| Chain sequence(s) | MDEQAGPGVFFSNNHPGAGGAKGLGPLAEAAAAGDGAAAAGAARAQYSLPGILHFLQHEWARFEVERAQWEVERAELQAQIAFLQGERKGQENLKKDLVRRIKMLEYALKQERAKYHKLKYGTELNQGDMKPPSYDSDEGNETEVQPQQNSQFMWKQGRQLLRQYLQEVGYTDTILDVKSKRVRALLGFSSDVTDREDDKNQDSVINGTEAEVKETAMIGKSELTDSASVLDNFKFLENAAADFSDEDEDEDIDGREKSVIDTSTIVRKKPLPDTSEDRDTKEALKEFDFLVASEEGDNESRSAGDGTDWEKEDQCLTPERWNVDQGVITRLKEQYKKERKGKKGVKRPNRSKLQDMLANLRDVDELPSLQPSVGSPSRPSSSRLPEQDISRADEVEALTFPPSSGKSFIMGADEALESELGLGELAGLTVANEADSLAYDIANNKDALRKTWNPKFTLRSHFDGIRALAFHPIEPVLITASEDHTLKMWNLQKTAPAKKSTSLDVEPIYTFRAHKGPVLCVVMSSNGEQCYSGGTDGLIQSWSTTNPNVDPYDSYDPSVLRGPLLGHTDAVWGLAYSAAHQRLLSCSADGTLRLWTTTEVAPALTVFNDNQELGIPASVDLVSSDPSHMVASFSKGYTSIFNMETQQRILTLESNVDSTASSSCQINRVISHPTLPISITAHEDRHIKFYDNNTGKLIHSMVAHLEAVTSLAVDPNGLYLMSGSHDCSIRLWNLESKTCIQEFTAHRKKFEESIHDVAFHPSKCYIASAGADALAKVFV 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] (00:00:04)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:04)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:04)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:04)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:17)
[INFO] FoldX: Starting FoldX energy minimization (00:00:17)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:40:22)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/18dd8f0d5c05ff/tmp/folded.pdb (00:40:22)
[INFO] Main: Simulation completed successfully. (00:52:34)
|
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 | -0.4415 | |
| 2 | D | A | -2.4272 | |
| 3 | E | A | -3.0407 | |
| 4 | Q | A | -2.5135 | |
| 5 | A | A | -1.5496 | |
| 6 | G | A | -1.0214 | |
| 7 | P | A | -0.1164 | |
| 8 | G | A | 0.9286 | |
| 9 | V | A | 2.8330 | |
| 10 | F | A | 3.3395 | |
| 11 | F | A | 2.6524 | |
| 12 | S | A | 0.4597 | |
| 13 | N | A | -1.4078 | |
| 14 | N | A | -2.2961 | |
| 15 | H | A | -2.1587 | |
| 16 | P | A | -1.3067 | |
| 17 | G | A | -1.0901 | |
| 18 | A | A | -0.5456 | |
| 19 | G | A | -0.7907 | |
| 20 | G | A | -1.0624 | |
| 21 | A | A | -1.0121 | |
| 22 | K | A | -1.6849 | |
| 23 | G | A | -0.5572 | |
| 24 | L | A | 0.6217 | |
| 25 | G | A | 0.1619 | |
| 26 | P | A | 0.4163 | |
| 27 | L | A | 0.9721 | |
| 28 | A | A | -0.1120 | |
| 29 | E | A | -1.4423 | |
| 30 | A | A | -0.7729 | |
| 31 | A | A | -0.2433 | |
| 32 | A | A | -0.1512 | |
| 33 | A | A | -0.5134 | |
| 34 | G | A | -1.3791 | |
| 35 | D | A | -2.2116 | |
| 36 | G | A | -1.3869 | |
| 37 | A | A | -0.4969 | |
| 38 | A | A | 0.0321 | |
| 39 | A | A | 0.0300 | |
| 40 | A | A | -0.1128 | |
| 41 | G | A | -0.3851 | |
| 42 | A | A | -0.5112 | |
| 43 | A | A | -1.0122 | |
| 44 | R | A | -2.0398 | |
| 45 | A | A | -1.0849 | |
| 46 | Q | A | -1.0088 | |
| 47 | Y | A | 1.0183 | |
| 48 | S | A | 1.0936 | |
| 49 | L | A | 2.1244 | |
| 50 | P | A | 1.1889 | |
| 51 | G | A | 0.9640 | |
| 52 | I | A | 1.9017 | |
| 53 | L | A | 1.6471 | |
| 54 | H | A | 0.1551 | |
| 55 | F | A | 1.1718 | |
| 56 | L | A | 0.6460 | |
| 57 | Q | A | -0.7554 | |
| 58 | H | A | -1.1147 | |
| 59 | E | A | -0.6589 | |
| 60 | W | A | -0.1870 | |
| 61 | A | A | -1.1834 | |
| 62 | R | A | -2.2415 | |
| 63 | F | A | -1.5136 | |
| 64 | E | A | -2.1302 | |
| 65 | V | A | -1.0907 | |
| 66 | E | A | -2.7504 | |
| 67 | R | A | -3.1151 | |
| 68 | A | A | -2.0920 | |
| 69 | Q | A | -2.1200 | |
| 70 | W | A | -1.9451 | |
| 71 | E | A | -2.4744 | |
| 72 | V | A | -1.0059 | |
| 73 | E | A | -2.4383 | |
| 74 | R | A | -2.8456 | |
| 75 | A | A | -1.8515 | |
| 76 | E | A | -2.1351 | |
| 77 | L | A | -0.4585 | |
| 78 | Q | A | -0.9371 | |
| 79 | A | A | -0.4515 | |
| 80 | Q | A | 0.1819 | |
| 81 | I | A | 1.3311 | |
| 82 | A | A | 0.5228 | |
| 83 | F | A | 1.1142 | |
| 84 | L | A | -0.1527 | |
| 85 | Q | A | -1.8488 | |
| 86 | G | A | -2.1436 | |
| 87 | E | A | -3.6911 | |
| 88 | R | A | -4.6378 | |
| 89 | K | A | -4.7952 | |
| 90 | G | A | -4.2430 | |
| 91 | Q | A | -4.8241 | |
| 92 | E | A | -5.1729 | |
| 93 | N | A | -4.2519 | |
| 94 | L | A | -2.5465 | |
| 95 | K | A | -3.8519 | |
| 96 | K | A | -3.9991 | |
| 97 | D | A | -3.5449 | |
| 98 | L | A | -1.3393 | |
| 99 | V | A | -1.0064 | |
| 100 | R | A | -2.3839 | |
| 101 | R | A | -2.0777 | |
| 102 | I | A | 0.1312 | |
| 103 | K | A | -0.7438 | |
| 104 | M | A | -0.0387 | |
| 105 | L | A | 0.3188 | |
| 106 | E | A | -1.2412 | |
| 107 | Y | A | -1.0403 | |
| 108 | A | A | -0.6712 | |
| 109 | L | A | -1.4100 | |
| 110 | K | A | -2.0125 | |
| 111 | Q | A | -2.4464 | |
| 112 | E | A | -3.4814 | |
| 113 | R | A | -2.9512 | |
| 114 | A | A | -2.9667 | |
| 115 | K | A | -2.9996 | |
| 116 | Y | A | -1.1049 | |
| 117 | H | A | -1.5154 | |
| 118 | K | A | -1.8029 | |
| 119 | L | A | 0.0272 | |
| 120 | K | A | -0.6467 | |
| 121 | Y | A | 0.2983 | |
| 122 | G | A | -0.6487 | |
| 123 | T | A | -1.4049 | |
| 124 | E | A | -2.3512 | |
| 125 | L | A | -1.9894 | |
| 126 | N | A | -2.3702 | |
| 127 | Q | A | -2.2123 | |
| 128 | G | A | -2.1853 | |
| 129 | D | A | -2.8103 | |
| 130 | M | A | -1.8785 | |
| 131 | K | A | -2.3336 | |
| 132 | P | A | -1.1413 | |
| 133 | P | A | -1.1140 | |
| 134 | S | A | -1.1600 | |
| 135 | Y | A | -0.8530 | |
| 136 | D | A | -2.2784 | |
| 137 | S | A | -2.4582 | |
| 138 | D | A | -3.7296 | |
| 139 | E | A | -3.7808 | |
| 140 | G | A | -2.9464 | |
| 141 | N | A | -3.4590 | |
| 142 | E | A | -3.2721 | |
| 143 | T | A | -1.9241 | |
| 144 | E | A | -1.9031 | |
| 145 | V | A | -0.1809 | |
| 146 | Q | A | -1.3270 | |
| 147 | P | A | -1.6082 | |
| 148 | Q | A | -2.3233 | |
| 149 | Q | A | -2.1869 | |
| 150 | N | A | -1.0967 | |
| 151 | S | A | -0.6992 | |
| 152 | Q | A | -0.9248 | |
| 153 | F | A | 0.5603 | |
| 154 | M | A | 0.4112 | |
| 155 | W | A | -0.1803 | |
| 156 | K | A | -1.7925 | |
| 157 | Q | A | -1.8004 | |
| 158 | G | A | -1.3596 | |
| 159 | R | A | -2.7446 | |
| 160 | Q | A | -2.5140 | |
| 161 | L | A | -0.6408 | |
| 162 | L | A | -1.0986 | |
| 163 | R | A | -2.6072 | |
| 164 | Q | A | -1.7144 | |
| 165 | Y | A | 0.3144 | |
| 166 | L | A | -0.3373 | |
| 167 | Q | A | -1.7078 | |
| 168 | E | A | -1.5401 | |
| 169 | V | A | 0.5059 | |
| 170 | G | A | -0.3262 | |
| 171 | Y | A | 0.0411 | |
| 172 | T | A | -1.1860 | |
| 173 | D | A | -1.9257 | |
| 174 | T | A | -0.5647 | |
| 175 | I | A | 0.0930 | |
| 176 | L | A | -0.5802 | |
| 177 | D | A | -1.7834 | |
| 178 | V | A | -0.3813 | |
| 179 | K | A | -1.4487 | |
| 180 | S | A | -1.5112 | |
| 181 | K | A | -2.1288 | |
| 182 | R | A | -1.8178 | |
| 183 | V | A | -0.0307 | |
| 184 | R | A | -0.4825 | |
| 185 | A | A | 0.0699 | |
| 186 | L | A | 1.6779 | |
| 187 | L | A | 1.9895 | |
| 188 | G | A | 0.9900 | |
| 189 | F | A | 1.3405 | |
| 190 | S | A | -0.0147 | |
| 191 | S | A | -0.4285 | |
| 192 | D | A | -0.9129 | |
| 193 | V | A | 0.4057 | |
| 194 | T | A | -1.2344 | |
| 195 | D | A | -2.6760 | |
| 196 | R | A | -4.2672 | |
| 197 | E | A | -4.7915 | |
| 198 | D | A | -4.4296 | |
| 199 | D | A | -4.3724 | |
| 200 | K | A | -4.1812 | |
| 201 | N | A | -3.6064 | |
| 202 | Q | A | -3.1779 | |
| 203 | D | A | -2.5928 | |
| 204 | S | A | -0.2223 | |
| 205 | V | A | 1.9877 | |
| 206 | I | A | 2.1460 | |
| 207 | N | A | -0.2070 | |
| 208 | G | A | -0.9277 | |
| 209 | T | A | -1.4547 | |
| 210 | E | A | -2.3432 | |
| 211 | A | A | -1.4103 | |
| 212 | E | A | -1.8762 | |
| 213 | V | A | -0.4777 | |
| 214 | K | A | -2.1687 | |
| 215 | E | A | -2.3892 | |
| 216 | T | A | -0.9848 | |
| 217 | A | A | 0.3558 | |
| 218 | M | A | 1.7389 | |
| 219 | I | A | 1.8661 | |
| 220 | G | A | -0.1042 | |
| 221 | K | A | -1.9074 | |
| 222 | S | A | -1.4629 | |
| 223 | E | A | -1.9192 | |
| 224 | L | A | -0.0894 | |
| 225 | T | A | -0.7776 | |
| 226 | D | A | -1.3708 | |
| 227 | S | A | -0.3092 | |
| 228 | A | A | -0.3254 | |
| 229 | S | A | -0.1517 | |
| 230 | V | A | 1.1920 | |
| 231 | L | A | 0.8790 | |
| 232 | D | A | -0.9894 | |
| 233 | N | A | -0.4215 | |
| 234 | F | A | 0.8513 | |
| 235 | K | A | -0.7901 | |
| 236 | F | A | 1.0150 | |
| 237 | L | A | 1.0467 | |
| 238 | E | A | -1.4310 | |
| 239 | N | A | -1.2992 | |
| 240 | A | A | -0.4015 | |
| 241 | A | A | -0.3225 | |
| 242 | A | A | -1.0811 | |
| 243 | D | A | -1.6282 | |
| 244 | F | A | 0.2060 | |
| 245 | S | A | -1.2243 | |
| 246 | D | A | -3.0877 | |
| 247 | E | A | -4.0749 | |
| 248 | D | A | -4.5746 | |
| 249 | E | A | -4.8723 | |
| 250 | D | A | -4.3245 | |
| 251 | E | A | -3.7785 | |
| 252 | D | A | -2.6803 | |
| 253 | I | A | -0.4399 | |
| 254 | D | A | -1.8621 | |
| 255 | G | A | -2.1751 | |
| 256 | R | A | -3.6793 | |
| 257 | E | A | -3.7296 | |
| 258 | K | A | -2.4829 | |
| 259 | S | A | -0.4981 | |
| 260 | V | A | 1.8875 | |
| 261 | I | A | 1.7262 | |
| 262 | D | A | -0.4603 | |
| 263 | T | A | -0.5899 | |
| 264 | S | A | 0.0608 | |
| 265 | T | A | 0.9473 | |
| 266 | I | A | 2.1675 | |
| 267 | V | A | 1.2000 | |
| 268 | R | A | -1.7731 | |
| 269 | K | A | -2.6862 | |
| 270 | K | A | -2.5510 | |
| 271 | P | A | -1.1600 | |
| 272 | L | A | 0.4035 | |
| 273 | P | A | -0.4678 | |
| 274 | D | A | -1.9445 | |
| 275 | T | A | -1.7933 | |
| 276 | S | A | -2.2683 | |
| 277 | E | A | -3.9168 | |
| 278 | D | A | -4.6426 | |
| 279 | R | A | -4.8940 | |
| 280 | D | A | -4.4700 | |
| 281 | T | A | -3.2929 | |
| 282 | K | A | -4.0718 | |
| 283 | E | A | -4.0090 | |
| 284 | A | A | -2.0963 | |
| 285 | L | A | -0.7590 | |
| 286 | K | A | -2.4002 | |
| 287 | E | A | -1.5631 | |
| 288 | F | A | 1.4355 | |
| 289 | D | A | 1.0482 | |
| 290 | F | A | 2.6544 | |
| 291 | L | A | 3.2132 | |
| 292 | V | A | 2.7045 | |
| 293 | A | A | 1.0774 | |
| 294 | S | A | -0.5736 | |
| 295 | E | A | -2.8033 | |
| 296 | E | A | -3.3769 | |
| 297 | G | A | -2.9241 | |
| 298 | D | A | -3.6447 | |
| 299 | N | A | -3.1963 | |
| 300 | E | A | -3.3237 | |
| 301 | S | A | -2.3838 | |
| 302 | R | A | -2.5237 | |
| 303 | S | A | -1.2425 | |
| 304 | A | A | -1.0842 | |
| 305 | G | A | -1.6693 | |
| 306 | D | A | -2.2415 | |
| 307 | G | A | -1.8301 | |
| 308 | T | A | -1.5569 | |
| 309 | D | A | -2.0052 | |
| 310 | W | A | -1.3096 | |
| 311 | E | A | -3.1469 | |
| 312 | K | A | -4.1138 | |
| 313 | E | A | -4.0431 | |
| 314 | D | A | -3.6305 | |
| 315 | Q | A | -2.0472 | |
| 316 | C | A | 0.2477 | |
| 317 | L | A | 1.3195 | |
| 318 | T | A | -0.2175 | |
| 319 | P | A | -1.1766 | |
| 320 | E | A | -2.7208 | |
| 321 | R | A | -2.4618 | |
| 322 | W | A | -0.8847 | |
| 323 | N | A | -1.7978 | |
| 324 | V | A | -0.7955 | |
| 325 | D | A | -1.8296 | |
| 326 | Q | A | -1.4764 | |
| 327 | G | A | -0.7549 | |
| 328 | V | A | 0.2185 | |
| 329 | I | A | -0.0648 | |
| 330 | T | A | -1.1687 | |
| 331 | R | A | -2.0191 | |
| 332 | L | A | -0.4878 | |
| 333 | K | A | -2.4233 | |
| 334 | E | A | -3.4857 | |
| 335 | Q | A | -3.4413 | |
| 336 | Y | A | -2.6059 | |
| 337 | K | A | -4.4344 | |
| 338 | K | A | -5.0305 | |
| 339 | E | A | -5.1594 | |
| 340 | R | A | -5.3457 | |
| 341 | K | A | -5.2367 | |
| 342 | G | A | -4.2380 | |
| 343 | K | A | -4.1222 | |
| 344 | K | A | -3.6834 | |
| 345 | G | A | -1.8472 | |
| 346 | V | A | -0.5417 | |
| 347 | K | A | -2.3606 | |
| 348 | R | A | -2.8998 | |
| 349 | P | A | -2.8488 | |
| 350 | N | A | -3.6341 | |
| 351 | R | A | -3.6051 | |
| 352 | S | A | -2.7281 | |
| 353 | K | A | -3.0478 | |
| 354 | L | A | -2.0211 | |
| 355 | Q | A | -2.2922 | |
| 356 | D | A | -1.9641 | |
| 357 | M | A | -0.6125 | |
| 358 | L | A | -0.2527 | |
| 359 | A | A | -1.2318 | |
| 360 | N | A | -1.2648 | |
| 361 | L | A | -0.0726 | |
| 362 | R | A | -2.1099 | |
| 363 | D | A | -2.4420 | |
| 364 | V | A | -0.5789 | |
| 365 | D | A | -2.0579 | |
| 366 | E | A | -2.1290 | |
| 367 | L | A | 0.3001 | |
| 368 | P | A | -0.0061 | |
| 369 | S | A | 0.1525 | |
| 370 | L | A | 0.6841 | |
| 371 | Q | A | -0.6155 | |
| 372 | P | A | -0.2578 | |
| 373 | S | A | 0.1646 | |
| 374 | V | A | 1.3581 | |
| 375 | G | A | 0.1848 | |
| 376 | S | A | -0.2844 | |
| 377 | P | A | -0.9124 | |
| 378 | S | A | -1.3200 | |
| 379 | R | A | -2.1857 | |
| 380 | P | A | -1.4926 | |
| 381 | S | A | -0.8914 | |
| 382 | S | A | -0.8005 | |
| 383 | S | A | -0.9551 | |
| 384 | R | A | -1.2876 | |
| 385 | L | A | 0.1688 | |
| 386 | P | A | -0.9469 | |
| 387 | E | A | -2.7356 | |
| 388 | Q | A | -2.7435 | |
| 389 | D | A | -1.9742 | |
| 390 | I | A | 0.4600 | |
| 391 | S | A | -0.4564 | |
| 392 | R | A | -1.8797 | |
| 393 | A | A | -2.1770 | |
| 394 | D | A | -2.9575 | |
| 395 | E | A | -2.3762 | |
| 396 | V | A | -0.4937 | |
| 397 | E | A | -1.0582 | |
| 398 | A | A | 0.3268 | |
| 399 | L | A | 1.5424 | |
| 400 | T | A | 1.5249 | |
| 401 | F | A | 1.9650 | |
| 402 | P | A | 0.7038 | |
| 403 | P | A | -0.0972 | |
| 404 | S | A | -0.3993 | |
| 405 | S | A | -1.0068 | |
| 406 | G | A | -1.4985 | |
| 407 | K | A | -1.6348 | |
| 408 | S | A | 0.3984 | |
| 409 | F | A | 2.5996 | |
| 410 | I | A | 3.3005 | |
| 411 | M | A | 1.7699 | |
| 412 | G | A | -0.1322 | |
| 413 | A | A | -0.6537 | |
| 414 | D | A | -2.5500 | |
| 415 | E | A | -3.0857 | |
| 416 | A | A | -1.5333 | |
| 417 | L | A | -0.8105 | |
| 418 | E | A | -2.1630 | |
| 419 | S | A | -1.8549 | |
| 420 | E | A | -1.4861 | |
| 421 | L | A | 0.4294 | |
| 422 | G | A | -0.1410 | |
| 423 | L | A | 0.5248 | |
| 424 | G | A | -1.1459 | |
| 425 | E | A | -0.8722 | |
| 426 | L | A | 1.2185 | |
| 427 | A | A | 0.8782 | |
| 428 | G | A | 0.6251 | |
| 429 | L | A | 1.9200 | |
| 430 | T | A | 1.5010 | |
| 431 | V | A | 1.4420 | |
| 432 | A | A | -0.0780 | |
| 433 | N | A | -1.7968 | |
| 434 | E | A | -2.6414 | |
| 435 | A | A | -1.6454 | |
| 436 | D | A | -2.1189 | |
| 437 | S | A | -0.3504 | |
| 438 | L | A | 1.1368 | |
| 439 | A | A | 0.9674 | |
| 440 | Y | A | 1.4255 | |
| 441 | D | A | -0.3325 | |
| 442 | I | A | 0.8607 | |
| 443 | A | A | -0.5715 | |
| 444 | N | A | -2.3777 | |
| 445 | N | A | -2.6945 | |
| 446 | K | A | -3.2931 | |
| 447 | D | A | -3.2691 | |
| 448 | A | A | -1.6687 | |
| 449 | L | A | -0.6708 | |
| 450 | R | A | -1.9913 | |
| 451 | K | A | -2.1798 | |
| 452 | T | A | -1.3159 | |
| 453 | W | A | -1.0589 | |
| 454 | N | A | -1.5660 | |
| 455 | P | A | -1.1580 | |
| 456 | K | A | -1.3562 | |
| 457 | F | A | 0.0000 | |
| 458 | T | A | -0.8089 | |
| 459 | L | A | 0.0000 | |
| 460 | R | A | -1.2466 | |
| 461 | S | A | -0.4069 | |
| 462 | H | A | 0.0000 | |
| 463 | F | A | 1.1504 | |
| 464 | D | A | -0.2549 | |
| 465 | G | A | 0.0000 | |
| 466 | I | A | 0.0000 | |
| 467 | R | A | -0.4660 | |
| 468 | A | A | 0.0000 | |
| 469 | L | A | 0.0000 | |
| 470 | A | A | 0.1041 | |
| 471 | F | A | 0.0000 | |
| 472 | H | A | 0.0000 | |
| 473 | P | A | 0.0871 | |
| 474 | I | A | 1.2275 | |
| 475 | E | A | -0.1817 | |
| 476 | P | A | -0.5019 | |
| 477 | V | A | 0.0000 | |
| 478 | L | A | 0.0000 | |
| 479 | I | A | 0.0000 | |
| 480 | T | A | 0.0000 | |
| 481 | A | A | 0.0000 | |
| 482 | S | A | 0.0000 | |
| 483 | E | A | -0.8902 | |
| 484 | D | A | -0.8648 | |
| 485 | H | A | -1.6094 | |
| 486 | T | A | 0.0000 | |
| 487 | L | A | 0.0000 | |
| 488 | K | A | 0.0000 | |
| 489 | M | A | 0.0000 | |
| 490 | W | A | 0.0000 | |
| 491 | N | A | 0.0000 | |
| 492 | L | A | 0.0000 | |
| 493 | Q | A | -1.9500 | |
| 494 | K | A | -2.2520 | |
| 495 | T | A | -1.5104 | |
| 496 | A | A | -1.3416 | |
| 497 | P | A | -1.2485 | |
| 498 | A | A | -1.5322 | |
| 499 | K | A | -2.6290 | |
| 500 | K | A | -2.6757 | |
| 501 | S | A | -1.7022 | |
| 502 | T | A | -1.0363 | |
| 503 | S | A | -0.7932 | |
| 504 | L | A | -0.9606 | |
| 505 | D | A | -1.8099 | |
| 506 | V | A | 0.0000 | |
| 507 | E | A | -1.8625 | |
| 508 | P | A | -0.9098 | |
| 509 | I | A | 0.0000 | |
| 510 | Y | A | -0.5483 | |
| 511 | T | A | -0.3798 | |
| 512 | F | A | 0.0000 | |
| 513 | R | A | -2.1225 | |
| 514 | A | A | -1.3004 | |
| 515 | H | A | 0.0000 | |
| 516 | K | A | -2.2595 | |
| 517 | G | A | -1.3479 | |
| 518 | P | A | -1.1677 | |
| 519 | V | A | 0.0000 | |
| 520 | L | A | -0.0186 | |
| 521 | C | A | 0.0000 | |
| 522 | V | A | 0.0000 | |
| 523 | V | A | 0.2706 | |
| 524 | M | A | 0.0000 | |
| 525 | S | A | 0.0000 | |
| 526 | S | A | -0.7597 | |
| 527 | N | A | -1.2952 | |
| 528 | G | A | 0.0000 | |
| 529 | E | A | -2.4210 | |
| 530 | Q | A | -1.3474 | |
| 531 | C | A | 0.0000 | |
| 532 | Y | A | 0.0000 | |
| 533 | S | A | 0.0000 | |
| 534 | G | A | 0.0000 | |
| 535 | G | A | 0.0000 | |
| 536 | T | A | -0.8328 | |
| 537 | D | A | -1.2990 | |
| 538 | G | A | 0.0000 | |
| 539 | L | A | -0.0634 | |
| 540 | I | A | 0.0000 | |
| 541 | Q | A | 0.0000 | |
| 542 | S | A | 0.0000 | |
| 543 | W | A | 0.0000 | |
| 544 | S | A | -0.9775 | |
| 545 | T | A | -1.0102 | |
| 546 | T | A | -1.2222 | |
| 547 | N | A | -2.0011 | |
| 548 | P | A | -1.7458 | |
| 549 | N | A | -2.2386 | |
| 550 | V | A | -1.6406 | |
| 551 | D | A | -2.0444 | |
| 552 | P | A | -0.9015 | |
| 553 | Y | A | 0.0637 | |
| 554 | D | A | -1.5873 | |
| 555 | S | A | -0.6561 | |
| 556 | Y | A | 0.3249 | |
| 557 | D | A | -0.8932 | |
| 558 | P | A | -0.5899 | |
| 559 | S | A | -0.6212 | |
| 560 | V | A | 0.0000 | |
| 561 | L | A | -0.6083 | |
| 562 | R | A | -0.6649 | |
| 563 | G | A | 0.0529 | |
| 564 | P | A | 0.5664 | |
| 565 | L | A | 0.0000 | |
| 566 | L | A | 1.7076 | |
| 567 | G | A | 0.3960 | |
| 568 | H | A | 0.0000 | |
| 569 | T | A | -0.5928 | |
| 570 | D | A | -1.3597 | |
| 571 | A | A | 0.0000 | |
| 572 | V | A | 0.0000 | |
| 573 | W | A | 0.5760 | |
| 574 | G | A | 0.3176 | |
| 575 | L | A | 0.3189 | |
| 576 | A | A | 0.0000 | |
| 577 | Y | A | -0.1412 | |
| 578 | S | A | 0.0000 | |
| 579 | A | A | -0.6035 | |
| 580 | A | A | -0.4845 | |
| 581 | H | A | -0.9284 | |
| 582 | Q | A | -1.1288 | |
| 583 | R | A | -0.8856 | |
| 584 | L | A | 0.0000 | |
| 585 | L | A | 0.0000 | |
| 586 | S | A | 0.0000 | |
| 587 | C | A | 0.0000 | |
| 588 | S | A | 0.0000 | |
| 589 | A | A | -0.1711 | |
| 590 | D | A | -0.8797 | |
| 591 | G | A | 0.0000 | |
| 592 | T | A | 0.0000 | |
| 593 | L | A | 0.0000 | |
| 594 | R | A | -0.1493 | |
| 595 | L | A | 0.0000 | |
| 596 | W | A | 0.0000 | |
| 597 | T | A | 0.0000 | |
| 598 | T | A | 0.0000 | |
| 599 | T | A | -0.7541 | |
| 600 | E | A | -1.0297 | |
| 601 | V | A | 0.9412 | |
| 602 | A | A | 0.5250 | |
| 603 | P | A | 0.4711 | |
| 604 | A | A | 0.6036 | |
| 605 | L | A | 0.6180 | |
| 606 | T | A | -0.2100 | |
| 607 | V | A | -0.2981 | |
| 608 | F | A | 0.0000 | |
| 609 | N | A | -2.4878 | |
| 610 | D | A | -3.0716 | |
| 611 | N | A | -3.2510 | |
| 612 | Q | A | -3.0259 | |
| 613 | E | A | -2.9793 | |
| 614 | L | A | 0.0000 | |
| 615 | G | A | -1.2294 | |
| 616 | I | A | -0.1449 | |
| 617 | P | A | 0.0000 | |
| 618 | A | A | -0.0776 | |
| 619 | S | A | 0.0000 | |
| 620 | V | A | 0.0000 | |
| 621 | D | A | -0.3358 | |
| 622 | L | A | -0.2118 | |
| 623 | V | A | 0.0000 | |
| 624 | S | A | -0.3304 | |
| 625 | S | A | -0.2459 | |
| 626 | D | A | -0.7875 | |
| 627 | P | A | -0.7325 | |
| 628 | S | A | -0.9938 | |
| 629 | H | A | -1.0430 | |
| 630 | M | A | 0.0000 | |
| 631 | V | A | 0.0000 | |
| 632 | A | A | 0.0000 | |
| 633 | S | A | 0.0000 | |
| 634 | F | A | 0.0000 | |
| 635 | S | A | -0.8390 | |
| 636 | K | A | -1.4852 | |
| 637 | G | A | 0.0000 | |
| 638 | Y | A | -0.3293 | |
| 639 | T | A | 0.0000 | |
| 640 | S | A | 0.0000 | |
| 641 | I | A | 0.0000 | |
| 642 | F | A | 0.0000 | |
| 643 | N | A | -1.5603 | |
| 644 | M | A | 0.0000 | |
| 645 | E | A | -2.3636 | |
| 646 | T | A | -1.9552 | |
| 647 | Q | A | -2.3954 | |
| 648 | Q | A | -2.2035 | |
| 649 | R | A | -1.2699 | |
| 650 | I | A | 0.0480 | |
| 651 | L | A | -0.0619 | |
| 652 | T | A | -0.3063 | |
| 653 | L | A | 0.0000 | |
| 654 | E | A | -1.7643 | |
| 655 | S | A | -1.3680 | |
| 656 | N | A | -1.6249 | |
| 657 | V | A | -0.6702 | |
| 658 | D | A | -1.6919 | |
| 659 | S | A | -0.9263 | |
| 660 | T | A | -0.6019 | |
| 661 | A | A | -0.5139 | |
| 662 | S | A | -0.4548 | |
| 663 | S | A | -0.6422 | |
| 664 | S | A | -0.8838 | |
| 665 | C | A | -0.8684 | |
| 666 | Q | A | -1.2602 | |
| 667 | I | A | 0.0000 | |
| 668 | N | A | -0.6529 | |
| 669 | R | A | -0.6675 | |
| 670 | V | A | 0.0000 | |
| 671 | I | A | 0.0000 | |
| 672 | S | A | 0.0000 | |
| 673 | H | A | 0.0000 | |
| 674 | P | A | -0.0057 | |
| 675 | T | A | 0.2097 | |
| 676 | L | A | 1.2483 | |
| 677 | P | A | 0.1625 | |
| 678 | I | A | 0.5307 | |
| 679 | S | A | 0.0000 | |
| 680 | I | A | 0.0000 | |
| 681 | T | A | 0.0000 | |
| 682 | A | A | 0.0000 | |
| 683 | H | A | 0.0000 | |
| 684 | E | A | -1.6311 | |
| 685 | D | A | -1.1079 | |
| 686 | R | A | -1.1601 | |
| 687 | H | A | -0.2703 | |
| 688 | I | A | 0.0000 | |
| 689 | K | A | 0.0128 | |
| 690 | F | A | 0.0000 | |
| 691 | Y | A | 0.0000 | |
| 692 | D | A | -0.5670 | |
| 693 | N | A | -0.7073 | |
| 694 | N | A | -1.4425 | |
| 695 | T | A | -1.1121 | |
| 696 | G | A | 0.0000 | |
| 697 | K | A | -1.6190 | |
| 698 | L | A | -0.3675 | |
| 699 | I | A | 0.8137 | |
| 700 | H | A | 0.1298 | |
| 701 | S | A | 0.2795 | |
| 702 | M | A | 0.4641 | |
| 703 | V | A | 1.4056 | |
| 704 | A | A | 0.0000 | |
| 705 | H | A | 0.0000 | |
| 706 | L | A | 0.8156 | |
| 707 | E | A | -1.2128 | |
| 708 | A | A | 0.0000 | |
| 709 | V | A | 0.0000 | |
| 710 | T | A | 0.0000 | |
| 711 | S | A | 0.0000 | |
| 712 | L | A | 0.0000 | |
| 713 | A | A | 0.1378 | |
| 714 | V | A | 0.1988 | |
| 715 | D | A | 0.0000 | |
| 716 | P | A | -0.7756 | |
| 717 | N | A | -1.1905 | |
| 718 | G | A | -0.3450 | |
| 719 | L | A | -0.1692 | |
| 720 | Y | A | 0.1731 | |
| 721 | L | A | 0.0000 | |
| 722 | M | A | 0.0000 | |
| 723 | S | A | 0.0000 | |
| 724 | G | A | 0.0000 | |
| 725 | S | A | 0.0000 | |
| 726 | H | A | -1.6117 | |
| 727 | D | A | -1.1235 | |
| 728 | C | A | -1.0251 | |
| 729 | S | A | 0.0000 | |
| 730 | I | A | 0.0000 | |
| 731 | R | A | -0.7193 | |
| 732 | L | A | 0.0000 | |
| 733 | W | A | 0.0000 | |
| 734 | N | A | -0.4963 | |
| 735 | L | A | 0.0000 | |
| 736 | E | A | -1.9475 | |
| 737 | S | A | -1.1600 | |
| 738 | K | A | -0.9950 | |
| 739 | T | A | -0.3142 | |
| 740 | C | A | 0.0524 | |
| 741 | I | A | 0.0835 | |
| 742 | Q | A | -0.6260 | |
| 743 | E | A | -1.5695 | |
| 744 | F | A | -0.8592 | |
| 745 | T | A | -0.6377 | |
| 746 | A | A | 0.0000 | |
| 747 | H | A | 0.0000 | |
| 748 | R | A | -2.6627 | |
| 749 | K | A | -2.2605 | |
| 750 | K | A | -1.1922 | |
| 751 | F | A | 0.4573 | |
| 752 | E | A | -1.9554 | |
| 753 | E | A | -1.6505 | |
| 754 | S | A | 0.0000 | |
| 755 | I | A | 0.0000 | |
| 756 | H | A | 0.0000 | |
| 757 | D | A | 0.0000 | |
| 758 | V | A | 0.0000 | |
| 759 | A | A | 0.1290 | |
| 760 | F | A | 0.1967 | |
| 761 | H | A | 0.0000 | |
| 762 | P | A | -0.2193 | |
| 763 | S | A | -0.2372 | |
| 764 | K | A | -0.2331 | |
| 765 | C | A | 0.5034 | |
| 766 | Y | A | 0.0000 | |
| 767 | I | A | 0.0000 | |
| 768 | A | A | 0.0000 | |
| 769 | S | A | 0.0000 | |
| 770 | A | A | 0.0000 | |
| 771 | G | A | 0.0000 | |
| 772 | A | A | 0.0000 | |
| 773 | D | A | 0.0000 | |
| 774 | A | A | -0.3616 | |
| 775 | L | A | -0.3479 | |
| 776 | A | A | 0.0000 | |
| 777 | K | A | -0.6036 | |
| 778 | V | A | 0.0000 | |
| 779 | F | A | 0.0000 | |
| 780 | V | A | -0.1955 |
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 | -0.417 | 6.7741 | View | CSV | PDB |
| 4.5 | -0.5316 | 6.7741 | View | CSV | PDB |
| 5.0 | -0.6769 | 6.7741 | View | CSV | PDB |
| 5.5 | -0.8288 | 6.7741 | View | CSV | PDB |
| 6.0 | -0.9621 | 6.7741 | View | CSV | PDB |
| 6.5 | -1.0584 | 6.7741 | View | CSV | PDB |
| 7.0 | -1.1121 | 6.7741 | View | CSV | PDB |
| 7.5 | -1.132 | 6.7741 | View | CSV | PDB |
| 8.0 | -1.131 | 6.7741 | View | CSV | PDB |
| 8.5 | -1.1142 | 6.7741 | View | CSV | PDB |
| 9.0 | -1.0803 | 6.7741 | 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