| Chain sequence(s) | MSEQSICQARAAVMVYDDANKKWVPAGGSTGFSRVHIYHHTGNNTFRVVGRKIQDHQVVINCAIPKGLKYNQATQTFHQWRDARQVYGLNFGSKEDANVFASAMMHALEVLNSQEAAQSKVTATQDSTNLRCIFCGPTLPRQNSQLPAQVQNGPSQEEMEIQRRQLQEQQRQKELERERMERERLERERLERERLERERLEQEQLERQRQEREHVERLERERLERLERERQDRERERERLEQLEREQVEWERERRMSNAAPSSDSSLYSAPLPEYSSCQPPSAPPPSYAKVISAPVSDAAPDYAVVTALPPTSTPPTPPLRHSATRFATSLGSAFHPVLPHYATVPRPLNRNSRPSSPVNTPSSQPPAAKSCAWPTSNFSPLPPSPPIMISSPPGKATGPRPVLPVCVSSPVPQMPPSPTAPNGSLDSVTYPVSPPPTSGPAAPPPPPPPPPPPPPPPPPPPLPPLASLSHCGSQASPPPGTPLASTPSSKPSVLPSPSAAAPASVETPLNPELGDSSASEPGLQAASQPAETPAPQGHVLGPPAPPPPPPLPSGPAYASALPPPPGPPPPPPLPSAGPPPPPPPPPPLPNQVPPPPPPPPAPPLPASGIFSGSMSEDNRPLTGLAAAIAGAKLRKVSRVEDGSFPSGGNTVSVNLASSKTDSGRGNGPLPLGGSGLMEEMSALLARRRRIAEKGSTIETEQKEDRSEDAEPVTSKAASTSTPEPTRKPWERTNTMNGSKSPVISRPKSTPSSQPSANGVQTEGLDYDRLKQDILDEMRKELAKLKEELIDAIRQELSKSNTA 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:14)
[INFO] FoldX: Starting FoldX energy minimization (00:00:14)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:32:39)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/4f5e49b1117142/tmp/folded.pdb (00:32:39)
[INFO] Main: Simulation completed successfully. (00:47:17)
|
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 | 0.3390 | |
| 2 | S | A | -0.5347 | |
| 3 | E | A | -1.3678 | |
| 4 | Q | A | -1.4107 | |
| 5 | S | A | -0.7797 | |
| 6 | I | A | -0.0848 | |
| 7 | C | A | 0.0000 | |
| 8 | Q | A | -1.4866 | |
| 9 | A | A | 0.0000 | |
| 10 | R | A | -2.2130 | |
| 11 | A | A | 0.0000 | |
| 12 | A | A | -0.3828 | |
| 13 | V | A | 0.0000 | |
| 14 | M | A | 0.1124 | |
| 15 | V | A | -0.1814 | |
| 16 | Y | A | -1.2593 | |
| 17 | D | A | -2.2312 | |
| 18 | D | A | -3.1067 | |
| 19 | A | A | -2.2519 | |
| 20 | N | A | -3.0484 | |
| 21 | K | A | -3.6217 | |
| 22 | K | A | -2.8849 | |
| 23 | W | A | -0.8394 | |
| 24 | V | A | -0.1906 | |
| 25 | P | A | 0.1429 | |
| 26 | A | A | 0.0000 | |
| 27 | G | A | -0.6809 | |
| 28 | G | A | -0.6547 | |
| 29 | S | A | -0.3831 | |
| 30 | T | A | -0.1254 | |
| 31 | G | A | 0.0617 | |
| 32 | F | A | -0.0376 | |
| 33 | S | A | 0.0000 | |
| 34 | R | A | -2.3660 | |
| 35 | V | A | 0.0000 | |
| 36 | H | A | -1.4274 | |
| 37 | I | A | 0.0000 | |
| 38 | Y | A | -0.6172 | |
| 39 | H | A | -1.0849 | |
| 40 | H | A | -1.3503 | |
| 41 | T | A | -1.0910 | |
| 42 | G | A | -1.1362 | |
| 43 | N | A | -1.5970 | |
| 44 | N | A | -1.1057 | |
| 45 | T | A | -1.0730 | |
| 46 | F | A | 0.0000 | |
| 47 | R | A | -0.8360 | |
| 48 | V | A | 0.0000 | |
| 49 | V | A | -0.8079 | |
| 50 | G | A | 0.0000 | |
| 51 | R | A | -2.2854 | |
| 52 | K | A | 0.0000 | |
| 53 | I | A | -1.4443 | |
| 54 | Q | A | -2.3830 | |
| 55 | D | A | -3.0140 | |
| 56 | H | A | -2.7550 | |
| 57 | Q | A | -1.9655 | |
| 58 | V | A | -0.5266 | |
| 59 | V | A | -0.5914 | |
| 60 | I | A | 0.0000 | |
| 61 | N | A | -1.1607 | |
| 62 | C | A | 0.0000 | |
| 63 | A | A | -0.6740 | |
| 64 | I | A | 0.0000 | |
| 65 | P | A | -1.5569 | |
| 66 | K | A | -2.9982 | |
| 67 | G | A | -2.1803 | |
| 68 | L | A | 0.0000 | |
| 69 | K | A | -2.7113 | |
| 70 | Y | A | 0.0000 | |
| 71 | N | A | -2.1582 | |
| 72 | Q | A | -1.9482 | |
| 73 | A | A | -1.0019 | |
| 74 | T | A | -1.1854 | |
| 75 | Q | A | -2.0177 | |
| 76 | T | A | -1.7625 | |
| 77 | F | A | -1.0089 | |
| 78 | H | A | 0.0000 | |
| 79 | Q | A | -1.3994 | |
| 80 | W | A | 0.0000 | |
| 81 | R | A | -2.8697 | |
| 82 | D | A | -2.0712 | |
| 83 | A | A | -1.4959 | |
| 84 | R | A | -2.3933 | |
| 85 | Q | A | -1.9816 | |
| 86 | V | A | 0.0000 | |
| 87 | Y | A | -0.2692 | |
| 88 | G | A | 0.0000 | |
| 89 | L | A | 0.0000 | |
| 90 | N | A | -1.0737 | |
| 91 | F | A | 0.0000 | |
| 92 | G | A | -1.1041 | |
| 93 | S | A | -2.0744 | |
| 94 | K | A | -2.8794 | |
| 95 | E | A | -2.9492 | |
| 96 | D | A | -2.1628 | |
| 97 | A | A | 0.0000 | |
| 98 | N | A | -1.8116 | |
| 99 | V | A | -0.1694 | |
| 100 | F | A | 0.0000 | |
| 101 | A | A | 0.0000 | |
| 102 | S | A | -0.0483 | |
| 103 | A | A | -0.1721 | |
| 104 | M | A | 0.0000 | |
| 105 | M | A | -0.4591 | |
| 106 | H | A | -1.2613 | |
| 107 | A | A | 0.0000 | |
| 108 | L | A | 0.0000 | |
| 109 | E | A | -2.5317 | |
| 110 | V | A | -1.5555 | |
| 111 | L | A | 0.0000 | |
| 112 | N | A | -2.9545 | |
| 113 | S | A | -2.1077 | |
| 114 | Q | A | -2.3842 | |
| 115 | E | A | -3.2033 | |
| 116 | A | A | -1.7863 | |
| 117 | A | A | -1.5948 | |
| 118 | Q | A | -2.0029 | |
| 119 | S | A | -1.6253 | |
| 120 | K | A | -1.7189 | |
| 121 | V | A | -0.0001 | |
| 122 | T | A | -0.7560 | |
| 123 | A | A | -0.9597 | |
| 124 | T | A | -1.0832 | |
| 125 | Q | A | -2.1596 | |
| 126 | D | A | -2.3789 | |
| 127 | S | A | -1.7318 | |
| 128 | T | A | -1.5189 | |
| 129 | N | A | -1.3890 | |
| 130 | L | A | 0.2450 | |
| 131 | R | A | -0.2576 | |
| 132 | C | A | 1.5489 | |
| 133 | I | A | 3.0797 | |
| 134 | F | A | 3.0324 | |
| 135 | C | A | 1.9532 | |
| 136 | G | A | 0.4450 | |
| 137 | P | A | 0.1908 | |
| 138 | T | A | 0.4172 | |
| 139 | L | A | 0.9425 | |
| 140 | P | A | -0.6647 | |
| 141 | R | A | -2.4770 | |
| 142 | Q | A | -2.8358 | |
| 143 | N | A | -2.6339 | |
| 144 | S | A | -1.3910 | |
| 145 | Q | A | -0.8663 | |
| 146 | L | A | 0.6765 | |
| 147 | P | A | 0.1597 | |
| 148 | A | A | -0.1683 | |
| 149 | Q | A | -0.6884 | |
| 150 | V | A | 0.2288 | |
| 151 | Q | A | -1.3801 | |
| 152 | N | A | -1.7230 | |
| 153 | G | A | -1.4377 | |
| 154 | P | A | -1.7170 | |
| 155 | S | A | -2.0704 | |
| 156 | Q | A | -2.6472 | |
| 157 | E | A | -3.4036 | |
| 158 | E | A | -3.1161 | |
| 159 | M | A | -2.6788 | |
| 160 | E | A | -3.3693 | |
| 161 | I | A | -1.9842 | |
| 162 | Q | A | -2.7745 | |
| 163 | R | A | -3.8064 | |
| 164 | R | A | -4.0560 | |
| 165 | Q | A | -3.4108 | |
| 166 | L | A | -2.2901 | |
| 167 | Q | A | -3.9310 | |
| 168 | E | A | -4.9005 | |
| 169 | Q | A | -3.6826 | |
| 170 | Q | A | -3.8836 | |
| 171 | R | A | -4.6030 | |
| 172 | Q | A | -3.9695 | |
| 173 | K | A | -4.2926 | |
| 174 | E | A | -4.2245 | |
| 175 | L | A | -3.0678 | |
| 176 | E | A | -4.1130 | |
| 177 | R | A | -4.9288 | |
| 178 | E | A | -4.9282 | |
| 179 | R | A | -4.9998 | |
| 180 | M | A | -4.2676 | |
| 181 | E | A | -5.4386 | |
| 182 | R | A | -5.9114 | |
| 183 | E | A | -5.9519 | |
| 184 | R | A | -5.4829 | |
| 185 | L | A | -4.3213 | |
| 186 | E | A | -5.4854 | |
| 187 | R | A | -5.8114 | |
| 188 | E | A | -5.4300 | |
| 189 | R | A | -5.2226 | |
| 190 | L | A | -4.2498 | |
| 191 | E | A | -5.3431 | |
| 192 | R | A | -5.8075 | |
| 193 | E | A | -5.5100 | |
| 194 | R | A | -5.3641 | |
| 195 | L | A | -4.4343 | |
| 196 | E | A | -5.2464 | |
| 197 | R | A | -5.6012 | |
| 198 | E | A | -5.4761 | |
| 199 | R | A | -4.7243 | |
| 200 | L | A | -3.0971 | |
| 201 | E | A | -4.4004 | |
| 202 | Q | A | -4.3267 | |
| 203 | E | A | -4.2817 | |
| 204 | Q | A | -4.0549 | |
| 205 | L | A | -3.3716 | |
| 206 | E | A | -5.0561 | |
| 207 | R | A | -5.6308 | |
| 208 | Q | A | -4.9148 | |
| 209 | R | A | -5.3805 | |
| 210 | Q | A | -5.2513 | |
| 211 | E | A | -5.2328 | |
| 212 | R | A | -5.0170 | |
| 213 | E | A | -4.4408 | |
| 214 | H | A | -3.6222 | |
| 215 | V | A | -2.4951 | |
| 216 | E | A | -4.4966 | |
| 217 | R | A | -4.5896 | |
| 218 | L | A | -3.3444 | |
| 219 | E | A | -4.6413 | |
| 220 | R | A | -5.1234 | |
| 221 | E | A | -5.2306 | |
| 222 | R | A | -5.0612 | |
| 223 | L | A | -3.2928 | |
| 224 | E | A | -4.9962 | |
| 225 | R | A | -5.2862 | |
| 226 | L | A | -3.7808 | |
| 227 | E | A | -5.2760 | |
| 228 | R | A | -5.8833 | |
| 229 | E | A | -5.4879 | |
| 230 | R | A | -6.3293 | |
| 231 | Q | A | -6.3418 | |
| 232 | D | A | -6.8800 | |
| 233 | R | A | -7.3636 | |
| 234 | E | A | -7.2936 | |
| 235 | R | A | -7.1259 | |
| 236 | E | A | -7.0343 | |
| 237 | R | A | -6.3666 | |
| 238 | E | A | -6.3164 | |
| 239 | R | A | -5.5734 | |
| 240 | L | A | -3.7684 | |
| 241 | E | A | -4.4484 | |
| 242 | Q | A | -3.9316 | |
| 243 | L | A | -2.2661 | |
| 244 | E | A | -3.3079 | |
| 245 | R | A | -3.3962 | |
| 246 | E | A | -2.3208 | |
| 247 | Q | A | -2.1789 | |
| 248 | V | A | -1.4432 | |
| 249 | E | A | -2.9949 | |
| 250 | W | A | -2.3640 | |
| 251 | E | A | -3.0530 | |
| 252 | R | A | -3.8349 | |
| 253 | E | A | -3.9979 | |
| 254 | R | A | -4.2296 | |
| 255 | R | A | -4.0876 | |
| 256 | M | A | -1.9784 | |
| 257 | S | A | -2.3343 | |
| 258 | N | A | -2.5758 | |
| 259 | A | A | -1.2298 | |
| 260 | A | A | -0.5562 | |
| 261 | P | A | -0.7109 | |
| 262 | S | A | -0.8762 | |
| 263 | S | A | -1.2873 | |
| 264 | D | A | -2.1268 | |
| 265 | S | A | -0.8105 | |
| 266 | S | A | 0.2572 | |
| 267 | L | A | 2.0245 | |
| 268 | Y | A | 1.9546 | |
| 269 | S | A | 0.7686 | |
| 270 | A | A | 0.4092 | |
| 271 | P | A | 0.4192 | |
| 272 | L | A | 0.8608 | |
| 273 | P | A | -0.1171 | |
| 274 | E | A | -0.9496 | |
| 275 | Y | A | 0.2045 | |
| 276 | S | A | 0.0632 | |
| 277 | S | A | 0.0839 | |
| 278 | C | A | -0.0529 | |
| 279 | Q | A | -1.0718 | |
| 280 | P | A | -0.8667 | |
| 281 | P | A | -0.7125 | |
| 282 | S | A | -0.4351 | |
| 283 | A | A | -0.2871 | |
| 284 | P | A | -0.4376 | |
| 285 | P | A | -0.5465 | |
| 286 | P | A | -0.3077 | |
| 287 | S | A | 0.2614 | |
| 288 | Y | A | 0.8657 | |
| 289 | A | A | 0.1624 | |
| 290 | K | A | -0.1331 | |
| 291 | V | A | 1.8954 | |
| 292 | I | A | 2.4646 | |
| 293 | S | A | 1.0803 | |
| 294 | A | A | 0.5900 | |
| 295 | P | A | 0.5647 | |
| 296 | V | A | 1.1669 | |
| 297 | S | A | -0.3475 | |
| 298 | D | A | -1.4748 | |
| 299 | A | A | -0.9024 | |
| 300 | A | A | -0.8776 | |
| 301 | P | A | -0.7980 | |
| 302 | D | A | -1.1756 | |
| 303 | Y | A | 0.6867 | |
| 304 | A | A | 1.4561 | |
| 305 | V | A | 2.9340 | |
| 306 | V | A | 2.6384 | |
| 307 | T | A | 1.6207 | |
| 308 | A | A | 1.0659 | |
| 309 | L | A | 1.3492 | |
| 310 | P | A | 0.4656 | |
| 311 | P | A | -0.0945 | |
| 312 | T | A | -0.2123 | |
| 313 | S | A | -0.3884 | |
| 314 | T | A | -0.3899 | |
| 315 | P | A | -0.4848 | |
| 316 | P | A | -0.4904 | |
| 317 | T | A | -0.4462 | |
| 318 | P | A | -0.1727 | |
| 319 | P | A | -0.0479 | |
| 320 | L | A | 0.1777 | |
| 321 | R | A | -1.6982 | |
| 322 | H | A | -1.7693 | |
| 323 | S | A | -1.1251 | |
| 324 | A | A | -0.8784 | |
| 325 | T | A | -0.6164 | |
| 326 | R | A | -0.9187 | |
| 327 | F | A | 1.0535 | |
| 328 | A | A | 0.5963 | |
| 329 | T | A | 0.5651 | |
| 330 | S | A | 0.4066 | |
| 331 | L | A | 1.1567 | |
| 332 | G | A | 0.1375 | |
| 333 | S | A | 0.2815 | |
| 334 | A | A | 0.5821 | |
| 335 | F | A | 1.4010 | |
| 336 | H | A | 0.1696 | |
| 337 | P | A | 0.7573 | |
| 338 | V | A | 2.2129 | |
| 339 | L | A | 2.0964 | |
| 340 | P | A | 0.7766 | |
| 341 | H | A | -0.0583 | |
| 342 | Y | A | 0.7189 | |
| 343 | A | A | 0.7933 | |
| 344 | T | A | 1.0069 | |
| 345 | V | A | 1.2177 | |
| 346 | P | A | -0.2253 | |
| 347 | R | A | -1.5107 | |
| 348 | P | A | -0.7838 | |
| 349 | L | A | -0.0370 | |
| 350 | N | A | -1.9066 | |
| 351 | R | A | -2.8013 | |
| 352 | N | A | -2.8746 | |
| 353 | S | A | -2.1457 | |
| 354 | R | A | -2.3900 | |
| 355 | P | A | -1.4945 | |
| 356 | S | A | -0.8961 | |
| 357 | S | A | -0.1009 | |
| 358 | P | A | 0.1778 | |
| 359 | V | A | 0.9637 | |
| 360 | N | A | -0.5405 | |
| 361 | T | A | -0.5044 | |
| 362 | P | A | -0.6967 | |
| 363 | S | A | -0.7051 | |
| 364 | S | A | -0.9846 | |
| 365 | Q | A | -1.5157 | |
| 366 | P | A | -0.9785 | |
| 367 | P | A | -0.5943 | |
| 368 | A | A | -0.4283 | |
| 369 | A | A | -0.8486 | |
| 370 | K | A | -1.6223 | |
| 371 | S | A | -0.6496 | |
| 372 | C | A | 0.5680 | |
| 373 | A | A | 0.8907 | |
| 374 | W | A | 1.2172 | |
| 375 | P | A | 0.2731 | |
| 376 | T | A | -0.3074 | |
| 377 | S | A | -0.5479 | |
| 378 | N | A | -0.4765 | |
| 379 | F | A | 1.1101 | |
| 380 | S | A | 0.6310 | |
| 381 | P | A | 0.6997 | |
| 382 | L | A | 1.2035 | |
| 383 | P | A | 0.2697 | |
| 384 | P | A | -0.1788 | |
| 385 | S | A | -0.5610 | |
| 386 | P | A | -0.1451 | |
| 387 | P | A | 0.7894 | |
| 388 | I | A | 2.7943 | |
| 389 | M | A | 2.8854 | |
| 390 | I | A | 2.8202 | |
| 391 | S | A | 0.8111 | |
| 392 | S | A | -0.1134 | |
| 393 | P | A | -0.6349 | |
| 394 | P | A | -0.9964 | |
| 395 | G | A | -1.4723 | |
| 396 | K | A | -1.9599 | |
| 397 | A | A | -1.0174 | |
| 398 | T | A | -0.7311 | |
| 399 | G | A | -1.0222 | |
| 400 | P | A | -1.4484 | |
| 401 | R | A | -1.7740 | |
| 402 | P | A | -0.0609 | |
| 403 | V | A | 2.0870 | |
| 404 | L | A | 2.6545 | |
| 405 | P | A | 1.8741 | |
| 406 | V | A | 2.9456 | |
| 407 | C | A | 2.4562 | |
| 408 | V | A | 2.4146 | |
| 409 | S | A | 0.6152 | |
| 410 | S | A | 0.2697 | |
| 411 | P | A | 0.3782 | |
| 412 | V | A | 1.2226 | |
| 413 | P | A | 0.1600 | |
| 414 | Q | A | -0.4925 | |
| 415 | M | A | 0.2599 | |
| 416 | P | A | -0.2118 | |
| 417 | P | A | -0.3243 | |
| 418 | S | A | -0.5500 | |
| 419 | P | A | -0.4531 | |
| 420 | T | A | -0.2643 | |
| 421 | A | A | -0.4190 | |
| 422 | P | A | -0.9483 | |
| 423 | N | A | -1.6941 | |
| 424 | G | A | -1.0226 | |
| 425 | S | A | -0.2063 | |
| 426 | L | A | 0.4335 | |
| 427 | D | A | -0.8002 | |
| 428 | S | A | 0.0363 | |
| 429 | V | A | 1.4562 | |
| 430 | T | A | 1.3033 | |
| 431 | Y | A | 1.8455 | |
| 432 | P | A | 1.2226 | |
| 433 | V | A | 1.7402 | |
| 434 | S | A | 0.5829 | |
| 435 | P | A | -0.1379 | |
| 436 | P | A | -0.4111 | |
| 437 | P | A | -0.5486 | |
| 438 | T | A | -0.4466 | |
| 439 | S | A | -0.5704 | |
| 440 | G | A | -0.6836 | |
| 441 | P | A | -0.5084 | |
| 442 | A | A | -0.2768 | |
| 443 | A | A | -0.2411 | |
| 444 | P | A | -0.4579 | |
| 445 | P | A | -0.5704 | |
| 446 | P | A | -0.6444 | |
| 447 | P | A | -0.6850 | |
| 448 | P | A | -0.6827 | |
| 449 | P | A | -0.6841 | |
| 450 | P | A | -0.6850 | |
| 451 | P | A | -0.6847 | |
| 452 | P | A | -0.6860 | |
| 453 | P | A | -0.6872 | |
| 454 | P | A | -0.6876 | |
| 455 | P | A | -0.6896 | |
| 456 | P | A | -0.6898 | |
| 457 | P | A | -0.6894 | |
| 458 | P | A | -0.6926 | |
| 459 | P | A | -0.6928 | |
| 460 | P | A | -0.4453 | |
| 461 | P | A | -0.2434 | |
| 462 | P | A | 0.1763 | |
| 463 | L | A | 1.3458 | |
| 464 | P | A | 0.6591 | |
| 465 | P | A | 0.7144 | |
| 466 | L | A | 1.7226 | |
| 467 | A | A | 0.9660 | |
| 468 | S | A | 0.8001 | |
| 469 | L | A | 1.3575 | |
| 470 | S | A | 0.1378 | |
| 471 | H | A | -0.4809 | |
| 472 | C | A | -0.0297 | |
| 473 | G | A | -0.7564 | |
| 474 | S | A | -1.0017 | |
| 475 | Q | A | -1.3864 | |
| 476 | A | A | -0.7290 | |
| 477 | S | A | -0.7200 | |
| 478 | P | A | -0.6835 | |
| 479 | P | A | -0.6719 | |
| 480 | P | A | -0.7097 | |
| 481 | G | A | -0.7338 | |
| 482 | T | A | -0.1627 | |
| 483 | P | A | 0.3557 | |
| 484 | L | A | 1.3958 | |
| 485 | A | A | 0.6506 | |
| 486 | S | A | 0.0416 | |
| 487 | T | A | -0.3325 | |
| 488 | P | A | -0.4782 | |
| 489 | S | A | -0.7890 | |
| 490 | S | A | -1.2545 | |
| 491 | K | A | -2.0401 | |
| 492 | P | A | -1.0216 | |
| 493 | S | A | 0.4935 | |
| 494 | V | A | 2.2892 | |
| 495 | L | A | 2.1493 | |
| 496 | P | A | 0.8155 | |
| 497 | S | A | -0.1784 | |
| 498 | P | A | -0.5115 | |
| 499 | S | A | -0.3349 | |
| 500 | A | A | -0.0744 | |
| 501 | A | A | 0.0177 | |
| 502 | A | A | -0.0305 | |
| 503 | P | A | -0.2275 | |
| 504 | A | A | 0.2441 | |
| 505 | S | A | 0.3581 | |
| 506 | V | A | 0.7996 | |
| 507 | E | A | -1.1157 | |
| 508 | T | A | -0.4366 | |
| 509 | P | A | -0.1682 | |
| 510 | L | A | 0.7170 | |
| 511 | N | A | -1.0787 | |
| 512 | P | A | -1.2147 | |
| 513 | E | A | -1.5617 | |
| 514 | L | A | 0.0488 | |
| 515 | G | A | -0.9840 | |
| 516 | D | A | -1.8599 | |
| 517 | S | A | -1.2850 | |
| 518 | S | A | -0.7014 | |
| 519 | A | A | -0.5700 | |
| 520 | S | A | -1.2412 | |
| 521 | E | A | -1.9789 | |
| 522 | P | A | -1.1941 | |
| 523 | G | A | -0.6258 | |
| 524 | L | A | 0.4591 | |
| 525 | Q | A | -0.5015 | |
| 526 | A | A | -0.2540 | |
| 527 | A | A | -0.4916 | |
| 528 | S | A | -0.8259 | |
| 529 | Q | A | -1.4229 | |
| 530 | P | A | -1.2692 | |
| 531 | A | A | -1.2037 | |
| 532 | E | A | -1.9223 | |
| 533 | T | A | -1.0554 | |
| 534 | P | A | -0.6757 | |
| 535 | A | A | -0.4466 | |
| 536 | P | A | -0.9242 | |
| 537 | Q | A | -1.7564 | |
| 538 | G | A | -1.3066 | |
| 539 | H | A | -0.3146 | |
| 540 | V | A | 1.8593 | |
| 541 | L | A | 1.9451 | |
| 542 | G | A | 0.4197 | |
| 543 | P | A | -0.3006 | |
| 544 | P | A | -0.4820 | |
| 545 | A | A | -0.2809 | |
| 546 | P | A | -0.4467 | |
| 547 | P | A | -0.5320 | |
| 548 | P | A | -0.5920 | |
| 549 | P | A | -0.5944 | |
| 550 | P | A | -0.2633 | |
| 551 | P | A | 0.2537 | |
| 552 | L | A | 1.2133 | |
| 553 | P | A | 0.2467 | |
| 554 | S | A | -0.2773 | |
| 555 | G | A | -0.7508 | |
| 556 | P | A | -0.2858 | |
| 557 | A | A | 0.4735 | |
| 558 | Y | A | 1.2798 | |
| 559 | A | A | 0.6170 | |
| 560 | S | A | 0.4263 | |
| 561 | A | A | 0.6301 | |
| 562 | L | A | 1.3215 | |
| 563 | P | A | 0.2885 | |
| 564 | P | A | -0.2727 | |
| 565 | P | A | -0.5204 | |
| 566 | P | A | -0.7835 | |
| 567 | G | A | -0.9027 | |
| 568 | P | A | -0.7749 | |
| 569 | P | A | -0.7278 | |
| 570 | P | A | -0.7047 | |
| 571 | P | A | -0.4567 | |
| 572 | P | A | -0.2618 | |
| 573 | P | A | 0.1944 | |
| 574 | L | A | 1.1677 | |
| 575 | P | A | 0.2426 | |
| 576 | S | A | -0.0773 | |
| 577 | A | A | -0.2311 | |
| 578 | G | A | -0.7405 | |
| 579 | P | A | -0.6762 | |
| 580 | P | A | -0.6941 | |
| 581 | P | A | -0.7113 | |
| 582 | P | A | -0.6781 | |
| 583 | P | A | -0.6828 | |
| 584 | P | A | -0.6855 | |
| 585 | P | A | -0.6807 | |
| 586 | P | A | -0.4575 | |
| 587 | P | A | -0.2542 | |
| 588 | P | A | -0.0997 | |
| 589 | L | A | 0.6810 | |
| 590 | P | A | -0.3001 | |
| 591 | N | A | -1.2506 | |
| 592 | Q | A | -0.8786 | |
| 593 | V | A | 0.6814 | |
| 594 | P | A | -0.0475 | |
| 595 | P | A | -0.3118 | |
| 596 | P | A | -0.4444 | |
| 597 | P | A | -0.6872 | |
| 598 | P | A | -0.6854 | |
| 599 | P | A | -0.6440 | |
| 600 | P | A | -0.6061 | |
| 601 | P | A | -0.5311 | |
| 602 | A | A | -0.1515 | |
| 603 | P | A | -0.0785 | |
| 604 | P | A | 0.3013 | |
| 605 | L | A | 1.2623 | |
| 606 | P | A | 0.3635 | |
| 607 | A | A | 0.2721 | |
| 608 | S | A | -0.0193 | |
| 609 | G | A | 1.0674 | |
| 610 | I | A | 2.5904 | |
| 611 | F | A | 2.5824 | |
| 612 | S | A | 0.7763 | |
| 613 | G | A | 0.0155 | |
| 614 | S | A | -0.1552 | |
| 615 | M | A | 0.3078 | |
| 616 | S | A | -1.1528 | |
| 617 | E | A | -2.8075 | |
| 618 | D | A | -3.7673 | |
| 619 | N | A | -3.2877 | |
| 620 | R | A | -2.6532 | |
| 621 | P | A | -1.0477 | |
| 622 | L | A | 0.8395 | |
| 623 | T | A | 0.5418 | |
| 624 | G | A | 0.6523 | |
| 625 | L | A | 1.8326 | |
| 626 | A | A | 1.1913 | |
| 627 | A | A | 1.0059 | |
| 628 | A | A | 1.3656 | |
| 629 | I | A | 2.1967 | |
| 630 | A | A | 0.6292 | |
| 631 | G | A | -0.1216 | |
| 632 | A | A | -0.2513 | |
| 633 | K | A | -1.4276 | |
| 634 | L | A | -0.5135 | |
| 635 | R | A | -1.9162 | |
| 636 | K | A | -1.4496 | |
| 637 | V | A | 0.0463 | |
| 638 | S | A | -0.4007 | |
| 639 | R | A | -1.1254 | |
| 640 | V | A | -0.4368 | |
| 641 | E | A | -2.4278 | |
| 642 | D | A | -2.5870 | |
| 643 | G | A | -1.4339 | |
| 644 | S | A | -0.1488 | |
| 645 | F | A | 1.5519 | |
| 646 | P | A | 0.6185 | |
| 647 | S | A | -0.2300 | |
| 648 | G | A | -1.0969 | |
| 649 | G | A | -1.4385 | |
| 650 | N | A | -1.2791 | |
| 651 | T | A | -0.0913 | |
| 652 | V | A | 1.7129 | |
| 653 | S | A | 1.3302 | |
| 654 | V | A | 1.7608 | |
| 655 | N | A | 0.3764 | |
| 656 | L | A | 1.1933 | |
| 657 | A | A | 0.2412 | |
| 658 | S | A | -0.4220 | |
| 659 | S | A | -1.2869 | |
| 660 | K | A | -2.3019 | |
| 661 | T | A | -2.1110 | |
| 662 | D | A | -2.4618 | |
| 663 | S | A | -1.9028 | |
| 664 | G | A | -2.0252 | |
| 665 | R | A | -2.6649 | |
| 666 | G | A | -2.3776 | |
| 667 | N | A | -2.1803 | |
| 668 | G | A | -0.9928 | |
| 669 | P | A | 0.1318 | |
| 670 | L | A | 1.5669 | |
| 671 | P | A | 1.0757 | |
| 672 | L | A | 1.4662 | |
| 673 | G | A | 0.0996 | |
| 674 | G | A | -0.5616 | |
| 675 | S | A | -0.6474 | |
| 676 | G | A | -0.3883 | |
| 677 | L | A | 0.6924 | |
| 678 | M | A | 0.3554 | |
| 679 | E | A | -1.6475 | |
| 680 | E | A | -1.4886 | |
| 681 | M | A | -0.1834 | |
| 682 | S | A | -0.7159 | |
| 683 | A | A | -1.1129 | |
| 684 | L | A | -1.1060 | |
| 685 | L | A | -1.3390 | |
| 686 | A | A | -1.9234 | |
| 687 | R | A | -2.9130 | |
| 688 | R | A | -3.3206 | |
| 689 | R | A | -3.9047 | |
| 690 | R | A | -3.8024 | |
| 691 | I | A | -1.6790 | |
| 692 | A | A | -2.3797 | |
| 693 | E | A | -3.4008 | |
| 694 | K | A | -2.8548 | |
| 695 | G | A | -1.4844 | |
| 696 | S | A | -1.0143 | |
| 697 | T | A | -0.0148 | |
| 698 | I | A | 0.9838 | |
| 699 | E | A | -1.3163 | |
| 700 | T | A | -1.6543 | |
| 701 | E | A | -3.2689 | |
| 702 | Q | A | -3.6210 | |
| 703 | K | A | -3.9894 | |
| 704 | E | A | -4.2917 | |
| 705 | D | A | -4.2831 | |
| 706 | R | A | -3.5408 | |
| 707 | S | A | -2.7078 | |
| 708 | E | A | -3.2728 | |
| 709 | D | A | -3.1865 | |
| 710 | A | A | -2.1418 | |
| 711 | E | A | -1.9467 | |
| 712 | P | A | -0.2800 | |
| 713 | V | A | 1.2343 | |
| 714 | T | A | 0.2299 | |
| 715 | S | A | -0.6896 | |
| 716 | K | A | -1.7731 | |
| 717 | A | A | -0.9510 | |
| 718 | A | A | -0.3958 | |
| 719 | S | A | -0.2503 | |
| 720 | T | A | -0.2874 | |
| 721 | S | A | -0.3774 | |
| 722 | T | A | -0.7938 | |
| 723 | P | A | -1.2733 | |
| 724 | E | A | -2.1137 | |
| 725 | P | A | -1.6938 | |
| 726 | T | A | -1.8414 | |
| 727 | R | A | -2.8132 | |
| 728 | K | A | -2.6537 | |
| 729 | P | A | -1.3764 | |
| 730 | W | A | -0.6491 | |
| 731 | E | A | -2.3093 | |
| 732 | R | A | -2.7691 | |
| 733 | T | A | -1.9561 | |
| 734 | N | A | -1.6231 | |
| 735 | T | A | -0.5329 | |
| 736 | M | A | -0.0307 | |
| 737 | N | A | -1.3144 | |
| 738 | G | A | -1.4722 | |
| 739 | S | A | -1.7616 | |
| 740 | K | A | -2.2394 | |
| 741 | S | A | -0.5953 | |
| 742 | P | A | 0.6960 | |
| 743 | V | A | 2.4915 | |
| 744 | I | A | 2.2039 | |
| 745 | S | A | 0.3018 | |
| 746 | R | A | -2.0179 | |
| 747 | P | A | -1.9603 | |
| 748 | K | A | -2.4303 | |
| 749 | S | A | -1.5162 | |
| 750 | T | A | -0.7902 | |
| 751 | P | A | -0.6792 | |
| 752 | S | A | -0.7140 | |
| 753 | S | A | -1.0086 | |
| 754 | Q | A | -1.5385 | |
| 755 | P | A | -1.0891 | |
| 756 | S | A | -0.8540 | |
| 757 | A | A | -0.8274 | |
| 758 | N | A | -1.2917 | |
| 759 | G | A | -0.4867 | |
| 760 | V | A | 0.3429 | |
| 761 | Q | A | -0.9490 | |
| 762 | T | A | -0.9806 | |
| 763 | E | A | -2.3176 | |
| 764 | G | A | -1.4867 | |
| 765 | L | A | -0.9270 | |
| 766 | D | A | -2.3879 | |
| 767 | Y | A | -1.4138 | |
| 768 | D | A | -3.0113 | |
| 769 | R | A | -3.3088 | |
| 770 | L | A | -1.4180 | |
| 771 | K | A | -2.8140 | |
| 772 | Q | A | -3.4791 | |
| 773 | D | A | -3.2841 | |
| 774 | I | A | -1.8270 | |
| 775 | L | A | -1.9916 | |
| 776 | D | A | -3.3685 | |
| 777 | E | A | -3.6979 | |
| 778 | M | A | -2.1487 | |
| 779 | R | A | -3.1967 | |
| 780 | K | A | -3.6981 | |
| 781 | E | A | -3.0587 | |
| 782 | L | A | -1.4075 | |
| 783 | A | A | -2.2975 | |
| 784 | K | A | -2.8401 | |
| 785 | L | A | -1.3858 | |
| 786 | K | A | -2.3419 | |
| 787 | E | A | -2.9425 | |
| 788 | E | A | -2.5023 | |
| 789 | L | A | -0.6415 | |
| 790 | I | A | -1.2440 | |
| 791 | D | A | -2.3050 | |
| 792 | A | A | -1.4830 | |
| 793 | I | A | -0.8117 | |
| 794 | R | A | -2.4697 | |
| 795 | Q | A | -2.8693 | |
| 796 | E | A | -2.8261 | |
| 797 | L | A | -1.2166 | |
| 798 | S | A | -2.1585 | |
| 799 | K | A | -2.9234 | |
| 800 | S | A | -2.0048 | |
| 801 | N | A | -1.9583 | |
| 802 | T | A | -1.1031 | |
| 803 | A | A | -0.7965 |
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 | -0.3876 | 6.4452 | View | CSV | PDB |
| 4.5 | -0.4792 | 6.4452 | View | CSV | PDB |
| 5.0 | -0.6008 | 6.4452 | View | CSV | PDB |
| 5.5 | -0.7318 | 6.4452 | View | CSV | PDB |
| 6.0 | -0.8492 | 6.4452 | View | CSV | PDB |
| 6.5 | -0.9342 | 6.4452 | View | CSV | PDB |
| 7.0 | -0.9785 | 6.4452 | View | CSV | PDB |
| 7.5 | -0.9902 | 6.4452 | View | CSV | PDB |
| 8.0 | -0.9831 | 6.4452 | View | CSV | PDB |
| 8.5 | -0.9652 | 6.4452 | View | CSV | PDB |
| 9.0 | -0.9383 | 6.4452 | 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