| Chain sequence(s) | MSDSLDNEEKPPAPPLRMNSNNRDSSALNHSSKPLPMAPEEKNKKARLRSIFPGGGDKTNKKKEKERPEISLPSDFEHTIHVGFDAVTGEFTPDLYGSQMCPGKLPEGIPEQWARLLQTSNITKLEQKKNPQAVLDVLKFYDSKETVNNQKYMSFTSGDKSAHGYIAAHQSNTKTASEPPLAPPVSEEEDEEEEEEEDDNEPPPVIAPRPEHTKSIYTRSVVESIASPAAPNKEDIPPSAENANSTTLYRNTDRQRKKSKMTDEEILEKLRSIVSVGDPKKKYTRFEKIGQGASGTVYTALDIATGQEVAIKQMNLQQQPKKELIINEILVMRENKNPNIVNYLDSYLVGDELWVVMEYLAGGSLTDVVTETCMDEGQIAAVCRECLQALDFLHSNQVIHRDIKSDNILLGMDGSVKLTDFGFCAQITPEQSKRSTMVGTPYWMAPEVVTRKAYGPKVDIWSLGIMAIEMVEGEPPYLNENPLRALYLIATNGTPELQNPERLSAVFRDFLNRCLEMDVDRRGSAKELLQHPFLKLAKPLSSLTPLIIAAKEAIKNSSR 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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:16:29)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/765ce0e4241e22/tmp/folded.pdb (00:16:29)
[INFO] Main: Simulation completed successfully. (00:25:46)
|
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 | 0.5239 | |
| 2 | S | A | -0.5742 | |
| 3 | D | A | -1.3752 | |
| 4 | S | A | -0.8482 | |
| 5 | L | A | -0.1999 | |
| 6 | D | A | -2.2996 | |
| 7 | N | A | -3.3822 | |
| 8 | E | A | -4.1817 | |
| 9 | E | A | -4.1577 | |
| 10 | K | A | -3.3877 | |
| 11 | P | A | -1.8541 | |
| 12 | P | A | -1.0498 | |
| 13 | A | A | -0.2969 | |
| 14 | P | A | -0.2941 | |
| 15 | P | A | 0.0138 | |
| 16 | L | A | 0.6299 | |
| 17 | R | A | -1.0301 | |
| 18 | M | A | -0.2738 | |
| 19 | N | A | -1.5635 | |
| 20 | S | A | -1.6707 | |
| 21 | N | A | -2.6156 | |
| 22 | N | A | -3.4545 | |
| 23 | R | A | -3.7339 | |
| 24 | D | A | -3.1993 | |
| 25 | S | A | -1.5848 | |
| 26 | S | A | -0.3166 | |
| 27 | A | A | 0.4342 | |
| 28 | L | A | 0.7181 | |
| 29 | N | A | -1.0663 | |
| 30 | H | A | -1.4591 | |
| 31 | S | A | -1.4754 | |
| 32 | S | A | -1.5055 | |
| 33 | K | A | -1.6735 | |
| 34 | P | A | -0.3133 | |
| 35 | L | A | 1.1470 | |
| 36 | P | A | 0.7347 | |
| 37 | M | A | 1.0058 | |
| 38 | A | A | 0.0142 | |
| 39 | P | A | -1.3109 | |
| 40 | E | A | -3.0951 | |
| 41 | E | A | -3.8473 | |
| 42 | K | A | -3.9955 | |
| 43 | N | A | -3.7734 | |
| 44 | K | A | -3.5933 | |
| 45 | K | A | -3.1370 | |
| 46 | A | A | -1.6900 | |
| 47 | R | A | -1.7004 | |
| 48 | L | A | -0.3738 | |
| 49 | R | A | -1.2014 | |
| 50 | S | A | 0.4015 | |
| 51 | I | A | 2.4083 | |
| 52 | F | A | 2.6182 | |
| 53 | P | A | 0.8674 | |
| 54 | G | A | -0.5086 | |
| 55 | G | A | -1.4246 | |
| 56 | G | A | -2.0909 | |
| 57 | D | A | -2.9490 | |
| 58 | K | A | -3.1163 | |
| 59 | T | A | -2.2738 | |
| 60 | N | A | -2.8615 | |
| 61 | K | A | -3.9585 | |
| 62 | K | A | -4.2655 | |
| 63 | K | A | -4.4668 | |
| 64 | E | A | -4.7863 | |
| 65 | K | A | -4.5910 | |
| 66 | E | A | -4.4883 | |
| 67 | R | A | -3.7260 | |
| 68 | P | A | -2.1904 | |
| 69 | E | A | -1.5774 | |
| 70 | I | A | 1.0499 | |
| 71 | S | A | 0.9403 | |
| 72 | L | A | 1.5515 | |
| 73 | P | A | 0.6057 | |
| 74 | S | A | -0.5311 | |
| 75 | D | A | -1.6338 | |
| 76 | F | A | -0.1825 | |
| 77 | E | A | -1.7698 | |
| 78 | H | A | -1.5721 | |
| 79 | T | A | -0.6389 | |
| 80 | I | A | -0.2281 | |
| 81 | H | A | -0.5998 | |
| 82 | V | A | 0.0000 | |
| 83 | G | A | -0.4635 | |
| 84 | F | A | -0.7011 | |
| 85 | D | A | -0.6016 | |
| 86 | A | A | -0.1109 | |
| 87 | V | A | 1.1937 | |
| 88 | T | A | -0.0714 | |
| 89 | G | A | -1.1539 | |
| 90 | E | A | -2.1175 | |
| 91 | F | A | 0.0000 | |
| 92 | T | A | -0.8718 | |
| 93 | P | A | -0.3093 | |
| 94 | D | A | 0.1504 | |
| 95 | L | A | 1.2395 | |
| 96 | Y | A | 1.2314 | |
| 97 | G | A | -0.0445 | |
| 98 | S | A | -0.2467 | |
| 99 | Q | A | -0.3692 | |
| 100 | M | A | 0.7698 | |
| 101 | C | A | 0.4528 | |
| 102 | P | A | -0.2033 | |
| 103 | G | A | -0.7152 | |
| 104 | K | A | -1.2555 | |
| 105 | L | A | 0.0928 | |
| 106 | P | A | -0.4651 | |
| 107 | E | A | -1.9193 | |
| 108 | G | A | -1.2698 | |
| 109 | I | A | -1.2798 | |
| 110 | P | A | -1.4915 | |
| 111 | E | A | -2.7026 | |
| 112 | Q | A | -2.0958 | |
| 113 | W | A | 0.0000 | |
| 114 | A | A | -1.8252 | |
| 115 | R | A | -2.7172 | |
| 116 | L | A | -1.5943 | |
| 117 | L | A | -1.6496 | |
| 118 | Q | A | -2.2500 | |
| 119 | T | A | -1.4195 | |
| 120 | S | A | 0.0000 | |
| 121 | N | A | -1.9362 | |
| 122 | I | A | 0.0000 | |
| 123 | T | A | -1.3816 | |
| 124 | K | A | -2.2509 | |
| 125 | L | A | -0.4456 | |
| 126 | E | A | -1.5054 | |
| 127 | Q | A | -2.1073 | |
| 128 | K | A | -2.6099 | |
| 129 | K | A | -2.6208 | |
| 130 | N | A | -1.7638 | |
| 131 | P | A | -1.9486 | |
| 132 | Q | A | -1.6813 | |
| 133 | A | A | -1.0358 | |
| 134 | V | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | D | A | -0.8877 | |
| 137 | V | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | K | A | -1.0115 | |
| 140 | F | A | 0.0000 | |
| 141 | Y | A | -1.1471 | |
| 142 | D | A | -1.9438 | |
| 143 | S | A | -1.4095 | |
| 144 | K | A | -1.9181 | |
| 145 | E | A | -2.7779 | |
| 146 | T | A | -1.7053 | |
| 147 | V | A | -1.7112 | |
| 148 | N | A | -2.8206 | |
| 149 | N | A | -3.0641 | |
| 150 | Q | A | -2.4221 | |
| 151 | K | A | -2.5736 | |
| 152 | Y | A | -0.6910 | |
| 153 | M | A | -0.4047 | |
| 154 | S | A | -0.3652 | |
| 155 | F | A | -0.0148 | |
| 156 | T | A | -0.7390 | |
| 157 | S | A | -1.4343 | |
| 158 | G | A | -2.3893 | |
| 159 | D | A | -3.2542 | |
| 160 | K | A | -2.9190 | |
| 161 | S | A | -1.8689 | |
| 162 | A | A | -1.2197 | |
| 163 | H | A | -1.0046 | |
| 164 | G | A | 0.1343 | |
| 165 | Y | A | 2.0697 | |
| 166 | I | A | 2.5928 | |
| 167 | A | A | 1.1341 | |
| 168 | A | A | -0.1407 | |
| 169 | H | A | -1.5705 | |
| 170 | Q | A | -2.0477 | |
| 171 | S | A | -1.7242 | |
| 172 | N | A | -2.0120 | |
| 173 | T | A | -1.6365 | |
| 174 | K | A | -2.0151 | |
| 175 | T | A | -1.0180 | |
| 176 | A | A | -0.8673 | |
| 177 | S | A | -1.1214 | |
| 178 | E | A | -2.0796 | |
| 179 | P | A | -0.9723 | |
| 180 | P | A | 0.0219 | |
| 181 | L | A | 1.3486 | |
| 182 | A | A | 0.5601 | |
| 183 | P | A | 0.3023 | |
| 184 | P | A | 0.4133 | |
| 185 | V | A | 1.0474 | |
| 186 | S | A | -0.6134 | |
| 187 | E | A | -2.7065 | |
| 188 | E | A | -4.0091 | |
| 189 | E | A | -4.2935 | |
| 190 | D | A | -4.3176 | |
| 191 | E | A | -4.3108 | |
| 192 | E | A | -4.3381 | |
| 193 | E | A | -4.5778 | |
| 194 | E | A | -4.6472 | |
| 195 | E | A | -4.6849 | |
| 196 | E | A | -4.9900 | |
| 197 | E | A | -4.9418 | |
| 198 | D | A | -4.8904 | |
| 199 | D | A | -4.6093 | |
| 200 | N | A | -3.9291 | |
| 201 | E | A | -3.4158 | |
| 202 | P | A | -1.5944 | |
| 203 | P | A | -0.6133 | |
| 204 | P | A | 0.3052 | |
| 205 | V | A | 1.7852 | |
| 206 | I | A | 1.3171 | |
| 207 | A | A | 0.7156 | |
| 208 | P | A | -0.1119 | |
| 209 | R | A | 0.0000 | |
| 210 | P | A | -1.6369 | |
| 211 | E | A | -2.8427 | |
| 212 | H | A | -2.3373 | |
| 213 | T | A | -1.7746 | |
| 214 | K | A | -2.1419 | |
| 215 | S | A | 0.0000 | |
| 216 | I | A | 0.4639 | |
| 217 | Y | A | 0.8946 | |
| 218 | T | A | -0.2029 | |
| 219 | R | A | -0.6019 | |
| 220 | S | A | 0.4025 | |
| 221 | V | A | 1.8264 | |
| 222 | V | A | 1.3943 | |
| 223 | E | A | -0.1792 | |
| 224 | S | A | 0.4730 | |
| 225 | I | A | 1.4857 | |
| 226 | A | A | 0.6295 | |
| 227 | S | A | 0.1110 | |
| 228 | P | A | -0.1197 | |
| 229 | A | A | -0.1385 | |
| 230 | A | A | -0.3417 | |
| 231 | P | A | -1.1745 | |
| 232 | N | A | -2.6659 | |
| 233 | K | A | -3.6650 | |
| 234 | E | A | -3.4285 | |
| 235 | D | A | -2.2345 | |
| 236 | I | A | 0.6072 | |
| 237 | P | A | 0.3180 | |
| 238 | P | A | -0.0257 | |
| 239 | S | A | -0.6915 | |
| 240 | A | A | -1.2125 | |
| 241 | E | A | -2.4489 | |
| 242 | N | A | -2.3890 | |
| 243 | A | A | -1.6891 | |
| 244 | N | A | -1.6356 | |
| 245 | S | A | -0.9411 | |
| 246 | T | A | -0.1945 | |
| 247 | T | A | 0.6826 | |
| 248 | L | A | 1.6605 | |
| 249 | Y | A | 1.0144 | |
| 250 | R | A | -1.4889 | |
| 251 | N | A | -2.1725 | |
| 252 | T | A | -2.6272 | |
| 253 | D | A | -3.5265 | |
| 254 | R | A | -4.0003 | |
| 255 | Q | A | -4.1377 | |
| 256 | R | A | -4.3944 | |
| 257 | K | A | -4.2854 | |
| 258 | K | A | -3.6554 | |
| 259 | S | A | -2.4993 | |
| 260 | K | A | -3.0083 | |
| 261 | M | A | -2.4091 | |
| 262 | T | A | -2.5840 | |
| 263 | D | A | -3.7898 | |
| 264 | E | A | -3.8202 | |
| 265 | E | A | -4.0668 | |
| 266 | I | A | 0.0000 | |
| 267 | L | A | -3.0830 | |
| 268 | E | A | -3.7615 | |
| 269 | K | A | -2.8628 | |
| 270 | L | A | 0.0000 | |
| 271 | R | A | -1.7155 | |
| 272 | S | A | -1.1376 | |
| 273 | I | A | 0.0000 | |
| 274 | V | A | 0.1318 | |
| 275 | S | A | 0.4671 | |
| 276 | V | A | 1.3416 | |
| 277 | G | A | -0.3689 | |
| 278 | D | A | -1.4911 | |
| 279 | P | A | 0.0000 | |
| 280 | K | A | -2.8162 | |
| 281 | K | A | -2.7539 | |
| 282 | K | A | -1.5034 | |
| 283 | Y | A | 0.0000 | |
| 284 | T | A | -1.2940 | |
| 285 | R | A | -2.0468 | |
| 286 | F | A | -1.2347 | |
| 287 | E | A | -2.4055 | |
| 288 | K | A | -2.3454 | |
| 289 | I | A | -0.8570 | |
| 290 | G | A | 0.0000 | |
| 291 | Q | A | -1.4683 | |
| 292 | G | A | -1.2611 | |
| 293 | A | A | -1.6141 | |
| 294 | S | A | -1.2162 | |
| 295 | G | A | -0.7796 | |
| 296 | T | A | -0.7560 | |
| 297 | V | A | -0.4772 | |
| 298 | Y | A | -0.8273 | |
| 299 | T | A | 0.0000 | |
| 300 | A | A | 0.0000 | |
| 301 | L | A | -0.7614 | |
| 302 | D | A | 0.0000 | |
| 303 | I | A | 0.7314 | |
| 304 | A | A | 0.6474 | |
| 305 | T | A | -0.1984 | |
| 306 | G | A | -0.4901 | |
| 307 | Q | A | -1.5539 | |
| 308 | E | A | -2.1200 | |
| 309 | V | A | 0.0000 | |
| 310 | A | A | 0.0000 | |
| 311 | I | A | 0.0000 | |
| 312 | K | A | 0.0000 | |
| 313 | Q | A | -0.3823 | |
| 314 | M | A | 0.0000 | |
| 315 | N | A | -1.8718 | |
| 316 | L | A | 0.0000 | |
| 317 | Q | A | -2.6327 | |
| 318 | Q | A | -2.4518 | |
| 319 | Q | A | 0.0000 | |
| 320 | P | A | -1.7782 | |
| 321 | K | A | -1.8714 | |
| 322 | K | A | -1.9012 | |
| 323 | E | A | -2.3514 | |
| 324 | L | A | -0.8293 | |
| 325 | I | A | 0.0000 | |
| 326 | I | A | 0.0000 | |
| 327 | N | A | -1.1733 | |
| 328 | E | A | 0.0000 | |
| 329 | I | A | 0.0000 | |
| 330 | L | A | -0.7969 | |
| 331 | V | A | 0.0000 | |
| 332 | M | A | 0.0000 | |
| 333 | R | A | -2.5075 | |
| 334 | E | A | -2.9154 | |
| 335 | N | A | 0.0000 | |
| 336 | K | A | -2.7716 | |
| 337 | N | A | -1.5218 | |
| 338 | P | A | -0.9329 | |
| 339 | N | A | 0.0000 | |
| 340 | I | A | 0.0000 | |
| 341 | V | A | 0.0000 | |
| 342 | N | A | -1.1260 | |
| 343 | Y | A | 0.0000 | |
| 344 | L | A | 0.2935 | |
| 345 | D | A | -0.0934 | |
| 346 | S | A | 0.0000 | |
| 347 | Y | A | 0.0000 | |
| 348 | L | A | -0.1299 | |
| 349 | V | A | -0.4821 | |
| 350 | G | A | -0.9993 | |
| 351 | D | A | -2.0670 | |
| 352 | E | A | -1.5899 | |
| 353 | L | A | 0.0000 | |
| 354 | W | A | 0.0000 | |
| 355 | V | A | 0.0000 | |
| 356 | V | A | 0.0000 | |
| 357 | M | A | 0.0000 | |
| 358 | E | A | -0.5464 | |
| 359 | Y | A | -0.2937 | |
| 360 | L | A | 0.0000 | |
| 361 | A | A | -0.1520 | |
| 362 | G | A | 0.0000 | |
| 363 | G | A | 0.2223 | |
| 364 | S | A | 0.0000 | |
| 365 | L | A | 0.0000 | |
| 366 | T | A | -0.1941 | |
| 367 | D | A | -0.3251 | |
| 368 | V | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | T | A | -0.3991 | |
| 371 | E | A | -0.9571 | |
| 372 | T | A | 0.0000 | |
| 373 | C | A | -0.0218 | |
| 374 | M | A | -0.5182 | |
| 375 | D | A | -1.7224 | |
| 376 | E | A | -1.0533 | |
| 377 | G | A | 0.0000 | |
| 378 | Q | A | 0.0000 | |
| 379 | I | A | 0.0000 | |
| 380 | A | A | 0.0000 | |
| 381 | A | A | 0.0000 | |
| 382 | V | A | 0.0000 | |
| 383 | C | A | 0.0000 | |
| 384 | R | A | -0.7635 | |
| 385 | E | A | 0.0000 | |
| 386 | C | A | 0.0000 | |
| 387 | L | A | 0.0000 | |
| 388 | Q | A | -0.8430 | |
| 389 | A | A | 0.0000 | |
| 390 | L | A | 0.0000 | |
| 391 | D | A | -1.1108 | |
| 392 | F | A | -0.6923 | |
| 393 | L | A | 0.0000 | |
| 394 | H | A | -1.0360 | |
| 395 | S | A | -0.9788 | |
| 396 | N | A | -1.5056 | |
| 397 | Q | A | -1.2527 | |
| 398 | V | A | 0.0000 | |
| 399 | I | A | 0.0000 | |
| 400 | H | A | 0.0000 | |
| 401 | R | A | -0.1274 | |
| 402 | D | A | 0.0000 | |
| 403 | I | A | 0.0000 | |
| 404 | K | A | -0.1932 | |
| 405 | S | A | 0.0000 | |
| 406 | D | A | 0.0000 | |
| 407 | N | A | 0.0000 | |
| 408 | I | A | 0.0000 | |
| 409 | L | A | 0.1317 | |
| 410 | L | A | 0.0000 | |
| 411 | G | A | 0.0000 | |
| 412 | M | A | -0.2201 | |
| 413 | D | A | -1.5936 | |
| 414 | G | A | 0.0000 | |
| 415 | S | A | -0.5290 | |
| 416 | V | A | 0.0000 | |
| 417 | K | A | -0.3684 | |
| 418 | L | A | 0.0000 | |
| 419 | T | A | 0.0000 | |
| 420 | D | A | -0.7722 | |
| 421 | F | A | 0.0000 | |
| 422 | G | A | -0.4447 | |
| 423 | F | A | 0.0388 | |
| 424 | C | A | 0.0000 | |
| 425 | A | A | -0.8083 | |
| 426 | Q | A | -1.5959 | |
| 427 | I | A | 0.0000 | |
| 428 | T | A | -1.8527 | |
| 429 | P | A | -1.8304 | |
| 430 | E | A | -2.7905 | |
| 431 | Q | A | -2.9308 | |
| 432 | S | A | -2.4016 | |
| 433 | K | A | -2.9858 | |
| 434 | R | A | -2.0327 | |
| 435 | S | A | -1.3801 | |
| 436 | T | A | -0.6900 | |
| 437 | M | A | -0.3367 | |
| 438 | V | A | 0.2659 | |
| 439 | G | A | 0.0000 | |
| 440 | T | A | 0.0000 | |
| 441 | P | A | 0.0000 | |
| 442 | Y | A | 0.0000 | |
| 443 | W | A | 0.0000 | |
| 444 | M | A | 0.0000 | |
| 445 | A | A | 0.0000 | |
| 446 | P | A | 0.0000 | |
| 447 | E | A | 0.0000 | |
| 448 | V | A | 0.0000 | |
| 449 | V | A | 0.0000 | |
| 450 | T | A | -1.0666 | |
| 451 | R | A | -1.6587 | |
| 452 | K | A | -2.3240 | |
| 453 | A | A | -1.7120 | |
| 454 | Y | A | 0.0000 | |
| 455 | G | A | -1.2940 | |
| 456 | P | A | -0.7696 | |
| 457 | K | A | -0.6851 | |
| 458 | V | A | 0.0000 | |
| 459 | D | A | 0.0000 | |
| 460 | I | A | 0.0000 | |
| 461 | W | A | 0.0000 | |
| 462 | S | A | 0.0000 | |
| 463 | L | A | 0.0000 | |
| 464 | G | A | 0.0000 | |
| 465 | I | A | 0.0000 | |
| 466 | M | A | 0.0000 | |
| 467 | A | A | 0.0000 | |
| 468 | I | A | 0.0000 | |
| 469 | E | A | 0.0000 | |
| 470 | M | A | 0.0000 | |
| 471 | V | A | -0.4819 | |
| 472 | E | A | -0.7312 | |
| 473 | G | A | 0.0000 | |
| 474 | E | A | -0.4512 | |
| 475 | P | A | 0.0000 | |
| 476 | P | A | -0.6190 | |
| 477 | Y | A | -0.4359 | |
| 478 | L | A | 0.0000 | |
| 479 | N | A | -1.2898 | |
| 480 | E | A | -1.4483 | |
| 481 | N | A | -1.1559 | |
| 482 | P | A | -0.5158 | |
| 483 | L | A | 0.0000 | |
| 484 | R | A | -0.8203 | |
| 485 | A | A | 0.0000 | |
| 486 | L | A | 0.0000 | |
| 487 | Y | A | 0.0000 | |
| 488 | L | A | -0.3304 | |
| 489 | I | A | 0.0000 | |
| 490 | A | A | -0.5106 | |
| 491 | T | A | -0.9898 | |
| 492 | N | A | -1.4252 | |
| 493 | G | A | -0.8323 | |
| 494 | T | A | -1.0084 | |
| 495 | P | A | -1.4470 | |
| 496 | E | A | -2.2832 | |
| 497 | L | A | -1.9568 | |
| 498 | Q | A | -2.3117 | |
| 499 | N | A | -2.5447 | |
| 500 | P | A | -2.4774 | |
| 501 | E | A | -3.1527 | |
| 502 | R | A | -3.0769 | |
| 503 | L | A | 0.0000 | |
| 504 | S | A | -1.0131 | |
| 505 | A | A | -0.7650 | |
| 506 | V | A | -0.3581 | |
| 507 | F | A | 0.0000 | |
| 508 | R | A | -1.8566 | |
| 509 | D | A | -2.0066 | |
| 510 | F | A | 0.0000 | |
| 511 | L | A | 0.0000 | |
| 512 | N | A | -2.3409 | |
| 513 | R | A | -2.5948 | |
| 514 | C | A | 0.0000 | |
| 515 | L | A | 0.0000 | |
| 516 | E | A | -1.9027 | |
| 517 | M | A | -0.9629 | |
| 518 | D | A | -1.8009 | |
| 519 | V | A | -1.3551 | |
| 520 | D | A | -2.7182 | |
| 521 | R | A | -3.0544 | |
| 522 | R | A | 0.0000 | |
| 523 | G | A | 0.0000 | |
| 524 | S | A | -1.7421 | |
| 525 | A | A | 0.0000 | |
| 526 | K | A | -2.7713 | |
| 527 | E | A | -2.8900 | |
| 528 | L | A | 0.0000 | |
| 529 | L | A | -1.7222 | |
| 530 | Q | A | -2.2245 | |
| 531 | H | A | 0.0000 | |
| 532 | P | A | -0.9376 | |
| 533 | F | A | 0.0000 | |
| 534 | L | A | 0.0000 | |
| 535 | K | A | -1.8203 | |
| 536 | L | A | -0.7846 | |
| 537 | A | A | -1.1352 | |
| 538 | K | A | -1.4627 | |
| 539 | P | A | -0.6346 | |
| 540 | L | A | -0.5505 | |
| 541 | S | A | -0.8457 | |
| 542 | S | A | -0.7981 | |
| 543 | L | A | 0.0000 | |
| 544 | T | A | -0.1427 | |
| 545 | P | A | 0.3487 | |
| 546 | L | A | 0.0000 | |
| 547 | I | A | 0.0000 | |
| 548 | I | A | 0.5966 | |
| 549 | A | A | -0.3013 | |
| 550 | A | A | 0.0000 | |
| 551 | K | A | -1.3523 | |
| 552 | E | A | -2.3700 | |
| 553 | A | A | -1.6214 | |
| 554 | I | A | -1.6197 | |
| 555 | K | A | -2.6905 | |
| 556 | N | A | -2.9013 | |
| 557 | S | A | -1.9501 | |
| 558 | S | A | -2.3070 | |
| 559 | R | A | -2.5632 |
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 | -0.7743 | 6.3592 | View | CSV | PDB |
| 4.5 | -0.8638 | 6.3592 | View | CSV | PDB |
| 5.0 | -0.9765 | 6.3592 | View | CSV | PDB |
| 5.5 | -1.09 | 6.3592 | View | CSV | PDB |
| 6.0 | -1.1794 | 6.3592 | View | CSV | PDB |
| 6.5 | -1.2257 | 6.3592 | View | CSV | PDB |
| 7.0 | -1.2277 | 6.3592 | View | CSV | PDB |
| 7.5 | -1.1995 | 6.3592 | View | CSV | PDB |
| 8.0 | -1.1552 | 6.3592 | View | CSV | PDB |
| 8.5 | -1.1011 | 6.3592 | View | CSV | PDB |
| 9.0 | -1.0383 | 6.3592 | 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