
| 6 | C | A | 0.6172 | |
| 7 | M | A | 1.1415 | |
| 8 | W | A | 1.2226 | |
| 9 | P | A | 0.6076 | |
| 10 | N | A | 0.0183 | |
| 11 | Y | A | 1.4558 | |
| 12 | V | A | 2.3313 | |
| 13 | W | A | 1.6366 | |
| 14 | R | A | -0.1227 | |
| 15 | A | A | 0.9628 | |
| 16 | M | A | 1.9428 | |
| 17 | M | A | 2.1822 | |
| 18 | A | A | 1.6049 | |
| 19 | C | A | 2.3853 | |
| 20 | V | A | 2.8788 | |
| 21 | V | A | 1.9988 | |
| 22 | H | A | -0.6097 | |
| 23 | R | A | -2.0064 | |
| 24 | G | A | -1.6403 | |
| 25 | S | A | -1.1842 | |
| 26 | G | A | -0.6367 | |
| 27 | A | A | 0.3504 | |
| 28 | P | A | 1.1523 | |
| 29 | L | A | 2.5298 | |
| 30 | T | A | 2.4032 | |
| 31 | L | A | 3.2516 | |
| 32 | C | A | 3.2489 | |
| 33 | L | A | 3.7282 | |
| 34 | L | A | 3.5584 | |
| 35 | G | A | 2.3760 | |
| 36 | C | A | 2.5272 | |
| 37 | L | A | 2.7607 | |
| 38 | L | A | 2.4296 | |
| 39 | Q | A | 0.8111 | |
| 40 | T | A | 1.5237 | |
| 41 | F | A | 2.6399 | |
| 42 | H | A | 1.1712 | |
| 43 | V | A | 2.2664 | |
| 44 | L | A | 1.9505 | |
| 45 | S | A | -0.1136 | |
| 46 | Q | A | -1.4938 | |
| 47 | K | A | -2.6710 | |
| 48 | L | A | -2.0411 | |
| 49 | D | A | -2.4586 | |
| 50 | D | A | -1.6177 | |
| 51 | V | A | 0.4986 | |
| 52 | D | A | -0.3869 | |
| 53 | P | A | 0.0000 | |
| 54 | L | A | -0.5650 | |
| 55 | V | A | 0.0000 | |
| 56 | T | A | -0.2876 | |
| 57 | T | A | 0.0000 | |
| 58 | N | A | -1.2573 | |
| 59 | F | A | -0.5849 | |
| 60 | G | A | -1.0086 | |
| 61 | K | A | -1.3017 | |
| 62 | I | A | 0.0000 | |
| 63 | R | A | -0.8323 | |
| 64 | G | A | 0.0000 | |
| 65 | I | A | -0.0433 | |
| 66 | K | A | -1.4270 | |
| 67 | K | A | -2.2332 | |
| 68 | E | A | -2.8965 | |
| 69 | L | A | -1.8541 | |
| 70 | N | A | -1.9769 | |
| 71 | N | A | -1.4964 | |
| 72 | E | A | -1.8361 | |
| 73 | I | A | 0.1296 | |
| 74 | L | A | -0.4504 | |
| 75 | G | A | -1.2983 | |
| 76 | P | A | -2.0369 | |
| 77 | V | A | 0.0000 | |
| 78 | I | A | 0.0000 | |
| 79 | Q | A | 0.0000 | |
| 80 | F | A | 0.0000 | |
| 81 | L | A | -0.1556 | |
| 82 | G | A | -0.3253 | |
| 83 | V | A | 0.0000 | |
| 84 | P | A | 0.0000 | |
| 85 | Y | A | 0.0000 | |
| 86 | A | A | 0.0000 | |
| 87 | A | A | -0.9220 | |
| 88 | P | A | -0.8670 | |
| 89 | P | A | 0.0000 | |
| 90 | T | A | -1.0913 | |
| 91 | G | A | -2.0755 | |
| 92 | E | A | -2.7921 | |
| 93 | H | A | -2.0299 | |
| 94 | R | A | 0.0000 | |
| 95 | F | A | 0.0000 | |
| 96 | Q | A | -1.6511 | |
| 97 | P | A | -1.1113 | |
| 98 | P | A | -1.3085 | |
| 99 | E | A | -2.1688 | |
| 100 | P | A | -1.2405 | |
| 101 | P | A | 0.0000 | |
| 102 | S | A | -0.5561 | |
| 103 | P | A | -0.7191 | |
| 104 | W | A | -0.8392 | |
| 105 | S | A | -1.1018 | |
| 106 | D | A | -2.0110 | |
| 107 | I | A | -1.1211 | |
| 108 | R | A | -1.8847 | |
| 109 | N | A | -1.9835 | |
| 110 | A | A | 0.0000 | |
| 111 | T | A | -0.8046 | |
| 112 | Q | A | -0.9788 | |
| 113 | F | A | -0.1825 | |
| 114 | A | A | -0.4347 | |
| 115 | P | A | -1.0877 | |
| 116 | V | A | 0.0000 | |
| 117 | C | A | 0.0000 | |
| 118 | P | A | 0.0000 | |
| 119 | Q | A | 0.0000 | |
| 120 | N | A | -0.7241 | |
| 121 | I | A | 0.0000 | |
| 122 | I | A | 0.6700 | |
| 123 | D | A | -1.5688 | |
| 124 | G | A | -1.2751 | |
| 125 | R | A | -1.8305 | |
| 126 | L | A | -0.6967 | |
| 127 | P | A | -1.0275 | |
| 128 | E | A | -1.1763 | |
| 129 | V | A | -0.3087 | |
| 130 | M | A | 0.0000 | |
| 131 | L | A | 0.0000 | |
| 132 | P | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | W | A | 0.0000 | |
| 135 | F | A | 0.0000 | |
| 136 | T | A | -0.4038 | |
| 137 | N | A | -0.8939 | |
| 138 | N | A | 0.0000 | |
| 139 | L | A | 0.0334 | |
| 140 | D | A | -1.3729 | |
| 141 | V | A | -0.8673 | |
| 142 | V | A | 0.0000 | |
| 143 | S | A | -0.6518 | |
| 144 | S | A | -0.9261 | |
| 145 | Y | A | -0.5375 | |
| 146 | V | A | 0.0000 | |
| 147 | Q | A | -2.1687 | |
| 148 | D | A | -2.4780 | |
| 149 | Q | A | -1.8102 | |
| 150 | S | A | -1.1082 | |
| 151 | E | A | 0.0000 | |
| 152 | D | A | -0.7415 | |
| 153 | C | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | Y | A | 0.1405 | |
| 156 | L | A | 0.0000 | |
| 157 | N | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | Y | A | 0.0000 | |
| 160 | V | A | 0.0000 | |
| 161 | P | A | 0.0000 | |
| 162 | T | A | -1.3756 | |
| 163 | E | A | -2.2373 | |
| 164 | D | A | -1.9204 | |
| 165 | V | A | -0.7563 | |
| 166 | K | A | -2.6365 | |
| 167 | R | A | -2.7671 | |
| 168 | I | A | -1.2920 | |
| 169 | S | A | -1.8926 | |
| 170 | K | A | -3.0651 | |
| 171 | E | A | -3.1284 | |
| 172 | C | A | -2.7832 | |
| 173 | A | A | -2.2388 | |
| 174 | R | A | -3.4018 | |
| 175 | K | A | -3.5113 | |
| 176 | P | A | -2.6080 | |
| 177 | G | A | -2.3207 | |
| 178 | K | A | -2.9438 | |
| 179 | K | A | -3.1032 | |
| 180 | I | A | -1.9264 | |
| 181 | C | A | -2.4793 | |
| 182 | R | A | -3.6314 | |
| 183 | K | A | -3.2146 | |
| 184 | G | A | -2.3365 | |
| 185 | D | A | -2.0741 | |
| 186 | I | A | -0.1855 | |
| 187 | R | A | -1.9227 | |
| 188 | D | A | -2.4077 | |
| 189 | S | A | -1.7550 | |
| 190 | G | A | -1.6085 | |
| 191 | G | A | -1.3518 | |
| 192 | P | A | -0.8070 | |
| 193 | K | A | 0.0000 | |
| 194 | P | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | M | A | 0.0000 | |
| 197 | V | A | 0.0000 | |
| 198 | Y | A | 0.0000 | |
| 199 | I | A | 0.0000 | |
| 200 | H | A | 0.0000 | |
| 201 | G | A | 0.0000 | |
| 202 | G | A | 0.0000 | |
| 203 | S | A | 0.0000 | |
| 204 | Y | A | 0.0000 | |
| 205 | M | A | 0.3281 | |
| 206 | E | A | 0.0000 | |
| 207 | G | A | 0.0000 | |
| 208 | T | A | 0.0000 | |
| 209 | G | A | 0.0000 | |
| 210 | N | A | 0.0000 | |
| 211 | L | A | 0.0000 | |
| 212 | Y | A | 0.0000 | |
| 213 | D | A | -0.8764 | |
| 214 | G | A | 0.0000 | |
| 215 | S | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | L | A | 0.0000 | |
| 218 | A | A | 0.0000 | |
| 219 | S | A | 0.0000 | |
| 220 | Y | A | 0.2968 | |
| 221 | G | A | 0.0000 | |
| 222 | N | A | -0.8135 | |
| 223 | V | A | 0.0000 | |
| 224 | I | A | 0.0000 | |
| 225 | V | A | 0.0000 | |
| 226 | I | A | 0.0000 | |
| 227 | T | A | 0.0000 | |
| 228 | V | A | 0.0000 | |
| 229 | N | A | 0.0000 | |
| 230 | Y | A | 0.0000 | |
| 231 | R | A | 0.0000 | |
| 232 | L | A | 0.0000 | |
| 233 | G | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | L | A | 0.0000 | |
| 236 | G | A | 0.0000 | |
| 237 | F | A | 0.0000 | |
| 238 | L | A | 0.0000 | |
| 239 | S | A | 0.0000 | |
| 240 | T | A | 0.0000 | |
| 241 | G | A | -1.4872 | |
| 242 | D | A | -1.9914 | |
| 243 | Q | A | -1.9151 | |
| 244 | A | A | -1.4736 | |
| 245 | A | A | 0.0000 | |
| 246 | K | A | -1.7193 | |
| 247 | G | A | 0.0000 | |
| 248 | N | A | 0.0000 | |
| 249 | Y | A | 0.0000 | |
| 250 | G | A | 0.0000 | |
| 251 | L | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | D | A | 0.0000 | |
| 254 | L | A | 0.0000 | |
| 255 | I | A | 0.0000 | |
| 256 | Q | A | 0.0000 | |
| 257 | A | A | 0.0000 | |
| 258 | L | A | 0.0000 | |
| 259 | R | A | -1.4313 | |
| 260 | W | A | 0.0000 | |
| 261 | T | A | 0.0000 | |
| 262 | S | A | -1.2503 | |
| 263 | E | A | -2.1667 | |
| 264 | N | A | 0.0000 | |
| 265 | I | A | 0.0000 | |
| 266 | G | A | 0.1793 | |
| 267 | F | A | 0.4684 | |
| 268 | F | A | 0.0000 | |
| 269 | G | A | -0.1835 | |
| 270 | G | A | 0.0000 | |
| 271 | D | A | -0.2676 | |
| 272 | P | A | -0.5322 | |
| 273 | L | A | -0.0067 | |
| 274 | R | A | -0.2963 | |
| 275 | I | A | 0.0000 | |
| 276 | T | A | 0.0000 | |
| 277 | V | A | 0.0000 | |
| 278 | F | A | 0.0000 | |
| 279 | G | A | 0.0000 | |
| 280 | S | A | 0.0000 | |
| 281 | G | A | 0.0000 | |
| 282 | A | A | 0.0000 | |
| 283 | G | A | 0.0000 | |
| 284 | G | A | 0.0000 | |
| 285 | S | A | 0.0000 | |
| 286 | C | A | 0.0000 | |
| 287 | V | A | 0.0000 | |
| 288 | N | A | 0.0000 | |
| 289 | L | A | 0.0000 | |
| 290 | L | A | 0.0000 | |
| 291 | T | A | 0.0000 | |
| 292 | L | A | 0.0000 | |
| 293 | S | A | 0.0000 | |
| 294 | H | A | -1.2945 | |
| 295 | Y | A | -0.4056 | |
| 296 | S | A | 0.0000 | |
| 297 | E | A | -1.8025 | |
| 298 | G | A | -1.9301 | |
| 299 | N | A | -2.0346 | |
| 300 | R | A | -2.1072 | |
| 301 | W | A | -0.4221 | |
| 302 | S | A | -1.5529 | |
| 303 | N | A | -1.7748 | |
| 304 | S | A | -1.5555 | |
| 305 | T | A | -1.6816 | |
| 306 | K | A | -2.2545 | |
| 307 | G | A | -1.7996 | |
| 308 | L | A | 0.0000 | |
| 309 | F | A | 0.0000 | |
| 310 | Q | A | -0.7905 | |
| 311 | R | A | -0.5926 | |
| 312 | A | A | 0.0000 | |
| 313 | I | A | 0.0000 | |
| 314 | A | A | 0.0000 | |
| 315 | Q | A | 0.0000 | |
| 316 | S | A | 0.0000 | |
| 317 | G | A | 0.0000 | |
| 318 | T | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | L | A | 0.0769 | |
| 321 | S | A | 0.0000 | |
| 322 | S | A | 0.0401 | |
| 323 | W | A | 0.0000 | |
| 324 | A | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | S | A | 0.0000 | |
| 327 | F | A | 1.2197 | |
| 328 | Q | A | -0.6952 | |
| 329 | P | A | -0.7742 | |
| 330 | A | A | -1.1488 | |
| 331 | K | A | -1.4977 | |
| 332 | Y | A | 0.0000 | |
| 333 | A | A | 0.0000 | |
| 334 | R | A | -1.2303 | |
| 335 | I | A | -0.7480 | |
| 336 | L | A | 0.0000 | |
| 337 | A | A | 0.0000 | |
| 338 | T | A | -1.2027 | |
| 339 | K | A | -1.7560 | |
| 340 | V | A | 0.0000 | |
| 341 | G | A | -1.1129 | |
| 342 | C | A | 0.0000 | |
| 343 | N | A | -1.9331 | |
| 344 | V | A | -1.1635 | |
| 345 | S | A | -1.2655 | |
| 346 | D | A | -1.9276 | |
| 347 | T | A | -1.6408 | |
| 348 | V | A | -1.0155 | |
| 349 | E | A | -2.3641 | |
| 350 | L | A | 0.0000 | |
| 351 | V | A | 0.0000 | |
| 352 | E | A | -2.4044 | |
| 353 | C | A | -1.6967 | |
| 354 | L | A | 0.0000 | |
| 355 | Q | A | -2.2731 | |
| 356 | K | A | -2.5537 | |
| 357 | K | A | -1.8893 | |
| 358 | P | A | -1.3311 | |
| 359 | Y | A | -1.1137 | |
| 360 | K | A | -2.1442 | |
| 361 | E | A | -1.8974 | |
| 362 | L | A | 0.0000 | |
| 363 | V | A | -1.0630 | |
| 364 | D | A | -2.2139 | |
| 365 | Q | A | -1.6940 | |
| 366 | D | A | -1.8095 | |
| 367 | V | A | -1.0769 | |
| 368 | Q | A | -1.6719 | |
| 369 | P | A | -1.3907 | |
| 370 | A | A | -1.0399 | |
| 371 | R | A | -1.7622 | |
| 372 | Y | A | 0.0000 | |
| 373 | H | A | -0.7598 | |
| 374 | I | A | 0.0000 | |
| 375 | A | A | 0.0000 | |
| 376 | F | A | 0.0000 | |
| 377 | G | A | 0.0000 | |
| 378 | P | A | 0.0000 | |
| 379 | V | A | 0.0000 | |
| 380 | I | A | -0.0777 | |
| 381 | D | A | -1.3550 | |
| 382 | G | A | -1.2495 | |
| 383 | D | A | -1.1868 | |
| 384 | V | A | 0.0000 | |
| 385 | I | A | 0.0000 | |
| 386 | P | A | -1.2876 | |
| 387 | D | A | -1.4283 | |
| 388 | D | A | -0.3463 | |
| 389 | P | A | 0.0000 | |
| 390 | Q | A | -0.5720 | |
| 391 | I | A | -0.2844 | |
| 392 | L | A | 0.0000 | |
| 393 | M | A | 0.0000 | |
| 394 | E | A | -2.2568 | |
| 395 | Q | A | -2.1446 | |
| 396 | G | A | -1.8040 | |
| 397 | E | A | -2.4587 | |
| 398 | F | A | -1.3564 | |
| 399 | L | A | -1.0921 | |
| 400 | N | A | -1.5081 | |
| 401 | Y | A | 0.0000 | |
| 402 | D | A | -0.6824 | |
| 403 | I | A | 0.0000 | |
| 404 | M | A | 0.0000 | |
| 405 | L | A | 0.0000 | |
| 406 | G | A | 0.0000 | |
| 407 | V | A | 0.0000 | |
| 408 | N | A | 0.0000 | |
| 409 | Q | A | -0.3732 | |
| 410 | G | A | 0.0000 | |
| 411 | E | A | 0.0000 | |
| 412 | G | A | 0.0000 | |
| 413 | L | A | 0.0000 | |
| 414 | K | A | -0.7643 | |
| 415 | F | A | -0.3422 | |
| 416 | V | A | 0.0000 | |
| 417 | E | A | -1.4370 | |
| 418 | N | A | -1.5836 | |
| 419 | I | A | -0.8951 | |
| 420 | V | A | -1.5900 | |
| 421 | D | A | -2.4721 | |
| 422 | S | A | -1.8787 | |
| 423 | D | A | -2.8058 | |
| 424 | D | A | -2.3435 | |
| 425 | G | A | 0.0000 | |
| 426 | V | A | 0.0000 | |
| 427 | S | A | -0.7545 | |
| 428 | A | A | -0.7428 | |
| 429 | S | A | -0.3122 | |
| 430 | D | A | -0.2515 | |
| 431 | F | A | 0.0000 | |
| 432 | D | A | -0.6581 | |
| 433 | F | A | 1.0751 | |
| 434 | A | A | 0.0000 | |
| 435 | V | A | 0.0000 | |
| 436 | S | A | -0.6425 | |
| 437 | N | A | -0.4215 | |
| 438 | F | A | 0.0000 | |
| 439 | V | A | 0.0000 | |
| 440 | D | A | -0.4618 | |
| 441 | N | A | -0.7412 | |
| 442 | L | A | -0.1868 | |
| 443 | Y | A | 0.1906 | |
| 444 | G | A | 0.2785 | |
| 445 | Y | A | 0.4679 | |
| 446 | P | A | -0.9061 | |
| 447 | E | A | -2.2634 | |
| 448 | G | A | -1.6439 | |
| 449 | K | A | 0.0000 | |
| 450 | D | A | -2.2661 | |
| 451 | V | A | -0.9850 | |
| 452 | L | A | 0.0000 | |
| 453 | R | A | -1.5625 | |
| 454 | E | A | -1.8441 | |
| 455 | T | A | -0.2794 | |
| 456 | I | A | 0.0000 | |
| 457 | K | A | -0.1997 | |
| 458 | F | A | 1.3967 | |
| 459 | M | A | 0.6753 | |
| 460 | Y | A | 0.0000 | |
| 461 | T | A | -0.1086 | |
| 462 | D | A | -0.9741 | |
| 463 | W | A | -0.1091 | |
| 464 | A | A | -0.6901 | |
| 465 | D | A | -1.9116 | |
| 466 | R | A | -2.6633 | |
| 467 | H | A | -2.3869 | |
| 468 | N | A | -2.0558 | |
| 469 | P | A | -2.0511 | |
| 470 | E | A | -2.0205 | |
| 471 | T | A | -1.6056 | |
| 472 | R | A | -1.6388 | |
| 473 | R | A | 0.0000 | |
| 474 | K | A | -0.9368 | |
| 475 | T | A | -0.6414 | |
| 476 | L | A | 0.0000 | |
| 477 | L | A | 0.0000 | |
| 478 | A | A | -0.2533 | |
| 479 | L | A | 0.0000 | |
| 480 | F | A | 0.0000 | |
| 481 | T | A | 0.0000 | |
| 482 | D | A | 0.0000 | |
| 483 | H | A | -0.1012 | |
| 484 | Q | A | 0.0000 | |
| 485 | W | A | 0.0000 | |
| 486 | V | A | 0.0000 | |
| 487 | A | A | 0.0000 | |
| 488 | P | A | 0.0000 | |
| 489 | A | A | 0.0000 | |
| 490 | V | A | 0.0000 | |
| 491 | A | A | -0.3012 | |
| 492 | T | A | 0.0000 | |
| 493 | A | A | 0.0000 | |
| 494 | D | A | -1.0141 | |
| 495 | L | A | -0.9032 | |
| 496 | H | A | 0.0000 | |
| 497 | S | A | -1.2571 | |
| 498 | N | A | -1.4874 | |
| 499 | F | A | -0.4271 | |
| 500 | G | A | -0.5860 | |
| 501 | S | A | 0.0000 | |
| 502 | P | A | -0.9887 | |
| 503 | T | A | 0.0000 | |
| 504 | Y | A | 0.0000 | |
| 505 | F | A | 0.0000 | |
| 506 | Y | A | 0.0000 | |
| 507 | A | A | 0.0000 | |
| 508 | F | A | 0.0000 | |
| 509 | Y | A | -0.2121 | |
| 510 | H | A | -0.4648 | |
| 511 | H | A | -0.5603 | |
| 512 | C | A | -0.8190 | |
| 513 | Q | A | -1.7834 | |
| 514 | T | A | -1.9576 | |
| 515 | D | A | -2.7160 | |
| 516 | Q | A | -2.1771 | |
| 517 | V | A | -1.3316 | |
| 518 | P | A | -0.9406 | |
| 519 | A | A | -0.6212 | |
| 520 | W | A | -0.3711 | |
| 521 | A | A | 0.0000 | |
| 522 | D | A | -0.8295 | |
| 523 | A | A | 0.0000 | |
| 524 | A | A | 0.0000 | |
| 525 | H | A | 0.0000 | |
| 526 | G | A | 0.0000 | |
| 527 | D | A | -0.4686 | |
| 528 | E | A | 0.0000 | |
| 529 | V | A | 0.0000 | |
| 530 | P | A | 0.0000 | |
| 531 | Y | A | 0.0000 | |
| 532 | V | A | 0.0000 | |
| 533 | L | A | 0.0000 | |
| 534 | G | A | 0.0000 | |
| 535 | I | A | 0.0000 | |
| 536 | P | A | 0.0000 | |
| 537 | M | A | 0.0000 | |
| 538 | I | A | -0.3167 | |
| 539 | G | A | -0.4830 | |
| 540 | P | A | -1.0157 | |
| 541 | T | A | -1.2083 | |
| 542 | E | A | -2.0753 | |
| 543 | L | A | 0.0000 | |
| 544 | F | A | 0.0000 | |
| 545 | P | A | -1.5166 | |
| 546 | C | A | 0.0000 | |
| 547 | N | A | -1.8547 | |
| 548 | F | A | -1.0392 | |
| 549 | S | A | -1.2539 | |
| 550 | K | A | -2.0904 | |
| 551 | N | A | -1.2241 | |
| 552 | D | A | 0.0000 | |
| 553 | V | A | -0.5540 | |
| 554 | M | A | 0.0000 | |
| 555 | L | A | 0.0000 | |
| 556 | S | A | 0.0000 | |
| 557 | A | A | 0.0000 | |
| 558 | V | A | 0.0000 | |
| 559 | V | A | 0.0000 | |
| 560 | M | A | 0.0000 | |
| 561 | T | A | 0.0000 | |
| 562 | Y | A | 0.0000 | |
| 563 | W | A | 0.0000 | |
| 564 | T | A | 0.0000 | |
| 565 | N | A | 0.0000 | |
| 566 | F | A | 0.0000 | |
| 567 | A | A | 0.0000 | |
| 568 | K | A | -0.5262 | |
| 569 | T | A | -0.6345 | |
| 570 | G | A | 0.0000 | |
| 571 | D | A | -1.0349 | |
| 572 | P | A | 0.0000 | |
| 573 | N | A | -0.8946 | |
| 574 | Q | A | -1.2800 | |
| 575 | P | A | -0.6856 | |
| 576 | V | A | -0.1074 | |
| 577 | P | A | -1.4020 | |
| 578 | Q | A | 0.0000 | |
| 579 | D | A | -2.7809 | |
| 580 | T | A | -1.8569 | |
| 581 | K | A | -1.1692 | |
| 582 | F | A | 1.0626 | |
| 583 | I | A | 0.0000 | |
| 584 | H | A | 0.0000 | |
| 585 | T | A | -0.5765 | |
| 586 | K | A | -1.2454 | |
| 587 | P | A | -1.5227 | |
| 588 | N | A | 0.0000 | |
| 589 | R | A | -2.5751 | |
| 590 | F | A | 0.0000 | |
| 591 | E | A | -3.4862 | |
| 592 | E | A | -3.2204 | |
| 593 | V | A | -1.8426 | |
| 594 | A | A | -1.2452 | |
| 595 | W | A | 0.0000 | |
| 596 | T | A | -0.8484 | |
| 597 | R | A | -1.9470 | |
| 598 | Y | A | 0.0000 | |
| 599 | S | A | -1.9840 | |
| 600 | Q | A | -2.1841 | |
| 601 | K | A | -2.8656 | |
| 602 | D | A | -2.5580 | |
| 603 | Q | A | -2.2417 | |
| 604 | L | A | -1.6566 | |
| 605 | Y | A | 0.0000 | |
| 606 | L | A | 0.0000 | |
| 607 | H | A | -1.0265 | |
| 608 | I | A | 0.0000 | |
| 609 | G | A | 0.0000 | |
| 610 | L | A | -0.8227 | |
| 611 | K | A | -2.1106 | |
| 612 | P | A | -2.1354 | |
| 613 | R | A | -2.4136 | |
| 614 | V | A | -0.9780 | |
| 615 | K | A | -1.6425 | |
| 616 | E | A | -2.4601 | |
| 617 | H | A | -2.2210 | |
| 618 | Y | A | 0.0000 | |
| 619 | R | A | -1.5959 | |
| 620 | A | A | -1.6433 | |
| 621 | N | A | -1.8608 | |
| 622 | K | A | -1.3442 | |
| 623 | V | A | 0.0000 | |
| 624 | N | A | -1.8972 | |
| 625 | L | A | 0.0000 | |
| 626 | W | A | 0.0000 | |
| 627 | L | A | -0.7510 | |
| 628 | E | A | -1.9417 | |
| 629 | L | A | -0.9062 | |
| 630 | V | A | 0.0000 | |
| 631 | P | A | -1.1706 | |
| 632 | H | A | -1.5732 | |
| 633 | L | A | -0.9527 | |
| 634 | H | A | -1.0354 | |
| 635 | N | A | -1.6501 | |
| 636 | L | A | -0.4600 | |
| 637 | N | A | 0.0000 | |
| 638 | D | A | -1.5318 | |
| 639 | I | A | 0.8770 | |
| 640 | S | A | -0.3250 | |
| 641 | Q | A | -0.8581 | |
| 642 | Y | A | 0.8186 | |
| 643 | T | A | 0.2773 | |
| 644 | S | A | -0.0501 | |
| 645 | T | A | -0.3617 | |
| 646 | T | A | -0.2154 | |
| 647 | T | A | -0.5375 | |
| 648 | K | A | -0.9911 | |
| 649 | V | A | 0.7356 | |
| 650 | P | A | -0.1566 | |
| 651 | S | A | -0.3739 | |
| 652 | T | A | -0.6189 | |
| 653 | D | A | -0.9416 | |
| 654 | I | A | 1.4042 | |
| 655 | T | A | 0.8694 | |
| 656 | L | A | 1.0055 | |
| 657 | R | A | -1.2482 | |
| 658 | P | A | -1.2434 | |
| 659 | T | A | -1.8748 | |
| 660 | R | A | -2.9991 | |
| 661 | K | A | -3.2904 | |
| 662 | N | A | -2.6093 | |
| 663 | S | A | -1.2515 | |
| 664 | T | A | -0.2045 | |
| 665 | P | A | 0.4849 | |
| 666 | V | A | 1.5630 | |
| 667 | T | A | 0.6691 | |
| 668 | S | A | 0.5152 | |
| 669 | A | A | 0.8012 | |
| 670 | F | A | 1.7791 | |
| 671 | P | A | 0.7272 | |
| 672 | T | A | -0.0555 | |
| 673 | A | A | -1.0886 | |
| 674 | K | A | -2.6947 | |
| 675 | Q | A | -3.3055 | |
| 676 | D | A | -3.6226 | |
| 677 | D | A | -3.3427 | |
| 678 | P | A | -2.5616 | |
| 679 | K | A | -2.9816 | |
| 680 | Q | A | -2.6985 | |
| 681 | Q | A | -2.2982 | |
| 682 | P | A | -1.3328 | |
| 683 | S | A | -0.3571 | |
| 684 | P | A | 0.6517 | |
| 685 | F | A | 1.9317 | |
| 686 | S | A | 0.9122 | |
| 687 | V | A | 0.7171 | |
| 688 | D | A | -2.0589 | |
| 689 | Q | A | -2.6896 | |
| 690 | R | A | -3.2756 | |
| 691 | D | A | -3.0343 | |
| 692 | Y | A | -1.0541 | |
| 693 | S | A | -0.9495 | |
| 694 | T | A | -0.8275 | |
| 695 | E | A | -0.6707 | |
| 696 | L | A | 0.9524 | |
| 697 | S | A | 1.4510 | |
| 698 | V | A | 2.2926 | |
| 699 | T | A | 1.9710 | |
| 700 | I | A | 2.9728 | |
| 701 | A | A | 2.5192 | |
| 702 | V | A | 3.2905 | |
| 703 | G | A | 2.4465 | |
| 704 | A | A | 2.6646 | |
| 705 | S | A | 2.9350 | |
| 706 | L | A | 3.8215 | |
| 707 | L | A | 4.0486 | |
| 708 | F | A | 4.6728 | |
| 709 | L | A | 4.0657 | |
| 710 | N | A | 2.8762 | |
| 711 | I | A | 4.1162 | |
| 712 | L | A | 3.5367 | |
| 713 | A | A | 2.6388 | |
| 714 | F | A | 2.7837 | |
| 715 | A | A | 2.0881 | |
| 716 | A | A | 1.3059 | |
| 717 | L | A | 1.3233 | |
| 718 | Y | A | 0.8537 | |
| 719 | Y | A | -0.1916 | |
| 720 | K | A | -2.3254 | |
| 721 | K | A | -3.1125 | |
| 722 | D | A | -3.9283 | |
| 723 | K | A | -4.6016 | |
| 724 | R | A | -4.9615 | |
| 725 | R | A | -4.8437 | |
| 726 | H | A | -4.7137 | |
| 727 | D | A | -4.3797 | |
| 728 | V | A | -2.2551 | |
| 729 | H | A | -2.9546 | |
| 730 | R | A | -3.5094 | |
| 731 | R | A | -2.7140 | |
| 732 | C | A | -1.1051 | |
| 733 | S | A | -1.4295 | |
| 734 | P | A | -1.4459 | |
| 735 | Q | A | -2.2055 | |
| 736 | R | A | -2.5634 | |
| 737 | T | A | -1.3425 | |
| 738 | T | A | -0.8393 | |
| 739 | T | A | -1.1158 | |
| 740 | N | A | -1.9563 | |
| 741 | D | A | -1.7490 | |
| 742 | L | A | 0.1800 | |
| 743 | T | A | -0.1221 | |
| 744 | H | A | -0.7554 | |
| 745 | A | A | -0.9582 | |
| 746 | P | A | -1.6497 | |
| 747 | E | A | -3.1789 | |
| 748 | E | A | -3.2364 | |
| 749 | E | A | -1.7974 | |
| 750 | I | A | 1.1738 | |
| 751 | M | A | 1.8660 | |
| 752 | S | A | 1.2374 | |
| 753 | L | A | 1.2894 | |
| 754 | Q | A | -0.4008 | |
| 755 | M | A | -0.3352 | |
| 756 | K | A | -2.1431 | |
| 757 | H | A | -2.0557 | |
| 758 | T | A | -1.7610 | |
| 759 | D | A | -1.9033 | |
| 760 | L | A | -0.4426 | |
| 761 | D | A | -2.2921 | |
| 762 | H | A | -2.3029 | |
| 763 | E | A | -2.6333 | |
| 764 | C | A | -1.4073 | |
| 765 | E | A | -1.5518 | |
| 766 | S | A | -0.1826 | |
| 767 | I | A | 1.0155 | |
| 768 | H | A | -0.3831 | |
| 769 | P | A | -1.0072 | |
| 770 | H | A | -1.6214 | |
| 771 | E | A | -0.8384 | |
| 772 | V | A | 1.6479 | |
| 773 | V | A | 2.2805 | |
| 774 | L | A | 1.7326 | |
| 775 | R | A | -0.3508 | |
| 776 | T | A | -0.2174 | |
| 777 | A | A | -0.0561 | |
| 778 | C | A | 0.1207 | |
| 779 | P | A | -0.2674 | |
| 780 | P | A | -0.7827 | |
| 781 | D | A | -1.0652 | |
| 782 | Y | A | 0.7030 | |
| 783 | T | A | 0.9118 | |
| 784 | L | A | 1.5684 | |
| 785 | A | A | 0.6863 | |
| 786 | M | A | 0.0122 | |
| 787 | R | A | -2.0522 | |
| 788 | R | A | -2.8233 | |
| 789 | S | A | -2.1355 | |
| 790 | P | A | -1.1841 | |
| 791 | D | A | -1.2056 | |
| 792 | D | A | -1.5939 | |
| 793 | V | A | 0.3223 | |
| 794 | P | A | 0.7539 | |
| 795 | L | A | 1.9484 | |
| 796 | M | A | 1.6583 | |
| 797 | T | A | 0.2891 | |
| 798 | P | A | -0.1215 | |
| 799 | N | A | -0.8030 | |
| 800 | T | A | 0.3408 | |
| 801 | I | A | 2.0965 | |
| 802 | T | A | 1.7871 | |
| 803 | M | A | 2.3018 | |
| 804 | I | A | 2.3269 | |
| 805 | P | A | 0.5942 | |
| 806 | N | A | -0.4347 | |
| 807 | T | A | 0.1543 | |
| 808 | I | A | 1.6657 | |
| 809 | P | A | 1.0679 | |
| 810 | G | A | 0.6139 | |
| 811 | I | A | 1.2400 | |
| 812 | Q | A | -0.0571 | |
| 813 | P | A | 0.1598 | |
| 814 | L | A | 0.7101 | |
| 815 | H | A | 0.0645 | |
| 816 | T | A | 0.4127 | |
| 817 | F | A | 1.0550 | |
| 818 | N | A | 0.0335 | |
| 819 | T | A | 0.6266 | |
| 820 | F | A | 1.5284 | |
| 821 | T | A | 0.5603 | |
| 822 | G | A | -0.6211 | |
| 823 | G | A | -1.5749 | |
| 824 | Q | A | -2.4654 | |
| 825 | N | A | -2.6430 | |
| 826 | N | A | -1.8544 | |
| 827 | T | A | -0.2192 | |
| 828 | L | A | 0.9285 | |
| 829 | P | A | 0.0507 | |
| 830 | H | A | -1.1477 | |
| 831 | P | A | -1.3661 | |
| 832 | H | A | -1.6729 | |
| 833 | P | A | -1.3831 | |
| 834 | H | A | -1.6789 | |
| 835 | P | A | -1.3778 | |
| 836 | H | A | -1.6305 | |
| 837 | S | A | -1.3133 | |
| 838 | H | A | -1.4241 | |
| 839 | S | A | -0.7899 | |
| 840 | T | A | -0.7843 | |
| 841 | T | A | -0.6349 | |
| 842 | R | A | -0.8976 | |
| 843 | V | A | 0.7231 |
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 | -0.1738 | 7.9523 | View | CSV | PDB |
| 4.5 | -0.2391 | 7.9523 | View | CSV | PDB |
| 5.0 | -0.3163 | 7.9523 | View | CSV | PDB |
| 5.5 | -0.3912 | 7.9523 | View | CSV | PDB |
| 6.0 | -0.4509 | 7.9523 | View | CSV | PDB |
| 6.5 | -0.4888 | 7.9523 | View | CSV | PDB |
| 7.0 | -0.5081 | 7.9523 | View | CSV | PDB |
| 7.5 | -0.5164 | 7.9523 | View | CSV | PDB |
| 8.0 | -0.5183 | 7.9523 | View | CSV | PDB |
| 8.5 | -0.5126 | 7.9523 | View | CSV | PDB |
| 9.0 | -0.4961 | 7.9523 | 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