| Chain sequence(s) |
A: MVKLAKAGKNQGDPKKMAPPPKEVEEDSEDEEMSEDEEDDSSGEEVVIPQKKGKKAAATSAKKVVVSPTKKVAVATPAKKAAVTPGKKAAATPAKKTVTPAKAVTTPGKKGATPGKALVATPGKKGAAIPAKGAKNGKNAKKEDSDEEEDDDSEEDEEDDEDEDEDEDEIEPAAMKAAAAAPASEDEDDEDDEDDEDDDDDEEDDSEEEAMETTPAKGKKAAKVVPVKAKNVAEDEDEEEDDEDEDDDDDEDDEDDDDEDDEEEEEEEEEEPVKEAPGKRKKEMAKQKAAPEAKKQKVEGTEPTTAFNLFVGNLNFNKSAPELKTGISDVFAKNDLAVVDVRIGMTRKFGYVDFESAEDLEKALELTGLKVFGNEIKLEKPKGKDSKKERDARTLLAKNLPYKVTQDELKEVFEDAAEIRLVSKDGKSKGIAYIEFKTEADAEKTFEEKQGTEIDGRSISLYYTGEKGQNQDYRGGKNSTWSGESKTLVLSNLSYSATEETLQEVFEKATFIKVPQNQNGKSKGYAFIEFASFEDAKEALNSCNKREIEGRAIRLELQGPRGSPNARSQPSKTLFVKGLSEDTTEETLKESFDGSVRARIVTDRETGSSKGFGFVDFNSEEDAKAAKEAMEDGEIDGNKVTLDWAKPKGEGGFGGRGGGRGGFGGRGGGRGGRGGFGGRGRGGFGGRGGFRGGRGGGGDHKPQGKKTKFE
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| 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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:12:48)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/9ff744d47a68665/tmp/folded.pdb (00:12:48)
[INFO] Main: Simulation completed successfully. (00:21:35)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 1.5259 | |
| 2 | V | A | 1.6522 | |
| 3 | K | A | 0.2827 | |
| 4 | L | A | 0.7607 | |
| 5 | A | A | -0.5108 | |
| 6 | K | A | -1.4010 | |
| 7 | A | A | -1.3248 | |
| 8 | G | A | -1.8797 | |
| 9 | K | A | -2.7895 | |
| 10 | N | A | -2.8842 | |
| 11 | Q | A | -2.7954 | |
| 12 | G | A | -2.2260 | |
| 13 | D | A | -2.7596 | |
| 14 | P | A | -2.4705 | |
| 15 | K | A | -2.8995 | |
| 16 | K | A | -2.1893 | |
| 17 | M | A | -0.1406 | |
| 18 | A | A | 0.1280 | |
| 19 | P | A | -0.1597 | |
| 20 | P | A | -0.8312 | |
| 21 | P | A | -1.6038 | |
| 22 | K | A | -2.4854 | |
| 23 | E | A | -2.3477 | |
| 24 | V | A | -0.8062 | |
| 25 | E | A | -2.6798 | |
| 26 | E | A | -3.3098 | |
| 27 | D | A | -3.5146 | |
| 28 | S | A | -2.7818 | |
| 29 | E | A | -3.6467 | |
| 30 | D | A | -4.0495 | |
| 31 | E | A | -3.7520 | |
| 32 | E | A | -2.6668 | |
| 33 | M | A | -0.6950 | |
| 34 | S | A | -1.2223 | |
| 35 | E | A | -2.9232 | |
| 36 | D | A | -4.1213 | |
| 37 | E | A | -4.4699 | |
| 38 | E | A | -4.3620 | |
| 39 | D | A | -3.9698 | |
| 40 | D | A | -3.2582 | |
| 41 | S | A | -1.6758 | |
| 42 | S | A | -1.5691 | |
| 43 | G | A | -2.0728 | |
| 44 | E | A | -2.5811 | |
| 45 | E | A | -1.5378 | |
| 46 | V | A | 1.7992 | |
| 47 | V | A | 3.1302 | |
| 48 | I | A | 2.8519 | |
| 49 | P | A | 0.3597 | |
| 50 | Q | A | -2.0303 | |
| 51 | K | A | -3.2577 | |
| 52 | K | A | -3.3503 | |
| 53 | G | A | -2.7727 | |
| 54 | K | A | -3.0898 | |
| 55 | K | A | -2.5556 | |
| 56 | A | A | -1.2186 | |
| 57 | A | A | -0.2721 | |
| 58 | A | A | 0.0165 | |
| 59 | T | A | -0.1257 | |
| 60 | S | A | -0.5206 | |
| 61 | A | A | -1.2948 | |
| 62 | K | A | -2.0678 | |
| 63 | K | A | -1.3889 | |
| 64 | V | A | 1.8370 | |
| 65 | V | A | 2.9045 | |
| 66 | V | A | 2.8566 | |
| 67 | S | A | 0.8100 | |
| 68 | P | A | -0.3811 | |
| 69 | T | A | -1.4531 | |
| 70 | K | A | -2.2157 | |
| 71 | K | A | -1.6532 | |
| 72 | V | A | 0.9484 | |
| 73 | A | A | 1.3701 | |
| 74 | V | A | 2.1653 | |
| 75 | A | A | 0.8558 | |
| 76 | T | A | 0.1827 | |
| 77 | P | A | -0.5730 | |
| 78 | A | A | -1.2249 | |
| 79 | K | A | -2.5525 | |
| 80 | K | A | -2.4909 | |
| 81 | A | A | -0.7309 | |
| 82 | A | A | 0.5936 | |
| 83 | V | A | 1.7217 | |
| 84 | T | A | 0.5839 | |
| 85 | P | A | -0.4894 | |
| 86 | G | A | -1.9435 | |
| 87 | K | A | -2.8110 | |
| 88 | K | A | -2.5544 | |
| 89 | A | A | -1.2028 | |
| 90 | A | A | -0.2455 | |
| 91 | A | A | 0.0179 | |
| 92 | T | A | -0.1579 | |
| 93 | P | A | -0.5864 | |
| 94 | A | A | -1.3329 | |
| 95 | K | A | -2.5412 | |
| 96 | K | A | -2.1489 | |
| 97 | T | A | -0.3854 | |
| 98 | V | A | 1.2861 | |
| 99 | T | A | 0.6276 | |
| 100 | P | A | -0.2238 | |
| 101 | A | A | -0.9032 | |
| 102 | K | A | -1.3325 | |
| 103 | A | A | 0.0851 | |
| 104 | V | A | 1.4082 | |
| 105 | T | A | 0.7015 | |
| 106 | T | A | -0.0426 | |
| 107 | P | A | -0.8853 | |
| 108 | G | A | -1.8227 | |
| 109 | K | A | -2.9800 | |
| 110 | K | A | -2.9265 | |
| 111 | G | A | -1.5977 | |
| 112 | A | A | -0.6007 | |
| 113 | T | A | -0.3324 | |
| 114 | P | A | -0.8384 | |
| 115 | G | A | -1.3473 | |
| 116 | K | A | -1.6193 | |
| 117 | A | A | 0.2636 | |
| 118 | L | A | 1.9718 | |
| 119 | V | A | 2.5128 | |
| 120 | A | A | 1.2259 | |
| 121 | T | A | 0.1266 | |
| 122 | P | A | -0.8247 | |
| 123 | G | A | -1.7435 | |
| 124 | K | A | -2.8806 | |
| 125 | K | A | -2.8436 | |
| 126 | G | A | -1.7407 | |
| 127 | A | A | -0.3979 | |
| 128 | A | A | 1.0156 | |
| 129 | I | A | 1.9471 | |
| 130 | P | A | 0.3372 | |
| 131 | A | A | -0.7416 | |
| 132 | K | A | -1.9642 | |
| 133 | G | A | -1.7414 | |
| 134 | A | A | -1.7482 | |
| 135 | K | A | -2.4812 | |
| 136 | N | A | -2.6791 | |
| 137 | G | A | -2.4719 | |
| 138 | K | A | -2.8459 | |
| 139 | N | A | -2.5630 | |
| 140 | A | A | -2.1153 | |
| 141 | K | A | -3.4240 | |
| 142 | K | A | -3.8634 | |
| 143 | E | A | -3.9403 | |
| 144 | D | A | -3.9177 | |
| 145 | S | A | -3.1993 | |
| 146 | D | A | -3.9237 | |
| 147 | E | A | -4.4414 | |
| 148 | E | A | -4.8118 | |
| 149 | E | A | -4.8044 | |
| 150 | D | A | -4.5000 | |
| 151 | D | A | -4.1952 | |
| 152 | D | A | -3.5682 | |
| 153 | S | A | -3.0311 | |
| 154 | E | A | -3.7728 | |
| 155 | E | A | -4.4340 | |
| 156 | D | A | -4.8128 | |
| 157 | E | A | -4.8000 | |
| 158 | E | A | -4.9663 | |
| 159 | D | A | -4.8924 | |
| 160 | D | A | -4.9640 | |
| 161 | E | A | -5.0050 | |
| 162 | D | A | -4.9815 | |
| 163 | E | A | -4.9843 | |
| 164 | D | A | -4.8934 | |
| 165 | E | A | -4.7042 | |
| 166 | D | A | -4.6210 | |
| 167 | E | A | -4.6049 | |
| 168 | D | A | -3.6522 | |
| 169 | E | A | -2.6210 | |
| 170 | I | A | -0.2224 | |
| 171 | E | A | -1.5867 | |
| 172 | P | A | -0.8633 | |
| 173 | A | A | -0.2408 | |
| 174 | A | A | 0.1179 | |
| 175 | M | A | 0.1933 | |
| 176 | K | A | -1.0769 | |
| 177 | A | A | -0.5052 | |
| 178 | A | A | -0.2763 | |
| 179 | A | A | 0.1148 | |
| 180 | A | A | 0.0687 | |
| 181 | A | A | -0.0302 | |
| 182 | P | A | -0.2125 | |
| 183 | A | A | -0.5492 | |
| 184 | S | A | -1.6114 | |
| 185 | E | A | -3.1432 | |
| 186 | D | A | -4.0473 | |
| 187 | E | A | -4.3863 | |
| 188 | D | A | -4.4024 | |
| 189 | D | A | -4.3495 | |
| 190 | E | A | -4.2466 | |
| 191 | D | A | -4.3687 | |
| 192 | D | A | -4.3844 | |
| 193 | E | A | -4.3435 | |
| 194 | D | A | -4.3257 | |
| 195 | D | A | -4.4473 | |
| 196 | E | A | -4.4212 | |
| 197 | D | A | -4.3104 | |
| 198 | D | A | -4.3463 | |
| 199 | D | A | -4.2896 | |
| 200 | D | A | -4.3745 | |
| 201 | D | A | -4.3309 | |
| 202 | E | A | -4.3896 | |
| 203 | E | A | -4.3834 | |
| 204 | D | A | -3.9796 | |
| 205 | D | A | -3.5650 | |
| 206 | S | A | -2.7988 | |
| 207 | E | A | -3.6793 | |
| 208 | E | A | -3.7856 | |
| 209 | E | A | -2.9277 | |
| 210 | A | A | -1.3799 | |
| 211 | M | A | -0.2113 | |
| 212 | E | A | -1.3469 | |
| 213 | T | A | -0.8366 | |
| 214 | T | A | -0.5996 | |
| 215 | P | A | -0.6133 | |
| 216 | A | A | -0.9845 | |
| 217 | K | A | -2.3090 | |
| 218 | G | A | -2.4076 | |
| 219 | K | A | -3.0988 | |
| 220 | K | A | -2.5744 | |
| 221 | A | A | -1.4969 | |
| 222 | A | A | -0.8381 | |
| 223 | K | A | -0.4711 | |
| 224 | V | A | 1.9026 | |
| 225 | V | A | 2.6186 | |
| 226 | P | A | 1.4393 | |
| 227 | V | A | 1.1267 | |
| 228 | K | A | -1.2018 | |
| 229 | A | A | -1.6521 | |
| 230 | K | A | -2.2991 | |
| 231 | N | A | -1.0801 | |
| 232 | V | A | 0.3651 | |
| 233 | A | A | -0.9977 | |
| 234 | E | A | -2.7243 | |
| 235 | D | A | -4.2125 | |
| 236 | E | A | -4.4504 | |
| 237 | D | A | -4.6678 | |
| 238 | E | A | -4.9197 | |
| 239 | E | A | -4.5175 | |
| 240 | E | A | -4.7803 | |
| 241 | D | A | -4.7061 | |
| 242 | D | A | -4.6982 | |
| 243 | E | A | -4.9025 | |
| 244 | D | A | -4.7921 | |
| 245 | E | A | -4.8367 | |
| 246 | D | A | -4.8821 | |
| 247 | D | A | -4.9403 | |
| 248 | D | A | -4.9084 | |
| 249 | D | A | -5.0215 | |
| 250 | D | A | -4.9246 | |
| 251 | E | A | -4.9295 | |
| 252 | D | A | -4.9005 | |
| 253 | D | A | -4.8617 | |
| 254 | E | A | -4.9533 | |
| 255 | D | A | -4.8146 | |
| 256 | D | A | -4.9678 | |
| 257 | D | A | -4.9458 | |
| 258 | D | A | -4.9636 | |
| 259 | E | A | -4.9276 | |
| 260 | D | A | -4.9662 | |
| 261 | D | A | -4.7948 | |
| 262 | E | A | -4.7197 | |
| 263 | E | A | -4.6563 | |
| 264 | E | A | -4.6146 | |
| 265 | E | A | -4.4396 | |
| 266 | E | A | -4.3849 | |
| 267 | E | A | -4.3963 | |
| 268 | E | A | -4.3539 | |
| 269 | E | A | -4.3907 | |
| 270 | E | A | -4.0720 | |
| 271 | E | A | -2.8973 | |
| 272 | P | A | -1.0299 | |
| 273 | V | A | 0.0916 | |
| 274 | K | A | -1.9354 | |
| 275 | E | A | -2.4247 | |
| 276 | A | A | -1.4129 | |
| 277 | P | A | -1.1298 | |
| 278 | G | A | -1.7904 | |
| 279 | K | A | -3.2674 | |
| 280 | R | A | -3.9912 | |
| 281 | K | A | -4.2399 | |
| 282 | K | A | -3.7103 | |
| 283 | E | A | -2.5304 | |
| 284 | M | A | -0.5135 | |
| 285 | A | A | -1.3470 | |
| 286 | K | A | -2.3754 | |
| 287 | Q | A | -2.8649 | |
| 288 | K | A | -2.6324 | |
| 289 | A | A | -1.2889 | |
| 290 | A | A | -0.9544 | |
| 291 | P | A | -1.3027 | |
| 292 | E | A | -2.5676 | |
| 293 | A | A | -2.3430 | |
| 294 | K | A | -3.5862 | |
| 295 | K | A | -3.4954 | |
| 296 | Q | A | -3.0666 | |
| 297 | K | A | -2.6608 | |
| 298 | V | A | -0.5123 | |
| 299 | E | A | -1.9744 | |
| 300 | G | A | -1.7479 | |
| 301 | T | A | -1.3980 | |
| 302 | E | A | -2.3780 | |
| 303 | P | A | -1.2784 | |
| 304 | T | A | -0.8167 | |
| 305 | T | A | -0.4950 | |
| 306 | A | A | 0.0131 | |
| 307 | F | A | -0.3403 | |
| 308 | N | A | -0.3814 | |
| 309 | L | A | 0.0000 | |
| 310 | F | A | -0.8793 | |
| 311 | V | A | 0.0000 | |
| 312 | G | A | 0.0000 | |
| 313 | N | A | -1.7618 | |
| 314 | L | A | 0.0000 | |
| 315 | N | A | -0.8371 | |
| 316 | F | A | 0.2877 | |
| 317 | N | A | -0.8759 | |
| 318 | K | A | -1.0497 | |
| 319 | S | A | -0.8331 | |
| 320 | A | A | -0.6328 | |
| 321 | P | A | -1.0359 | |
| 322 | E | A | -1.2584 | |
| 323 | L | A | 0.0000 | |
| 324 | K | A | -1.6352 | |
| 325 | T | A | -1.3313 | |
| 326 | G | A | -1.2756 | |
| 327 | I | A | 0.0000 | |
| 328 | S | A | -1.3151 | |
| 329 | D | A | -2.2924 | |
| 330 | V | A | -1.7652 | |
| 331 | F | A | 0.0000 | |
| 332 | A | A | -1.9303 | |
| 333 | K | A | -2.7739 | |
| 334 | N | A | -2.2906 | |
| 335 | D | A | -2.5187 | |
| 336 | L | A | 0.0000 | |
| 337 | A | A | -0.7646 | |
| 338 | V | A | -0.0872 | |
| 339 | V | A | 0.4462 | |
| 340 | D | A | -0.6661 | |
| 341 | V | A | 0.0000 | |
| 342 | R | A | -0.5283 | |
| 343 | I | A | -0.2136 | |
| 344 | G | A | 0.0794 | |
| 345 | M | A | 0.6168 | |
| 346 | T | A | 0.0914 | |
| 347 | R | A | -0.7015 | |
| 348 | K | A | -1.3731 | |
| 349 | F | A | -0.2945 | |
| 350 | G | A | 0.0000 | |
| 351 | Y | A | -0.0653 | |
| 352 | V | A | 0.0000 | |
| 353 | D | A | 0.0000 | |
| 354 | F | A | 0.0000 | |
| 355 | E | A | -1.6780 | |
| 356 | S | A | -1.4586 | |
| 357 | A | A | -1.6725 | |
| 358 | E | A | -2.9705 | |
| 359 | D | A | -2.4822 | |
| 360 | L | A | -2.3092 | |
| 361 | E | A | -3.3623 | |
| 362 | K | A | -3.1113 | |
| 363 | A | A | 0.0000 | |
| 364 | L | A | -2.0692 | |
| 365 | E | A | -2.4167 | |
| 366 | L | A | -1.2520 | |
| 367 | T | A | -1.3654 | |
| 368 | G | A | -1.7392 | |
| 369 | L | A | -1.5554 | |
| 370 | K | A | -2.6112 | |
| 371 | V | A | 0.0000 | |
| 372 | F | A | -0.2131 | |
| 373 | G | A | -1.0715 | |
| 374 | N | A | -1.7867 | |
| 375 | E | A | -2.9435 | |
| 376 | I | A | 0.0000 | |
| 377 | K | A | -2.4450 | |
| 378 | L | A | -1.7902 | |
| 379 | E | A | -2.6432 | |
| 380 | K | A | -2.7745 | |
| 381 | P | A | -2.2455 | |
| 382 | K | A | -3.1506 | |
| 383 | G | A | -2.8328 | |
| 384 | K | A | -3.4380 | |
| 385 | D | A | -3.5110 | |
| 386 | S | A | -3.1854 | |
| 387 | K | A | -3.8020 | |
| 388 | K | A | -4.1807 | |
| 389 | E | A | -3.7797 | |
| 390 | R | A | -3.7332 | |
| 391 | D | A | -2.9110 | |
| 392 | A | A | -2.7672 | |
| 393 | R | A | -2.3972 | |
| 394 | T | A | 0.0000 | |
| 395 | L | A | 0.0000 | |
| 396 | L | A | 0.4950 | |
| 397 | A | A | 0.0000 | |
| 398 | K | A | -0.1754 | |
| 399 | N | A | -0.5070 | |
| 400 | L | A | 0.0000 | |
| 401 | P | A | 0.0000 | |
| 402 | Y | A | -1.5610 | |
| 403 | K | A | -2.1363 | |
| 404 | V | A | 0.0000 | |
| 405 | T | A | -1.7757 | |
| 406 | Q | A | -2.7391 | |
| 407 | D | A | -3.5143 | |
| 408 | E | A | -2.9256 | |
| 409 | L | A | 0.0000 | |
| 410 | K | A | -3.7185 | |
| 411 | E | A | -3.5867 | |
| 412 | V | A | -1.9866 | |
| 413 | F | A | 0.0000 | |
| 414 | E | A | -3.6262 | |
| 415 | D | A | -3.4205 | |
| 416 | A | A | -2.4660 | |
| 417 | A | A | -1.7689 | |
| 418 | E | A | -1.6990 | |
| 419 | I | A | 0.0000 | |
| 420 | R | A | -0.3583 | |
| 421 | L | A | 0.1463 | |
| 422 | V | A | -0.4049 | |
| 423 | S | A | -2.0553 | |
| 424 | K | A | -3.3930 | |
| 425 | D | A | -3.3789 | |
| 426 | G | A | -2.5633 | |
| 427 | K | A | -3.1185 | |
| 428 | S | A | -2.1655 | |
| 429 | K | A | -2.3128 | |
| 430 | G | A | 0.0000 | |
| 431 | I | A | 0.1579 | |
| 432 | A | A | 0.0000 | |
| 433 | Y | A | 0.5350 | |
| 434 | I | A | 0.0000 | |
| 435 | E | A | 0.0000 | |
| 436 | F | A | 0.0000 | |
| 437 | K | A | -2.7038 | |
| 438 | T | A | -2.3214 | |
| 439 | E | A | -2.9029 | |
| 440 | A | A | -1.9621 | |
| 441 | D | A | -2.6733 | |
| 442 | A | A | 0.0000 | |
| 443 | E | A | -2.9929 | |
| 444 | K | A | -3.5997 | |
| 445 | T | A | 0.0000 | |
| 446 | F | A | -2.3091 | |
| 447 | E | A | -3.6941 | |
| 448 | E | A | -3.5224 | |
| 449 | K | A | -2.3995 | |
| 450 | Q | A | -1.8221 | |
| 451 | G | A | -1.3762 | |
| 452 | T | A | -1.3889 | |
| 453 | E | A | -2.5279 | |
| 454 | I | A | -1.7168 | |
| 455 | D | A | -2.4310 | |
| 456 | G | A | -1.9393 | |
| 457 | R | A | -1.7673 | |
| 458 | S | A | 0.0000 | |
| 459 | I | A | 0.0000 | |
| 460 | S | A | 0.0000 | |
| 461 | L | A | 0.0000 | |
| 462 | Y | A | -0.4292 | |
| 463 | Y | A | -1.0645 | |
| 464 | T | A | -1.6151 | |
| 465 | G | A | -2.9548 | |
| 466 | E | A | -3.5792 | |
| 467 | K | A | -3.1437 | |
| 468 | G | A | 0.0000 | |
| 469 | Q | A | -3.3483 | |
| 470 | N | A | -3.1361 | |
| 471 | Q | A | -2.2081 | |
| 472 | D | A | -1.4631 | |
| 473 | Y | A | -0.7851 | |
| 474 | R | A | -2.8473 | |
| 475 | G | A | -2.7801 | |
| 476 | G | A | -2.6674 | |
| 477 | K | A | -3.0539 | |
| 478 | N | A | -2.3041 | |
| 479 | S | A | -1.5376 | |
| 480 | T | A | -0.4606 | |
| 481 | W | A | 0.0863 | |
| 482 | S | A | -0.5883 | |
| 483 | G | A | -1.2988 | |
| 484 | E | A | -2.5556 | |
| 485 | S | A | -1.7938 | |
| 486 | K | A | -2.1651 | |
| 487 | T | A | 0.0000 | |
| 488 | L | A | 0.0000 | |
| 489 | V | A | -0.3751 | |
| 490 | L | A | 0.0000 | |
| 491 | S | A | -1.1336 | |
| 492 | N | A | -1.6133 | |
| 493 | L | A | 0.0000 | |
| 494 | S | A | 0.0000 | |
| 495 | Y | A | 0.3109 | |
| 496 | S | A | -0.1742 | |
| 497 | A | A | 0.0000 | |
| 498 | T | A | -0.6720 | |
| 499 | E | A | 0.0000 | |
| 500 | E | A | -2.7481 | |
| 501 | T | A | -1.8972 | |
| 502 | L | A | 0.0000 | |
| 503 | Q | A | -2.9209 | |
| 504 | E | A | -3.2275 | |
| 505 | V | A | -2.1311 | |
| 506 | F | A | 0.0000 | |
| 507 | E | A | -3.3198 | |
| 508 | K | A | -2.9533 | |
| 509 | A | A | -1.8074 | |
| 510 | T | A | -0.9293 | |
| 511 | F | A | -0.4027 | |
| 512 | I | A | 0.0000 | |
| 513 | K | A | -0.2592 | |
| 514 | V | A | 0.0000 | |
| 515 | P | A | -1.0172 | |
| 516 | Q | A | -2.0600 | |
| 517 | N | A | -2.8858 | |
| 518 | Q | A | -2.9891 | |
| 519 | N | A | -2.7960 | |
| 520 | G | A | -2.4768 | |
| 521 | K | A | -2.7802 | |
| 522 | S | A | 0.0000 | |
| 523 | K | A | -1.3118 | |
| 524 | G | A | -0.4719 | |
| 525 | Y | A | -0.0620 | |
| 526 | A | A | 0.0000 | |
| 527 | F | A | 0.0950 | |
| 528 | I | A | 0.0000 | |
| 529 | E | A | -0.9067 | |
| 530 | F | A | 0.0000 | |
| 531 | A | A | -0.8602 | |
| 532 | S | A | -1.5738 | |
| 533 | F | A | -2.3342 | |
| 534 | E | A | -3.1431 | |
| 535 | D | A | -2.7852 | |
| 536 | A | A | 0.0000 | |
| 537 | K | A | -3.3712 | |
| 538 | E | A | -3.3313 | |
| 539 | A | A | 0.0000 | |
| 540 | L | A | -2.3631 | |
| 541 | N | A | -2.6770 | |
| 542 | S | A | -1.9148 | |
| 543 | C | A | -2.1142 | |
| 544 | N | A | -2.9980 | |
| 545 | K | A | -3.5968 | |
| 546 | R | A | -3.2467 | |
| 547 | E | A | -3.7904 | |
| 548 | I | A | 0.0000 | |
| 549 | E | A | -2.5943 | |
| 550 | G | A | -2.4483 | |
| 551 | R | A | -3.1203 | |
| 552 | A | A | -3.1702 | |
| 553 | I | A | 0.0000 | |
| 554 | R | A | -2.8464 | |
| 555 | L | A | 0.0000 | |
| 556 | E | A | -2.0704 | |
| 557 | L | A | -1.0709 | |
| 558 | Q | A | -1.2755 | |
| 559 | G | A | -1.5613 | |
| 560 | P | A | -1.6367 | |
| 561 | R | A | -2.6939 | |
| 562 | G | A | -2.3225 | |
| 563 | S | A | -1.6314 | |
| 564 | P | A | -1.2909 | |
| 565 | N | A | -1.3521 | |
| 566 | A | A | -1.7721 | |
| 567 | R | A | -2.8367 | |
| 568 | S | A | -2.2346 | |
| 569 | Q | A | -2.1983 | |
| 570 | P | A | -2.2147 | |
| 571 | S | A | -2.6624 | |
| 572 | K | A | -3.1682 | |
| 573 | T | A | -1.9485 | |
| 574 | L | A | 0.0000 | |
| 575 | F | A | -0.3859 | |
| 576 | V | A | 0.0000 | |
| 577 | K | A | -1.7692 | |
| 578 | G | A | -2.3317 | |
| 579 | L | A | 0.0000 | |
| 580 | S | A | -2.9087 | |
| 581 | E | A | -3.3692 | |
| 582 | D | A | -3.0445 | |
| 583 | T | A | 0.0000 | |
| 584 | T | A | -2.7055 | |
| 585 | E | A | -3.1543 | |
| 586 | E | A | -3.5913 | |
| 587 | T | A | -2.7507 | |
| 588 | L | A | 0.0000 | |
| 589 | K | A | -3.5470 | |
| 590 | E | A | -3.4484 | |
| 591 | S | A | -2.3827 | |
| 592 | F | A | 0.0000 | |
| 593 | D | A | -2.5320 | |
| 594 | G | A | -1.9540 | |
| 595 | S | A | -1.7144 | |
| 596 | V | A | -0.3318 | |
| 597 | R | A | -1.9743 | |
| 598 | A | A | 0.0000 | |
| 599 | R | A | -1.9434 | |
| 600 | I | A | 0.0000 | |
| 601 | V | A | -0.8779 | |
| 602 | T | A | -1.9041 | |
| 603 | D | A | -2.6333 | |
| 604 | R | A | -3.1832 | |
| 605 | E | A | -3.0820 | |
| 606 | T | A | -1.9115 | |
| 607 | G | A | -2.1878 | |
| 608 | S | A | -2.1942 | |
| 609 | S | A | -2.1194 | |
| 610 | K | A | -2.1011 | |
| 611 | G | A | -1.8495 | |
| 612 | F | A | -0.9781 | |
| 613 | G | A | 0.0000 | |
| 614 | F | A | -0.6529 | |
| 615 | V | A | 0.0000 | |
| 616 | D | A | -1.5465 | |
| 617 | F | A | 0.0000 | |
| 618 | N | A | -2.3523 | |
| 619 | S | A | -2.8819 | |
| 620 | E | A | -3.6998 | |
| 621 | E | A | -3.6966 | |
| 622 | D | A | -3.5167 | |
| 623 | A | A | 0.0000 | |
| 624 | K | A | -3.1675 | |
| 625 | A | A | -2.2835 | |
| 626 | A | A | -2.2038 | |
| 627 | K | A | -2.3970 | |
| 628 | E | A | -2.9432 | |
| 629 | A | A | -1.6476 | |
| 630 | M | A | -2.2573 | |
| 631 | E | A | -3.6715 | |
| 632 | D | A | -3.8795 | |
| 633 | G | A | -3.2242 | |
| 634 | E | A | -4.0775 | |
| 635 | I | A | 0.0000 | |
| 636 | D | A | -3.5165 | |
| 637 | G | A | -2.7254 | |
| 638 | N | A | -3.7038 | |
| 639 | K | A | -4.2261 | |
| 640 | V | A | 0.0000 | |
| 641 | T | A | -2.2303 | |
| 642 | L | A | 0.0000 | |
| 643 | D | A | -1.3697 | |
| 644 | W | A | 0.0000 | |
| 645 | A | A | 0.0000 | |
| 646 | K | A | -3.0698 | |
| 647 | P | A | -2.7066 | |
| 648 | K | A | -3.1120 | |
| 649 | G | A | -2.7142 | |
| 650 | E | A | -2.5847 | |
| 651 | G | A | -1.5778 | |
| 652 | G | A | -0.7310 | |
| 653 | F | A | 1.0407 | |
| 654 | G | A | -0.4503 | |
| 655 | G | A | -1.5126 | |
| 656 | R | A | -2.6486 | |
| 657 | G | A | -2.0715 | |
| 658 | G | A | -2.1186 | |
| 659 | G | A | -2.2067 | |
| 660 | R | A | -2.5893 | |
| 661 | G | A | -1.3935 | |
| 662 | G | A | -0.4528 | |
| 663 | F | A | 1.0653 | |
| 664 | G | A | -0.3926 | |
| 665 | G | A | -1.3706 | |
| 666 | R | A | -2.2597 | |
| 667 | G | A | -1.8727 | |
| 668 | G | A | -1.9038 | |
| 669 | G | A | -1.8390 | |
| 670 | R | A | -2.7810 | |
| 671 | G | A | -2.3046 | |
| 672 | G | A | -2.2775 | |
| 673 | R | A | -2.7066 | |
| 674 | G | A | -1.2959 | |
| 675 | G | A | -0.3344 | |
| 676 | F | A | 1.2915 | |
| 677 | G | A | -0.3598 | |
| 678 | G | A | -1.3478 | |
| 679 | R | A | -2.8850 | |
| 680 | G | A | -2.6608 | |
| 681 | R | A | -2.8306 | |
| 682 | G | A | -1.6159 | |
| 683 | G | A | -0.1083 | |
| 684 | F | A | 1.2465 | |
| 685 | G | A | -0.3831 | |
| 686 | G | A | -1.3996 | |
| 687 | R | A | -2.5467 | |
| 688 | G | A | -1.4885 | |
| 689 | G | A | -0.7219 | |
| 690 | F | A | 0.4960 | |
| 691 | R | A | -1.1915 | |
| 692 | G | A | -1.6655 | |
| 693 | G | A | -2.1075 | |
| 694 | R | A | -2.5897 | |
| 695 | G | A | -2.0220 | |
| 696 | G | A | -1.5169 | |
| 697 | G | A | -1.6138 | |
| 698 | G | A | -1.8996 | |
| 699 | D | A | -2.9468 | |
| 700 | H | A | -2.8463 | |
| 701 | K | A | -2.9441 | |
| 702 | P | A | -2.1017 | |
| 703 | Q | A | -2.3165 | |
| 704 | G | A | -2.2385 | |
| 705 | K | A | -3.0272 | |
| 706 | K | A | -2.8143 | |
| 707 | T | A | -1.7346 | |
| 708 | K | A | -1.5851 | |
| 709 | F | A | 0.0488 | |
| 710 | E | A | -1.2547 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -1.0566 | 4.5897 | View | CSV | PDB |
| 4.5 | -1.2105 | 4.5897 | View | CSV | PDB |
| 5.0 | -1.423 | 4.5897 | View | CSV | PDB |
| 5.5 | -1.6525 | 4.5897 | View | CSV | PDB |
| 6.0 | -1.8522 | 4.5897 | View | CSV | PDB |
| 6.5 | -1.9882 | 4.5897 | View | CSV | PDB |
| 7.0 | -2.0489 | 4.5897 | View | CSV | PDB |
| 7.5 | -2.0498 | 4.5897 | View | CSV | PDB |
| 8.0 | -2.0167 | 4.5897 | View | CSV | PDB |
| 8.5 | -1.9652 | 4.5897 | View | CSV | PDB |
| 9.0 | -1.8978 | 4.5897 | 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