| Chain sequence(s) | MDVSLCPAKCSFWRIFLLGSVWLDYVGSVLACPANCVCSKTEINCRRPDDGNLFPLLEGQDSGNSNGNASINITDISRNITSIHIENWRGLHTLNAVDMELYTGLQKLTIKNSGLRNIQPRAFAKNPHLRYINLSSNRLTTLSWQLFQTLSLRELRLEQNFFNCSCDIRWMQLWQEQGEARLDSQSLYCISADGSQLPLFRMNISQCDLPEISVSHVNLTVREGDNAVITCNGSGSPLPDVDWIVTGLQSINTHQTNLNWTNVHAINLTLVNVTSEDNGFTLTCIAENVVGMSNASVALTVYYPPRVVSLVEPEVRLEHCIEFVVRGNPTPTLHWLYNGQPLRESKIIHMDYYQEGEVSEGCLLFNKPTHYNNGNYTLIAKNALGTANQTINGHFLKEPFPESTDFFDFESDASPTPPITVTHKPEEDTFGVSIAVGLAAFACVLLVVLFIMINKYGRRSKFGMKGPVAVISGEEDSASPLHHINHGITTPSSLDAGPDTVVIGMTRIPVIENPQYFRQGHNCHKPDTYVQHIKRRDIVLKRELGEGAFGKVFLAECYNLSPTKDKMLVAVKALKDPTLAARKDFQREAELLTNLQHEHIVKFYGVCGDGDPLIMVFEYMKHGDLNKFLRAHGPDAMILVDGQPRQAKGELGLSQMLHIASQIASGMVYLASQHFVHRDLATRNCLVGANLLVKIGDFGMSRDVYSTDYYREGPYQKGPFSVSWQQQRLAASAASTLFNPSGNDFCIWCEVGGHTMLPIRWMPPESIMYRKFTTESDVWSFGVILWEIFTYGKQPWFQLSNTEVIECITQGRVLERPRVCPKEVYDVMLGCWQREPQQRLNIKEIYKILHALGKATPIYLDILG 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:31:02)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d0ea4950c227a0/tmp/folded.pdb (00:31:02)
[INFO] Main: Simulation completed successfully. (00:48:24)
|
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 | 0.5270 | |
| 2 | D | A | -0.4550 | |
| 3 | V | A | 1.4082 | |
| 4 | S | A | 1.3113 | |
| 5 | L | A | 2.2012 | |
| 6 | C | A | 1.6417 | |
| 7 | P | A | 0.1839 | |
| 8 | A | A | -0.5810 | |
| 9 | K | A | -1.3522 | |
| 10 | C | A | 0.0271 | |
| 11 | S | A | 0.7009 | |
| 12 | F | A | 2.3002 | |
| 13 | W | A | 1.7755 | |
| 14 | R | A | 0.8679 | |
| 15 | I | A | 2.8384 | |
| 16 | F | A | 3.7093 | |
| 17 | L | A | 3.5797 | |
| 18 | L | A | 2.7868 | |
| 19 | G | A | 1.4277 | |
| 20 | S | A | 1.4525 | |
| 21 | V | A | 2.5821 | |
| 22 | W | A | 2.4786 | |
| 23 | L | A | 2.2019 | |
| 24 | D | A | 0.4617 | |
| 25 | Y | A | 1.8944 | |
| 26 | V | A | 2.0488 | |
| 27 | G | A | 0.6084 | |
| 28 | S | A | 1.1206 | |
| 29 | V | A | 1.5306 | |
| 30 | L | A | 0.6414 | |
| 31 | A | A | -0.2766 | |
| 32 | C | A | 0.4145 | |
| 33 | P | A | 0.0333 | |
| 34 | A | A | 0.0323 | |
| 35 | N | A | -1.4946 | |
| 36 | C | A | 0.0000 | |
| 37 | V | A | 0.9680 | |
| 38 | C | A | 0.1539 | |
| 39 | S | A | -1.1749 | |
| 40 | K | A | -2.3014 | |
| 41 | T | A | -2.0250 | |
| 42 | E | A | -1.9655 | |
| 43 | I | A | 0.0000 | |
| 44 | N | A | -0.9128 | |
| 45 | C | A | 0.0000 | |
| 46 | R | A | -2.9340 | |
| 47 | R | A | -3.0929 | |
| 48 | P | A | -3.0811 | |
| 49 | D | A | -3.9943 | |
| 50 | D | A | -3.6861 | |
| 51 | G | A | 0.0000 | |
| 52 | N | A | -1.7820 | |
| 53 | L | A | 0.6176 | |
| 54 | F | A | 0.0000 | |
| 55 | P | A | 0.0000 | |
| 56 | L | A | 0.2157 | |
| 57 | L | A | 0.0000 | |
| 58 | E | A | -1.9817 | |
| 59 | G | A | -1.6341 | |
| 60 | Q | A | -2.2269 | |
| 61 | D | A | -3.1201 | |
| 62 | S | A | -2.1120 | |
| 63 | G | A | -2.0949 | |
| 64 | N | A | -2.2770 | |
| 65 | S | A | -1.8484 | |
| 66 | N | A | -2.3138 | |
| 67 | G | A | -1.9241 | |
| 68 | N | A | -1.6832 | |
| 69 | A | A | -0.5950 | |
| 70 | S | A | -0.2391 | |
| 71 | I | A | 0.9995 | |
| 72 | N | A | -0.4352 | |
| 73 | I | A | -0.3893 | |
| 74 | T | A | -0.8851 | |
| 75 | D | A | -1.3282 | |
| 76 | I | A | -1.0159 | |
| 77 | S | A | 0.0000 | |
| 78 | R | A | -2.2933 | |
| 79 | N | A | -2.4305 | |
| 80 | I | A | 0.0000 | |
| 81 | T | A | -1.6452 | |
| 82 | S | A | -1.4876 | |
| 83 | I | A | 0.0000 | |
| 84 | H | A | -1.0461 | |
| 85 | I | A | 0.0000 | |
| 86 | E | A | -2.3084 | |
| 87 | N | A | -2.7099 | |
| 88 | W | A | 0.0000 | |
| 89 | R | A | -3.5387 | |
| 90 | G | A | -2.1992 | |
| 91 | L | A | 0.0000 | |
| 92 | H | A | -2.3028 | |
| 93 | T | A | -1.3773 | |
| 94 | L | A | 0.0000 | |
| 95 | N | A | -0.3600 | |
| 96 | A | A | -0.4432 | |
| 97 | V | A | 0.8945 | |
| 98 | D | A | 0.0000 | |
| 99 | M | A | 0.0000 | |
| 100 | E | A | -1.3653 | |
| 101 | L | A | -0.5616 | |
| 102 | Y | A | 0.0000 | |
| 103 | T | A | -1.5237 | |
| 104 | G | A | -1.8908 | |
| 105 | L | A | 0.0000 | |
| 106 | Q | A | -1.3487 | |
| 107 | K | A | -1.5318 | |
| 108 | L | A | 0.0000 | |
| 109 | T | A | -0.7078 | |
| 110 | I | A | 0.0000 | |
| 111 | K | A | -1.9575 | |
| 112 | N | A | -1.9824 | |
| 113 | S | A | 0.0000 | |
| 114 | G | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | R | A | -3.3640 | |
| 117 | N | A | -2.7179 | |
| 118 | I | A | -1.5394 | |
| 119 | Q | A | -1.2512 | |
| 120 | P | A | -1.5984 | |
| 121 | R | A | -2.2810 | |
| 122 | A | A | 0.0000 | |
| 123 | F | A | 0.0000 | |
| 124 | A | A | -1.6639 | |
| 125 | K | A | -1.6940 | |
| 126 | N | A | 0.0000 | |
| 127 | P | A | -1.0555 | |
| 128 | H | A | -1.5280 | |
| 129 | L | A | 0.0000 | |
| 130 | R | A | 0.0000 | |
| 131 | Y | A | -1.0799 | |
| 132 | I | A | 0.0000 | |
| 133 | N | A | -1.0130 | |
| 134 | L | A | 0.0000 | |
| 135 | S | A | -1.4954 | |
| 136 | S | A | -1.4331 | |
| 137 | N | A | 0.0000 | |
| 138 | R | A | -2.8886 | |
| 139 | L | A | 0.0000 | |
| 140 | T | A | -0.8940 | |
| 141 | T | A | -0.9083 | |
| 142 | L | A | 0.0000 | |
| 143 | S | A | -0.5089 | |
| 144 | W | A | 0.0000 | |
| 145 | Q | A | -1.1298 | |
| 146 | L | A | 0.0000 | |
| 147 | F | A | 0.0000 | |
| 148 | Q | A | -1.3488 | |
| 149 | T | A | -0.9156 | |
| 150 | L | A | 0.0000 | |
| 151 | S | A | -1.1827 | |
| 152 | L | A | -1.5262 | |
| 153 | R | A | -2.4504 | |
| 154 | E | A | -2.4024 | |
| 155 | L | A | 0.0000 | |
| 156 | R | A | -1.7955 | |
| 157 | L | A | 0.0000 | |
| 158 | E | A | -1.0776 | |
| 159 | Q | A | -1.4338 | |
| 160 | N | A | 0.0000 | |
| 161 | F | A | 0.9364 | |
| 162 | F | A | 0.0000 | |
| 163 | N | A | -0.4644 | |
| 164 | C | A | -0.3134 | |
| 165 | S | A | -0.4578 | |
| 166 | C | A | -0.8550 | |
| 167 | D | A | -0.7830 | |
| 168 | I | A | 0.0000 | |
| 169 | R | A | -0.3557 | |
| 170 | W | A | 0.0000 | |
| 171 | M | A | 0.0000 | |
| 172 | Q | A | 0.0000 | |
| 173 | L | A | -0.7960 | |
| 174 | W | A | -1.6630 | |
| 175 | Q | A | -1.9904 | |
| 176 | E | A | -2.4040 | |
| 177 | Q | A | -2.7747 | |
| 178 | G | A | -2.6548 | |
| 179 | E | A | -2.8685 | |
| 180 | A | A | 0.0000 | |
| 181 | R | A | -3.1606 | |
| 182 | L | A | 0.0000 | |
| 183 | D | A | -2.4200 | |
| 184 | S | A | -1.5921 | |
| 185 | Q | A | 0.0000 | |
| 186 | S | A | -0.4196 | |
| 187 | L | A | 0.0000 | |
| 188 | Y | A | 0.4514 | |
| 189 | C | A | 0.0000 | |
| 190 | I | A | -0.2076 | |
| 191 | S | A | -0.9746 | |
| 192 | A | A | -1.1715 | |
| 193 | D | A | -2.1256 | |
| 194 | G | A | -1.6039 | |
| 195 | S | A | -1.2409 | |
| 196 | Q | A | -0.9408 | |
| 197 | L | A | -0.2813 | |
| 198 | P | A | 0.1321 | |
| 199 | L | A | 0.0000 | |
| 200 | F | A | 0.4867 | |
| 201 | R | A | -1.0518 | |
| 202 | M | A | 0.0000 | |
| 203 | N | A | -1.3759 | |
| 204 | I | A | -0.8578 | |
| 205 | S | A | -1.0713 | |
| 206 | Q | A | -1.6202 | |
| 207 | C | A | 0.0000 | |
| 208 | D | A | -1.7710 | |
| 209 | L | A | -0.4241 | |
| 210 | P | A | 0.0000 | |
| 211 | E | A | -1.9882 | |
| 212 | I | A | -0.9745 | |
| 213 | S | A | -0.5160 | |
| 214 | V | A | 0.0709 | |
| 215 | S | A | 0.0638 | |
| 216 | H | A | 0.2802 | |
| 217 | V | A | 1.1145 | |
| 218 | N | A | -0.2781 | |
| 219 | L | A | 0.0000 | |
| 220 | T | A | -0.4653 | |
| 221 | V | A | 0.0000 | |
| 222 | R | A | -2.5800 | |
| 223 | E | A | -2.4082 | |
| 224 | G | A | -2.1631 | |
| 225 | D | A | -2.4832 | |
| 226 | N | A | -1.8205 | |
| 227 | A | A | 0.0000 | |
| 228 | V | A | 0.9104 | |
| 229 | I | A | 0.0000 | |
| 230 | T | A | -0.1984 | |
| 231 | C | A | 0.0000 | |
| 232 | N | A | -0.9664 | |
| 233 | G | A | 0.0000 | |
| 234 | S | A | -0.9352 | |
| 235 | G | A | -1.3204 | |
| 236 | S | A | -1.0187 | |
| 237 | P | A | -0.5470 | |
| 238 | L | A | -0.4100 | |
| 239 | P | A | 0.0000 | |
| 240 | D | A | -1.9080 | |
| 241 | V | A | 0.0000 | |
| 242 | D | A | -1.6833 | |
| 243 | W | A | 0.0000 | |
| 244 | I | A | 0.9063 | |
| 245 | V | A | 0.6207 | |
| 246 | T | A | 0.1172 | |
| 247 | G | A | -0.4303 | |
| 248 | L | A | -0.3651 | |
| 249 | Q | A | -1.1282 | |
| 250 | S | A | 0.0000 | |
| 251 | I | A | 1.2983 | |
| 252 | N | A | 0.3228 | |
| 253 | T | A | -0.0830 | |
| 254 | H | A | -1.2083 | |
| 255 | Q | A | -1.5420 | |
| 256 | T | A | -0.8984 | |
| 257 | N | A | -0.2860 | |
| 258 | L | A | 0.7750 | |
| 259 | N | A | -0.3002 | |
| 260 | W | A | 0.4343 | |
| 261 | T | A | -0.0030 | |
| 262 | N | A | -0.6813 | |
| 263 | V | A | -0.3659 | |
| 264 | H | A | -0.4170 | |
| 265 | A | A | 0.0000 | |
| 266 | I | A | 0.0000 | |
| 267 | N | A | -0.7186 | |
| 268 | L | A | 0.0000 | |
| 269 | T | A | 0.0671 | |
| 270 | L | A | 0.0000 | |
| 271 | V | A | -0.1941 | |
| 272 | N | A | -1.8425 | |
| 273 | V | A | 0.0000 | |
| 274 | T | A | -1.6068 | |
| 275 | S | A | 0.0000 | |
| 276 | E | A | -2.2210 | |
| 277 | D | A | 0.0000 | |
| 278 | N | A | -1.1745 | |
| 279 | G | A | -0.8437 | |
| 280 | F | A | -0.3813 | |
| 281 | T | A | 0.0012 | |
| 282 | L | A | 0.0000 | |
| 283 | T | A | 0.0345 | |
| 284 | C | A | 0.0000 | |
| 285 | I | A | -0.7519 | |
| 286 | A | A | 0.0000 | |
| 287 | E | A | -1.0057 | |
| 288 | N | A | 0.0000 | |
| 289 | V | A | 0.1380 | |
| 290 | V | A | 0.0000 | |
| 291 | G | A | 0.0000 | |
| 292 | M | A | -0.4009 | |
| 293 | S | A | -0.7020 | |
| 294 | N | A | -1.3891 | |
| 295 | A | A | -0.5622 | |
| 296 | S | A | -0.0735 | |
| 297 | V | A | 0.0000 | |
| 298 | A | A | -0.1164 | |
| 299 | L | A | 0.0000 | |
| 300 | T | A | -0.6534 | |
| 301 | V | A | 0.0000 | |
| 302 | Y | A | -0.6147 | |
| 303 | Y | A | 0.0000 | |
| 304 | P | A | -0.8101 | |
| 305 | P | A | 0.0000 | |
| 306 | R | A | -1.1583 | |
| 307 | V | A | 0.1143 | |
| 308 | V | A | 1.3931 | |
| 309 | S | A | 0.6577 | |
| 310 | L | A | 0.1168 | |
| 311 | V | A | -0.7125 | |
| 312 | E | A | -2.0890 | |
| 313 | P | A | -1.2593 | |
| 314 | E | A | -0.7265 | |
| 315 | V | A | 0.8810 | |
| 316 | R | A | 0.3117 | |
| 317 | L | A | 0.3491 | |
| 318 | E | A | -0.0963 | |
| 319 | H | A | -0.4974 | |
| 320 | C | A | 0.0000 | |
| 321 | I | A | 0.0000 | |
| 322 | E | A | -1.0039 | |
| 323 | F | A | 0.0000 | |
| 324 | V | A | 0.5387 | |
| 325 | V | A | 0.0000 | |
| 326 | R | A | -0.8504 | |
| 327 | G | A | 0.0000 | |
| 328 | N | A | -0.6712 | |
| 329 | P | A | -0.3048 | |
| 330 | T | A | -0.8278 | |
| 331 | P | A | 0.0000 | |
| 332 | T | A | -0.3956 | |
| 333 | L | A | -0.2836 | |
| 334 | H | A | -0.4588 | |
| 335 | W | A | 0.0000 | |
| 336 | L | A | -1.0442 | |
| 337 | Y | A | -1.2984 | |
| 338 | N | A | -1.8597 | |
| 339 | G | A | -1.5284 | |
| 340 | Q | A | -1.9278 | |
| 341 | P | A | -1.5431 | |
| 342 | L | A | -1.7565 | |
| 343 | R | A | -2.8305 | |
| 344 | E | A | -3.0981 | |
| 345 | S | A | -2.2133 | |
| 346 | K | A | -1.9980 | |
| 347 | I | A | -1.4066 | |
| 348 | I | A | 0.0000 | |
| 349 | H | A | -1.9112 | |
| 350 | M | A | -1.0861 | |
| 351 | D | A | -1.5023 | |
| 352 | Y | A | -0.2568 | |
| 353 | Y | A | 0.0583 | |
| 354 | Q | A | -1.1975 | |
| 355 | E | A | -2.2266 | |
| 356 | G | A | -1.5489 | |
| 357 | E | A | -1.1432 | |
| 358 | V | A | -0.8605 | |
| 359 | S | A | 0.0000 | |
| 360 | E | A | -1.0080 | |
| 361 | G | A | -0.6649 | |
| 362 | C | A | -0.6348 | |
| 363 | L | A | 0.0000 | |
| 364 | L | A | -0.8043 | |
| 365 | F | A | 0.0000 | |
| 366 | N | A | -1.4252 | |
| 367 | K | A | -1.8551 | |
| 368 | P | A | -0.6616 | |
| 369 | T | A | -0.5404 | |
| 370 | H | A | -0.5501 | |
| 371 | Y | A | 0.6674 | |
| 372 | N | A | 0.0120 | |
| 373 | N | A | -1.0393 | |
| 374 | G | A | -1.3459 | |
| 375 | N | A | -2.0847 | |
| 376 | Y | A | 0.0000 | |
| 377 | T | A | -1.1818 | |
| 378 | L | A | 0.0000 | |
| 379 | I | A | -0.8502 | |
| 380 | A | A | 0.0000 | |
| 381 | K | A | -1.2643 | |
| 382 | N | A | -0.5441 | |
| 383 | A | A | 0.0060 | |
| 384 | L | A | 0.1235 | |
| 385 | G | A | -0.3627 | |
| 386 | T | A | -0.8651 | |
| 387 | A | A | -1.4131 | |
| 388 | N | A | -1.8876 | |
| 389 | Q | A | -1.3070 | |
| 390 | T | A | -1.3341 | |
| 391 | I | A | -1.3013 | |
| 392 | N | A | -2.2969 | |
| 393 | G | A | 0.0000 | |
| 394 | H | A | -1.7844 | |
| 395 | F | A | -0.7542 | |
| 396 | L | A | -0.5614 | |
| 397 | K | A | -1.9639 | |
| 398 | E | A | -2.0593 | |
| 399 | P | A | -0.7782 | |
| 400 | F | A | 0.3949 | |
| 401 | P | A | -0.9282 | |
| 402 | E | A | -2.0194 | |
| 403 | S | A | -1.1146 | |
| 404 | T | A | -1.1900 | |
| 405 | D | A | -0.9601 | |
| 406 | F | A | 1.7270 | |
| 407 | F | A | 2.0911 | |
| 408 | D | A | -0.0107 | |
| 409 | F | A | 0.7979 | |
| 410 | E | A | -1.7312 | |
| 411 | S | A | -1.5908 | |
| 412 | D | A | -2.2769 | |
| 413 | A | A | -1.0064 | |
| 414 | S | A | -0.6604 | |
| 415 | P | A | -0.4348 | |
| 416 | T | A | -0.1946 | |
| 417 | P | A | -0.0875 | |
| 418 | P | A | 0.5594 | |
| 419 | I | A | 2.2264 | |
| 420 | T | A | 1.6871 | |
| 421 | V | A | 1.7790 | |
| 422 | T | A | 0.0628 | |
| 423 | H | A | -1.6705 | |
| 424 | K | A | -2.6923 | |
| 425 | P | A | -2.8191 | |
| 426 | E | A | -3.5922 | |
| 427 | E | A | -3.4517 | |
| 428 | D | A | -2.4429 | |
| 429 | T | A | -0.4426 | |
| 430 | F | A | 1.2964 | |
| 431 | G | A | 1.1089 | |
| 432 | V | A | 2.4332 | |
| 433 | S | A | 2.1570 | |
| 434 | I | A | 2.7563 | |
| 435 | A | A | 2.5521 | |
| 436 | V | A | 3.0999 | |
| 437 | G | A | 2.3828 | |
| 438 | L | A | 3.2186 | |
| 439 | A | A | 2.6173 | |
| 440 | A | A | 2.7841 | |
| 441 | F | A | 4.1169 | |
| 442 | A | A | 3.4414 | |
| 443 | C | A | 3.9731 | |
| 444 | V | A | 5.1017 | |
| 445 | L | A | 4.7831 | |
| 446 | L | A | 5.4051 | |
| 447 | V | A | 5.9315 | |
| 448 | V | A | 5.1276 | |
| 449 | L | A | 5.2879 | |
| 450 | F | A | 5.1856 | |
| 451 | I | A | 3.9006 | |
| 452 | M | A | 3.2454 | |
| 453 | I | A | 3.0098 | |
| 454 | N | A | 0.3921 | |
| 455 | K | A | -0.2785 | |
| 456 | Y | A | 0.1118 | |
| 457 | G | A | -1.3664 | |
| 458 | R | A | -3.0076 | |
| 459 | R | A | -2.9568 | |
| 460 | S | A | -1.8720 | |
| 461 | K | A | -1.6163 | |
| 462 | F | A | 0.7340 | |
| 463 | G | A | 0.1232 | |
| 464 | M | A | 0.3395 | |
| 465 | K | A | -1.1418 | |
| 466 | G | A | -0.7705 | |
| 467 | P | A | 0.2934 | |
| 468 | V | A | 2.0116 | |
| 469 | A | A | 2.1449 | |
| 470 | V | A | 3.1301 | |
| 471 | I | A | 2.7101 | |
| 472 | S | A | 0.6799 | |
| 473 | G | A | -1.0781 | |
| 474 | E | A | -3.0101 | |
| 475 | E | A | -2.8573 | |
| 476 | D | A | -2.1846 | |
| 477 | S | A | -0.9505 | |
| 478 | A | A | -0.2033 | |
| 479 | S | A | -0.0421 | |
| 480 | P | A | 0.2592 | |
| 481 | L | A | 0.6698 | |
| 482 | H | A | -0.3662 | |
| 483 | H | A | -0.3655 | |
| 484 | I | A | 0.4584 | |
| 485 | N | A | -1.1358 | |
| 486 | H | A | -1.0292 | |
| 487 | G | A | -0.3790 | |
| 488 | I | A | 1.5304 | |
| 489 | T | A | 0.7026 | |
| 490 | T | A | 0.0672 | |
| 491 | P | A | -0.4713 | |
| 492 | S | A | -0.1711 | |
| 493 | S | A | -0.0277 | |
| 494 | L | A | 0.5515 | |
| 495 | D | A | -1.1641 | |
| 496 | A | A | -0.8126 | |
| 497 | G | A | -1.3391 | |
| 498 | P | A | -1.1535 | |
| 499 | D | A | -1.6380 | |
| 500 | T | A | 0.1688 | |
| 501 | V | A | 2.6538 | |
| 502 | V | A | 3.6753 | |
| 503 | I | A | 3.3774 | |
| 504 | G | A | 1.2283 | |
| 505 | M | A | 1.1418 | |
| 506 | T | A | 0.1462 | |
| 507 | R | A | -0.5466 | |
| 508 | I | A | 1.7072 | |
| 509 | P | A | 1.3903 | |
| 510 | V | A | 2.1730 | |
| 511 | I | A | 2.0935 | |
| 512 | E | A | -0.1727 | |
| 513 | N | A | -0.3915 | |
| 514 | P | A | -0.5097 | |
| 515 | Q | A | -1.2856 | |
| 516 | Y | A | 0.3649 | |
| 517 | F | A | 0.5347 | |
| 518 | R | A | -1.6920 | |
| 519 | Q | A | -2.4165 | |
| 520 | G | A | -1.7747 | |
| 521 | H | A | -2.3369 | |
| 522 | N | A | -2.1186 | |
| 523 | C | A | -1.5127 | |
| 524 | H | A | -2.3164 | |
| 525 | K | A | -2.9012 | |
| 526 | P | A | -1.9870 | |
| 527 | D | A | -2.1450 | |
| 528 | T | A | -0.9589 | |
| 529 | Y | A | 0.1878 | |
| 530 | V | A | -0.3646 | |
| 531 | Q | A | -1.0148 | |
| 532 | H | A | -1.5245 | |
| 533 | I | A | 0.0000 | |
| 534 | K | A | -2.3715 | |
| 535 | R | A | -2.2742 | |
| 536 | R | A | -2.1751 | |
| 537 | D | A | 0.0000 | |
| 538 | I | A | 0.0000 | |
| 539 | V | A | 0.6887 | |
| 540 | L | A | 0.5908 | |
| 541 | K | A | -1.5384 | |
| 542 | R | A | -1.9100 | |
| 543 | E | A | -1.7596 | |
| 544 | L | A | -0.5285 | |
| 545 | G | A | -1.1419 | |
| 546 | E | A | -2.1751 | |
| 547 | G | A | -1.4112 | |
| 548 | A | A | -0.5694 | |
| 549 | F | A | -0.5252 | |
| 550 | G | A | -1.4883 | |
| 551 | K | A | -1.8289 | |
| 552 | V | A | 0.0000 | |
| 553 | F | A | -0.4673 | |
| 554 | L | A | 0.0000 | |
| 555 | A | A | 0.0000 | |
| 556 | E | A | 0.0448 | |
| 557 | C | A | 0.0000 | |
| 558 | Y | A | -1.6552 | |
| 559 | N | A | -2.4754 | |
| 560 | L | A | -1.3977 | |
| 561 | S | A | -1.7047 | |
| 562 | P | A | -1.3259 | |
| 563 | T | A | -1.9021 | |
| 564 | K | A | -3.3344 | |
| 565 | D | A | -3.4582 | |
| 566 | K | A | -2.3831 | |
| 567 | M | A | -0.8847 | |
| 568 | L | A | 0.4238 | |
| 569 | V | A | 0.0000 | |
| 570 | A | A | 0.0000 | |
| 571 | V | A | 0.0000 | |
| 572 | K | A | 0.0000 | |
| 573 | A | A | 0.0000 | |
| 574 | L | A | -1.3695 | |
| 575 | K | A | -2.3387 | |
| 576 | D | A | -1.6585 | |
| 577 | P | A | -1.1417 | |
| 578 | T | A | -0.2620 | |
| 579 | L | A | 0.6938 | |
| 580 | A | A | -0.1806 | |
| 581 | A | A | -0.9727 | |
| 582 | R | A | -1.6143 | |
| 583 | K | A | -2.1734 | |
| 584 | D | A | -1.8561 | |
| 585 | F | A | 0.0000 | |
| 586 | Q | A | -2.1708 | |
| 587 | R | A | -1.7599 | |
| 588 | E | A | -0.8945 | |
| 589 | A | A | 0.0000 | |
| 590 | E | A | -1.2244 | |
| 591 | L | A | -0.4404 | |
| 592 | L | A | -0.9062 | |
| 593 | T | A | -0.8810 | |
| 594 | N | A | -1.5078 | |
| 595 | L | A | 0.0000 | |
| 596 | Q | A | -2.1726 | |
| 597 | H | A | -1.9511 | |
| 598 | E | A | -2.2483 | |
| 599 | H | A | -1.1607 | |
| 600 | I | A | 0.0000 | |
| 601 | V | A | 0.0000 | |
| 602 | K | A | -1.2897 | |
| 603 | F | A | 0.0000 | |
| 604 | Y | A | -0.2382 | |
| 605 | G | A | 0.0000 | |
| 606 | V | A | -0.8590 | |
| 607 | C | A | 0.0000 | |
| 608 | G | A | -1.6995 | |
| 609 | D | A | -1.9559 | |
| 610 | G | A | -1.8554 | |
| 611 | D | A | -2.5959 | |
| 612 | P | A | -1.8880 | |
| 613 | L | A | -1.3960 | |
| 614 | I | A | 0.0000 | |
| 615 | M | A | 0.0000 | |
| 616 | V | A | 0.0000 | |
| 617 | F | A | 0.0000 | |
| 618 | E | A | -0.2829 | |
| 619 | Y | A | -0.1888 | |
| 620 | M | A | 0.0000 | |
| 621 | K | A | -1.8787 | |
| 622 | H | A | -1.6151 | |
| 623 | G | A | -1.1608 | |
| 624 | D | A | -1.0247 | |
| 625 | L | A | 0.0000 | |
| 626 | N | A | 0.0000 | |
| 627 | K | A | -2.2009 | |
| 628 | F | A | 0.0000 | |
| 629 | L | A | 0.0000 | |
| 630 | R | A | -1.8396 | |
| 631 | A | A | -1.1461 | |
| 632 | H | A | 0.0000 | |
| 633 | G | A | 0.0000 | |
| 634 | P | A | -0.9809 | |
| 635 | D | A | -0.5686 | |
| 636 | A | A | 0.7717 | |
| 637 | M | A | 1.9286 | |
| 638 | I | A | 2.7455 | |
| 639 | L | A | 2.5346 | |
| 640 | V | A | 1.4965 | |
| 641 | D | A | -0.6040 | |
| 642 | G | A | -0.9017 | |
| 643 | Q | A | -1.6441 | |
| 644 | P | A | -1.7002 | |
| 645 | R | A | -2.6954 | |
| 646 | Q | A | -2.7492 | |
| 647 | A | A | -2.2256 | |
| 648 | K | A | -2.8960 | |
| 649 | G | A | -2.4084 | |
| 650 | E | A | -2.6560 | |
| 651 | L | A | 0.0000 | |
| 652 | G | A | -1.0049 | |
| 653 | L | A | -0.0253 | |
| 654 | S | A | -1.0896 | |
| 655 | Q | A | -1.3583 | |
| 656 | M | A | 0.0000 | |
| 657 | L | A | 0.0000 | |
| 658 | H | A | -1.4966 | |
| 659 | I | A | 0.0000 | |
| 660 | A | A | 0.0000 | |
| 661 | S | A | -0.6402 | |
| 662 | Q | A | 0.0000 | |
| 663 | I | A | 0.0000 | |
| 664 | A | A | 0.0000 | |
| 665 | S | A | -0.5050 | |
| 666 | G | A | 0.0000 | |
| 667 | M | A | 0.0000 | |
| 668 | V | A | -0.2360 | |
| 669 | Y | A | -0.5333 | |
| 670 | L | A | 0.0000 | |
| 671 | A | A | -0.5699 | |
| 672 | S | A | -0.7028 | |
| 673 | Q | A | -1.0671 | |
| 674 | H | A | -1.0934 | |
| 675 | F | A | -0.2191 | |
| 676 | V | A | 0.0815 | |
| 677 | H | A | 0.0000 | |
| 678 | R | A | -0.2886 | |
| 679 | D | A | 0.0000 | |
| 680 | L | A | 0.0000 | |
| 681 | A | A | 0.0000 | |
| 682 | T | A | 0.0000 | |
| 683 | R | A | 0.0000 | |
| 684 | N | A | 0.0000 | |
| 685 | C | A | 0.0000 | |
| 686 | L | A | -0.4873 | |
| 687 | V | A | 0.0000 | |
| 688 | G | A | 0.0000 | |
| 689 | A | A | -0.8351 | |
| 690 | N | A | -0.9767 | |
| 691 | L | A | -0.4411 | |
| 692 | L | A | -0.1249 | |
| 693 | V | A | 0.0000 | |
| 694 | K | A | 0.0000 | |
| 695 | I | A | 0.0000 | |
| 696 | G | A | 0.0000 | |
| 697 | D | A | -1.6243 | |
| 698 | F | A | -0.7583 | |
| 699 | G | A | -0.7266 | |
| 700 | M | A | -0.7253 | |
| 701 | S | A | -0.4252 | |
| 702 | R | A | 0.0000 | |
| 703 | D | A | -1.3434 | |
| 704 | V | A | 0.7022 | |
| 705 | Y | A | 0.3393 | |
| 706 | S | A | -0.1781 | |
| 707 | T | A | 0.0505 | |
| 708 | D | A | 0.0000 | |
| 709 | Y | A | 0.0000 | |
| 710 | Y | A | -0.3362 | |
| 711 | R | A | -1.0154 | |
| 712 | E | A | -0.2486 | |
| 713 | G | A | 0.0432 | |
| 714 | P | A | 0.5281 | |
| 715 | Y | A | 0.8587 | |
| 716 | Q | A | -0.7188 | |
| 717 | K | A | -1.7333 | |
| 718 | G | A | -0.8244 | |
| 719 | P | A | 0.2390 | |
| 720 | F | A | 1.7438 | |
| 721 | S | A | 1.6530 | |
| 722 | V | A | 2.0833 | |
| 723 | S | A | 0.6592 | |
| 724 | W | A | -0.0112 | |
| 725 | Q | A | -1.5339 | |
| 726 | Q | A | -2.2626 | |
| 727 | Q | A | -2.2400 | |
| 728 | R | A | -2.1049 | |
| 729 | L | A | -0.0581 | |
| 730 | A | A | 0.0212 | |
| 731 | A | A | -0.0780 | |
| 732 | S | A | -0.0842 | |
| 733 | A | A | -0.0412 | |
| 734 | A | A | -0.0720 | |
| 735 | S | A | 0.0650 | |
| 736 | T | A | 0.9643 | |
| 737 | L | A | 2.1350 | |
| 738 | F | A | 1.8670 | |
| 739 | N | A | -0.0731 | |
| 740 | P | A | -0.6167 | |
| 741 | S | A | -0.9298 | |
| 742 | G | A | -1.8334 | |
| 743 | N | A | -2.1533 | |
| 744 | D | A | -2.0128 | |
| 745 | F | A | 0.2206 | |
| 746 | C | A | 0.5786 | |
| 747 | I | A | 0.5250 | |
| 748 | W | A | 0.6136 | |
| 749 | C | A | 0.2247 | |
| 750 | E | A | -1.2468 | |
| 751 | V | A | 0.0530 | |
| 752 | G | A | -0.5279 | |
| 753 | G | A | -0.8399 | |
| 754 | H | A | 0.0000 | |
| 755 | T | A | -0.5378 | |
| 756 | M | A | -0.3158 | |
| 757 | L | A | 0.0000 | |
| 758 | P | A | 0.0000 | |
| 759 | I | A | 0.0000 | |
| 760 | R | A | 0.0000 | |
| 761 | W | A | 0.0000 | |
| 762 | M | A | 0.0000 | |
| 763 | P | A | 0.0000 | |
| 764 | P | A | 0.0000 | |
| 765 | E | A | 0.0000 | |
| 766 | S | A | 0.0000 | |
| 767 | I | A | 0.0000 | |
| 768 | M | A | 0.6575 | |
| 769 | Y | A | 0.9809 | |
| 770 | R | A | 0.3460 | |
| 771 | K | A | -0.0285 | |
| 772 | F | A | 0.2386 | |
| 773 | T | A | -0.1270 | |
| 774 | T | A | -0.4090 | |
| 775 | E | A | -1.3142 | |
| 776 | S | A | 0.0000 | |
| 777 | D | A | 0.0000 | |
| 778 | V | A | 0.0000 | |
| 779 | W | A | 0.0000 | |
| 780 | S | A | 0.0000 | |
| 781 | F | A | 0.0000 | |
| 782 | G | A | 0.0000 | |
| 783 | V | A | 0.0000 | |
| 784 | I | A | 0.0000 | |
| 785 | L | A | 0.0000 | |
| 786 | W | A | 0.0000 | |
| 787 | E | A | 0.0000 | |
| 788 | I | A | 0.0000 | |
| 789 | F | A | 0.0000 | |
| 790 | T | A | -0.5919 | |
| 791 | Y | A | -1.2146 | |
| 792 | G | A | 0.0000 | |
| 793 | K | A | -1.2022 | |
| 794 | Q | A | -0.3378 | |
| 795 | P | A | 0.0000 | |
| 796 | W | A | 0.0015 | |
| 797 | F | A | 0.6612 | |
| 798 | Q | A | -0.5189 | |
| 799 | L | A | -0.2688 | |
| 800 | S | A | -0.6180 | |
| 801 | N | A | -0.6793 | |
| 802 | T | A | -0.9553 | |
| 803 | E | A | -1.7692 | |
| 804 | V | A | 0.0000 | |
| 805 | I | A | -0.8857 | |
| 806 | E | A | -2.2930 | |
| 807 | C | A | 0.0000 | |
| 808 | I | A | 0.0000 | |
| 809 | T | A | -1.4915 | |
| 810 | Q | A | -2.1456 | |
| 811 | G | A | -1.8991 | |
| 812 | R | A | -2.1012 | |
| 813 | V | A | -0.7026 | |
| 814 | L | A | 0.0000 | |
| 815 | E | A | -2.1444 | |
| 816 | R | A | -2.0711 | |
| 817 | P | A | 0.0000 | |
| 818 | R | A | -2.0687 | |
| 819 | V | A | 0.1527 | |
| 820 | C | A | 0.0000 | |
| 821 | P | A | 0.0000 | |
| 822 | K | A | -2.5738 | |
| 823 | E | A | -2.0175 | |
| 824 | V | A | 0.0000 | |
| 825 | Y | A | -1.8036 | |
| 826 | D | A | -2.3598 | |
| 827 | V | A | 0.0000 | |
| 828 | M | A | 0.0000 | |
| 829 | L | A | -0.3002 | |
| 830 | G | A | -0.7509 | |
| 831 | C | A | 0.0000 | |
| 832 | W | A | 0.0000 | |
| 833 | Q | A | -2.0068 | |
| 834 | R | A | -2.9678 | |
| 835 | E | A | -3.2430 | |
| 836 | P | A | -2.3670 | |
| 837 | Q | A | -2.6978 | |
| 838 | Q | A | -2.7673 | |
| 839 | R | A | 0.0000 | |
| 840 | L | A | -0.9362 | |
| 841 | N | A | -1.6208 | |
| 842 | I | A | 0.0000 | |
| 843 | K | A | -1.6149 | |
| 844 | E | A | -1.8277 | |
| 845 | I | A | 0.0000 | |
| 846 | Y | A | -0.9578 | |
| 847 | K | A | -1.8995 | |
| 848 | I | A | -0.4773 | |
| 849 | L | A | 0.0000 | |
| 850 | H | A | -1.3818 | |
| 851 | A | A | -0.8129 | |
| 852 | L | A | -0.7518 | |
| 853 | G | A | -1.4382 | |
| 854 | K | A | -1.9286 | |
| 855 | A | A | -0.5849 | |
| 856 | T | A | 0.0478 | |
| 857 | P | A | 0.9176 | |
| 858 | I | A | 2.6636 | |
| 859 | Y | A | 2.4907 | |
| 860 | L | A | 2.7010 | |
| 861 | D | A | 1.0092 | |
| 862 | I | A | 2.5180 | |
| 863 | L | A | 2.0956 | |
| 864 | G | A | 0.2276 |
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 | -0.0999 | 8.0539 | View | CSV | PDB |
| 4.5 | -0.1601 | 8.0544 | View | CSV | PDB |
| 5.0 | -0.2329 | 8.0561 | View | CSV | PDB |
| 5.5 | -0.3042 | 8.0611 | View | CSV | PDB |
| 6.0 | -0.3605 | 8.0734 | View | CSV | PDB |
| 6.5 | -0.3942 | 8.0975 | View | CSV | PDB |
| 7.0 | -0.4068 | 8.1323 | View | CSV | PDB |
| 7.5 | -0.4066 | 8.1729 | View | CSV | PDB |
| 8.0 | -0.3997 | 8.2159 | View | CSV | PDB |
| 8.5 | -0.3868 | 8.2596 | View | CSV | PDB |
| 9.0 | -0.3663 | 8.3033 | 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