| Chain sequence(s) | MSRPQGLLWLPLLFTPVCVMLNSNVLLWLTALAIKFTLIDSQAQYPVVNTNYGKIRGLRTPLPNEILGPVEQYLGVPYASPPTGERRFQPPEPPSSWTGIRNTTQFAAVCPQHLDERSLLHDMLPIWFTANLDTLMTYVQDQNEDCLYLNIYVPTEDDIHDQNSKKPVMVYIHGGSYMEGTGNMIDGSILASYGNVIVITINYRLGILGFLSTGDQAAKGNYGLLDQIQALRWIEENVGAFGGDPKRVTIFGSGAGASCVSLLTLSHYSEGLFQKAIIQSGTALSSWAVNYQPAKYTRILADKVGCNMLDTTDMVECLRNKNYKELIQQTITPATYHIAFGPVIDGDVIPDDPQILMEQGEFLNYDIMLGVNQGEGLKFVDGIVDNEDGVTPNDFDFSVSNFVDNLYGYPEGKDTLRETIKFMYTDWADKENPETRRKTLVALFTDHQWVAPAVATADLHAQYGSPTYFYAFYHHCQSEMKPSWADSAHGDEVPYVFGIPMIGPTELFSCNFSKNDVMLSAVVMTYWTNFAKTGDPNQPVPQDTKFIHTKPNRFEEVAWSKYNPKDQLYLHIGLKPRVRDHYRATKVAFWLELVPHLHNLNEIFQYVSTTTKVPPPDMTSFPYGTRRSPAKIWPTTKRPAITPANNPKHSKDPHKTGPEDTTVLIETKRDYSTELSVTIAVGASLLFLNILAFAALYYKKDKRRHETHRRPSPQRNTTNDIAHIQNEEIMSLQMKQLEHDHECESLQAHDTLRLTCPPDYTLTLRRSPDDIPLMTPNTITMIPNTLTGMQPLHTFNTFSGGQNSTNLPHGHSTTRV 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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:14)
[INFO] FoldX: Starting FoldX energy minimization (00:00:14)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:28:02)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d8a63c6a699285/tmp/folded.pdb (00:28:02)
[INFO] Main: Simulation completed successfully. (00:44:41)
|
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 | 0.5600 | |
| 2 | S | A | -0.7942 | |
| 3 | R | A | -2.1217 | |
| 4 | P | A | -1.8660 | |
| 5 | Q | A | -1.6071 | |
| 6 | G | A | 0.0586 | |
| 7 | L | A | 2.0583 | |
| 8 | L | A | 3.1071 | |
| 9 | W | A | 3.0005 | |
| 10 | L | A | 2.6406 | |
| 11 | P | A | 2.0402 | |
| 12 | L | A | 2.9804 | |
| 13 | L | A | 3.1833 | |
| 14 | F | A | 3.1518 | |
| 15 | T | A | 1.9004 | |
| 16 | P | A | 1.7177 | |
| 17 | V | A | 3.1406 | |
| 18 | C | A | 2.8109 | |
| 19 | V | A | 3.4153 | |
| 20 | M | A | 2.7316 | |
| 21 | L | A | 2.4027 | |
| 22 | N | A | 0.6829 | |
| 23 | S | A | 0.5863 | |
| 24 | N | A | 0.4532 | |
| 25 | V | A | 2.3406 | |
| 26 | L | A | 3.0237 | |
| 27 | L | A | 2.7974 | |
| 28 | W | A | 2.9827 | |
| 29 | L | A | 2.7234 | |
| 30 | T | A | 2.2208 | |
| 31 | A | A | 2.0527 | |
| 32 | L | A | 2.0610 | |
| 33 | A | A | 2.1719 | |
| 34 | I | A | 2.3517 | |
| 35 | K | A | 1.4268 | |
| 36 | F | A | 2.4334 | |
| 37 | T | A | 1.5803 | |
| 38 | L | A | 2.1267 | |
| 39 | I | A | 1.9903 | |
| 40 | D | A | -0.3311 | |
| 41 | S | A | -0.2432 | |
| 42 | Q | A | -0.2878 | |
| 43 | A | A | -0.5006 | |
| 44 | Q | A | -0.8014 | |
| 45 | Y | A | -0.2107 | |
| 46 | P | A | 0.0000 | |
| 47 | V | A | -0.1115 | |
| 48 | V | A | -0.3996 | |
| 49 | N | A | -1.6420 | |
| 50 | T | A | 0.0000 | |
| 51 | N | A | -2.0050 | |
| 52 | Y | A | -1.0190 | |
| 53 | G | A | -1.1405 | |
| 54 | K | A | -1.5845 | |
| 55 | I | A | 0.0000 | |
| 56 | R | A | -0.9004 | |
| 57 | G | A | 0.0000 | |
| 58 | L | A | -0.4304 | |
| 59 | R | A | -0.6604 | |
| 60 | T | A | -0.4119 | |
| 61 | P | A | -0.6469 | |
| 62 | L | A | -0.2208 | |
| 63 | P | A | -0.3317 | |
| 64 | N | A | -0.4919 | |
| 65 | E | A | -1.3717 | |
| 66 | I | A | 0.6268 | |
| 67 | L | A | -0.1492 | |
| 68 | G | A | -0.6805 | |
| 69 | P | A | -0.7859 | |
| 70 | V | A | 0.0000 | |
| 71 | E | A | -0.3971 | |
| 72 | Q | A | 0.0000 | |
| 73 | Y | A | 0.0000 | |
| 74 | L | A | 0.0000 | |
| 75 | G | A | 0.0000 | |
| 76 | V | A | 0.0000 | |
| 77 | P | A | -0.1007 | |
| 78 | Y | A | 0.0000 | |
| 79 | A | A | 0.0000 | |
| 80 | S | A | 0.0000 | |
| 81 | P | A | -0.7592 | |
| 82 | P | A | 0.0000 | |
| 83 | T | A | -1.1338 | |
| 84 | G | A | -2.0160 | |
| 85 | E | A | -2.6825 | |
| 86 | R | A | -1.9247 | |
| 87 | R | A | 0.0000 | |
| 88 | F | A | 0.0000 | |
| 89 | Q | A | -1.5135 | |
| 90 | P | A | -0.9785 | |
| 91 | P | A | -1.0072 | |
| 92 | E | A | -1.5829 | |
| 93 | P | A | -1.0658 | |
| 94 | P | A | 0.0000 | |
| 95 | S | A | -0.4736 | |
| 96 | S | A | -0.5532 | |
| 97 | W | A | -0.2616 | |
| 98 | T | A | -0.2067 | |
| 99 | G | A | -0.3524 | |
| 100 | I | A | -0.0847 | |
| 101 | R | A | -0.9219 | |
| 102 | N | A | -1.5883 | |
| 103 | T | A | 0.0000 | |
| 104 | T | A | -0.8239 | |
| 105 | Q | A | -0.8578 | |
| 106 | F | A | 0.3425 | |
| 107 | A | A | -0.2211 | |
| 108 | A | A | -1.0648 | |
| 109 | V | A | 0.0000 | |
| 110 | C | A | 0.0000 | |
| 111 | P | A | 0.0000 | |
| 112 | Q | A | 0.0000 | |
| 113 | H | A | -1.5620 | |
| 114 | L | A | -1.1193 | |
| 115 | D | A | -2.1144 | |
| 116 | E | A | -3.0263 | |
| 117 | R | A | -2.9238 | |
| 118 | S | A | -1.6533 | |
| 119 | L | A | -0.8877 | |
| 120 | L | A | 0.0000 | |
| 121 | H | A | -1.4974 | |
| 122 | D | A | -2.1026 | |
| 123 | M | A | -0.5934 | |
| 124 | L | A | 0.0000 | |
| 125 | P | A | 0.0000 | |
| 126 | I | A | 0.0468 | |
| 127 | W | A | 0.0000 | |
| 128 | F | A | 0.0000 | |
| 129 | T | A | -0.4976 | |
| 130 | A | A | 0.0422 | |
| 131 | N | A | 0.0000 | |
| 132 | L | A | -0.5906 | |
| 133 | D | A | -1.6682 | |
| 134 | T | A | -1.0385 | |
| 135 | L | A | 0.0000 | |
| 136 | M | A | -0.6035 | |
| 137 | T | A | -0.6730 | |
| 138 | Y | A | -0.3832 | |
| 139 | V | A | 0.0000 | |
| 140 | Q | A | -2.0102 | |
| 141 | D | A | -2.4354 | |
| 142 | Q | A | -1.9984 | |
| 143 | N | A | -1.7252 | |
| 144 | E | A | 0.0000 | |
| 145 | D | A | -0.8857 | |
| 146 | C | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | Y | A | 0.2109 | |
| 149 | L | A | 0.0000 | |
| 150 | N | A | 0.0000 | |
| 151 | I | A | 0.0000 | |
| 152 | Y | A | 0.0000 | |
| 153 | V | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | T | A | -1.6837 | |
| 156 | E | A | -2.8123 | |
| 157 | D | A | -3.5491 | |
| 158 | D | A | -2.5799 | |
| 159 | I | A | -0.1880 | |
| 160 | H | A | -1.4014 | |
| 161 | D | A | -2.5065 | |
| 162 | Q | A | -3.1368 | |
| 163 | N | A | -3.0229 | |
| 164 | S | A | -2.4127 | |
| 165 | K | A | -2.5849 | |
| 166 | K | A | -1.7111 | |
| 167 | P | A | 0.0000 | |
| 168 | V | A | 0.0000 | |
| 169 | M | A | 0.0000 | |
| 170 | V | A | 0.0000 | |
| 171 | Y | A | 0.0000 | |
| 172 | I | A | 0.0000 | |
| 173 | H | A | 0.0000 | |
| 174 | G | A | -0.0233 | |
| 175 | G | A | 0.0000 | |
| 176 | S | A | 0.0000 | |
| 177 | Y | A | 0.0000 | |
| 178 | M | A | 0.0904 | |
| 179 | E | A | 0.0000 | |
| 180 | G | A | 0.0000 | |
| 181 | T | A | 0.0000 | |
| 182 | G | A | 0.0000 | |
| 183 | N | A | 0.0000 | |
| 184 | M | A | 0.0000 | |
| 185 | I | A | 0.0000 | |
| 186 | D | A | -1.5627 | |
| 187 | G | A | 0.0000 | |
| 188 | S | A | 0.0000 | |
| 189 | I | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | A | A | 0.0000 | |
| 192 | S | A | -0.2126 | |
| 193 | Y | A | 0.3208 | |
| 194 | G | A | 0.0000 | |
| 195 | N | A | -1.0314 | |
| 196 | V | A | 0.0000 | |
| 197 | I | A | 0.0000 | |
| 198 | V | A | 0.0000 | |
| 199 | I | A | 0.0000 | |
| 200 | T | A | 0.0000 | |
| 201 | I | A | 0.0000 | |
| 202 | N | A | 0.0000 | |
| 203 | Y | A | 0.0000 | |
| 204 | R | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | G | A | 0.0000 | |
| 207 | I | A | 0.0000 | |
| 208 | L | A | 0.0000 | |
| 209 | G | A | 0.0000 | |
| 210 | F | A | 0.0000 | |
| 211 | L | A | 0.0000 | |
| 212 | S | A | 0.0000 | |
| 213 | T | A | 0.0000 | |
| 214 | G | A | -1.4450 | |
| 215 | D | A | -2.0062 | |
| 216 | Q | A | -2.0074 | |
| 217 | A | A | -1.7790 | |
| 218 | A | A | 0.0000 | |
| 219 | K | A | -1.6287 | |
| 220 | G | A | 0.0000 | |
| 221 | N | A | 0.0000 | |
| 222 | Y | A | 0.0000 | |
| 223 | G | A | 0.0000 | |
| 224 | L | A | 0.0000 | |
| 225 | L | A | -0.0227 | |
| 226 | D | A | 0.0000 | |
| 227 | Q | A | 0.0000 | |
| 228 | I | A | 0.0000 | |
| 229 | Q | A | 0.0000 | |
| 230 | A | A | 0.0000 | |
| 231 | L | A | 0.0000 | |
| 232 | R | A | -2.0020 | |
| 233 | W | A | 0.0000 | |
| 234 | I | A | 0.0000 | |
| 235 | E | A | -2.7720 | |
| 236 | E | A | -2.8964 | |
| 237 | N | A | 0.0000 | |
| 238 | V | A | 0.0000 | |
| 239 | G | A | -1.2270 | |
| 240 | A | A | -0.8758 | |
| 241 | F | A | 0.0000 | |
| 242 | G | A | -1.1923 | |
| 243 | G | A | 0.0000 | |
| 244 | D | A | -1.6808 | |
| 245 | P | A | -2.2473 | |
| 246 | K | A | -2.4840 | |
| 247 | R | A | -1.8187 | |
| 248 | V | A | 0.0000 | |
| 249 | T | A | 0.0000 | |
| 250 | I | A | 0.0000 | |
| 251 | F | A | 0.0000 | |
| 252 | G | A | 0.0000 | |
| 253 | S | A | 0.0000 | |
| 254 | G | A | 0.0000 | |
| 255 | A | A | 0.0034 | |
| 256 | G | A | 0.0000 | |
| 257 | A | A | 0.0000 | |
| 258 | S | A | 0.0000 | |
| 259 | C | A | 0.0000 | |
| 260 | V | A | 0.0000 | |
| 261 | S | A | 0.0000 | |
| 262 | L | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | T | A | 0.0000 | |
| 265 | L | A | 0.0000 | |
| 266 | S | A | 0.0000 | |
| 267 | H | A | -1.6924 | |
| 268 | Y | A | -0.5585 | |
| 269 | S | A | 0.0000 | |
| 270 | E | A | -2.5040 | |
| 271 | G | A | -2.0421 | |
| 272 | L | A | -1.6874 | |
| 273 | F | A | 0.0000 | |
| 274 | Q | A | -1.4206 | |
| 275 | K | A | 0.0000 | |
| 276 | A | A | 0.0000 | |
| 277 | I | A | 0.0000 | |
| 278 | I | A | 0.0000 | |
| 279 | Q | A | 0.0000 | |
| 280 | S | A | 0.0000 | |
| 281 | G | A | -0.0135 | |
| 282 | T | A | 0.0000 | |
| 283 | A | A | 0.0000 | |
| 284 | L | A | 0.0158 | |
| 285 | S | A | 0.0000 | |
| 286 | S | A | 0.1775 | |
| 287 | W | A | 0.0000 | |
| 288 | A | A | 0.0000 | |
| 289 | V | A | 0.0000 | |
| 290 | N | A | 0.0000 | |
| 291 | Y | A | 0.6608 | |
| 292 | Q | A | -0.9355 | |
| 293 | P | A | -0.8375 | |
| 294 | A | A | -0.9812 | |
| 295 | K | A | -1.2695 | |
| 296 | Y | A | 0.0000 | |
| 297 | T | A | 0.0000 | |
| 298 | R | A | -0.9898 | |
| 299 | I | A | -0.5801 | |
| 300 | L | A | 0.0000 | |
| 301 | A | A | 0.0000 | |
| 302 | D | A | -2.1138 | |
| 303 | K | A | -2.3260 | |
| 304 | V | A | -1.5729 | |
| 305 | G | A | -1.5175 | |
| 306 | C | A | 0.0000 | |
| 307 | N | A | -1.8501 | |
| 308 | M | A | -0.8777 | |
| 309 | L | A | 0.1650 | |
| 310 | D | A | -1.6847 | |
| 311 | T | A | -1.7142 | |
| 312 | T | A | -1.7674 | |
| 313 | D | A | -2.5101 | |
| 314 | M | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | E | A | -2.2695 | |
| 317 | C | A | -1.5892 | |
| 318 | L | A | 0.0000 | |
| 319 | R | A | -2.2414 | |
| 320 | N | A | -2.3039 | |
| 321 | K | A | -2.1355 | |
| 322 | N | A | -2.2441 | |
| 323 | Y | A | -1.7984 | |
| 324 | K | A | -2.6297 | |
| 325 | E | A | -2.6223 | |
| 326 | L | A | 0.0000 | |
| 327 | I | A | -1.4189 | |
| 328 | Q | A | -2.1234 | |
| 329 | Q | A | -1.4641 | |
| 330 | T | A | -0.8436 | |
| 331 | I | A | -0.0679 | |
| 332 | T | A | -0.0994 | |
| 333 | P | A | -0.2333 | |
| 334 | A | A | -0.0459 | |
| 335 | T | A | -0.2055 | |
| 336 | Y | A | -0.0813 | |
| 337 | H | A | -0.1240 | |
| 338 | I | A | 0.0000 | |
| 339 | A | A | 0.0000 | |
| 340 | F | A | 0.0000 | |
| 341 | G | A | 0.0000 | |
| 342 | P | A | 0.0000 | |
| 343 | V | A | 0.0000 | |
| 344 | I | A | -0.0085 | |
| 345 | D | A | -1.2032 | |
| 346 | G | A | -1.1766 | |
| 347 | D | A | -1.0766 | |
| 348 | V | A | 0.0000 | |
| 349 | I | A | 0.0000 | |
| 350 | P | A | -1.0905 | |
| 351 | D | A | -1.3791 | |
| 352 | D | A | -0.7488 | |
| 353 | P | A | 0.0000 | |
| 354 | Q | A | -1.0744 | |
| 355 | I | A | -0.5242 | |
| 356 | L | A | 0.0000 | |
| 357 | M | A | 0.0000 | |
| 358 | E | A | -2.2693 | |
| 359 | Q | A | -2.1406 | |
| 360 | G | A | -1.8427 | |
| 361 | E | A | -2.7398 | |
| 362 | F | A | 0.0000 | |
| 363 | L | A | -0.9641 | |
| 364 | N | A | -1.8820 | |
| 365 | Y | A | 0.0000 | |
| 366 | D | A | -0.6957 | |
| 367 | I | A | 0.0000 | |
| 368 | M | A | 0.0000 | |
| 369 | L | A | 0.0000 | |
| 370 | G | A | 0.0000 | |
| 371 | V | A | 0.0000 | |
| 372 | N | A | 0.0000 | |
| 373 | Q | A | -0.3665 | |
| 374 | G | A | 0.0000 | |
| 375 | E | A | 0.0000 | |
| 376 | G | A | 0.0000 | |
| 377 | L | A | 0.0000 | |
| 378 | K | A | -1.4031 | |
| 379 | F | A | -0.7125 | |
| 380 | V | A | 0.0000 | |
| 381 | D | A | -2.1216 | |
| 382 | G | A | -1.1088 | |
| 383 | I | A | -0.4927 | |
| 384 | V | A | -1.3074 | |
| 385 | D | A | -2.3593 | |
| 386 | N | A | -2.6174 | |
| 387 | E | A | -3.1718 | |
| 388 | D | A | -2.4847 | |
| 389 | G | A | 0.0000 | |
| 390 | V | A | 0.0000 | |
| 391 | T | A | -0.9968 | |
| 392 | P | A | -1.3336 | |
| 393 | N | A | -1.0979 | |
| 394 | D | A | -0.3601 | |
| 395 | F | A | 0.0000 | |
| 396 | D | A | -0.7519 | |
| 397 | F | A | 0.7554 | |
| 398 | S | A | -0.0224 | |
| 399 | V | A | 0.0000 | |
| 400 | S | A | -0.8674 | |
| 401 | N | A | -1.1645 | |
| 402 | F | A | 0.0000 | |
| 403 | V | A | 0.0000 | |
| 404 | D | A | -0.8243 | |
| 405 | N | A | -0.6914 | |
| 406 | L | A | -0.0818 | |
| 407 | Y | A | 0.0454 | |
| 408 | G | A | -0.0404 | |
| 409 | Y | A | 0.4187 | |
| 410 | P | A | -1.1684 | |
| 411 | E | A | -2.2353 | |
| 412 | G | A | -1.6451 | |
| 413 | K | A | 0.0000 | |
| 414 | D | A | -2.4876 | |
| 415 | T | A | -1.7193 | |
| 416 | L | A | 0.0000 | |
| 417 | R | A | -1.5807 | |
| 418 | E | A | -1.3069 | |
| 419 | T | A | -0.0681 | |
| 420 | I | A | 0.0000 | |
| 421 | K | A | 0.1587 | |
| 422 | F | A | 1.7698 | |
| 423 | M | A | 1.1017 | |
| 424 | Y | A | 0.0000 | |
| 425 | T | A | 0.0391 | |
| 426 | D | A | -0.6596 | |
| 427 | W | A | 0.1485 | |
| 428 | A | A | -0.7024 | |
| 429 | D | A | -2.2169 | |
| 430 | K | A | -2.6405 | |
| 431 | E | A | -3.0591 | |
| 432 | N | A | -2.3919 | |
| 433 | P | A | -2.3164 | |
| 434 | E | A | -2.4542 | |
| 435 | T | A | -1.7950 | |
| 436 | R | A | -1.7637 | |
| 437 | R | A | 0.0000 | |
| 438 | K | A | -1.0175 | |
| 439 | T | A | -0.4423 | |
| 440 | L | A | 0.0000 | |
| 441 | V | A | -0.1625 | |
| 442 | A | A | -0.1354 | |
| 443 | L | A | 0.0000 | |
| 444 | F | A | 0.0000 | |
| 445 | T | A | 0.0000 | |
| 446 | D | A | 0.0000 | |
| 447 | H | A | -0.1056 | |
| 448 | Q | A | 0.0000 | |
| 449 | W | A | 0.0000 | |
| 450 | V | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | P | A | 0.0000 | |
| 453 | A | A | 0.0000 | |
| 454 | V | A | 0.0000 | |
| 455 | A | A | 0.0085 | |
| 456 | T | A | 0.0000 | |
| 457 | A | A | 0.0000 | |
| 458 | D | A | -0.7608 | |
| 459 | L | A | -0.7611 | |
| 460 | H | A | 0.0000 | |
| 461 | A | A | 0.0000 | |
| 462 | Q | A | -1.2126 | |
| 463 | Y | A | 0.4441 | |
| 464 | G | A | -0.2526 | |
| 465 | S | A | -0.5490 | |
| 466 | P | A | -0.8198 | |
| 467 | T | A | 0.0000 | |
| 468 | Y | A | 0.0000 | |
| 469 | F | A | 0.0000 | |
| 470 | Y | A | 0.0000 | |
| 471 | A | A | 0.0000 | |
| 472 | F | A | 0.0000 | |
| 473 | Y | A | -0.2090 | |
| 474 | H | A | -0.5666 | |
| 475 | H | A | -0.6715 | |
| 476 | C | A | 0.0000 | |
| 477 | Q | A | -2.0498 | |
| 478 | S | A | -1.6732 | |
| 479 | E | A | -2.0549 | |
| 480 | M | A | -0.4880 | |
| 481 | K | A | 0.0000 | |
| 482 | P | A | -0.6260 | |
| 483 | S | A | -0.6802 | |
| 484 | W | A | -0.4054 | |
| 485 | A | A | 0.0000 | |
| 486 | D | A | -0.6656 | |
| 487 | S | A | 0.0000 | |
| 488 | A | A | 0.0000 | |
| 489 | H | A | 0.0000 | |
| 490 | G | A | 0.0000 | |
| 491 | D | A | 0.0000 | |
| 492 | E | A | 0.0000 | |
| 493 | V | A | 0.0000 | |
| 494 | P | A | 0.0000 | |
| 495 | Y | A | 0.0000 | |
| 496 | V | A | 0.0000 | |
| 497 | F | A | 0.0000 | |
| 498 | G | A | 0.0000 | |
| 499 | I | A | 0.0000 | |
| 500 | P | A | 0.0000 | |
| 501 | M | A | 0.0000 | |
| 502 | I | A | 0.9563 | |
| 503 | G | A | 0.1163 | |
| 504 | P | A | -0.7648 | |
| 505 | T | A | -1.0304 | |
| 506 | E | A | -2.1111 | |
| 507 | L | A | 0.0000 | |
| 508 | F | A | 0.0000 | |
| 509 | S | A | -1.3373 | |
| 510 | C | A | 0.0000 | |
| 511 | N | A | -1.9279 | |
| 512 | F | A | -1.1015 | |
| 513 | S | A | -1.3868 | |
| 514 | K | A | -2.1190 | |
| 515 | N | A | -1.4323 | |
| 516 | D | A | 0.0000 | |
| 517 | V | A | 0.0000 | |
| 518 | M | A | 0.0000 | |
| 519 | L | A | 0.0000 | |
| 520 | S | A | 0.0000 | |
| 521 | A | A | 0.0000 | |
| 522 | V | A | 0.0000 | |
| 523 | V | A | 0.0000 | |
| 524 | M | A | 0.0000 | |
| 525 | T | A | 0.0000 | |
| 526 | Y | A | 0.0000 | |
| 527 | W | A | 0.0000 | |
| 528 | T | A | 0.0000 | |
| 529 | N | A | 0.0000 | |
| 530 | F | A | 0.0000 | |
| 531 | A | A | 0.0000 | |
| 532 | K | A | -0.6449 | |
| 533 | T | A | -0.8220 | |
| 534 | G | A | 0.0000 | |
| 535 | D | A | -1.3280 | |
| 536 | P | A | 0.0000 | |
| 537 | N | A | -0.9195 | |
| 538 | Q | A | -1.4338 | |
| 539 | P | A | -0.7603 | |
| 540 | V | A | 0.0476 | |
| 541 | P | A | -1.1219 | |
| 542 | Q | A | 0.0000 | |
| 543 | D | A | -2.4916 | |
| 544 | T | A | -1.8484 | |
| 545 | K | A | -1.3563 | |
| 546 | F | A | 0.9462 | |
| 547 | I | A | 0.0000 | |
| 548 | H | A | 0.0000 | |
| 549 | T | A | -0.8177 | |
| 550 | K | A | -1.6634 | |
| 551 | P | A | -1.6878 | |
| 552 | N | A | 0.0000 | |
| 553 | R | A | -2.4513 | |
| 554 | F | A | 0.0000 | |
| 555 | E | A | -3.3974 | |
| 556 | E | A | -2.9937 | |
| 557 | V | A | -1.4469 | |
| 558 | A | A | -0.8450 | |
| 559 | W | A | 0.0000 | |
| 560 | S | A | -0.7794 | |
| 561 | K | A | -1.5589 | |
| 562 | Y | A | 0.0000 | |
| 563 | N | A | -1.7113 | |
| 564 | P | A | -1.7301 | |
| 565 | K | A | -2.6432 | |
| 566 | D | A | -2.4240 | |
| 567 | Q | A | -2.1378 | |
| 568 | L | A | -1.6116 | |
| 569 | Y | A | 0.0000 | |
| 570 | L | A | 0.0000 | |
| 571 | H | A | 0.0000 | |
| 572 | I | A | 0.0000 | |
| 573 | G | A | 0.0000 | |
| 574 | L | A | -0.7577 | |
| 575 | K | A | -1.7946 | |
| 576 | P | A | -1.4765 | |
| 577 | R | A | -1.0117 | |
| 578 | V | A | -0.4383 | |
| 579 | R | A | -1.7813 | |
| 580 | D | A | -2.6066 | |
| 581 | H | A | -2.0194 | |
| 582 | Y | A | 0.0000 | |
| 583 | R | A | -0.8635 | |
| 584 | A | A | -0.7164 | |
| 585 | T | A | -0.4325 | |
| 586 | K | A | -0.2950 | |
| 587 | V | A | 0.0000 | |
| 588 | A | A | -0.3387 | |
| 589 | F | A | 0.0000 | |
| 590 | W | A | 0.0000 | |
| 591 | L | A | -0.1993 | |
| 592 | E | A | -1.3923 | |
| 593 | L | A | -0.4868 | |
| 594 | V | A | 0.0000 | |
| 595 | P | A | -1.0178 | |
| 596 | H | A | -1.3306 | |
| 597 | L | A | -0.8255 | |
| 598 | H | A | -1.4857 | |
| 599 | N | A | -1.4047 | |
| 600 | L | A | -0.4947 | |
| 601 | N | A | -1.0003 | |
| 602 | E | A | -1.2254 | |
| 603 | I | A | 1.3945 | |
| 604 | F | A | 1.7595 | |
| 605 | Q | A | 0.1216 | |
| 606 | Y | A | 1.6838 | |
| 607 | V | A | 1.8149 | |
| 608 | S | A | 0.6464 | |
| 609 | T | A | 0.0620 | |
| 610 | T | A | -0.0597 | |
| 611 | T | A | -0.3621 | |
| 612 | K | A | -1.0380 | |
| 613 | V | A | 0.7042 | |
| 614 | P | A | -0.2937 | |
| 615 | P | A | -0.5782 | |
| 616 | P | A | -0.8626 | |
| 617 | D | A | -1.5320 | |
| 618 | M | A | 0.2179 | |
| 619 | T | A | 0.2509 | |
| 620 | S | A | 0.6839 | |
| 621 | F | A | 2.0694 | |
| 622 | P | A | 1.3205 | |
| 623 | Y | A | 1.3650 | |
| 624 | G | A | -0.3093 | |
| 625 | T | A | -1.3674 | |
| 626 | R | A | -2.8938 | |
| 627 | R | A | -2.9026 | |
| 628 | S | A | -1.7229 | |
| 629 | P | A | -1.0434 | |
| 630 | A | A | -0.4318 | |
| 631 | K | A | -0.3804 | |
| 632 | I | A | 1.6368 | |
| 633 | W | A | 1.6324 | |
| 634 | P | A | 0.6962 | |
| 635 | T | A | -0.3782 | |
| 636 | T | A | -1.3042 | |
| 637 | K | A | -2.7059 | |
| 638 | R | A | -2.8028 | |
| 639 | P | A | -1.0841 | |
| 640 | A | A | 0.5422 | |
| 641 | I | A | 1.9058 | |
| 642 | T | A | 0.7774 | |
| 643 | P | A | -0.1273 | |
| 644 | A | A | -0.9608 | |
| 645 | N | A | -2.0547 | |
| 646 | N | A | -2.3940 | |
| 647 | P | A | -2.1333 | |
| 648 | K | A | -2.5673 | |
| 649 | H | A | -2.3369 | |
| 650 | S | A | -2.4305 | |
| 651 | K | A | -3.0317 | |
| 652 | D | A | -3.0469 | |
| 653 | P | A | -2.3060 | |
| 654 | H | A | -2.4194 | |
| 655 | K | A | -2.4362 | |
| 656 | T | A | -1.3899 | |
| 657 | G | A | -1.3485 | |
| 658 | P | A | -1.7930 | |
| 659 | E | A | -2.9133 | |
| 660 | D | A | -2.5812 | |
| 661 | T | A | -0.7435 | |
| 662 | T | A | 1.0144 | |
| 663 | V | A | 2.5726 | |
| 664 | L | A | 2.8351 | |
| 665 | I | A | 2.1008 | |
| 666 | E | A | -1.2422 | |
| 667 | T | A | -1.5843 | |
| 668 | K | A | -3.0549 | |
| 669 | R | A | -3.7750 | |
| 670 | D | A | -3.0787 | |
| 671 | Y | A | -0.9696 | |
| 672 | S | A | -1.0040 | |
| 673 | T | A | -0.7108 | |
| 674 | E | A | -0.9083 | |
| 675 | L | A | 1.0356 | |
| 676 | S | A | 1.4126 | |
| 677 | V | A | 2.2449 | |
| 678 | T | A | 1.9058 | |
| 679 | I | A | 2.9056 | |
| 680 | A | A | 2.4432 | |
| 681 | V | A | 3.2431 | |
| 682 | G | A | 2.5344 | |
| 683 | A | A | 2.6076 | |
| 684 | S | A | 2.8360 | |
| 685 | L | A | 3.6245 | |
| 686 | L | A | 3.9264 | |
| 687 | F | A | 4.6603 | |
| 688 | L | A | 4.0314 | |
| 689 | N | A | 2.9754 | |
| 690 | I | A | 4.2618 | |
| 691 | L | A | 3.7401 | |
| 692 | A | A | 3.0155 | |
| 693 | F | A | 3.5823 | |
| 694 | A | A | 2.4911 | |
| 695 | A | A | 1.5692 | |
| 696 | L | A | 1.8216 | |
| 697 | Y | A | 1.2374 | |
| 698 | Y | A | -0.0510 | |
| 699 | K | A | -2.2370 | |
| 700 | K | A | -3.1253 | |
| 701 | D | A | -4.1744 | |
| 702 | K | A | -4.9960 | |
| 703 | R | A | -5.4990 | |
| 704 | R | A | -5.5105 | |
| 705 | H | A | -5.0861 | |
| 706 | E | A | -5.2998 | |
| 707 | T | A | -4.2089 | |
| 708 | H | A | -3.9610 | |
| 709 | R | A | -4.2502 | |
| 710 | R | A | -3.5066 | |
| 711 | P | A | -2.0116 | |
| 712 | S | A | -1.6132 | |
| 713 | P | A | -1.7223 | |
| 714 | Q | A | -2.5940 | |
| 715 | R | A | -3.1367 | |
| 716 | N | A | -2.5250 | |
| 717 | T | A | -1.4039 | |
| 718 | T | A | -1.3480 | |
| 719 | N | A | -1.7527 | |
| 720 | D | A | -1.3209 | |
| 721 | I | A | 0.5824 | |
| 722 | A | A | 0.5087 | |
| 723 | H | A | 0.1842 | |
| 724 | I | A | 0.6478 | |
| 725 | Q | A | -1.2763 | |
| 726 | N | A | -2.6828 | |
| 727 | E | A | -3.1711 | |
| 728 | E | A | -1.6966 | |
| 729 | I | A | 1.2078 | |
| 730 | M | A | 1.8840 | |
| 731 | S | A | 1.2049 | |
| 732 | L | A | 1.2861 | |
| 733 | Q | A | -0.3727 | |
| 734 | M | A | -0.4003 | |
| 735 | K | A | -1.7517 | |
| 736 | Q | A | -1.5492 | |
| 737 | L | A | -0.5937 | |
| 738 | E | A | -2.0368 | |
| 739 | H | A | -2.6483 | |
| 740 | D | A | -3.4797 | |
| 741 | H | A | -2.8047 | |
| 742 | E | A | -2.6460 | |
| 743 | C | A | -1.3147 | |
| 744 | E | A | -1.6188 | |
| 745 | S | A | -0.5102 | |
| 746 | L | A | 0.4963 | |
| 747 | Q | A | -0.6499 | |
| 748 | A | A | -1.2070 | |
| 749 | H | A | -2.1067 | |
| 750 | D | A | -1.9873 | |
| 751 | T | A | -0.7380 | |
| 752 | L | A | 0.5212 | |
| 753 | R | A | -0.3162 | |
| 754 | L | A | 1.1066 | |
| 755 | T | A | 0.5314 | |
| 756 | C | A | 0.6417 | |
| 757 | P | A | -0.1232 | |
| 758 | P | A | -0.7726 | |
| 759 | D | A | -1.0594 | |
| 760 | Y | A | 0.7489 | |
| 761 | T | A | 0.8964 | |
| 762 | L | A | 1.7357 | |
| 763 | T | A | 0.8074 | |
| 764 | L | A | 0.4354 | |
| 765 | R | A | -1.8521 | |
| 766 | R | A | -2.4463 | |
| 767 | S | A | -1.6067 | |
| 768 | P | A | -0.8247 | |
| 769 | D | A | -0.6872 | |
| 770 | D | A | -0.8436 | |
| 771 | I | A | 0.5892 | |
| 772 | P | A | 0.7367 | |
| 773 | L | A | 1.5247 | |
| 774 | M | A | 1.4365 | |
| 775 | T | A | 0.2170 | |
| 776 | P | A | -0.2458 | |
| 777 | N | A | -0.8025 | |
| 778 | T | A | 0.3271 | |
| 779 | I | A | 2.1119 | |
| 780 | T | A | 1.7283 | |
| 781 | M | A | 2.3429 | |
| 782 | I | A | 2.2941 | |
| 783 | P | A | 0.3260 | |
| 784 | N | A | -0.4535 | |
| 785 | T | A | 0.2047 | |
| 786 | L | A | 1.0982 | |
| 787 | T | A | 0.6597 | |
| 788 | G | A | 0.0417 | |
| 789 | M | A | 0.1114 | |
| 790 | Q | A | -0.5545 | |
| 791 | P | A | -0.0575 | |
| 792 | L | A | 0.7134 | |
| 793 | H | A | 0.0215 | |
| 794 | T | A | 0.3753 | |
| 795 | F | A | 0.9937 | |
| 796 | N | A | 0.1267 | |
| 797 | T | A | 0.6572 | |
| 798 | F | A | 1.4796 | |
| 799 | S | A | 0.3078 | |
| 800 | G | A | -0.6740 | |
| 801 | G | A | -1.5541 | |
| 802 | Q | A | -2.1597 | |
| 803 | N | A | -2.0594 | |
| 804 | S | A | -1.4321 | |
| 805 | T | A | -0.7199 | |
| 806 | N | A | -0.5493 | |
| 807 | L | A | 0.5359 | |
| 808 | P | A | -0.3655 | |
| 809 | H | A | -1.3124 | |
| 810 | G | A | -1.6092 | |
| 811 | H | A | -1.5571 | |
| 812 | S | A | -0.9068 | |
| 813 | T | A | -0.8032 | |
| 814 | T | A | -0.6302 | |
| 815 | R | A | -0.8388 | |
| 816 | V | A | 0.6623 |
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 | 0.0217 | 8.0085 | View | CSV | PDB |
| 4.5 | -0.0416 | 8.0085 | View | CSV | PDB |
| 5.0 | -0.1182 | 8.0085 | View | CSV | PDB |
| 5.5 | -0.1945 | 8.0085 | View | CSV | PDB |
| 6.0 | -0.2572 | 8.0085 | View | CSV | PDB |
| 6.5 | -0.2994 | 8.0085 | View | CSV | PDB |
| 7.0 | -0.322 | 8.0085 | View | CSV | PDB |
| 7.5 | -0.3313 | 8.0085 | View | CSV | PDB |
| 8.0 | -0.3324 | 8.0085 | View | CSV | PDB |
| 8.5 | -0.3257 | 8.0085 | View | CSV | PDB |
| 9.0 | -0.3092 | 8.0085 | 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