| Chain sequence(s) |
A: MAEPRQEFEVMEDHAGTYGLGDRKDQGGYTMHQDQEGDTDAGLKESPLQTPTEDGSEEPGSETSDAKSTPTAEDVTAPLVDEGAPGKQAAAQPHTEIPEGTTAEEAGIGDTPSLEDEAAGHVTQARMVSKSKDGTGSDDKKAKGADGKTKIATPRGAAPPGQKGQANATRIPAKTPPAPKTPPSSGEPPKSGDRSGYSSPGSPGTPGSRSRTPSLPTPPTREPKKVAVVRTPPKSPSSAKSRLQTAPVPMPDLKNVKSKIGSTENLKHQPGGGKVQIINKKLDLSNVQSKCGSKDNIKHVPGGGSVQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTFRENAKAKTDHGAEIVYKSPVVSGDTSPRHLSNVSSTGSIDMVDSPQLATLADEVSASLAKQGL
B: MAEPRQEFEVMEDHAGTYGLGDRKDQGGYTMHQDQEGDTDAGLKESPLQTPTEDGSEEPGSETSDAKSTPTAEDVTAPLVDEGAPGKQAAAQPHTEIPEGTTAEEAGIGDTPSLEDEAAGHVTQARMVSKSKDGTGSDDKKAKGADGKTKIATPRGAAPPGQKGQANATRIPAKTPPAPKTPPSSGEPPKSGDRSGYSSPGSPGTPGSRSRTPSLPTPPTREPKKVAVVRTPPKSPSSAKSRLQTAPVPMPDLKNVKSKIGSTENLKHQPGGGKVQIINKKLDLSNVQSKCGSKDNIKHVPGGGSVQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTFRENAKAKTDHGAEIVYKSPVVSGDTSPRHLSNVSSTGSIDMVDSPQLATLADEVSASLAKQGL input PDB |
| Selected Chain(s) | A,B |
| 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] (00:00:11)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:11)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:11)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:11)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:13)
[INFO] FoldX: Starting FoldX energy minimization (00:00:13)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:00)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/31e54f7248c67d3/tmp/folded.pdb (00:11:00)
[INFO] Main: Simulation completed successfully. (00:17:54)
|
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 | 0.5793 | |
| 2 | A | A | -0.6371 | |
| 3 | E | A | -2.2820 | |
| 4 | P | A | -2.4701 | |
| 5 | R | A | -3.2837 | |
| 6 | Q | A | -2.9894 | |
| 7 | E | A | -2.2905 | |
| 8 | F | A | 0.2288 | |
| 9 | E | A | -0.6255 | |
| 10 | V | A | 0.9595 | |
| 11 | M | A | 0.1091 | |
| 12 | E | A | -2.1917 | |
| 13 | D | A | -2.6564 | |
| 14 | H | A | -2.3445 | |
| 15 | A | A | -1.2453 | |
| 16 | G | A | -0.6710 | |
| 17 | T | A | 0.2968 | |
| 18 | Y | A | 1.2849 | |
| 19 | G | A | 0.5062 | |
| 20 | L | A | 0.8255 | |
| 21 | G | A | -1.2204 | |
| 22 | D | A | -3.3536 | |
| 23 | R | A | -4.1676 | |
| 24 | K | A | -4.4723 | |
| 25 | D | A | -4.1821 | |
| 26 | Q | A | -3.0140 | |
| 27 | G | A | -1.6014 | |
| 28 | G | A | -0.5094 | |
| 29 | Y | A | 0.9405 | |
| 30 | T | A | 0.4702 | |
| 31 | M | A | 0.3024 | |
| 32 | H | A | -1.5474 | |
| 33 | Q | A | -2.8432 | |
| 34 | D | A | -3.6697 | |
| 35 | Q | A | -3.7949 | |
| 36 | E | A | -3.8153 | |
| 37 | G | A | -3.0447 | |
| 38 | D | A | -3.2286 | |
| 39 | T | A | -2.2522 | |
| 40 | D | A | -2.2989 | |
| 41 | A | A | -1.0664 | |
| 42 | G | A | -0.8863 | |
| 43 | L | A | -0.1754 | |
| 44 | K | A | -2.1175 | |
| 45 | E | A | -2.4170 | |
| 46 | S | A | -1.1733 | |
| 47 | P | A | -0.5798 | |
| 48 | L | A | 0.5128 | |
| 49 | Q | A | -0.8574 | |
| 50 | T | A | -0.9777 | |
| 51 | P | A | -2.0554 | |
| 52 | T | A | -3.1363 | |
| 53 | E | A | -3.8135 | |
| 54 | D | A | -3.5901 | |
| 55 | G | A | -2.2868 | |
| 56 | S | A | -2.4106 | |
| 57 | E | A | -3.2098 | |
| 58 | E | A | -3.0430 | |
| 59 | P | A | -2.0590 | |
| 60 | G | A | -1.5006 | |
| 61 | S | A | -1.5521 | |
| 62 | E | A | -2.1606 | |
| 63 | T | A | -1.5298 | |
| 64 | S | A | -1.6187 | |
| 65 | D | A | -2.2583 | |
| 66 | A | A | -1.8034 | |
| 67 | K | A | -2.1781 | |
| 68 | S | A | -1.1585 | |
| 69 | T | A | -0.7176 | |
| 70 | P | A | -0.3568 | |
| 71 | T | A | -0.5931 | |
| 72 | A | A | -1.3522 | |
| 73 | E | A | -2.3420 | |
| 74 | D | A | -1.8005 | |
| 75 | V | A | 0.3860 | |
| 76 | T | A | 0.4024 | |
| 77 | A | A | 0.6250 | |
| 78 | P | A | 1.0201 | |
| 79 | L | A | 1.8859 | |
| 80 | V | A | 1.0419 | |
| 81 | D | A | -1.4522 | |
| 82 | E | A | -2.5246 | |
| 83 | G | A | -1.8115 | |
| 84 | A | A | -1.0059 | |
| 85 | P | A | -0.9899 | |
| 86 | G | A | -1.7013 | |
| 87 | K | A | -2.5797 | |
| 88 | Q | A | -2.1067 | |
| 89 | A | A | -0.9353 | |
| 90 | A | A | -0.4569 | |
| 91 | A | A | -0.6950 | |
| 92 | Q | A | -1.4947 | |
| 93 | P | A | -1.3628 | |
| 94 | H | A | -1.8323 | |
| 95 | T | A | -1.0931 | |
| 96 | E | A | -1.1572 | |
| 97 | I | A | 0.5710 | |
| 98 | P | A | -0.7940 | |
| 99 | E | A | -1.7626 | |
| 100 | G | A | -1.4807 | |
| 101 | T | A | -0.7078 | |
| 102 | T | A | -0.6160 | |
| 103 | A | A | -1.2828 | |
| 104 | E | A | -2.8166 | |
| 105 | E | A | -2.6541 | |
| 106 | A | A | -0.9767 | |
| 107 | G | A | -0.3688 | |
| 108 | I | A | 0.9983 | |
| 109 | G | A | -0.6366 | |
| 110 | D | A | -1.7540 | |
| 111 | T | A | -1.2187 | |
| 112 | P | A | -0.5373 | |
| 113 | S | A | 0.1182 | |
| 114 | L | A | 0.1103 | |
| 115 | E | A | -2.4319 | |
| 116 | D | A | -3.3054 | |
| 117 | E | A | -3.3908 | |
| 118 | A | A | -1.8342 | |
| 119 | A | A | -1.4367 | |
| 120 | G | A | -1.1139 | |
| 121 | H | A | -0.5812 | |
| 122 | V | A | 0.8517 | |
| 123 | T | A | -0.0632 | |
| 124 | Q | A | -1.2382 | |
| 125 | A | A | -1.2258 | |
| 126 | R | A | -1.1426 | |
| 127 | M | A | 1.0444 | |
| 128 | V | A | 1.4537 | |
| 129 | S | A | 0.0247 | |
| 130 | K | A | -1.9220 | |
| 131 | S | A | -2.3794 | |
| 132 | K | A | -3.2687 | |
| 133 | D | A | -3.0288 | |
| 134 | G | A | -1.8458 | |
| 135 | T | A | -0.9869 | |
| 136 | G | A | -1.1274 | |
| 137 | S | A | -1.7630 | |
| 138 | D | A | -3.2897 | |
| 139 | D | A | -3.9747 | |
| 140 | K | A | -3.8241 | |
| 141 | K | A | -3.3463 | |
| 142 | A | A | -2.1528 | |
| 143 | K | A | -2.3027 | |
| 144 | G | A | -1.8567 | |
| 145 | A | A | -1.7389 | |
| 146 | D | A | -2.5171 | |
| 147 | G | A | -2.3550 | |
| 148 | K | A | -2.6169 | |
| 149 | T | A | -1.6066 | |
| 150 | K | A | -1.1983 | |
| 151 | I | A | 0.9664 | |
| 152 | A | A | 0.4857 | |
| 153 | T | A | -0.2666 | |
| 154 | P | A | -1.0773 | |
| 155 | R | A | -2.1928 | |
| 156 | G | A | -1.4494 | |
| 157 | A | A | -0.6864 | |
| 158 | A | A | -0.3876 | |
| 159 | P | A | -0.9848 | |
| 160 | P | A | -2.0457 | |
| 161 | G | A | -2.4861 | |
| 162 | Q | A | -3.3795 | |
| 163 | K | A | -3.3989 | |
| 164 | G | A | -2.3646 | |
| 165 | Q | A | -2.3222 | |
| 166 | A | A | -1.4846 | |
| 167 | N | A | -1.8038 | |
| 168 | A | A | -0.8829 | |
| 169 | T | A | -0.7760 | |
| 170 | R | A | -1.0813 | |
| 171 | I | A | 0.8153 | |
| 172 | P | A | -0.1150 | |
| 173 | A | A | -0.7163 | |
| 174 | K | A | -1.6183 | |
| 175 | T | A | -1.0742 | |
| 176 | P | A | -0.8462 | |
| 177 | P | A | -0.6044 | |
| 178 | A | A | -0.6638 | |
| 179 | P | A | -1.1655 | |
| 180 | K | A | -1.9286 | |
| 181 | T | A | -1.2078 | |
| 182 | P | A | -0.8762 | |
| 183 | P | A | -0.6272 | |
| 184 | S | A | -0.9992 | |
| 185 | S | A | -1.6029 | |
| 186 | G | A | -2.0651 | |
| 187 | E | A | -2.8435 | |
| 188 | P | A | -2.0657 | |
| 189 | P | A | -1.7315 | |
| 190 | K | A | -2.2822 | |
| 191 | S | A | -1.8497 | |
| 192 | G | A | -2.3007 | |
| 193 | D | A | -3.3099 | |
| 194 | R | A | -2.9647 | |
| 195 | S | A | -1.4830 | |
| 196 | G | A | -0.6405 | |
| 197 | Y | A | 0.6835 | |
| 198 | S | A | 0.1502 | |
| 199 | S | A | -0.2938 | |
| 200 | P | A | -0.7211 | |
| 201 | G | A | -0.8768 | |
| 202 | S | A | -0.7764 | |
| 203 | P | A | -0.7806 | |
| 204 | G | A | -0.8386 | |
| 205 | T | A | -0.6430 | |
| 206 | P | A | -0.9026 | |
| 207 | G | A | -1.1754 | |
| 208 | S | A | -1.6913 | |
| 209 | R | A | -2.5956 | |
| 210 | S | A | -2.2662 | |
| 211 | R | A | -2.5103 | |
| 212 | T | A | -1.0189 | |
| 213 | P | A | -0.5135 | |
| 214 | S | A | 0.1385 | |
| 215 | L | A | 1.2097 | |
| 216 | P | A | 0.3365 | |
| 217 | T | A | -0.0545 | |
| 218 | P | A | -0.5203 | |
| 219 | P | A | -1.0807 | |
| 220 | T | A | -1.6812 | |
| 221 | R | A | -3.1118 | |
| 222 | E | A | -3.5125 | |
| 223 | P | A | -2.6987 | |
| 224 | K | A | -2.7733 | |
| 225 | K | A | -1.6607 | |
| 226 | V | A | 1.0406 | |
| 227 | A | A | 1.5620 | |
| 228 | V | A | 2.4325 | |
| 229 | V | A | 1.9428 | |
| 230 | R | A | -0.6277 | |
| 231 | T | A | -0.8660 | |
| 232 | P | A | -1.3468 | |
| 233 | P | A | -1.5131 | |
| 234 | K | A | -2.0984 | |
| 235 | S | A | -1.3686 | |
| 236 | P | A | -0.9623 | |
| 237 | S | A | -0.8845 | |
| 238 | S | A | -0.8350 | |
| 239 | A | A | -1.2605 | |
| 240 | K | A | -2.7425 | |
| 241 | S | A | -2.3372 | |
| 242 | R | A | -2.9455 | |
| 243 | L | A | -2.1726 | |
| 244 | Q | A | -1.8915 | |
| 245 | T | A | -0.4653 | |
| 246 | A | A | 0.4741 | |
| 247 | P | A | 1.2764 | |
| 248 | V | A | 2.4394 | |
| 249 | P | A | 0.7670 | |
| 250 | M | A | 0.6956 | |
| 251 | P | A | -0.5462 | |
| 252 | D | A | -2.3133 | |
| 253 | L | A | -1.0371 | |
| 254 | K | A | -2.9421 | |
| 255 | N | A | -2.7612 | |
| 256 | V | A | -1.5213 | |
| 257 | K | A | -3.2786 | |
| 258 | S | A | -1.9955 | |
| 259 | K | A | -2.5889 | |
| 260 | I | A | -1.4742 | |
| 261 | G | A | -1.2126 | |
| 262 | S | A | -1.6486 | |
| 263 | T | A | -1.8396 | |
| 264 | E | A | -3.4856 | |
| 265 | N | A | -3.5618 | |
| 266 | L | A | -2.8993 | |
| 267 | K | A | -3.6522 | |
| 268 | H | A | -3.0521 | |
| 269 | Q | A | -2.8220 | |
| 270 | P | A | -2.3406 | |
| 271 | G | A | -1.5199 | |
| 272 | G | A | -1.9339 | |
| 273 | G | A | -1.9602 | |
| 274 | K | A | -2.8118 | |
| 275 | V | A | -1.4919 | |
| 276 | Q | A | -1.4431 | |
| 277 | I | A | 0.0000 | |
| 278 | I | A | 0.3026 | |
| 279 | N | A | -1.1373 | |
| 280 | K | A | -2.4794 | |
| 281 | K | A | -2.3876 | |
| 282 | L | A | -0.5107 | |
| 283 | D | A | -0.5550 | |
| 284 | L | A | 0.9251 | |
| 285 | S | A | 0.3355 | |
| 286 | N | A | -0.4512 | |
| 287 | V | A | 0.4638 | |
| 288 | Q | A | -0.5101 | |
| 289 | S | A | -1.3505 | |
| 290 | K | A | -2.9643 | |
| 291 | C | A | -1.9163 | |
| 292 | G | A | -2.2444 | |
| 293 | S | A | -2.6019 | |
| 294 | K | A | -3.5656 | |
| 295 | D | A | -2.7559 | |
| 296 | N | A | -1.8738 | |
| 297 | I | A | -0.6203 | |
| 298 | K | A | -0.5760 | |
| 299 | H | A | -0.2308 | |
| 300 | V | A | 0.1046 | |
| 301 | P | A | -0.0776 | |
| 302 | G | A | 0.0000 | |
| 303 | G | A | -0.4345 | |
| 304 | G | A | -0.0684 | |
| 305 | S | A | 0.1246 | |
| 306 | V | A | 0.7943 | |
| 307 | Q | A | 0.6376 | |
| 308 | I | A | 0.9876 | |
| 309 | V | A | 0.8997 | |
| 310 | Y | A | 0.3662 | |
| 311 | K | A | -0.7098 | |
| 312 | P | A | -0.7298 | |
| 313 | V | A | -0.4634 | |
| 314 | D | A | -1.8688 | |
| 315 | L | A | -1.1073 | |
| 316 | S | A | -1.3270 | |
| 317 | K | A | -1.5498 | |
| 318 | V | A | -0.2546 | |
| 319 | T | A | -0.7807 | |
| 320 | S | A | -1.0757 | |
| 321 | K | A | -2.4224 | |
| 322 | C | A | -1.2498 | |
| 323 | G | A | -0.8713 | |
| 324 | S | A | 0.2540 | |
| 325 | L | A | 1.2137 | |
| 326 | G | A | -0.2426 | |
| 327 | N | A | -1.0313 | |
| 328 | I | A | -1.1406 | |
| 329 | H | A | -2.1663 | |
| 330 | H | A | -2.1460 | |
| 331 | K | A | -3.2064 | |
| 332 | P | A | -2.0738 | |
| 333 | G | A | -1.8314 | |
| 334 | G | A | -1.6824 | |
| 335 | G | A | -1.2908 | |
| 336 | Q | A | -2.2257 | |
| 337 | V | A | -1.3506 | |
| 338 | E | A | -2.8550 | |
| 339 | V | A | -1.6985 | |
| 340 | K | A | -3.4693 | |
| 341 | S | A | -2.9154 | |
| 342 | E | A | -4.2915 | |
| 343 | K | A | -3.9248 | |
| 344 | L | A | -2.4645 | |
| 345 | D | A | -3.3775 | |
| 346 | F | A | -2.8350 | |
| 347 | K | A | -4.3985 | |
| 348 | D | A | -4.6249 | |
| 349 | R | A | -4.3195 | |
| 350 | V | A | -2.3838 | |
| 351 | Q | A | -2.6047 | |
| 352 | S | A | -1.8839 | |
| 353 | K | A | -2.6557 | |
| 354 | I | A | -1.1349 | |
| 355 | G | A | -1.0551 | |
| 356 | S | A | -1.2350 | |
| 357 | L | A | -0.6852 | |
| 358 | D | A | 0.0000 | |
| 359 | N | A | -1.7404 | |
| 360 | I | A | -0.6170 | |
| 361 | T | A | -0.1233 | |
| 362 | H | A | -0.0955 | |
| 363 | V | A | 1.2569 | |
| 364 | P | A | 0.0606 | |
| 365 | G | A | -0.8128 | |
| 366 | G | A | -2.1218 | |
| 367 | G | A | -3.0220 | |
| 368 | N | A | -4.0358 | |
| 369 | K | A | -4.3942 | |
| 370 | K | A | -3.6318 | |
| 371 | I | A | -1.6996 | |
| 372 | E | A | -2.6562 | |
| 373 | T | A | -2.2993 | |
| 374 | H | A | -2.6985 | |
| 375 | K | A | -2.4860 | |
| 376 | L | A | -0.7895 | |
| 377 | T | A | -0.7144 | |
| 378 | F | A | -0.4985 | |
| 379 | R | A | -2.2995 | |
| 380 | E | A | -2.5244 | |
| 381 | N | A | -3.0358 | |
| 382 | A | A | -2.5281 | |
| 383 | K | A | -3.3692 | |
| 384 | A | A | -2.9123 | |
| 385 | K | A | -3.5769 | |
| 386 | T | A | -2.5650 | |
| 387 | D | A | -3.4278 | |
| 388 | H | A | -2.5752 | |
| 389 | G | A | -2.4029 | |
| 390 | A | A | -1.6386 | |
| 391 | E | A | -1.6562 | |
| 392 | I | A | 0.2102 | |
| 393 | V | A | 0.9825 | |
| 394 | Y | A | 0.7003 | |
| 395 | K | A | -1.0479 | |
| 396 | S | A | -0.6817 | |
| 397 | P | A | -0.1519 | |
| 398 | V | A | 1.0270 | |
| 399 | V | A | 1.6145 | |
| 400 | S | A | 0.2127 | |
| 401 | G | A | -0.8914 | |
| 402 | D | A | -2.0122 | |
| 403 | T | A | -1.5194 | |
| 404 | S | A | -1.5933 | |
| 405 | P | A | -1.5684 | |
| 406 | R | A | -2.2145 | |
| 407 | H | A | -1.4833 | |
| 408 | L | A | 0.3137 | |
| 409 | S | A | -0.1031 | |
| 410 | N | A | -0.2385 | |
| 411 | V | A | 1.2925 | |
| 412 | S | A | 0.2289 | |
| 413 | S | A | 0.1716 | |
| 414 | T | A | -0.0520 | |
| 415 | G | A | -0.1976 | |
| 416 | S | A | 0.0268 | |
| 417 | I | A | 1.3909 | |
| 418 | D | A | -0.0975 | |
| 419 | M | A | 1.1220 | |
| 420 | V | A | 1.0846 | |
| 421 | D | A | -1.0873 | |
| 422 | S | A | -0.6498 | |
| 423 | P | A | -0.7011 | |
| 424 | Q | A | -0.8152 | |
| 425 | L | A | 0.1800 | |
| 426 | A | A | -0.2701 | |
| 427 | T | A | -0.3286 | |
| 428 | L | A | 0.7571 | |
| 429 | A | A | 0.0040 | |
| 430 | D | A | -1.5298 | |
| 431 | E | A | -1.3087 | |
| 432 | V | A | 0.5666 | |
| 433 | S | A | -0.3856 | |
| 434 | A | A | -0.9755 | |
| 435 | S | A | -0.8429 | |
| 436 | L | A | -0.3913 | |
| 437 | A | A | -0.8097 | |
| 438 | K | A | -1.9264 | |
| 439 | Q | A | -1.7322 | |
| 440 | G | A | -0.9196 | |
| 441 | L | A | 0.4096 | |
| 1 | M | B | 0.6059 | |
| 2 | A | B | -0.6345 | |
| 3 | E | B | -2.3027 | |
| 4 | P | B | -2.4640 | |
| 5 | R | B | -3.2969 | |
| 6 | Q | B | -2.9924 | |
| 7 | E | B | -2.2973 | |
| 8 | F | B | 0.2353 | |
| 9 | E | B | -0.6240 | |
| 10 | V | B | 0.9656 | |
| 11 | M | B | 0.1300 | |
| 12 | E | B | -2.1876 | |
| 13 | D | B | -2.6652 | |
| 14 | H | B | -2.3354 | |
| 15 | A | B | -1.2164 | |
| 16 | G | B | -0.6531 | |
| 17 | T | B | 0.2999 | |
| 18 | Y | B | 1.2154 | |
| 19 | G | B | 0.5171 | |
| 20 | L | B | 0.7200 | |
| 21 | G | B | -1.2408 | |
| 22 | D | B | -3.2871 | |
| 23 | R | B | -4.1282 | |
| 24 | K | B | -4.4055 | |
| 25 | D | B | -4.1199 | |
| 26 | Q | B | -2.9710 | |
| 27 | G | B | -1.5822 | |
| 28 | G | B | -0.4769 | |
| 29 | Y | B | 0.9649 | |
| 30 | T | B | 0.4911 | |
| 31 | M | B | 0.3287 | |
| 32 | H | B | -1.5122 | |
| 33 | Q | B | -2.7775 | |
| 34 | D | B | -3.5827 | |
| 35 | Q | B | -3.4876 | |
| 36 | E | B | -3.6038 | |
| 37 | G | B | -2.7277 | |
| 38 | D | B | -2.8672 | |
| 39 | T | B | -1.9457 | |
| 40 | D | B | -2.2908 | |
| 41 | A | B | -0.7690 | |
| 42 | G | B | -0.3411 | |
| 43 | L | B | 0.1157 | |
| 44 | K | B | -2.0960 | |
| 45 | E | B | -2.5888 | |
| 46 | S | B | -1.3624 | |
| 47 | P | B | -0.2957 | |
| 48 | L | B | 0.7732 | |
| 49 | Q | B | -0.6231 | |
| 50 | T | B | -0.4666 | |
| 51 | P | B | -0.9674 | |
| 52 | T | B | -1.5030 | |
| 53 | E | B | -2.9932 | |
| 54 | D | B | -3.0774 | |
| 55 | G | B | -2.2396 | |
| 56 | S | B | -2.1936 | |
| 57 | E | B | -3.0000 | |
| 58 | E | B | -3.0001 | |
| 59 | P | B | -1.8176 | |
| 60 | G | B | -1.4961 | |
| 61 | S | B | -1.5198 | |
| 62 | E | B | -2.1194 | |
| 63 | T | B | -1.5010 | |
| 64 | S | B | -1.5302 | |
| 65 | D | B | -2.2568 | |
| 66 | A | B | -1.8758 | |
| 67 | K | B | -2.1807 | |
| 68 | S | B | -1.1309 | |
| 69 | T | B | -0.6921 | |
| 70 | P | B | -0.3605 | |
| 71 | T | B | -0.5853 | |
| 72 | A | B | -1.3187 | |
| 73 | E | B | -2.3430 | |
| 74 | D | B | -1.7984 | |
| 75 | V | B | 0.4124 | |
| 76 | T | B | 0.3963 | |
| 77 | A | B | 0.5997 | |
| 78 | P | B | 0.9291 | |
| 79 | L | B | 1.9293 | |
| 80 | V | B | 1.1206 | |
| 81 | D | B | -1.4969 | |
| 82 | E | B | -2.5478 | |
| 83 | G | B | -1.7817 | |
| 84 | A | B | -1.1928 | |
| 85 | P | B | -1.1304 | |
| 86 | G | B | -1.7311 | |
| 87 | K | B | -2.6335 | |
| 88 | Q | B | -2.2062 | |
| 89 | A | B | -0.8836 | |
| 90 | A | B | -0.4093 | |
| 91 | A | B | -0.6083 | |
| 92 | Q | B | -1.4895 | |
| 93 | P | B | -1.3670 | |
| 94 | H | B | -1.6062 | |
| 95 | T | B | -1.0298 | |
| 96 | E | B | -1.3560 | |
| 97 | I | B | 0.4778 | |
| 98 | P | B | -0.7281 | |
| 99 | E | B | -2.0101 | |
| 100 | G | B | -1.2679 | |
| 101 | T | B | -0.9529 | |
| 102 | T | B | -1.0484 | |
| 103 | A | B | -1.3994 | |
| 104 | E | B | -2.7625 | |
| 105 | E | B | -2.5772 | |
| 106 | A | B | -1.0553 | |
| 107 | G | B | -0.4241 | |
| 108 | I | B | 0.9059 | |
| 109 | G | B | -0.4755 | |
| 110 | D | B | -1.6946 | |
| 111 | T | B | -0.9209 | |
| 112 | P | B | -0.5297 | |
| 113 | S | B | -0.0633 | |
| 114 | L | B | 0.0968 | |
| 115 | E | B | -2.5051 | |
| 116 | D | B | -3.3487 | |
| 117 | E | B | -3.0961 | |
| 118 | A | B | -1.6997 | |
| 119 | A | B | -0.8309 | |
| 120 | G | B | -0.7299 | |
| 121 | H | B | -0.2410 | |
| 122 | V | B | 0.8415 | |
| 123 | T | B | -0.1043 | |
| 124 | Q | B | -1.6469 | |
| 125 | A | B | -1.5723 | |
| 126 | R | B | -1.5005 | |
| 127 | M | B | 0.9563 | |
| 128 | V | B | 1.3953 | |
| 129 | S | B | -0.0269 | |
| 130 | K | B | -1.9120 | |
| 131 | S | B | -2.3939 | |
| 132 | K | B | -3.2699 | |
| 133 | D | B | -3.0347 | |
| 134 | G | B | -1.8573 | |
| 135 | T | B | -0.9806 | |
| 136 | G | B | -1.1253 | |
| 137 | S | B | -1.7557 | |
| 138 | D | B | -3.3357 | |
| 139 | D | B | -4.0046 | |
| 140 | K | B | -3.8241 | |
| 141 | K | B | -3.3231 | |
| 142 | A | B | -2.1675 | |
| 143 | K | B | -2.4615 | |
| 144 | G | B | -1.9036 | |
| 145 | A | B | -1.7670 | |
| 146 | D | B | -2.7175 | |
| 147 | G | B | -2.4094 | |
| 148 | K | B | -2.6326 | |
| 149 | T | B | -1.5996 | |
| 150 | K | B | -1.2214 | |
| 151 | I | B | 0.9697 | |
| 152 | A | B | 0.5054 | |
| 153 | T | B | -0.2452 | |
| 154 | P | B | -1.0898 | |
| 155 | R | B | -2.2042 | |
| 156 | G | B | -1.4536 | |
| 157 | A | B | -0.6559 | |
| 158 | A | B | -0.3905 | |
| 159 | P | B | -0.4487 | |
| 160 | P | B | -0.8585 | |
| 161 | G | B | -1.6886 | |
| 162 | Q | B | -2.5436 | |
| 163 | K | B | -2.8986 | |
| 164 | G | B | -2.3416 | |
| 165 | Q | B | -2.2404 | |
| 166 | A | B | -1.4519 | |
| 167 | N | B | -1.5740 | |
| 168 | A | B | -0.8845 | |
| 169 | T | B | -0.8713 | |
| 170 | R | B | -0.9005 | |
| 171 | I | B | 0.9584 | |
| 172 | P | B | -0.1214 | |
| 173 | A | B | -0.6247 | |
| 174 | K | B | -1.8568 | |
| 175 | T | B | -1.1316 | |
| 176 | P | B | -0.8478 | |
| 177 | P | B | -0.7856 | |
| 178 | A | B | -0.6382 | |
| 179 | P | B | -1.1829 | |
| 180 | K | B | -1.9329 | |
| 181 | T | B | -1.1521 | |
| 182 | P | B | -0.8643 | |
| 183 | P | B | -0.6696 | |
| 184 | S | B | -0.7612 | |
| 185 | S | B | -1.5079 | |
| 186 | G | B | -2.3594 | |
| 187 | E | B | -3.0446 | |
| 188 | P | B | -2.3299 | |
| 189 | P | B | -1.9120 | |
| 190 | K | B | -2.4608 | |
| 191 | S | B | -1.8731 | |
| 192 | G | B | -2.3037 | |
| 193 | D | B | -3.2609 | |
| 194 | R | B | -2.9428 | |
| 195 | S | B | -1.4364 | |
| 196 | G | B | -0.3721 | |
| 197 | Y | B | 0.6724 | |
| 198 | S | B | 0.1552 | |
| 199 | S | B | -0.2667 | |
| 200 | P | B | -0.6945 | |
| 201 | G | B | -0.8006 | |
| 202 | S | B | -0.7416 | |
| 203 | P | B | -0.7341 | |
| 204 | G | B | -0.7372 | |
| 205 | T | B | -0.5864 | |
| 206 | P | B | -0.7155 | |
| 207 | G | B | -1.1281 | |
| 208 | S | B | -1.4830 | |
| 209 | R | B | -2.5576 | |
| 210 | S | B | -2.1862 | |
| 211 | R | B | -2.4286 | |
| 212 | T | B | -1.2728 | |
| 213 | P | B | -0.4656 | |
| 214 | S | B | 0.3334 | |
| 215 | L | B | 1.2483 | |
| 216 | P | B | 0.3656 | |
| 217 | T | B | -0.0417 | |
| 218 | P | B | -0.4846 | |
| 219 | P | B | -1.0391 | |
| 220 | T | B | -1.5987 | |
| 221 | R | B | -2.9691 | |
| 222 | E | B | -3.3285 | |
| 223 | P | B | -2.5748 | |
| 224 | K | B | -2.5993 | |
| 225 | K | B | -1.4393 | |
| 226 | V | B | 1.0819 | |
| 227 | A | B | 1.5572 | |
| 228 | V | B | 2.4244 | |
| 229 | V | B | 1.9010 | |
| 230 | R | B | -0.6155 | |
| 231 | T | B | -0.8250 | |
| 232 | P | B | -1.0615 | |
| 233 | P | B | -1.4581 | |
| 234 | K | B | -2.0630 | |
| 235 | S | B | -1.4233 | |
| 236 | P | B | -0.8798 | |
| 237 | S | B | -0.6672 | |
| 238 | S | B | -0.8355 | |
| 239 | A | B | -1.4885 | |
| 240 | K | B | -2.2858 | |
| 241 | S | B | -2.4061 | |
| 242 | R | B | -2.5335 | |
| 243 | L | B | -0.2388 | |
| 244 | Q | B | -1.1413 | |
| 245 | T | B | 0.1667 | |
| 246 | A | B | 0.0000 | |
| 247 | P | B | 0.8648 | |
| 248 | V | B | 2.4079 | |
| 249 | P | B | 0.9420 | |
| 250 | M | B | 0.9894 | |
| 251 | P | B | -0.5729 | |
| 252 | D | B | -2.2380 | |
| 253 | L | B | -1.2276 | |
| 254 | K | B | -2.6379 | |
| 255 | N | B | -2.8371 | |
| 256 | V | B | -1.8702 | |
| 257 | K | B | -3.2816 | |
| 258 | S | B | -2.0742 | |
| 259 | K | B | -2.2573 | |
| 260 | I | B | -0.7173 | |
| 261 | G | B | -1.0757 | |
| 262 | S | B | -1.3221 | |
| 263 | T | B | -1.9563 | |
| 264 | E | B | -3.3910 | |
| 265 | N | B | -3.6538 | |
| 266 | L | B | -3.2533 | |
| 267 | K | B | -3.8958 | |
| 268 | H | B | -3.4925 | |
| 269 | Q | B | -3.0006 | |
| 270 | P | B | -2.4047 | |
| 271 | G | B | -1.8723 | |
| 272 | G | B | -1.8814 | |
| 273 | G | B | -2.1407 | |
| 274 | K | B | -2.7880 | |
| 275 | V | B | -1.6599 | |
| 276 | Q | B | -1.2141 | |
| 277 | I | B | 0.5226 | |
| 278 | I | B | 0.1889 | |
| 279 | N | B | -1.3024 | |
| 280 | K | B | -1.7803 | |
| 281 | K | B | -2.0679 | |
| 282 | L | B | -0.2492 | |
| 283 | D | B | -0.3800 | |
| 284 | L | B | 1.4766 | |
| 285 | S | B | 0.8518 | |
| 286 | N | B | 0.4708 | |
| 287 | V | B | 1.1819 | |
| 288 | Q | B | -0.3898 | |
| 289 | S | B | -1.2147 | |
| 290 | K | B | -2.9891 | |
| 291 | C | B | -1.5833 | |
| 292 | G | B | -2.2861 | |
| 293 | S | B | -3.0482 | |
| 294 | K | B | -3.5781 | |
| 295 | D | B | -2.4477 | |
| 296 | N | B | -2.1715 | |
| 297 | I | B | -0.8598 | |
| 298 | K | B | -0.6432 | |
| 299 | H | B | -0.1226 | |
| 300 | V | B | -0.0358 | |
| 301 | P | B | 0.0000 | |
| 302 | G | B | -0.9777 | |
| 303 | G | B | 0.0000 | |
| 304 | G | B | 0.0540 | |
| 305 | S | B | 0.1530 | |
| 306 | V | B | 1.1450 | |
| 307 | Q | B | 0.9121 | |
| 308 | I | B | 1.5136 | |
| 309 | V | B | 0.9365 | |
| 310 | Y | B | 0.4288 | |
| 311 | K | B | -0.7504 | |
| 312 | P | B | -1.1799 | |
| 313 | V | B | -1.0834 | |
| 314 | D | B | -2.1089 | |
| 315 | L | B | -1.2002 | |
| 316 | S | B | -1.2934 | |
| 317 | K | B | -0.6846 | |
| 318 | V | B | 0.3079 | |
| 319 | T | B | -0.5845 | |
| 320 | S | B | -1.0005 | |
| 321 | K | B | -2.4924 | |
| 322 | C | B | -1.2842 | |
| 323 | G | B | -0.7840 | |
| 324 | S | B | 0.3953 | |
| 325 | L | B | 1.3372 | |
| 326 | G | B | -0.2614 | |
| 327 | N | B | -0.7515 | |
| 328 | I | B | -0.5128 | |
| 329 | H | B | -1.7924 | |
| 330 | H | B | -2.1231 | |
| 331 | K | B | -3.1245 | |
| 332 | P | B | -2.5448 | |
| 333 | G | B | -2.1747 | |
| 334 | G | B | -1.6200 | |
| 335 | G | B | -1.3075 | |
| 336 | Q | B | -2.1926 | |
| 337 | V | B | -1.2061 | |
| 338 | E | B | -2.6247 | |
| 339 | V | B | -1.4046 | |
| 340 | K | B | -3.3262 | |
| 341 | S | B | -2.9634 | |
| 342 | E | B | -4.4008 | |
| 343 | K | B | -3.8334 | |
| 344 | L | B | -2.5479 | |
| 345 | D | B | -3.2392 | |
| 346 | F | B | -2.7747 | |
| 347 | K | B | -4.2012 | |
| 348 | D | B | -4.8081 | |
| 349 | R | B | -3.9776 | |
| 350 | V | B | -2.2009 | |
| 351 | Q | B | -2.3545 | |
| 352 | S | B | -1.9456 | |
| 353 | K | B | -2.5453 | |
| 354 | I | B | -0.9778 | |
| 355 | G | B | -1.1818 | |
| 356 | S | B | -1.2904 | |
| 357 | L | B | -0.8840 | |
| 358 | D | B | -2.2831 | |
| 359 | N | B | -2.1195 | |
| 360 | I | B | -0.6424 | |
| 361 | T | B | -0.2383 | |
| 362 | H | B | -0.0121 | |
| 363 | V | B | 1.3372 | |
| 364 | P | B | 0.1028 | |
| 365 | G | B | -0.9055 | |
| 366 | G | B | -1.8174 | |
| 367 | G | B | -2.9628 | |
| 368 | N | B | -4.2720 | |
| 369 | K | B | -4.4217 | |
| 370 | K | B | -4.0353 | |
| 371 | I | B | -2.1051 | |
| 372 | E | B | -2.7775 | |
| 373 | T | B | -2.2811 | |
| 374 | H | B | -2.6685 | |
| 375 | K | B | -2.3804 | |
| 376 | L | B | -0.7344 | |
| 377 | T | B | -0.5930 | |
| 378 | F | B | -0.5497 | |
| 379 | R | B | -2.3925 | |
| 380 | E | B | -2.6322 | |
| 381 | N | B | -2.7709 | |
| 382 | A | B | -2.4953 | |
| 383 | K | B | -3.3672 | |
| 384 | A | B | -3.1918 | |
| 385 | K | B | -3.3371 | |
| 386 | T | B | -2.7827 | |
| 387 | D | B | -2.5561 | |
| 388 | H | B | -1.8564 | |
| 389 | G | B | -2.0208 | |
| 390 | A | B | -1.6044 | |
| 391 | E | B | -1.5157 | |
| 392 | I | B | 0.2855 | |
| 393 | V | B | 1.1914 | |
| 394 | Y | B | 0.5658 | |
| 395 | K | B | -0.8291 | |
| 396 | S | B | 0.0043 | |
| 397 | P | B | 0.8184 | |
| 398 | V | B | 2.1773 | |
| 399 | V | B | 2.3044 | |
| 400 | S | B | 0.3921 | |
| 401 | G | B | -0.9316 | |
| 402 | D | B | -1.9488 | |
| 403 | T | B | -1.7507 | |
| 404 | S | B | -1.5609 | |
| 405 | P | B | -1.7934 | |
| 406 | R | B | -2.0647 | |
| 407 | H | B | -1.5291 | |
| 408 | L | B | 0.4325 | |
| 409 | S | B | -0.0781 | |
| 410 | N | B | -0.4191 | |
| 411 | V | B | 1.0950 | |
| 412 | S | B | -0.0138 | |
| 413 | S | B | 0.0551 | |
| 414 | T | B | 0.0077 | |
| 415 | G | B | -0.0524 | |
| 416 | S | B | 0.0869 | |
| 417 | I | B | 1.4373 | |
| 418 | D | B | -0.1083 | |
| 419 | M | B | 1.1209 | |
| 420 | V | B | 1.1082 | |
| 421 | D | B | -0.9091 | |
| 422 | S | B | -0.5669 | |
| 423 | P | B | -0.5703 | |
| 424 | Q | B | -0.5474 | |
| 425 | L | B | 0.5562 | |
| 426 | A | B | -0.4171 | |
| 427 | T | B | -0.6684 | |
| 428 | L | B | -0.0506 | |
| 429 | A | B | -0.4130 | |
| 430 | D | B | -1.7734 | |
| 431 | E | B | -1.6834 | |
| 432 | V | B | 0.3036 | |
| 433 | S | B | -0.3871 | |
| 434 | A | B | -0.9055 | |
| 435 | S | B | -0.2993 | |
| 436 | L | B | 0.4835 | |
| 437 | A | B | -0.2522 | |
| 438 | K | B | -1.1780 | |
| 439 | Q | B | -0.2732 | |
| 440 | G | B | -0.0304 | |
| 441 | L | B | 1.2880 |
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 | -0.8761 | 5.0152 | View | CSV | PDB |
| 4.5 | -0.9723 | 5.0152 | View | CSV | PDB |
| 5.0 | -1.0874 | 5.0152 | View | CSV | PDB |
| 5.5 | -1.1924 | 5.0152 | View | CSV | PDB |
| 6.0 | -1.2581 | 5.0152 | View | CSV | PDB |
| 6.5 | -1.2703 | 5.0152 | View | CSV | PDB |
| 7.0 | -1.237 | 5.0152 | View | CSV | PDB |
| 7.5 | -1.1767 | 5.0152 | View | CSV | PDB |
| 8.0 | -1.1027 | 5.0152 | View | CSV | PDB |
| 8.5 | -1.0181 | 5.0152 | View | CSV | PDB |
| 9.0 | -0.9202 | 5.0152 | 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