| Chain sequence(s) | MSFRKEDGVSSLCQKALHIITELCFAGQVEWDKCSGIFPADRSGQGGGGTDISVSLLAVVVSFCGLALLVVSLFVFWKLCWPCWKSKLVAPNLSVLPQSISSAPTEVFETEEKKEVEENEKPAPKAIEPAIKISHTSPDIPAEVQTALKEHLIKHARVQRQTTEPTSSSRHNSFRRHLPRQMNVSSVDFSVGTEPILQRGETRTSIGRIKPELYKQKSVDSEGNRKDDVKTCGKLNFALQYDYENELLVVKIIKALDLPAKDFTGTSDPYVKIYLLPDRKKKFQTRVHRKTLNPLFDELFQFPVVYDQLSNRKLHFSIYDFDRFSRHDMIGEVILDNLFEVSDLSREATVWKDIHCATTESIDLGEIMFSLCYLPTAGRMTLTVIKCRNLKAMDITGSSDPYVKVSLMCEGRRLKKRKTTTKKNTLNPVYNEAIIFDIPPENVDQVSLCIAVMDYDRVGHNEVIGVCRTGLDAEGLGRDHWNEMLAYHRKPITHWHPLLELPGRATSFDSQGSCSSPRPPSTP 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 (00:11:36)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e5eae43f6f2aa/tmp/folded.pdb (00:11:36)
[INFO] Main: Simulation completed successfully. (00:18:43)
|
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 | 1.3762 | |
| 2 | S | A | 0.6571 | |
| 3 | F | A | 0.5868 | |
| 4 | R | A | -2.6164 | |
| 5 | K | A | -3.3855 | |
| 6 | E | A | -3.5228 | |
| 7 | D | A | -3.1123 | |
| 8 | G | A | -1.2565 | |
| 9 | V | A | 0.7916 | |
| 10 | S | A | -0.1347 | |
| 11 | S | A | -0.3334 | |
| 12 | L | A | 1.1511 | |
| 13 | C | A | 0.9318 | |
| 14 | Q | A | -0.6331 | |
| 15 | K | A | -1.0664 | |
| 16 | A | A | 0.0846 | |
| 17 | L | A | 0.6875 | |
| 18 | H | A | -0.4169 | |
| 19 | I | A | 0.3750 | |
| 20 | I | A | 1.0657 | |
| 21 | T | A | 0.6120 | |
| 22 | E | A | -0.4453 | |
| 23 | L | A | 0.5841 | |
| 24 | C | A | 0.6318 | |
| 25 | F | A | 1.6205 | |
| 26 | A | A | 0.3912 | |
| 27 | G | A | -0.3295 | |
| 28 | Q | A | -0.8110 | |
| 29 | V | A | -0.4783 | |
| 30 | E | A | -2.1795 | |
| 31 | W | A | -0.9820 | |
| 32 | D | A | -2.6273 | |
| 33 | K | A | -2.5640 | |
| 34 | C | A | 0.0000 | |
| 35 | S | A | -1.1423 | |
| 36 | G | A | -0.6531 | |
| 37 | I | A | 0.7358 | |
| 38 | F | A | 0.3068 | |
| 39 | P | A | -0.6304 | |
| 40 | A | A | -1.2339 | |
| 41 | D | A | -2.7006 | |
| 42 | R | A | -2.9286 | |
| 43 | S | A | -2.0048 | |
| 44 | G | A | -1.7114 | |
| 45 | Q | A | -1.8567 | |
| 46 | G | A | -1.7256 | |
| 47 | G | A | -1.6978 | |
| 48 | G | A | -1.3121 | |
| 49 | G | A | -0.7217 | |
| 50 | T | A | -0.4614 | |
| 51 | D | A | -0.3250 | |
| 52 | I | A | 1.9888 | |
| 53 | S | A | 1.9937 | |
| 54 | V | A | 2.8947 | |
| 55 | S | A | 2.8080 | |
| 56 | L | A | 4.0598 | |
| 57 | L | A | 4.4285 | |
| 58 | A | A | 3.8496 | |
| 59 | V | A | 4.3153 | |
| 60 | V | A | 4.9909 | |
| 61 | V | A | 4.3658 | |
| 62 | S | A | 3.5706 | |
| 63 | F | A | 4.4852 | |
| 64 | C | A | 3.7522 | |
| 65 | G | A | 3.3505 | |
| 66 | L | A | 4.1732 | |
| 67 | A | A | 3.8706 | |
| 68 | L | A | 4.4708 | |
| 69 | L | A | 4.7718 | |
| 70 | V | A | 5.4283 | |
| 71 | V | A | 5.4092 | |
| 72 | S | A | 4.4701 | |
| 73 | L | A | 5.2435 | |
| 74 | F | A | 5.1648 | |
| 75 | V | A | 4.1788 | |
| 76 | F | A | 4.5084 | |
| 77 | W | A | 3.3782 | |
| 78 | K | A | 1.6167 | |
| 79 | L | A | 2.9614 | |
| 80 | C | A | 2.3111 | |
| 81 | W | A | 1.4125 | |
| 82 | P | A | 0.3309 | |
| 83 | C | A | 0.9162 | |
| 84 | W | A | 0.9156 | |
| 85 | K | A | -1.0437 | |
| 86 | S | A | -0.5798 | |
| 87 | K | A | -0.6922 | |
| 88 | L | A | 1.3506 | |
| 89 | V | A | 2.0259 | |
| 90 | A | A | 0.6543 | |
| 91 | P | A | -0.1282 | |
| 92 | N | A | -0.6862 | |
| 93 | L | A | 1.1406 | |
| 94 | S | A | 1.5310 | |
| 95 | V | A | 2.6917 | |
| 96 | L | A | 1.9855 | |
| 97 | P | A | 0.2058 | |
| 98 | Q | A | -0.7123 | |
| 99 | S | A | 0.0610 | |
| 100 | I | A | 1.5265 | |
| 101 | S | A | 0.6748 | |
| 102 | S | A | 0.0650 | |
| 103 | A | A | -0.2426 | |
| 104 | P | A | -0.6717 | |
| 105 | T | A | -0.6721 | |
| 106 | E | A | -0.7250 | |
| 107 | V | A | 1.2918 | |
| 108 | F | A | 1.3231 | |
| 109 | E | A | -0.8780 | |
| 110 | T | A | -1.6009 | |
| 111 | E | A | -3.4140 | |
| 112 | E | A | -3.8851 | |
| 113 | K | A | -4.2709 | |
| 114 | K | A | -3.4824 | |
| 115 | E | A | -2.5820 | |
| 116 | V | A | -0.7445 | |
| 117 | E | A | -2.6425 | |
| 118 | E | A | -3.4092 | |
| 119 | N | A | -3.7603 | |
| 120 | E | A | -3.6911 | |
| 121 | K | A | -2.9695 | |
| 122 | P | A | -1.5251 | |
| 123 | A | A | -0.9216 | |
| 124 | P | A | -0.8394 | |
| 125 | K | A | -1.4953 | |
| 126 | A | A | -0.2705 | |
| 127 | I | A | 0.6755 | |
| 128 | E | A | -0.8964 | |
| 129 | P | A | -0.1358 | |
| 130 | A | A | 0.2389 | |
| 131 | I | A | 1.4131 | |
| 132 | K | A | 0.1008 | |
| 133 | I | A | 1.3394 | |
| 134 | S | A | -0.1443 | |
| 135 | H | A | -0.9994 | |
| 136 | T | A | -1.0136 | |
| 137 | S | A | -0.7770 | |
| 138 | P | A | -0.9287 | |
| 139 | D | A | -1.0437 | |
| 140 | I | A | 0.9445 | |
| 141 | P | A | -0.0517 | |
| 142 | A | A | -0.5317 | |
| 143 | E | A | -1.0933 | |
| 144 | V | A | 0.6500 | |
| 145 | Q | A | -1.0016 | |
| 146 | T | A | -1.0809 | |
| 147 | A | A | -0.4733 | |
| 148 | L | A | 0.4611 | |
| 149 | K | A | -1.5116 | |
| 150 | E | A | -2.0454 | |
| 151 | H | A | -1.2088 | |
| 152 | L | A | 0.5813 | |
| 153 | I | A | 0.4182 | |
| 154 | K | A | -1.9022 | |
| 155 | H | A | -1.2020 | |
| 156 | A | A | -0.7253 | |
| 157 | R | A | -1.7827 | |
| 158 | V | A | -0.3919 | |
| 159 | Q | A | -1.9327 | |
| 160 | R | A | -2.8289 | |
| 161 | Q | A | -2.2368 | |
| 162 | T | A | -1.5870 | |
| 163 | T | A | -1.5201 | |
| 164 | E | A | -2.0379 | |
| 165 | P | A | -1.2707 | |
| 166 | T | A | -0.8771 | |
| 167 | S | A | -0.9367 | |
| 168 | S | A | -1.1757 | |
| 169 | S | A | -1.7597 | |
| 170 | R | A | -2.8749 | |
| 171 | H | A | -2.3261 | |
| 172 | N | A | -2.1623 | |
| 173 | S | A | -1.3698 | |
| 174 | F | A | -0.0590 | |
| 175 | R | A | -2.1087 | |
| 176 | R | A | -2.4902 | |
| 177 | H | A | -1.6502 | |
| 178 | L | A | -0.3471 | |
| 179 | P | A | -1.0447 | |
| 180 | R | A | -2.0250 | |
| 181 | Q | A | -1.7754 | |
| 182 | M | A | -0.2051 | |
| 183 | N | A | -0.2111 | |
| 184 | V | A | 1.2507 | |
| 185 | S | A | 0.6563 | |
| 186 | S | A | 0.5506 | |
| 187 | V | A | 1.1650 | |
| 188 | D | A | 0.0866 | |
| 189 | F | A | 1.7602 | |
| 190 | S | A | 1.3214 | |
| 191 | V | A | 1.5060 | |
| 192 | G | A | -0.2137 | |
| 193 | T | A | -1.0065 | |
| 194 | E | A | -1.5359 | |
| 195 | P | A | -0.0287 | |
| 196 | I | A | 2.0113 | |
| 197 | L | A | 1.4315 | |
| 198 | Q | A | -1.2470 | |
| 199 | R | A | -2.7263 | |
| 200 | G | A | -2.6965 | |
| 201 | E | A | -3.0689 | |
| 202 | T | A | -1.9912 | |
| 203 | R | A | -2.2283 | |
| 204 | T | A | -0.7662 | |
| 205 | S | A | 0.0210 | |
| 206 | I | A | 1.2685 | |
| 207 | G | A | -0.1083 | |
| 208 | R | A | -1.0591 | |
| 209 | I | A | 0.6006 | |
| 210 | K | A | -1.3925 | |
| 211 | P | A | -1.1698 | |
| 212 | E | A | -1.7555 | |
| 213 | L | A | 0.1924 | |
| 214 | Y | A | -0.0525 | |
| 215 | K | A | -2.5493 | |
| 216 | Q | A | -2.2592 | |
| 217 | K | A | -2.3098 | |
| 218 | S | A | -1.3177 | |
| 219 | V | A | -0.1914 | |
| 220 | D | A | -1.8331 | |
| 221 | S | A | -1.9047 | |
| 222 | E | A | -2.8045 | |
| 223 | G | A | -2.9786 | |
| 224 | N | A | -3.6161 | |
| 225 | R | A | -4.4693 | |
| 226 | K | A | -4.3376 | |
| 227 | D | A | -4.2418 | |
| 228 | D | A | -3.6111 | |
| 229 | V | A | -2.0787 | |
| 230 | K | A | -2.4908 | |
| 231 | T | A | -2.0476 | |
| 232 | C | A | -1.3164 | |
| 233 | G | A | -1.9269 | |
| 234 | K | A | -2.1144 | |
| 235 | L | A | 0.0000 | |
| 236 | N | A | 0.0000 | |
| 237 | F | A | 0.0000 | |
| 238 | A | A | 0.0000 | |
| 239 | L | A | 0.0000 | |
| 240 | Q | A | -1.8998 | |
| 241 | Y | A | 0.0000 | |
| 242 | D | A | -1.3716 | |
| 243 | Y | A | -0.4655 | |
| 244 | E | A | -2.2992 | |
| 245 | N | A | -2.4152 | |
| 246 | E | A | -2.0080 | |
| 247 | L | A | -1.1873 | |
| 248 | L | A | 0.0000 | |
| 249 | V | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | K | A | -0.6317 | |
| 252 | I | A | 0.0000 | |
| 253 | I | A | -0.2797 | |
| 254 | K | A | -0.3888 | |
| 255 | A | A | 0.0000 | |
| 256 | L | A | -1.1722 | |
| 257 | D | A | -2.0079 | |
| 258 | L | A | 0.0000 | |
| 259 | P | A | -0.7195 | |
| 260 | A | A | -0.5776 | |
| 261 | K | A | -0.7649 | |
| 262 | D | A | -0.1832 | |
| 263 | F | A | 1.2779 | |
| 264 | T | A | 0.2010 | |
| 265 | G | A | -0.3030 | |
| 266 | T | A | -1.0137 | |
| 267 | S | A | 0.0000 | |
| 268 | D | A | 0.0000 | |
| 269 | P | A | 0.0000 | |
| 270 | Y | A | 0.0000 | |
| 271 | V | A | 0.0000 | |
| 272 | K | A | -1.3124 | |
| 273 | I | A | 0.0000 | |
| 274 | Y | A | 0.0000 | |
| 275 | L | A | 0.0000 | |
| 276 | L | A | -1.7610 | |
| 277 | P | A | -1.5518 | |
| 278 | D | A | -2.5508 | |
| 279 | R | A | -3.4152 | |
| 280 | K | A | -3.4284 | |
| 281 | K | A | -2.9004 | |
| 282 | K | A | -3.0385 | |
| 283 | F | A | -1.3494 | |
| 284 | Q | A | -1.8211 | |
| 285 | T | A | 0.0000 | |
| 286 | R | A | -2.4374 | |
| 287 | V | A | -1.3322 | |
| 288 | H | A | -1.6248 | |
| 289 | R | A | -2.7798 | |
| 290 | K | A | -2.7561 | |
| 291 | T | A | -1.6700 | |
| 292 | L | A | -1.2764 | |
| 293 | N | A | -1.5209 | |
| 294 | P | A | 0.0000 | |
| 295 | L | A | 0.4735 | |
| 296 | F | A | 0.0000 | |
| 297 | D | A | -1.5302 | |
| 298 | E | A | -0.8491 | |
| 299 | L | A | 0.3874 | |
| 300 | F | A | -0.0342 | |
| 301 | Q | A | -0.7067 | |
| 302 | F | A | 0.0000 | |
| 303 | P | A | -0.8204 | |
| 304 | V | A | 0.0000 | |
| 305 | V | A | -0.1556 | |
| 306 | Y | A | -0.4174 | |
| 307 | D | A | -1.9335 | |
| 308 | Q | A | -1.6886 | |
| 309 | L | A | 0.0000 | |
| 310 | S | A | -1.8779 | |
| 311 | N | A | -2.5687 | |
| 312 | R | A | -2.3048 | |
| 313 | K | A | -2.0209 | |
| 314 | L | A | 0.0000 | |
| 315 | H | A | -0.7844 | |
| 316 | F | A | 0.0000 | |
| 317 | S | A | 0.0000 | |
| 318 | I | A | 0.0000 | |
| 319 | Y | A | -0.3192 | |
| 320 | D | A | 0.0000 | |
| 321 | F | A | -0.7969 | |
| 322 | D | A | -0.7761 | |
| 323 | R | A | -0.5982 | |
| 324 | F | A | 1.1558 | |
| 325 | S | A | 0.1712 | |
| 326 | R | A | -0.5833 | |
| 327 | H | A | -0.9331 | |
| 328 | D | A | -1.4534 | |
| 329 | M | A | -0.4557 | |
| 330 | I | A | 0.0000 | |
| 331 | G | A | 0.0000 | |
| 332 | E | A | -0.8547 | |
| 333 | V | A | 0.0000 | |
| 334 | I | A | -0.2392 | |
| 335 | L | A | 0.0000 | |
| 336 | D | A | -2.5158 | |
| 337 | N | A | -2.0007 | |
| 338 | L | A | 0.0000 | |
| 339 | F | A | -0.7576 | |
| 340 | E | A | -1.8709 | |
| 341 | V | A | -0.6903 | |
| 342 | S | A | 0.0000 | |
| 343 | D | A | -2.2423 | |
| 344 | L | A | 0.0000 | |
| 345 | S | A | -1.9101 | |
| 346 | R | A | -3.2817 | |
| 347 | E | A | -3.0926 | |
| 348 | A | A | -1.7061 | |
| 349 | T | A | -0.4749 | |
| 350 | V | A | 0.2202 | |
| 351 | W | A | -0.1178 | |
| 352 | K | A | -1.2978 | |
| 353 | D | A | -2.3745 | |
| 354 | I | A | 0.0000 | |
| 355 | H | A | -1.5466 | |
| 356 | C | A | -0.8797 | |
| 357 | A | A | -0.5187 | |
| 358 | T | A | -0.8384 | |
| 359 | T | A | -1.0736 | |
| 360 | E | A | -1.9801 | |
| 361 | S | A | -1.0695 | |
| 362 | I | A | -0.7012 | |
| 363 | D | A | -2.1567 | |
| 364 | L | A | 0.0000 | |
| 365 | G | A | 0.0000 | |
| 366 | E | A | -1.2940 | |
| 367 | I | A | 0.0000 | |
| 368 | M | A | -0.1379 | |
| 369 | F | A | 0.0000 | |
| 370 | S | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | C | A | 0.0000 | |
| 373 | Y | A | 0.0000 | |
| 374 | L | A | -0.9513 | |
| 375 | P | A | -0.8905 | |
| 376 | T | A | -0.4288 | |
| 377 | A | A | -0.4052 | |
| 378 | G | A | -1.1187 | |
| 379 | R | A | -1.1138 | |
| 380 | M | A | 0.0000 | |
| 381 | T | A | 0.1174 | |
| 382 | L | A | 0.0000 | |
| 383 | T | A | -0.1763 | |
| 384 | V | A | 0.0000 | |
| 385 | I | A | -0.2646 | |
| 386 | K | A | -0.7010 | |
| 387 | C | A | 0.0000 | |
| 388 | R | A | -2.0106 | |
| 389 | N | A | -2.5018 | |
| 390 | L | A | 0.0000 | |
| 391 | K | A | -1.3258 | |
| 392 | A | A | 0.0000 | |
| 393 | M | A | -0.1449 | |
| 394 | D | A | 0.4011 | |
| 395 | I | A | 1.5883 | |
| 396 | T | A | 0.3378 | |
| 397 | G | A | -0.1545 | |
| 398 | S | A | -0.6609 | |
| 399 | S | A | 0.0000 | |
| 400 | D | A | 0.0000 | |
| 401 | P | A | 0.0000 | |
| 402 | Y | A | 0.0000 | |
| 403 | V | A | 0.0000 | |
| 404 | K | A | -1.4607 | |
| 405 | V | A | 0.0000 | |
| 406 | S | A | 0.0000 | |
| 407 | L | A | 0.0000 | |
| 408 | M | A | -1.6094 | |
| 409 | C | A | -2.2505 | |
| 410 | E | A | -3.0551 | |
| 411 | G | A | -2.5947 | |
| 412 | R | A | -2.9739 | |
| 413 | R | A | -2.2155 | |
| 414 | L | A | -1.0063 | |
| 415 | K | A | -1.8642 | |
| 416 | K | A | -2.3511 | |
| 417 | R | A | -2.9182 | |
| 418 | K | A | -2.6749 | |
| 419 | T | A | -1.5613 | |
| 420 | T | A | -0.9054 | |
| 421 | T | A | -1.1028 | |
| 422 | K | A | -1.8237 | |
| 423 | K | A | -2.5969 | |
| 424 | N | A | -2.3891 | |
| 425 | T | A | -1.6522 | |
| 426 | L | A | -1.3601 | |
| 427 | N | A | -1.9069 | |
| 428 | P | A | 0.0000 | |
| 429 | V | A | -0.0297 | |
| 430 | Y | A | 0.0000 | |
| 431 | N | A | -1.1681 | |
| 432 | E | A | -0.8717 | |
| 433 | A | A | -0.1418 | |
| 434 | I | A | 0.0000 | |
| 435 | I | A | 0.8604 | |
| 436 | F | A | 0.0000 | |
| 437 | D | A | -1.3562 | |
| 438 | I | A | 0.0000 | |
| 439 | P | A | -1.3892 | |
| 440 | P | A | -1.8523 | |
| 441 | E | A | -2.6951 | |
| 442 | N | A | -2.3888 | |
| 443 | V | A | -1.8789 | |
| 444 | D | A | -2.8076 | |
| 445 | Q | A | -2.8879 | |
| 446 | V | A | 0.0000 | |
| 447 | S | A | 0.0000 | |
| 448 | L | A | 0.0000 | |
| 449 | C | A | -0.4052 | |
| 450 | I | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | V | A | 0.0000 | |
| 453 | M | A | -0.0206 | |
| 454 | D | A | 0.0000 | |
| 455 | Y | A | -0.6723 | |
| 456 | D | A | -0.7183 | |
| 457 | R | A | -1.1156 | |
| 458 | V | A | 0.7901 | |
| 459 | G | A | -0.3606 | |
| 460 | H | A | -1.1118 | |
| 461 | N | A | -0.9100 | |
| 462 | E | A | -0.6803 | |
| 463 | V | A | -0.0505 | |
| 464 | I | A | 0.0000 | |
| 465 | G | A | 0.0000 | |
| 466 | V | A | 0.0000 | |
| 467 | C | A | 0.0000 | |
| 468 | R | A | -1.1007 | |
| 469 | T | A | 0.0000 | |
| 470 | G | A | 0.0000 | |
| 471 | L | A | -2.0511 | |
| 472 | D | A | -2.9144 | |
| 473 | A | A | 0.0000 | |
| 474 | E | A | -2.8775 | |
| 475 | G | A | -1.7340 | |
| 476 | L | A | -0.9726 | |
| 477 | G | A | 0.0000 | |
| 478 | R | A | -3.1992 | |
| 479 | D | A | -2.8472 | |
| 480 | H | A | 0.0000 | |
| 481 | W | A | 0.0000 | |
| 482 | N | A | -1.5967 | |
| 483 | E | A | -1.5231 | |
| 484 | M | A | 0.0000 | |
| 485 | L | A | -0.7182 | |
| 486 | A | A | -0.2476 | |
| 487 | Y | A | -0.2487 | |
| 488 | H | A | -1.6247 | |
| 489 | R | A | -2.7423 | |
| 490 | K | A | -2.5383 | |
| 491 | P | A | -1.4782 | |
| 492 | I | A | 0.0000 | |
| 493 | T | A | -0.3552 | |
| 494 | H | A | -0.1491 | |
| 495 | W | A | 0.0637 | |
| 496 | H | A | 0.0000 | |
| 497 | P | A | -0.3084 | |
| 498 | L | A | 0.0000 | |
| 499 | L | A | 0.3325 | |
| 500 | E | A | -0.9292 | |
| 501 | L | A | 0.0625 | |
| 502 | P | A | -0.6024 | |
| 503 | G | A | -1.4520 | |
| 504 | R | A | -1.8450 | |
| 505 | A | A | -0.2453 | |
| 506 | T | A | -0.0821 | |
| 507 | S | A | -0.1132 | |
| 508 | F | A | 0.6971 | |
| 509 | D | A | -1.3828 | |
| 510 | S | A | -1.3003 | |
| 511 | Q | A | -1.6456 | |
| 512 | G | A | -1.4380 | |
| 513 | S | A | -0.4967 | |
| 514 | C | A | 0.1364 | |
| 515 | S | A | -0.3883 | |
| 516 | S | A | -0.7729 | |
| 517 | P | A | -1.3105 | |
| 518 | R | A | -2.2642 | |
| 519 | P | A | -1.4172 | |
| 520 | P | A | -1.0071 | |
| 521 | S | A | -0.7351 | |
| 522 | T | A | -0.3963 | |
| 523 | P | A | -0.3762 |
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 | -0.2976 | 8.1494 | View | CSV | PDB |
| 4.5 | -0.3844 | 8.1509 | View | CSV | PDB |
| 5.0 | -0.4882 | 8.1552 | View | CSV | PDB |
| 5.5 | -0.5885 | 8.1679 | View | CSV | PDB |
| 6.0 | -0.6645 | 8.1998 | View | CSV | PDB |
| 6.5 | -0.7032 | 8.2621 | View | CSV | PDB |
| 7.0 | -0.7064 | 8.3526 | View | CSV | PDB |
| 7.5 | -0.6865 | 8.4588 | View | CSV | PDB |
| 8.0 | -0.6533 | 8.5712 | View | CSV | PDB |
| 8.5 | -0.6093 | 8.6855 | View | CSV | PDB |
| 9.0 | -0.5532 | 8.7998 | 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