| Chain sequence(s) | MLSGVWFLSVFTVAGILQIESRKTAKDICKIRCLCEEKENVLNINCENKGFTTVSLLQPPQYRIYQLFLNGNLLTRLYPNEFVNYSNAVTLHLGNNGLQEIRPGAFSGLKTLKRLHLNNNKLEVLREDTFLGLESLEYLQADYNYISTIEAGAFSKLNKLKVLILNDNLLLSLPSNVFRFVLLTHLDLRGNRLKVMPFAGVLEHIGGIMEIQLEENPWNCTCDLLPLKAWLDTITVFVGEIVCETPFRLHGKDVTQLTRQDLCPRKSASGDSSQRSSHSDTHVQRLSPTMNPALNPTRAPKASRPPKMRNRPTPRVTVSKDRQSFGPIMVYQTKSPVALTCPSSCVCTSQSSDNGLNVNCQERKFTNISDLQPKPTSPKKLYLTGNYLQTVYKNDLLEYTSLDLLHLGNNRIAVIQEGAFTNLTSLRRLYLNGNYLEVLYPSMFDGLQSLQYLYLEYNVIKEIKPLTFDALINLQLLFLNNNLLRSLPDNIFGGTALTRLNLRNNHFSHLPVKGVLDQLPAFIQIDLQENPWDCTCDIMGLKDWTEHANSPVIINEVTCESPAKHAGEILKFLGREAICPDNPNLSDGTVLSMNHNTDTPRSLSVSPSSYPELHTEVPLSVLILGLLVVFILSVCFGAGLFVFVLKRRKGVPSVPRSATNLDVSSFQLQYGSYNTETNDKTDGHVYNYIPPPVGQMCQNPIYMQKEGDPVAYYRNLQDFSYGNLEEKKEEPATLAYTISATELLEKQATPKEPELLYQNIAERAKELPSAGLVHYNFCTLPKRQFAPSYESRRQNQDRINKTVLYGTPRKCFVGQSKPDHPLLQAKPQSEPDYLEVLEKQTAISQL 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 (00:17:57)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ebb96f13e83fa8/tmp/folded.pdb (00:17:57)
[INFO] Main: Simulation completed successfully. (00:35:04)
|
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 | 1.8473 | |
| 2 | L | A | 2.5910 | |
| 3 | S | A | 1.9365 | |
| 4 | G | A | 2.1789 | |
| 5 | V | A | 3.2877 | |
| 6 | W | A | 3.6618 | |
| 7 | F | A | 4.2377 | |
| 8 | L | A | 4.1639 | |
| 9 | S | A | 3.2603 | |
| 10 | V | A | 3.7652 | |
| 11 | F | A | 4.2762 | |
| 12 | T | A | 3.0509 | |
| 13 | V | A | 3.6840 | |
| 14 | A | A | 2.7085 | |
| 15 | G | A | 2.0482 | |
| 16 | I | A | 2.7943 | |
| 17 | L | A | 1.7677 | |
| 18 | Q | A | -0.0309 | |
| 19 | I | A | 0.2309 | |
| 20 | E | A | -1.7164 | |
| 21 | S | A | 0.0000 | |
| 22 | R | A | -3.0007 | |
| 23 | K | A | -3.8221 | |
| 24 | T | A | -2.6721 | |
| 25 | A | A | 0.0000 | |
| 26 | K | A | -3.3004 | |
| 27 | D | A | -3.3060 | |
| 28 | I | A | 0.0000 | |
| 29 | C | A | -1.1179 | |
| 30 | K | A | -1.5987 | |
| 31 | I | A | 0.2028 | |
| 32 | R | A | -0.9774 | |
| 33 | C | A | 0.0000 | |
| 34 | L | A | 0.8937 | |
| 35 | C | A | -0.7592 | |
| 36 | E | A | -2.0191 | |
| 37 | E | A | -3.1587 | |
| 38 | K | A | 0.0000 | |
| 39 | E | A | -1.2577 | |
| 40 | N | A | -1.7304 | |
| 41 | V | A | -1.0267 | |
| 42 | L | A | 0.0000 | |
| 43 | N | A | -1.0668 | |
| 44 | I | A | 0.0000 | |
| 45 | N | A | -0.5446 | |
| 46 | C | A | 0.0000 | |
| 47 | E | A | -1.8030 | |
| 48 | N | A | -2.3522 | |
| 49 | K | A | -2.6061 | |
| 50 | G | A | -1.0280 | |
| 51 | F | A | 0.0000 | |
| 52 | T | A | 0.2116 | |
| 53 | T | A | 0.2556 | |
| 54 | V | A | 0.0000 | |
| 55 | S | A | -0.1893 | |
| 56 | L | A | 0.4477 | |
| 57 | L | A | 0.0000 | |
| 58 | Q | A | -1.1611 | |
| 59 | P | A | 0.0000 | |
| 60 | P | A | 0.0000 | |
| 61 | Q | A | -0.4239 | |
| 62 | Y | A | 0.5542 | |
| 63 | R | A | 0.0164 | |
| 64 | I | A | 0.0878 | |
| 65 | Y | A | 0.0000 | |
| 66 | Q | A | -0.3559 | |
| 67 | L | A | 0.0000 | |
| 68 | F | A | -0.0860 | |
| 69 | L | A | 0.0000 | |
| 70 | N | A | -1.2821 | |
| 71 | G | A | -1.3791 | |
| 72 | N | A | 0.0000 | |
| 73 | L | A | 0.6189 | |
| 74 | L | A | 0.0000 | |
| 75 | T | A | -0.7410 | |
| 76 | R | A | -1.4440 | |
| 77 | L | A | 0.0000 | |
| 78 | Y | A | -0.3232 | |
| 79 | P | A | -0.5139 | |
| 80 | N | A | -1.2109 | |
| 81 | E | A | -0.6592 | |
| 82 | F | A | 0.0000 | |
| 83 | V | A | -0.2037 | |
| 84 | N | A | -1.2691 | |
| 85 | Y | A | 0.0000 | |
| 86 | S | A | -0.6957 | |
| 87 | N | A | -0.4348 | |
| 88 | A | A | 0.0000 | |
| 89 | V | A | 0.0000 | |
| 90 | T | A | 0.0000 | |
| 91 | L | A | 0.0000 | |
| 92 | H | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | G | A | 0.0000 | |
| 95 | N | A | -1.7100 | |
| 96 | N | A | 0.0000 | |
| 97 | G | A | -1.0369 | |
| 98 | L | A | 0.0000 | |
| 99 | Q | A | -1.9993 | |
| 100 | E | A | -1.8407 | |
| 101 | I | A | -1.1824 | |
| 102 | R | A | -1.5396 | |
| 103 | P | A | -1.4451 | |
| 104 | G | A | 0.0000 | |
| 105 | A | A | 0.0000 | |
| 106 | F | A | 0.0000 | |
| 107 | S | A | -0.5821 | |
| 108 | G | A | -0.6944 | |
| 109 | L | A | 0.0000 | |
| 110 | K | A | -2.0667 | |
| 111 | T | A | -1.2629 | |
| 112 | L | A | 0.0000 | |
| 113 | K | A | -1.4726 | |
| 114 | R | A | -0.6075 | |
| 115 | L | A | 0.0000 | |
| 116 | H | A | 0.0000 | |
| 117 | L | A | 0.0000 | |
| 118 | N | A | -0.7892 | |
| 119 | N | A | -1.1835 | |
| 120 | N | A | 0.0000 | |
| 121 | K | A | -1.7630 | |
| 122 | L | A | 0.0000 | |
| 123 | E | A | -1.9333 | |
| 124 | V | A | -0.9130 | |
| 125 | L | A | 0.0000 | |
| 126 | R | A | -2.9318 | |
| 127 | E | A | -2.7422 | |
| 128 | D | A | -2.3898 | |
| 129 | T | A | 0.0000 | |
| 130 | F | A | 0.0000 | |
| 131 | L | A | -1.0149 | |
| 132 | G | A | -1.0481 | |
| 133 | L | A | 0.0000 | |
| 134 | E | A | -2.8074 | |
| 135 | S | A | -2.2271 | |
| 136 | L | A | 0.0000 | |
| 137 | E | A | -1.6870 | |
| 138 | Y | A | -0.7008 | |
| 139 | L | A | 0.0000 | |
| 140 | Q | A | 0.0298 | |
| 141 | A | A | 0.0000 | |
| 142 | D | A | 0.0000 | |
| 143 | Y | A | 0.5117 | |
| 144 | N | A | 0.0000 | |
| 145 | Y | A | -0.2972 | |
| 146 | I | A | 0.0000 | |
| 147 | S | A | 0.0572 | |
| 148 | T | A | -0.1849 | |
| 149 | I | A | 0.0000 | |
| 150 | E | A | -1.5263 | |
| 151 | A | A | -1.1409 | |
| 152 | G | A | -1.5153 | |
| 153 | A | A | 0.0000 | |
| 154 | F | A | 0.0000 | |
| 155 | S | A | -1.2128 | |
| 156 | K | A | -1.9273 | |
| 157 | L | A | 0.0000 | |
| 158 | N | A | -2.1609 | |
| 159 | K | A | -2.0991 | |
| 160 | L | A | 0.0000 | |
| 161 | K | A | -1.0186 | |
| 162 | V | A | -0.1963 | |
| 163 | L | A | 0.0000 | |
| 164 | I | A | 0.3078 | |
| 165 | L | A | 0.0000 | |
| 166 | N | A | -0.4725 | |
| 167 | D | A | -0.7003 | |
| 168 | N | A | 0.0000 | |
| 169 | L | A | 0.4046 | |
| 170 | L | A | 0.0000 | |
| 171 | L | A | 0.8782 | |
| 172 | S | A | 0.1814 | |
| 173 | L | A | 0.0000 | |
| 174 | P | A | -0.2507 | |
| 175 | S | A | -0.6627 | |
| 176 | N | A | -1.2541 | |
| 177 | V | A | 0.0000 | |
| 178 | F | A | 0.0000 | |
| 179 | R | A | -1.4801 | |
| 180 | F | A | 0.2100 | |
| 181 | V | A | 0.0000 | |
| 182 | L | A | 0.6223 | |
| 183 | L | A | 0.0000 | |
| 184 | T | A | 0.0232 | |
| 185 | H | A | 0.0577 | |
| 186 | L | A | 0.0000 | |
| 187 | D | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | R | A | -1.4622 | |
| 190 | G | A | -1.3960 | |
| 191 | N | A | 0.0000 | |
| 192 | R | A | -1.2331 | |
| 193 | L | A | 0.0000 | |
| 194 | K | A | -1.4793 | |
| 195 | V | A | -0.5230 | |
| 196 | M | A | 0.0000 | |
| 197 | P | A | -0.2247 | |
| 198 | F | A | 0.2454 | |
| 199 | A | A | -0.2433 | |
| 200 | G | A | 0.0000 | |
| 201 | V | A | 0.0000 | |
| 202 | L | A | 0.0000 | |
| 203 | E | A | -2.0800 | |
| 204 | H | A | -1.2991 | |
| 205 | I | A | 0.0000 | |
| 206 | G | A | -0.7416 | |
| 207 | G | A | -0.2199 | |
| 208 | I | A | 0.0000 | |
| 209 | M | A | 0.2703 | |
| 210 | E | A | 0.0000 | |
| 211 | I | A | 0.0000 | |
| 212 | Q | A | 0.0000 | |
| 213 | L | A | 0.0000 | |
| 214 | E | A | -1.1386 | |
| 215 | E | A | -2.4630 | |
| 216 | N | A | 0.0000 | |
| 217 | P | A | -1.5224 | |
| 218 | W | A | 0.0000 | |
| 219 | N | A | -0.9375 | |
| 220 | C | A | 0.0000 | |
| 221 | T | A | -0.6930 | |
| 222 | C | A | -0.6594 | |
| 223 | D | A | -1.5196 | |
| 224 | L | A | 0.0000 | |
| 225 | L | A | -0.5900 | |
| 226 | P | A | -0.1296 | |
| 227 | L | A | 0.0000 | |
| 228 | K | A | 0.0000 | |
| 229 | A | A | -0.6702 | |
| 230 | W | A | 0.0000 | |
| 231 | L | A | 0.0000 | |
| 232 | D | A | -1.7404 | |
| 233 | T | A | -0.7215 | |
| 234 | I | A | -0.0953 | |
| 235 | T | A | 0.0914 | |
| 236 | V | A | 0.6840 | |
| 237 | F | A | 0.6210 | |
| 238 | V | A | 0.4550 | |
| 239 | G | A | 0.0000 | |
| 240 | E | A | 0.0000 | |
| 241 | I | A | 0.0000 | |
| 242 | V | A | -0.5034 | |
| 243 | C | A | 0.0000 | |
| 244 | E | A | -1.6459 | |
| 245 | T | A | -0.6054 | |
| 246 | P | A | 0.0556 | |
| 247 | F | A | 0.9429 | |
| 248 | R | A | -0.4923 | |
| 249 | L | A | 0.0000 | |
| 250 | H | A | -0.4368 | |
| 251 | G | A | -0.3169 | |
| 252 | K | A | -0.7010 | |
| 253 | D | A | 0.0000 | |
| 254 | V | A | 0.0000 | |
| 255 | T | A | -0.9049 | |
| 256 | Q | A | -1.5821 | |
| 257 | L | A | 0.0000 | |
| 258 | T | A | -1.8055 | |
| 259 | R | A | -2.7380 | |
| 260 | Q | A | -2.7019 | |
| 261 | D | A | -2.1967 | |
| 262 | L | A | 0.0000 | |
| 263 | C | A | -1.8993 | |
| 264 | P | A | -2.3915 | |
| 265 | R | A | -3.3130 | |
| 266 | K | A | -2.7688 | |
| 267 | S | A | -1.7000 | |
| 268 | A | A | -1.2997 | |
| 269 | S | A | -1.2917 | |
| 270 | G | A | -1.5315 | |
| 271 | D | A | -2.4181 | |
| 272 | S | A | -1.9568 | |
| 273 | S | A | -2.0053 | |
| 274 | Q | A | -2.6280 | |
| 275 | R | A | -2.7785 | |
| 276 | S | A | -1.8182 | |
| 277 | S | A | -1.4477 | |
| 278 | H | A | -1.8329 | |
| 279 | S | A | -1.6983 | |
| 280 | D | A | -2.3422 | |
| 281 | T | A | -1.1045 | |
| 282 | H | A | -0.6196 | |
| 283 | V | A | 0.2387 | |
| 284 | Q | A | -1.2599 | |
| 285 | R | A | -1.4292 | |
| 286 | L | A | 0.2450 | |
| 287 | S | A | 0.0261 | |
| 288 | P | A | 0.1530 | |
| 289 | T | A | 0.0840 | |
| 290 | M | A | 0.2970 | |
| 291 | N | A | -0.9180 | |
| 292 | P | A | -0.4135 | |
| 293 | A | A | 0.1102 | |
| 294 | L | A | 0.8643 | |
| 295 | N | A | -0.6534 | |
| 296 | P | A | -1.0314 | |
| 297 | T | A | -1.4272 | |
| 298 | R | A | -1.9735 | |
| 299 | A | A | -1.4137 | |
| 300 | P | A | -1.4988 | |
| 301 | K | A | -2.0395 | |
| 302 | A | A | -1.3179 | |
| 303 | S | A | -1.5008 | |
| 304 | R | A | -2.4854 | |
| 305 | P | A | -1.6577 | |
| 306 | P | A | -1.6327 | |
| 307 | K | A | -2.1827 | |
| 308 | M | A | -1.1635 | |
| 309 | R | A | -2.8661 | |
| 310 | N | A | -3.1950 | |
| 311 | R | A | -2.9973 | |
| 312 | P | A | -1.9187 | |
| 313 | T | A | -1.1096 | |
| 314 | P | A | -0.8601 | |
| 315 | R | A | -1.1452 | |
| 316 | V | A | 1.1109 | |
| 317 | T | A | 0.9321 | |
| 318 | V | A | 1.3612 | |
| 319 | S | A | -0.4403 | |
| 320 | K | A | -2.8363 | |
| 321 | D | A | -3.7228 | |
| 322 | R | A | -3.4986 | |
| 323 | Q | A | -2.5323 | |
| 324 | S | A | -0.6236 | |
| 325 | F | A | 1.4240 | |
| 326 | G | A | 0.7511 | |
| 327 | P | A | 1.5720 | |
| 328 | I | A | 3.3257 | |
| 329 | M | A | 2.9588 | |
| 330 | V | A | 3.1121 | |
| 331 | Y | A | 1.9243 | |
| 332 | Q | A | -0.4504 | |
| 333 | T | A | -0.9267 | |
| 334 | K | A | -1.8260 | |
| 335 | S | A | -0.9400 | |
| 336 | P | A | -0.1164 | |
| 337 | V | A | 1.1504 | |
| 338 | A | A | 1.0364 | |
| 339 | L | A | 0.8111 | |
| 340 | T | A | 0.3240 | |
| 341 | C | A | 0.2644 | |
| 342 | P | A | 0.0000 | |
| 343 | S | A | -0.3761 | |
| 344 | S | A | -0.4438 | |
| 345 | C | A | 0.1169 | |
| 346 | V | A | 1.2029 | |
| 347 | C | A | 0.7252 | |
| 348 | T | A | 0.0923 | |
| 349 | S | A | -0.9972 | |
| 350 | Q | A | -1.4425 | |
| 351 | S | A | -1.4158 | |
| 352 | S | A | -1.7267 | |
| 353 | D | A | -2.6567 | |
| 354 | N | A | -2.0726 | |
| 355 | G | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | N | A | 0.0000 | |
| 358 | V | A | 0.0000 | |
| 359 | N | A | -0.0650 | |
| 360 | C | A | 0.0000 | |
| 361 | Q | A | -1.4382 | |
| 362 | E | A | -2.4446 | |
| 363 | R | A | -1.9936 | |
| 364 | K | A | -1.9488 | |
| 365 | F | A | -1.2562 | |
| 366 | T | A | -0.8941 | |
| 367 | N | A | -0.8341 | |
| 368 | I | A | 0.0000 | |
| 369 | S | A | -1.0231 | |
| 370 | D | A | -1.3194 | |
| 371 | L | A | 0.0000 | |
| 372 | Q | A | -1.6923 | |
| 373 | P | A | -1.1825 | |
| 374 | K | A | -1.1293 | |
| 375 | P | A | 0.0000 | |
| 376 | T | A | -0.1173 | |
| 377 | S | A | -0.6182 | |
| 378 | P | A | 0.0000 | |
| 379 | K | A | -0.8655 | |
| 380 | K | A | 0.0000 | |
| 381 | L | A | 0.0000 | |
| 382 | Y | A | -0.1030 | |
| 383 | L | A | 0.0000 | |
| 384 | T | A | -1.1392 | |
| 385 | G | A | -1.5715 | |
| 386 | N | A | 0.0000 | |
| 387 | Y | A | -1.0258 | |
| 388 | L | A | 0.0000 | |
| 389 | Q | A | -0.8216 | |
| 390 | T | A | -0.2611 | |
| 391 | V | A | 0.0000 | |
| 392 | Y | A | -0.9881 | |
| 393 | K | A | -2.2758 | |
| 394 | N | A | -1.8847 | |
| 395 | D | A | 0.0000 | |
| 396 | L | A | 0.0000 | |
| 397 | L | A | -0.9592 | |
| 398 | E | A | -1.8620 | |
| 399 | Y | A | 0.0000 | |
| 400 | T | A | -0.8728 | |
| 401 | S | A | -0.7159 | |
| 402 | L | A | 0.0000 | |
| 403 | D | A | -1.0145 | |
| 404 | L | A | 0.0000 | |
| 405 | L | A | 0.0000 | |
| 406 | H | A | -0.3833 | |
| 407 | L | A | 0.0000 | |
| 408 | G | A | 0.0000 | |
| 409 | N | A | -1.4677 | |
| 410 | N | A | 0.0000 | |
| 411 | R | A | -0.9752 | |
| 412 | I | A | 0.0000 | |
| 413 | A | A | 0.5194 | |
| 414 | V | A | 0.9801 | |
| 415 | I | A | 0.0000 | |
| 416 | Q | A | -1.4883 | |
| 417 | E | A | -2.3051 | |
| 418 | G | A | 0.0000 | |
| 419 | A | A | 0.0000 | |
| 420 | F | A | 0.0000 | |
| 421 | T | A | -1.3097 | |
| 422 | N | A | -1.3000 | |
| 423 | L | A | 0.0000 | |
| 424 | T | A | -1.0368 | |
| 425 | S | A | -0.9534 | |
| 426 | L | A | 0.0000 | |
| 427 | R | A | -1.9510 | |
| 428 | R | A | -1.0537 | |
| 429 | L | A | 0.0000 | |
| 430 | Y | A | 0.0000 | |
| 431 | L | A | 0.0000 | |
| 432 | N | A | -0.1696 | |
| 433 | G | A | -0.1977 | |
| 434 | N | A | 0.0000 | |
| 435 | Y | A | 0.7714 | |
| 436 | L | A | 0.0000 | |
| 437 | E | A | -1.0779 | |
| 438 | V | A | -0.6618 | |
| 439 | L | A | 0.0000 | |
| 440 | Y | A | 0.2163 | |
| 441 | P | A | -0.4488 | |
| 442 | S | A | -0.9601 | |
| 443 | M | A | 0.0000 | |
| 444 | F | A | 0.0000 | |
| 445 | D | A | -2.0360 | |
| 446 | G | A | -1.2230 | |
| 447 | L | A | 0.0000 | |
| 448 | Q | A | -1.1478 | |
| 449 | S | A | -0.9429 | |
| 450 | L | A | 0.0000 | |
| 451 | Q | A | -0.9552 | |
| 452 | Y | A | -0.5954 | |
| 453 | L | A | 0.0000 | |
| 454 | Y | A | 0.0000 | |
| 455 | L | A | 0.0000 | |
| 456 | E | A | 0.0000 | |
| 457 | Y | A | 1.1467 | |
| 458 | N | A | 0.0000 | |
| 459 | V | A | 0.3783 | |
| 460 | I | A | 0.0000 | |
| 461 | K | A | -2.5252 | |
| 462 | E | A | -2.4596 | |
| 463 | I | A | 0.0000 | |
| 464 | K | A | -0.8376 | |
| 465 | P | A | -0.9668 | |
| 466 | L | A | -0.3867 | |
| 467 | T | A | 0.0000 | |
| 468 | F | A | 0.0000 | |
| 469 | D | A | -0.9864 | |
| 470 | A | A | -0.6999 | |
| 471 | L | A | 0.0000 | |
| 472 | I | A | 0.4739 | |
| 473 | N | A | -0.5604 | |
| 474 | L | A | 0.0000 | |
| 475 | Q | A | -0.5436 | |
| 476 | L | A | 0.0000 | |
| 477 | L | A | 0.0000 | |
| 478 | F | A | 0.1211 | |
| 479 | L | A | 0.0000 | |
| 480 | N | A | -0.3853 | |
| 481 | N | A | -0.2615 | |
| 482 | N | A | 0.0000 | |
| 483 | L | A | -1.0166 | |
| 484 | L | A | 0.0000 | |
| 485 | R | A | -2.6764 | |
| 486 | S | A | -1.8354 | |
| 487 | L | A | 0.0000 | |
| 488 | P | A | -1.3974 | |
| 489 | D | A | -2.5371 | |
| 490 | N | A | -2.1884 | |
| 491 | I | A | 0.0000 | |
| 492 | F | A | 0.0000 | |
| 493 | G | A | -1.2791 | |
| 494 | G | A | -0.4661 | |
| 495 | T | A | 0.0000 | |
| 496 | A | A | -0.2447 | |
| 497 | L | A | 0.0000 | |
| 498 | T | A | -0.0734 | |
| 499 | R | A | -0.0758 | |
| 500 | L | A | 0.0000 | |
| 501 | N | A | -0.5158 | |
| 502 | L | A | 0.0000 | |
| 503 | R | A | -1.1339 | |
| 504 | N | A | -1.2290 | |
| 505 | N | A | 0.0000 | |
| 506 | H | A | -1.7808 | |
| 507 | F | A | 0.0000 | |
| 508 | S | A | -1.2852 | |
| 509 | H | A | -1.1654 | |
| 510 | L | A | 0.0000 | |
| 511 | P | A | -1.4677 | |
| 512 | V | A | -1.6617 | |
| 513 | K | A | -2.6920 | |
| 514 | G | A | -2.3737 | |
| 515 | V | A | 0.0000 | |
| 516 | L | A | 0.0000 | |
| 517 | D | A | -2.5654 | |
| 518 | Q | A | -1.8718 | |
| 519 | L | A | 0.0000 | |
| 520 | P | A | -0.7035 | |
| 521 | A | A | -0.0262 | |
| 522 | F | A | 0.0000 | |
| 523 | I | A | 0.5865 | |
| 524 | Q | A | 0.4378 | |
| 525 | I | A | 0.0000 | |
| 526 | D | A | -0.6703 | |
| 527 | L | A | 0.0000 | |
| 528 | Q | A | 0.0000 | |
| 529 | E | A | -1.3973 | |
| 530 | N | A | 0.0000 | |
| 531 | P | A | -1.1797 | |
| 532 | W | A | 0.0000 | |
| 533 | D | A | -0.9560 | |
| 534 | C | A | 0.0000 | |
| 535 | T | A | -0.7013 | |
| 536 | C | A | -1.3690 | |
| 537 | D | A | -1.7333 | |
| 538 | I | A | 0.0000 | |
| 539 | M | A | -0.9885 | |
| 540 | G | A | -1.2566 | |
| 541 | L | A | 0.0000 | |
| 542 | K | A | 0.0000 | |
| 543 | D | A | -1.8431 | |
| 544 | W | A | -1.6200 | |
| 545 | T | A | 0.0000 | |
| 546 | E | A | -2.5169 | |
| 547 | H | A | -2.1675 | |
| 548 | A | A | -1.3844 | |
| 549 | N | A | -1.6485 | |
| 550 | S | A | -0.9118 | |
| 551 | P | A | -0.1346 | |
| 552 | V | A | 0.4393 | |
| 553 | I | A | 0.7801 | |
| 554 | I | A | 0.3484 | |
| 555 | N | A | -0.6282 | |
| 556 | E | A | -1.4175 | |
| 557 | V | A | 0.0000 | |
| 558 | T | A | -0.9220 | |
| 559 | C | A | 0.0000 | |
| 560 | E | A | -1.9725 | |
| 561 | S | A | -1.4110 | |
| 562 | P | A | -0.9901 | |
| 563 | A | A | -1.6153 | |
| 564 | K | A | -2.3256 | |
| 565 | H | A | -1.8545 | |
| 566 | A | A | 0.0000 | |
| 567 | G | A | 0.0000 | |
| 568 | E | A | -1.2405 | |
| 569 | I | A | -0.3016 | |
| 570 | L | A | 0.0000 | |
| 571 | K | A | -0.9811 | |
| 572 | F | A | 1.1110 | |
| 573 | L | A | 0.0000 | |
| 574 | G | A | -1.3642 | |
| 575 | R | A | -2.7460 | |
| 576 | E | A | -3.2317 | |
| 577 | A | A | -1.8992 | |
| 578 | I | A | 0.0000 | |
| 579 | C | A | -2.0187 | |
| 580 | P | A | -2.3226 | |
| 581 | D | A | -2.9924 | |
| 582 | N | A | -2.6088 | |
| 583 | P | A | -1.6803 | |
| 584 | N | A | -1.4547 | |
| 585 | L | A | 0.0709 | |
| 586 | S | A | -0.9822 | |
| 587 | D | A | -1.6881 | |
| 588 | G | A | -0.6287 | |
| 589 | T | A | 0.3275 | |
| 590 | V | A | 2.0939 | |
| 591 | L | A | 2.4295 | |
| 592 | S | A | 1.2791 | |
| 593 | M | A | 0.3556 | |
| 594 | N | A | -1.4781 | |
| 595 | H | A | -2.1050 | |
| 596 | N | A | -2.5511 | |
| 597 | T | A | -1.9353 | |
| 598 | D | A | -2.2067 | |
| 599 | T | A | -1.5670 | |
| 600 | P | A | -1.4188 | |
| 601 | R | A | -1.7503 | |
| 602 | S | A | -0.6347 | |
| 603 | L | A | 1.2422 | |
| 604 | S | A | 1.0601 | |
| 605 | V | A | 1.8182 | |
| 606 | S | A | 0.3865 | |
| 607 | P | A | -0.0151 | |
| 608 | S | A | -0.0134 | |
| 609 | S | A | -0.0258 | |
| 610 | Y | A | 0.8380 | |
| 611 | P | A | -0.2376 | |
| 612 | E | A | -1.2143 | |
| 613 | L | A | 0.0040 | |
| 614 | H | A | -1.0767 | |
| 615 | T | A | -0.7124 | |
| 616 | E | A | -0.9012 | |
| 617 | V | A | 1.5910 | |
| 618 | P | A | 1.7667 | |
| 619 | L | A | 3.0421 | |
| 620 | S | A | 2.9719 | |
| 621 | V | A | 4.2565 | |
| 622 | L | A | 4.4283 | |
| 623 | I | A | 4.7231 | |
| 624 | L | A | 4.8447 | |
| 625 | G | A | 4.2422 | |
| 626 | L | A | 5.2844 | |
| 627 | L | A | 5.2928 | |
| 628 | V | A | 5.3120 | |
| 629 | V | A | 5.6262 | |
| 630 | F | A | 5.7950 | |
| 631 | I | A | 5.2389 | |
| 632 | L | A | 5.1124 | |
| 633 | S | A | 3.8365 | |
| 634 | V | A | 4.0158 | |
| 635 | C | A | 3.7587 | |
| 636 | F | A | 3.8137 | |
| 637 | G | A | 2.7580 | |
| 638 | A | A | 2.7936 | |
| 639 | G | A | 2.7310 | |
| 640 | L | A | 3.5045 | |
| 641 | F | A | 3.7275 | |
| 642 | V | A | 2.7865 | |
| 643 | F | A | 2.6001 | |
| 644 | V | A | 1.5799 | |
| 645 | L | A | -0.0394 | |
| 646 | K | A | -1.7783 | |
| 647 | R | A | -2.4177 | |
| 648 | R | A | -2.9000 | |
| 649 | K | A | -3.0244 | |
| 650 | G | A | -1.7846 | |
| 651 | V | A | 0.4461 | |
| 652 | P | A | 0.5495 | |
| 653 | S | A | 0.8459 | |
| 654 | V | A | 1.0517 | |
| 655 | P | A | -0.3634 | |
| 656 | R | A | -1.6640 | |
| 657 | S | A | -0.9974 | |
| 658 | A | A | -0.7011 | |
| 659 | T | A | -0.3800 | |
| 660 | N | A | -0.7963 | |
| 661 | L | A | 0.3205 | |
| 662 | D | A | -0.4545 | |
| 663 | V | A | 0.9379 | |
| 664 | S | A | 0.4726 | |
| 665 | S | A | 0.6146 | |
| 666 | F | A | 1.5125 | |
| 667 | Q | A | 0.1269 | |
| 668 | L | A | 1.0596 | |
| 669 | Q | A | -0.1854 | |
| 670 | Y | A | 0.9342 | |
| 671 | G | A | -0.0142 | |
| 672 | S | A | 0.1560 | |
| 673 | Y | A | 0.4191 | |
| 674 | N | A | -1.1679 | |
| 675 | T | A | -1.2723 | |
| 676 | E | A | -2.3161 | |
| 677 | T | A | -2.0125 | |
| 678 | N | A | -3.0126 | |
| 679 | D | A | -3.2999 | |
| 680 | K | A | -3.2644 | |
| 681 | T | A | -2.4631 | |
| 682 | D | A | -2.6299 | |
| 683 | G | A | -1.2555 | |
| 684 | H | A | -0.6044 | |
| 685 | V | A | 1.6730 | |
| 686 | Y | A | 1.8944 | |
| 687 | N | A | 0.7322 | |
| 688 | Y | A | 2.1811 | |
| 689 | I | A | 2.3185 | |
| 690 | P | A | 0.9374 | |
| 691 | P | A | 0.5729 | |
| 692 | P | A | 0.4399 | |
| 693 | V | A | 1.4285 | |
| 694 | G | A | 0.1907 | |
| 695 | Q | A | -0.3354 | |
| 696 | M | A | 0.8217 | |
| 697 | C | A | 0.8171 | |
| 698 | Q | A | -0.6742 | |
| 699 | N | A | -0.4225 | |
| 700 | P | A | 0.4397 | |
| 701 | I | A | 1.9791 | |
| 702 | Y | A | 1.3970 | |
| 703 | M | A | 0.3548 | |
| 704 | Q | A | -1.5098 | |
| 705 | K | A | -3.1103 | |
| 706 | E | A | -3.4239 | |
| 707 | G | A | -2.8422 | |
| 708 | D | A | -2.3695 | |
| 709 | P | A | -0.5486 | |
| 710 | V | A | 1.6044 | |
| 711 | A | A | 1.4018 | |
| 712 | Y | A | 2.0255 | |
| 713 | Y | A | 0.9476 | |
| 714 | R | A | -1.2963 | |
| 715 | N | A | -1.6385 | |
| 716 | L | A | -0.3751 | |
| 717 | Q | A | -1.4930 | |
| 718 | D | A | -1.3419 | |
| 719 | F | A | 0.9824 | |
| 720 | S | A | 0.9628 | |
| 721 | Y | A | 1.0462 | |
| 722 | G | A | -0.0310 | |
| 723 | N | A | -0.7915 | |
| 724 | L | A | -0.6114 | |
| 725 | E | A | -2.5081 | |
| 726 | E | A | -3.7130 | |
| 727 | K | A | -4.5609 | |
| 728 | K | A | -4.3573 | |
| 729 | E | A | -4.0339 | |
| 730 | E | A | -3.5274 | |
| 731 | P | A | -1.8136 | |
| 732 | A | A | -0.3962 | |
| 733 | T | A | 0.5856 | |
| 734 | L | A | 1.8500 | |
| 735 | A | A | 1.4119 | |
| 736 | Y | A | 2.1125 | |
| 737 | T | A | 1.5108 | |
| 738 | I | A | 2.1893 | |
| 739 | S | A | 0.7484 | |
| 740 | A | A | 0.0002 | |
| 741 | T | A | -0.7911 | |
| 742 | E | A | -0.7933 | |
| 743 | L | A | 0.9576 | |
| 744 | L | A | 0.7895 | |
| 745 | E | A | -1.8691 | |
| 746 | K | A | -2.6798 | |
| 747 | Q | A | -2.5084 | |
| 748 | A | A | -1.1764 | |
| 749 | T | A | -0.8200 | |
| 750 | P | A | -1.6336 | |
| 751 | K | A | -2.7740 | |
| 752 | E | A | -3.2022 | |
| 753 | P | A | -1.8369 | |
| 754 | E | A | -1.1891 | |
| 755 | L | A | 1.6693 | |
| 756 | L | A | 2.3116 | |
| 757 | Y | A | 1.6985 | |
| 758 | Q | A | 0.2138 | |
| 759 | N | A | -0.0018 | |
| 760 | I | A | 0.7068 | |
| 761 | A | A | -0.3241 | |
| 762 | E | A | -2.5148 | |
| 763 | R | A | -3.2384 | |
| 764 | A | A | -2.5539 | |
| 765 | K | A | -2.7770 | |
| 766 | E | A | -2.0630 | |
| 767 | L | A | 0.3524 | |
| 768 | P | A | 0.0702 | |
| 769 | S | A | 0.0653 | |
| 770 | A | A | 0.2380 | |
| 771 | G | A | 0.7953 | |
| 772 | L | A | 2.0264 | |
| 773 | V | A | 2.0681 | |
| 774 | H | A | 0.7801 | |
| 775 | Y | A | 1.0785 | |
| 776 | N | A | 0.5725 | |
| 777 | F | A | 1.9450 | |
| 778 | C | A | 1.8424 | |
| 779 | T | A | 1.4578 | |
| 780 | L | A | 1.2029 | |
| 781 | P | A | -0.6322 | |
| 782 | K | A | -2.5860 | |
| 783 | R | A | -2.9479 | |
| 784 | Q | A | -1.3537 | |
| 785 | F | A | 0.6204 | |
| 786 | A | A | 0.4581 | |
| 787 | P | A | 0.0730 | |
| 788 | S | A | 0.0181 | |
| 789 | Y | A | 0.1120 | |
| 790 | E | A | -1.6627 | |
| 791 | S | A | -2.1671 | |
| 792 | R | A | -3.6319 | |
| 793 | R | A | -3.8117 | |
| 794 | Q | A | -3.6992 | |
| 795 | N | A | -3.3971 | |
| 796 | Q | A | -3.5646 | |
| 797 | D | A | -3.3549 | |
| 798 | R | A | -2.1632 | |
| 799 | I | A | -0.3386 | |
| 800 | N | A | -1.5933 | |
| 801 | K | A | -1.5562 | |
| 802 | T | A | -0.0308 | |
| 803 | V | A | 2.4688 | |
| 804 | L | A | 3.0125 | |
| 805 | Y | A | 2.1096 | |
| 806 | G | A | 0.5563 | |
| 807 | T | A | -0.4905 | |
| 808 | P | A | -1.5975 | |
| 809 | R | A | -2.6398 | |
| 810 | K | A | -1.8718 | |
| 811 | C | A | 0.7928 | |
| 812 | F | A | 2.7299 | |
| 813 | V | A | 2.4038 | |
| 814 | G | A | 0.1746 | |
| 815 | Q | A | -1.4835 | |
| 816 | S | A | -1.7597 | |
| 817 | K | A | -2.5715 | |
| 818 | P | A | -2.3615 | |
| 819 | D | A | -2.8192 | |
| 820 | H | A | -1.5358 | |
| 821 | P | A | -0.1400 | |
| 822 | L | A | 1.7090 | |
| 823 | L | A | 1.5950 | |
| 824 | Q | A | -0.4152 | |
| 825 | A | A | -1.0869 | |
| 826 | K | A | -2.3521 | |
| 827 | P | A | -1.9020 | |
| 828 | Q | A | -2.3297 | |
| 829 | S | A | -2.1770 | |
| 830 | E | A | -2.5044 | |
| 831 | P | A | -1.4297 | |
| 832 | D | A | -1.0926 | |
| 833 | Y | A | 0.8401 | |
| 834 | L | A | 0.4120 | |
| 835 | E | A | -1.1200 | |
| 836 | V | A | 0.3797 | |
| 837 | L | A | 0.2259 | |
| 838 | E | A | -1.8975 | |
| 839 | K | A | -1.8311 | |
| 840 | Q | A | -1.3735 | |
| 841 | T | A | -0.8974 | |
| 842 | A | A | -0.4644 | |
| 843 | I | A | 0.9308 | |
| 844 | S | A | 0.0867 | |
| 845 | Q | A | -0.0682 | |
| 846 | L | A | 1.4862 |
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 | -0.1042 | 8.4948 | View | CSV | PDB |
| 4.5 | -0.1642 | 8.4948 | View | CSV | PDB |
| 5.0 | -0.238 | 8.4948 | View | CSV | PDB |
| 5.5 | -0.3109 | 8.4948 | View | CSV | PDB |
| 6.0 | -0.3669 | 8.4948 | View | CSV | PDB |
| 6.5 | -0.3954 | 8.4948 | View | CSV | PDB |
| 7.0 | -0.3974 | 8.4948 | View | CSV | PDB |
| 7.5 | -0.3828 | 8.4948 | View | CSV | PDB |
| 8.0 | -0.3598 | 8.4948 | View | CSV | PDB |
| 8.5 | -0.3304 | 8.4948 | View | CSV | PDB |
| 9.0 | -0.294 | 8.4948 | 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