| Chain sequence(s) | MGNRGMEELIPLVNKLQDAFSSIGQSCHLDLPQIAVVGGQSAGKSSVLENFVGRDFLPRGSGIVTRRPLILQLIFSKTEYAEFLHCKSKKFTDFDEVRQEIEAETDRVTGTNKGISPVPINLRVYSPHVLNLTLIDLPGITKVPVGDQPPDIEYQIKDMILQFISRESSLILAVTPANMDLANSDALKLAKEVDPQGLRTIGVITKLDLMDEGTDARDVLENKLLPLRRGYIGVVNRSQKDIEGRKDIRAALAAERKFFLSHPAYRHMADRMGTPHLQKTLNQQLTNHIRESLPTLRSKLQSQLLSLEKEVEEYKNFRPDDPTRKTKALLQMVQQFGVDFEKRIEGSGDQVDTLELSGGARINRIFHERFPFELVKMEFDEKDLRREISYAIKNIHGVRTGLFTPDLAFEAIVKKQVVKLKEPCLKCVDLVIQELISTVRQCTSKLSSYPRLREETERIVTTYIREREGRTKDQILLLIDIEQSYINTNHEDFIGFANAQQRSTQLNKKRAIPNQGEILVIRRGWLTINNISLMKGGSKEYWFVLTAESLSWYKDEEEKEKKYMLPLDNLKIRDVEKGFMSNKHVFAIFNTEQRNVYKDLRQIELACDSQEDVDSWKASFLRAGVYPEKDQAENEDGAQENTFSMDPQLERQVETIRNLVDSYVAIINKSIRDLMPKTIMHLMINNTKAFIHHELLAYLYSSADQSSLMEESAEQAQRRDDMLRMYHALKEALNIIGDISTSTVSTPVPPPVDDTWLQNTSSHSPTPQRRPVSSVHPPGRPPAVRGPTPGPPLIPMPVGATSSFSAPPIPSRPGPQNVFANNDPFSAPPQIPSRPARIPPGIPPGVPSRRAPAAPSRPTIIRPAEPSLLD 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 (00:00:15)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:53:25)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e9e821f4f80ad5/tmp/folded.pdb (00:53:25)
[INFO] Main: Simulation completed successfully. (01:07:08)
|
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 | 0.2764 | |
| 2 | G | A | -0.6295 | |
| 3 | N | A | -2.3808 | |
| 4 | R | A | -3.2003 | |
| 5 | G | A | -2.2964 | |
| 6 | M | A | 0.0000 | |
| 7 | E | A | -3.4524 | |
| 8 | E | A | -3.2513 | |
| 9 | L | A | 0.0000 | |
| 10 | I | A | 0.0000 | |
| 11 | P | A | -1.1091 | |
| 12 | L | A | -1.3367 | |
| 13 | V | A | 0.0000 | |
| 14 | N | A | 0.0000 | |
| 15 | K | A | -2.1425 | |
| 16 | L | A | 0.0000 | |
| 17 | Q | A | -1.1271 | |
| 18 | D | A | -1.4366 | |
| 19 | A | A | 0.0000 | |
| 20 | F | A | 0.0000 | |
| 21 | S | A | -1.1113 | |
| 22 | S | A | -0.9210 | |
| 23 | I | A | 0.0000 | |
| 24 | G | A | -1.2910 | |
| 25 | Q | A | -1.7653 | |
| 26 | S | A | -1.1596 | |
| 27 | C | A | -0.9239 | |
| 28 | H | A | -1.2455 | |
| 29 | L | A | 0.0000 | |
| 30 | D | A | -1.1382 | |
| 31 | L | A | 0.0000 | |
| 32 | P | A | 0.0000 | |
| 33 | Q | A | -0.2388 | |
| 34 | I | A | 0.0000 | |
| 35 | A | A | 0.0000 | |
| 36 | V | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | G | A | 0.0000 | |
| 39 | G | A | -0.7962 | |
| 40 | Q | A | -1.0656 | |
| 41 | S | A | -0.6332 | |
| 42 | A | A | 0.0000 | |
| 43 | G | A | -0.3610 | |
| 44 | K | A | 0.0000 | |
| 45 | S | A | -0.1840 | |
| 46 | S | A | -0.2920 | |
| 47 | V | A | 0.0000 | |
| 48 | L | A | 0.0000 | |
| 49 | E | A | 0.0000 | |
| 50 | N | A | 0.0000 | |
| 51 | F | A | 0.0000 | |
| 52 | V | A | 0.0000 | |
| 53 | G | A | -1.1497 | |
| 54 | R | A | -1.4484 | |
| 55 | D | A | -1.3259 | |
| 56 | F | A | 0.0000 | |
| 57 | L | A | 0.0000 | |
| 58 | P | A | -1.0235 | |
| 59 | R | A | -1.0324 | |
| 60 | G | A | -0.8247 | |
| 61 | S | A | -0.6163 | |
| 62 | G | A | -0.3982 | |
| 63 | I | A | 0.0000 | |
| 64 | V | A | -0.2576 | |
| 65 | T | A | -0.2387 | |
| 66 | R | A | -0.0369 | |
| 67 | R | A | 0.0000 | |
| 68 | P | A | 0.0000 | |
| 69 | L | A | 0.0000 | |
| 70 | I | A | 0.0233 | |
| 71 | L | A | 0.0000 | |
| 72 | Q | A | 0.0000 | |
| 73 | L | A | 0.0000 | |
| 74 | I | A | 1.1767 | |
| 75 | F | A | 1.4604 | |
| 76 | S | A | 0.0210 | |
| 77 | K | A | -1.5360 | |
| 78 | T | A | -0.8298 | |
| 79 | E | A | -0.9958 | |
| 80 | Y | A | -1.2311 | |
| 81 | A | A | 0.0000 | |
| 82 | E | A | -1.5801 | |
| 83 | F | A | 0.0000 | |
| 84 | L | A | -0.7362 | |
| 85 | H | A | -0.9044 | |
| 86 | C | A | -1.5257 | |
| 87 | K | A | -2.3871 | |
| 88 | S | A | -2.0495 | |
| 89 | K | A | -2.6068 | |
| 90 | K | A | -2.9174 | |
| 91 | F | A | 0.0000 | |
| 92 | T | A | -1.8804 | |
| 93 | D | A | -2.8401 | |
| 94 | F | A | 0.0000 | |
| 95 | D | A | -2.6462 | |
| 96 | E | A | -2.9203 | |
| 97 | V | A | 0.0000 | |
| 98 | R | A | -2.3175 | |
| 99 | Q | A | -2.4145 | |
| 100 | E | A | -1.7088 | |
| 101 | I | A | 0.0000 | |
| 102 | E | A | -1.8491 | |
| 103 | A | A | -1.3421 | |
| 104 | E | A | 0.0000 | |
| 105 | T | A | 0.0000 | |
| 106 | D | A | -1.6283 | |
| 107 | R | A | -1.7154 | |
| 108 | V | A | 0.2344 | |
| 109 | T | A | -0.4655 | |
| 110 | G | A | -1.1493 | |
| 111 | T | A | -1.5690 | |
| 112 | N | A | -2.3633 | |
| 113 | K | A | -1.8002 | |
| 114 | G | A | -1.0316 | |
| 115 | I | A | 0.0170 | |
| 116 | S | A | 0.6673 | |
| 117 | P | A | 0.4031 | |
| 118 | V | A | 1.7857 | |
| 119 | P | A | 0.6797 | |
| 120 | I | A | 0.0000 | |
| 121 | N | A | -0.0875 | |
| 122 | L | A | 0.0000 | |
| 123 | R | A | -0.3988 | |
| 124 | V | A | 0.0000 | |
| 125 | Y | A | 0.2522 | |
| 126 | S | A | 0.0000 | |
| 127 | P | A | -0.3578 | |
| 128 | H | A | -0.4381 | |
| 129 | V | A | 0.0000 | |
| 130 | L | A | 0.3135 | |
| 131 | N | A | 0.0981 | |
| 132 | L | A | 0.0000 | |
| 133 | T | A | 0.0000 | |
| 134 | L | A | 0.0000 | |
| 135 | I | A | 0.0000 | |
| 136 | D | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | P | A | 0.0000 | |
| 139 | G | A | -0.8016 | |
| 140 | I | A | 0.0000 | |
| 141 | T | A | 0.0000 | |
| 142 | K | A | -1.1673 | |
| 143 | V | A | 0.7240 | |
| 144 | P | A | -0.0091 | |
| 145 | V | A | 0.4024 | |
| 146 | G | A | -1.0083 | |
| 147 | D | A | -2.4130 | |
| 148 | Q | A | 0.0000 | |
| 149 | P | A | -1.0549 | |
| 150 | P | A | -0.5777 | |
| 151 | D | A | -0.9824 | |
| 152 | I | A | 0.0000 | |
| 153 | E | A | -1.4416 | |
| 154 | Y | A | -0.4106 | |
| 155 | Q | A | -0.7657 | |
| 156 | I | A | 0.0000 | |
| 157 | K | A | -1.0868 | |
| 158 | D | A | -1.2643 | |
| 159 | M | A | 0.0000 | |
| 160 | I | A | 0.0000 | |
| 161 | L | A | -0.8937 | |
| 162 | Q | A | -1.1880 | |
| 163 | F | A | 0.0000 | |
| 164 | I | A | 0.0000 | |
| 165 | S | A | -1.3105 | |
| 166 | R | A | -1.7232 | |
| 167 | E | A | -2.1130 | |
| 168 | S | A | 0.0000 | |
| 169 | S | A | 0.0000 | |
| 170 | L | A | 0.0000 | |
| 171 | I | A | 0.0000 | |
| 172 | L | A | 0.0000 | |
| 173 | A | A | 0.0000 | |
| 174 | V | A | 0.0000 | |
| 175 | T | A | 0.0000 | |
| 176 | P | A | -0.4126 | |
| 177 | A | A | -1.0381 | |
| 178 | N | A | -1.4588 | |
| 179 | M | A | -1.1979 | |
| 180 | D | A | -2.1901 | |
| 181 | L | A | 0.0000 | |
| 182 | A | A | -1.2345 | |
| 183 | N | A | -2.0848 | |
| 184 | S | A | 0.0000 | |
| 185 | D | A | -1.6977 | |
| 186 | A | A | 0.0000 | |
| 187 | L | A | 0.0000 | |
| 188 | K | A | -2.7801 | |
| 189 | L | A | 0.0000 | |
| 190 | A | A | 0.0000 | |
| 191 | K | A | -2.5785 | |
| 192 | E | A | -2.7435 | |
| 193 | V | A | -1.6580 | |
| 194 | D | A | 0.0000 | |
| 195 | P | A | -1.7212 | |
| 196 | Q | A | -1.9311 | |
| 197 | G | A | 0.0000 | |
| 198 | L | A | -0.0919 | |
| 199 | R | A | 0.0000 | |
| 200 | T | A | 0.0000 | |
| 201 | I | A | 0.0000 | |
| 202 | G | A | 0.0000 | |
| 203 | V | A | 0.0000 | |
| 204 | I | A | 0.0000 | |
| 205 | T | A | 0.0000 | |
| 206 | K | A | -0.6061 | |
| 207 | L | A | 0.0000 | |
| 208 | D | A | -1.7829 | |
| 209 | L | A | -0.4347 | |
| 210 | M | A | -1.5519 | |
| 211 | D | A | -2.9110 | |
| 212 | E | A | -2.9680 | |
| 213 | G | A | -1.9384 | |
| 214 | T | A | -1.8520 | |
| 215 | D | A | -2.0850 | |
| 216 | A | A | 0.0000 | |
| 217 | R | A | -2.0545 | |
| 218 | D | A | -2.3188 | |
| 219 | V | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | E | A | -1.8343 | |
| 222 | N | A | -1.5364 | |
| 223 | K | A | -1.9951 | |
| 224 | L | A | -0.5056 | |
| 225 | L | A | -0.0124 | |
| 226 | P | A | -1.1737 | |
| 227 | L | A | 0.0000 | |
| 228 | R | A | -0.5923 | |
| 229 | R | A | -0.2671 | |
| 230 | G | A | -0.4980 | |
| 231 | Y | A | 0.0000 | |
| 232 | I | A | 0.0000 | |
| 233 | G | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | V | A | -0.3730 | |
| 236 | N | A | -0.5545 | |
| 237 | R | A | 0.0000 | |
| 238 | S | A | -1.7310 | |
| 239 | Q | A | -2.7762 | |
| 240 | K | A | -3.4213 | |
| 241 | D | A | -2.9858 | |
| 242 | I | A | -2.9238 | |
| 243 | E | A | -3.5685 | |
| 244 | G | A | -3.2548 | |
| 245 | R | A | -3.7263 | |
| 246 | K | A | -3.2243 | |
| 247 | D | A | -3.2095 | |
| 248 | I | A | 0.0000 | |
| 249 | R | A | -2.3321 | |
| 250 | A | A | -1.5742 | |
| 251 | A | A | 0.0000 | |
| 252 | L | A | -1.1007 | |
| 253 | A | A | -1.1243 | |
| 254 | A | A | -0.9998 | |
| 255 | E | A | 0.0000 | |
| 256 | R | A | -1.9760 | |
| 257 | K | A | -2.2165 | |
| 258 | F | A | -1.4480 | |
| 259 | F | A | 0.0000 | |
| 260 | L | A | -1.6128 | |
| 261 | S | A | -1.1773 | |
| 262 | H | A | -1.3987 | |
| 263 | P | A | -1.0806 | |
| 264 | A | A | 0.0000 | |
| 265 | Y | A | 0.0000 | |
| 266 | R | A | -2.7231 | |
| 267 | H | A | -2.3334 | |
| 268 | M | A | 0.0000 | |
| 269 | A | A | 0.0000 | |
| 270 | D | A | -3.0443 | |
| 271 | R | A | -2.4597 | |
| 272 | M | A | 0.0000 | |
| 273 | G | A | 0.0000 | |
| 274 | T | A | 0.0000 | |
| 275 | P | A | -1.1993 | |
| 276 | H | A | -1.6672 | |
| 277 | L | A | 0.0000 | |
| 278 | Q | A | -1.1125 | |
| 279 | K | A | -1.9796 | |
| 280 | T | A | -1.3663 | |
| 281 | L | A | 0.0000 | |
| 282 | N | A | -1.2454 | |
| 283 | Q | A | -1.2910 | |
| 284 | Q | A | -0.6177 | |
| 285 | L | A | 0.0000 | |
| 286 | T | A | 0.0000 | |
| 287 | N | A | 0.0000 | |
| 288 | H | A | -1.2493 | |
| 289 | I | A | 0.0000 | |
| 290 | R | A | -1.8148 | |
| 291 | E | A | -2.4283 | |
| 292 | S | A | -1.6842 | |
| 293 | L | A | -1.3294 | |
| 294 | P | A | -1.3499 | |
| 295 | T | A | -1.3026 | |
| 296 | L | A | 0.0000 | |
| 297 | R | A | -1.6993 | |
| 298 | S | A | -1.5761 | |
| 299 | K | A | -1.8913 | |
| 300 | L | A | 0.0000 | |
| 301 | Q | A | -1.2967 | |
| 302 | S | A | -0.9415 | |
| 303 | Q | A | -0.9398 | |
| 304 | L | A | 0.0000 | |
| 305 | L | A | 0.0972 | |
| 306 | S | A | -0.7584 | |
| 307 | L | A | -1.2410 | |
| 308 | E | A | -2.3348 | |
| 309 | K | A | -3.4172 | |
| 310 | E | A | -3.8403 | |
| 311 | V | A | 0.0000 | |
| 312 | E | A | -4.6208 | |
| 313 | E | A | -4.2334 | |
| 314 | Y | A | -3.3587 | |
| 315 | K | A | -3.6894 | |
| 316 | N | A | -3.1991 | |
| 317 | F | A | -2.5262 | |
| 318 | R | A | -3.1256 | |
| 319 | P | A | -2.4699 | |
| 320 | D | A | -2.8137 | |
| 321 | D | A | -2.3215 | |
| 322 | P | A | -1.8648 | |
| 323 | T | A | -1.6455 | |
| 324 | R | A | -2.4402 | |
| 325 | K | A | -2.0742 | |
| 326 | T | A | -1.2703 | |
| 327 | K | A | -2.1133 | |
| 328 | A | A | -1.2932 | |
| 329 | L | A | 0.0000 | |
| 330 | L | A | -0.6252 | |
| 331 | Q | A | -1.6778 | |
| 332 | M | A | -1.1112 | |
| 333 | V | A | 0.0000 | |
| 334 | Q | A | -1.5297 | |
| 335 | Q | A | -1.4723 | |
| 336 | F | A | 0.0000 | |
| 337 | G | A | 0.0000 | |
| 338 | V | A | -0.5774 | |
| 339 | D | A | -1.0715 | |
| 340 | F | A | 0.0000 | |
| 341 | E | A | -1.6689 | |
| 342 | K | A | -1.9792 | |
| 343 | R | A | -1.5367 | |
| 344 | I | A | 0.0000 | |
| 345 | E | A | -2.5590 | |
| 346 | G | A | -1.9342 | |
| 347 | S | A | -1.6989 | |
| 348 | G | A | -2.0696 | |
| 349 | D | A | -2.2159 | |
| 350 | Q | A | -1.8400 | |
| 351 | V | A | -0.3350 | |
| 352 | D | A | -1.1502 | |
| 353 | T | A | -0.2135 | |
| 354 | L | A | 0.4911 | |
| 355 | E | A | -1.0897 | |
| 356 | L | A | -0.2976 | |
| 357 | S | A | -0.6006 | |
| 358 | G | A | 0.0000 | |
| 359 | G | A | 0.0000 | |
| 360 | A | A | -1.5248 | |
| 361 | R | A | -1.6972 | |
| 362 | I | A | 0.0000 | |
| 363 | N | A | -2.4050 | |
| 364 | R | A | -2.3746 | |
| 365 | I | A | 0.0000 | |
| 366 | F | A | 0.0000 | |
| 367 | H | A | -2.3660 | |
| 368 | E | A | -1.9787 | |
| 369 | R | A | -1.5529 | |
| 370 | F | A | 0.0000 | |
| 371 | P | A | -1.3304 | |
| 372 | F | A | 0.0000 | |
| 373 | E | A | -1.2952 | |
| 374 | L | A | 0.0000 | |
| 375 | V | A | -0.8753 | |
| 376 | K | A | -1.7317 | |
| 377 | M | A | -1.4550 | |
| 378 | E | A | -1.8421 | |
| 379 | F | A | -1.9301 | |
| 380 | D | A | -3.1878 | |
| 381 | E | A | -3.2179 | |
| 382 | K | A | -3.5384 | |
| 383 | D | A | -3.1768 | |
| 384 | L | A | 0.0000 | |
| 385 | R | A | -2.7735 | |
| 386 | R | A | -2.5064 | |
| 387 | E | A | -2.2329 | |
| 388 | I | A | 0.0000 | |
| 389 | S | A | -1.1566 | |
| 390 | Y | A | -0.6624 | |
| 391 | A | A | -0.8586 | |
| 392 | I | A | 0.0000 | |
| 393 | K | A | -2.1517 | |
| 394 | N | A | -1.8120 | |
| 395 | I | A | -0.6716 | |
| 396 | H | A | -0.9712 | |
| 397 | G | A | -1.1316 | |
| 398 | V | A | 0.2123 | |
| 399 | R | A | -1.4233 | |
| 400 | T | A | -0.4539 | |
| 401 | G | A | 0.4540 | |
| 402 | L | A | 2.0747 | |
| 403 | F | A | 2.5440 | |
| 404 | T | A | 0.0000 | |
| 405 | P | A | 0.4454 | |
| 406 | D | A | -0.1995 | |
| 407 | L | A | 0.8227 | |
| 408 | A | A | 0.0000 | |
| 409 | F | A | 0.0000 | |
| 410 | E | A | -0.9409 | |
| 411 | A | A | -0.9602 | |
| 412 | I | A | 0.0000 | |
| 413 | V | A | 0.0000 | |
| 414 | K | A | -1.8034 | |
| 415 | K | A | -2.1636 | |
| 416 | Q | A | 0.0000 | |
| 417 | V | A | 0.0000 | |
| 418 | V | A | -1.1504 | |
| 419 | K | A | -1.8530 | |
| 420 | L | A | 0.0000 | |
| 421 | K | A | -1.4570 | |
| 422 | E | A | -2.2485 | |
| 423 | P | A | 0.0000 | |
| 424 | C | A | 0.0000 | |
| 425 | L | A | -1.2393 | |
| 426 | K | A | -1.6539 | |
| 427 | C | A | 0.0000 | |
| 428 | V | A | 0.0000 | |
| 429 | D | A | -1.8288 | |
| 430 | L | A | -1.0187 | |
| 431 | V | A | 0.0000 | |
| 432 | I | A | 0.0000 | |
| 433 | Q | A | -1.3522 | |
| 434 | E | A | 0.0000 | |
| 435 | L | A | 0.0000 | |
| 436 | I | A | -1.0139 | |
| 437 | S | A | -0.9962 | |
| 438 | T | A | 0.0000 | |
| 439 | V | A | 0.0000 | |
| 440 | R | A | -2.7568 | |
| 441 | Q | A | -1.8338 | |
| 442 | C | A | 0.0000 | |
| 443 | T | A | 0.0000 | |
| 444 | S | A | -2.1254 | |
| 445 | K | A | -2.3136 | |
| 446 | L | A | 0.0000 | |
| 447 | S | A | -1.3108 | |
| 448 | S | A | -1.2114 | |
| 449 | Y | A | -1.3209 | |
| 450 | P | A | -1.5591 | |
| 451 | R | A | -2.2630 | |
| 452 | L | A | 0.0000 | |
| 453 | R | A | -2.8760 | |
| 454 | E | A | -3.5036 | |
| 455 | E | A | -2.3016 | |
| 456 | T | A | 0.0000 | |
| 457 | E | A | -2.9500 | |
| 458 | R | A | -2.5084 | |
| 459 | I | A | 0.0000 | |
| 460 | V | A | 0.0000 | |
| 461 | T | A | -1.6068 | |
| 462 | T | A | -1.5673 | |
| 463 | Y | A | -1.3484 | |
| 464 | I | A | 0.0000 | |
| 465 | R | A | -2.9522 | |
| 466 | E | A | -3.1541 | |
| 467 | R | A | 0.0000 | |
| 468 | E | A | -2.5785 | |
| 469 | G | A | -2.7857 | |
| 470 | R | A | -3.2589 | |
| 471 | T | A | 0.0000 | |
| 472 | K | A | -1.9311 | |
| 473 | D | A | -2.2194 | |
| 474 | Q | A | -1.2004 | |
| 475 | I | A | 0.0000 | |
| 476 | L | A | -0.0807 | |
| 477 | L | A | 0.8469 | |
| 478 | L | A | 0.6687 | |
| 479 | I | A | 0.0000 | |
| 480 | D | A | -0.2777 | |
| 481 | I | A | 1.4670 | |
| 482 | E | A | 0.3959 | |
| 483 | Q | A | -0.2561 | |
| 484 | S | A | 0.2914 | |
| 485 | Y | A | 0.9223 | |
| 486 | I | A | -0.0178 | |
| 487 | N | A | -1.2017 | |
| 488 | T | A | -1.2694 | |
| 489 | N | A | -2.3563 | |
| 490 | H | A | -2.5049 | |
| 491 | E | A | -3.1795 | |
| 492 | D | A | -2.8336 | |
| 493 | F | A | 0.0000 | |
| 494 | I | A | -1.0000 | |
| 495 | G | A | -0.6792 | |
| 496 | F | A | -0.0102 | |
| 497 | A | A | -0.8576 | |
| 498 | N | A | -1.9911 | |
| 499 | A | A | 0.0000 | |
| 500 | Q | A | -2.5902 | |
| 501 | Q | A | -2.8242 | |
| 502 | R | A | -3.1068 | |
| 503 | S | A | -2.1869 | |
| 504 | T | A | -1.9010 | |
| 505 | Q | A | -2.7936 | |
| 506 | L | A | -0.9329 | |
| 507 | N | A | -2.2532 | |
| 508 | K | A | -3.4284 | |
| 509 | K | A | -3.4160 | |
| 510 | R | A | -2.6928 | |
| 511 | A | A | -0.7151 | |
| 512 | I | A | 0.8507 | |
| 513 | P | A | -0.4310 | |
| 514 | N | A | -1.8562 | |
| 515 | Q | A | -2.0102 | |
| 516 | G | A | -1.5132 | |
| 517 | E | A | -0.9785 | |
| 518 | I | A | 1.4527 | |
| 519 | L | A | 1.9985 | |
| 520 | V | A | 1.1524 | |
| 521 | I | A | 0.2647 | |
| 522 | R | A | -0.6808 | |
| 523 | R | A | -1.4377 | |
| 524 | G | A | -0.7733 | |
| 525 | W | A | -0.4901 | |
| 526 | L | A | 0.0000 | |
| 527 | T | A | 0.0000 | |
| 528 | I | A | 0.0000 | |
| 529 | N | A | -1.4663 | |
| 530 | N | A | -0.6296 | |
| 531 | I | A | -0.6282 | |
| 532 | S | A | -0.0386 | |
| 533 | L | A | 1.1592 | |
| 534 | M | A | 0.7799 | |
| 535 | K | A | -1.0922 | |
| 536 | G | A | -0.7167 | |
| 537 | G | A | -0.5942 | |
| 538 | S | A | -1.4774 | |
| 539 | K | A | -2.2956 | |
| 540 | E | A | -2.2505 | |
| 541 | Y | A | -1.8115 | |
| 542 | W | A | -1.9537 | |
| 543 | F | A | 0.0000 | |
| 544 | V | A | 0.0000 | |
| 545 | L | A | 0.0000 | |
| 546 | T | A | 0.0000 | |
| 547 | A | A | -0.3462 | |
| 548 | E | A | -1.5202 | |
| 549 | S | A | 0.0000 | |
| 550 | L | A | 0.0000 | |
| 551 | S | A | 0.0000 | |
| 552 | W | A | 0.0000 | |
| 553 | Y | A | -3.4496 | |
| 554 | K | A | -4.1210 | |
| 555 | D | A | -3.9402 | |
| 556 | E | A | -3.9283 | |
| 557 | E | A | -4.3257 | |
| 558 | E | A | -4.1610 | |
| 559 | K | A | -4.5495 | |
| 560 | E | A | -4.8066 | |
| 561 | K | A | -3.7870 | |
| 562 | K | A | -2.7285 | |
| 563 | Y | A | -0.8338 | |
| 564 | M | A | 0.2234 | |
| 565 | L | A | 0.0000 | |
| 566 | P | A | -1.2160 | |
| 567 | L | A | 0.0000 | |
| 568 | D | A | -2.7665 | |
| 569 | N | A | -2.6518 | |
| 570 | L | A | 0.0000 | |
| 571 | K | A | -1.5002 | |
| 572 | I | A | 0.0000 | |
| 573 | R | A | -2.4341 | |
| 574 | D | A | -2.8267 | |
| 575 | V | A | -1.9340 | |
| 576 | E | A | -2.5724 | |
| 577 | K | A | -2.0462 | |
| 578 | G | A | -0.3224 | |
| 579 | F | A | 1.5580 | |
| 580 | M | A | 1.3095 | |
| 581 | S | A | -0.5587 | |
| 582 | N | A | -1.6032 | |
| 583 | K | A | -2.0535 | |
| 584 | H | A | -2.3985 | |
| 585 | V | A | -1.6950 | |
| 586 | F | A | 0.0000 | |
| 587 | A | A | 0.0000 | |
| 588 | I | A | 0.0000 | |
| 589 | F | A | -2.0221 | |
| 590 | N | A | -3.0576 | |
| 591 | T | A | -2.7736 | |
| 592 | E | A | -3.5176 | |
| 593 | Q | A | -3.8292 | |
| 594 | R | A | -4.6073 | |
| 595 | N | A | -4.4047 | |
| 596 | V | A | 0.0000 | |
| 597 | Y | A | 0.0000 | |
| 598 | K | A | -3.2589 | |
| 599 | D | A | -3.5105 | |
| 600 | L | A | -2.8977 | |
| 601 | R | A | -4.0334 | |
| 602 | Q | A | -2.3127 | |
| 603 | I | A | 0.0000 | |
| 604 | E | A | -0.7275 | |
| 605 | L | A | 0.0000 | |
| 606 | A | A | 0.0000 | |
| 607 | C | A | 0.0000 | |
| 608 | D | A | -2.7255 | |
| 609 | S | A | -2.4062 | |
| 610 | Q | A | -2.3105 | |
| 611 | E | A | -2.9012 | |
| 612 | D | A | -2.3720 | |
| 613 | V | A | 0.0000 | |
| 614 | D | A | -1.5564 | |
| 615 | S | A | 0.0000 | |
| 616 | W | A | 0.0000 | |
| 617 | K | A | 0.0000 | |
| 618 | A | A | 0.0000 | |
| 619 | S | A | 0.0000 | |
| 620 | F | A | 0.0000 | |
| 621 | L | A | 0.0000 | |
| 622 | R | A | -1.8080 | |
| 623 | A | A | -1.2269 | |
| 624 | G | A | -1.4644 | |
| 625 | V | A | 0.0000 | |
| 626 | Y | A | -0.8068 | |
| 627 | P | A | -1.8192 | |
| 628 | E | A | -2.7131 | |
| 629 | K | A | -3.8248 | |
| 630 | D | A | -3.5953 | |
| 631 | Q | A | -3.4209 | |
| 632 | A | A | -2.7630 | |
| 633 | E | A | -3.8066 | |
| 634 | N | A | -3.8391 | |
| 635 | E | A | -3.9593 | |
| 636 | D | A | -3.6817 | |
| 637 | G | A | -2.3672 | |
| 638 | A | A | -2.1427 | |
| 639 | Q | A | -2.7819 | |
| 640 | E | A | -2.7969 | |
| 641 | N | A | -2.1366 | |
| 642 | T | A | -0.1898 | |
| 643 | F | A | 1.1375 | |
| 644 | S | A | 0.5315 | |
| 645 | M | A | 0.7423 | |
| 646 | D | A | -0.9471 | |
| 647 | P | A | -1.7121 | |
| 648 | Q | A | -2.3324 | |
| 649 | L | A | -1.7951 | |
| 650 | E | A | -2.3890 | |
| 651 | R | A | -3.0772 | |
| 652 | Q | A | -1.9031 | |
| 653 | V | A | 0.0000 | |
| 654 | E | A | -1.9931 | |
| 655 | T | A | 0.0000 | |
| 656 | I | A | 0.0000 | |
| 657 | R | A | -1.3646 | |
| 658 | N | A | 0.0000 | |
| 659 | L | A | 0.0000 | |
| 660 | V | A | 0.0000 | |
| 661 | D | A | -1.5531 | |
| 662 | S | A | -0.9514 | |
| 663 | Y | A | 0.0000 | |
| 664 | V | A | -0.7933 | |
| 665 | A | A | -1.0274 | |
| 666 | I | A | 0.0000 | |
| 667 | I | A | 0.0000 | |
| 668 | N | A | -1.2410 | |
| 669 | K | A | -2.2776 | |
| 670 | S | A | -1.5436 | |
| 671 | I | A | 0.0000 | |
| 672 | R | A | -2.1070 | |
| 673 | D | A | -2.7789 | |
| 674 | L | A | -1.4824 | |
| 675 | M | A | 0.0000 | |
| 676 | P | A | 0.0000 | |
| 677 | K | A | -2.1898 | |
| 678 | T | A | 0.0000 | |
| 679 | I | A | 0.0000 | |
| 680 | M | A | -1.0085 | |
| 681 | H | A | -1.5826 | |
| 682 | L | A | -1.1038 | |
| 683 | M | A | 0.0000 | |
| 684 | I | A | 0.0000 | |
| 685 | N | A | -1.4360 | |
| 686 | N | A | -1.0052 | |
| 687 | T | A | 0.0000 | |
| 688 | K | A | -1.1136 | |
| 689 | A | A | -1.1695 | |
| 690 | F | A | 0.0000 | |
| 691 | I | A | 0.0000 | |
| 692 | H | A | -1.5959 | |
| 693 | H | A | -1.9202 | |
| 694 | E | A | -1.4958 | |
| 695 | L | A | 0.0000 | |
| 696 | L | A | 0.2360 | |
| 697 | A | A | 0.3894 | |
| 698 | Y | A | 1.0777 | |
| 699 | L | A | 0.0000 | |
| 700 | Y | A | 0.6077 | |
| 701 | S | A | 0.1832 | |
| 702 | S | A | -0.0680 | |
| 703 | A | A | -0.9061 | |
| 704 | D | A | -1.9139 | |
| 705 | Q | A | -1.3542 | |
| 706 | S | A | -1.6232 | |
| 707 | S | A | -1.4070 | |
| 708 | L | A | 0.0000 | |
| 709 | M | A | 0.0000 | |
| 710 | E | A | -1.7025 | |
| 711 | E | A | -1.5121 | |
| 712 | S | A | -1.5878 | |
| 713 | A | A | -1.7385 | |
| 714 | E | A | -3.0946 | |
| 715 | Q | A | -2.6557 | |
| 716 | A | A | -2.6204 | |
| 717 | Q | A | -3.5051 | |
| 718 | R | A | -3.7373 | |
| 719 | R | A | -2.8562 | |
| 720 | D | A | -3.2332 | |
| 721 | D | A | -2.4767 | |
| 722 | M | A | -1.7593 | |
| 723 | L | A | -1.7433 | |
| 724 | R | A | -1.8021 | |
| 725 | M | A | -1.2968 | |
| 726 | Y | A | 0.0000 | |
| 727 | H | A | -1.8242 | |
| 728 | A | A | -1.7441 | |
| 729 | L | A | 0.0000 | |
| 730 | K | A | -2.3520 | |
| 731 | E | A | -3.0130 | |
| 732 | A | A | 0.0000 | |
| 733 | L | A | 0.0000 | |
| 734 | N | A | -2.4373 | |
| 735 | I | A | -1.7558 | |
| 736 | I | A | 0.0000 | |
| 737 | G | A | -1.7791 | |
| 738 | D | A | -2.0817 | |
| 739 | I | A | -1.3259 | |
| 740 | S | A | -0.8770 | |
| 741 | T | A | -0.3632 | |
| 742 | S | A | -0.5136 | |
| 743 | T | A | -0.4530 | |
| 744 | V | A | 0.9994 | |
| 745 | S | A | 0.0407 | |
| 746 | T | A | 0.1789 | |
| 747 | P | A | 0.0552 | |
| 748 | V | A | 0.1868 | |
| 749 | P | A | -0.1252 | |
| 750 | P | A | -0.5075 | |
| 751 | P | A | -0.8909 | |
| 752 | V | A | -1.3629 | |
| 753 | D | A | -2.2963 | |
| 754 | D | A | -2.2058 | |
| 755 | T | A | -1.0918 | |
| 756 | W | A | -0.0230 | |
| 757 | L | A | 0.1027 | |
| 758 | Q | A | -1.2985 | |
| 759 | N | A | -1.4475 | |
| 760 | T | A | -0.8606 | |
| 761 | S | A | -1.0356 | |
| 762 | S | A | -1.3018 | |
| 763 | H | A | -1.4682 | |
| 764 | S | A | -0.9374 | |
| 765 | P | A | -0.8128 | |
| 766 | T | A | -0.9658 | |
| 767 | P | A | -1.5315 | |
| 768 | Q | A | -2.6485 | |
| 769 | R | A | -3.5845 | |
| 770 | R | A | -2.9584 | |
| 771 | P | A | -0.7571 | |
| 772 | V | A | 1.1502 | |
| 773 | S | A | 0.7674 | |
| 774 | S | A | 0.7492 | |
| 775 | V | A | 1.0913 | |
| 776 | H | A | -0.4199 | |
| 777 | P | A | -0.6496 | |
| 778 | P | A | -1.2214 | |
| 779 | G | A | -1.7257 | |
| 780 | R | A | -2.3287 | |
| 781 | P | A | -1.3372 | |
| 782 | P | A | -0.3633 | |
| 783 | A | A | 0.4654 | |
| 784 | V | A | 0.7935 | |
| 785 | R | A | -1.3153 | |
| 786 | G | A | -1.2468 | |
| 787 | P | A | -1.0476 | |
| 788 | T | A | -0.5248 | |
| 789 | P | A | -0.6161 | |
| 790 | G | A | -0.7739 | |
| 791 | P | A | -0.3186 | |
| 792 | P | A | 0.6603 | |
| 793 | L | A | 2.2777 | |
| 794 | I | A | 2.8174 | |
| 795 | P | A | 1.5627 | |
| 796 | M | A | 1.6480 | |
| 797 | P | A | 0.9233 | |
| 798 | V | A | 1.6209 | |
| 799 | G | A | 0.4904 | |
| 800 | A | A | 0.1166 | |
| 801 | T | A | -0.2942 | |
| 802 | S | A | 0.0513 | |
| 803 | S | A | 0.5962 | |
| 804 | F | A | 1.7009 | |
| 805 | S | A | 0.6420 | |
| 806 | A | A | 0.3682 | |
| 807 | P | A | 0.0439 | |
| 808 | P | A | 0.5395 | |
| 809 | I | A | 1.6729 | |
| 810 | P | A | 0.1129 | |
| 811 | S | A | -1.0048 | |
| 812 | R | A | -2.2352 | |
| 813 | P | A | -1.6670 | |
| 814 | G | A | -1.5842 | |
| 815 | P | A | -1.2516 | |
| 816 | Q | A | -1.4291 | |
| 817 | N | A | -0.6663 | |
| 818 | V | A | 1.6423 | |
| 819 | F | A | 2.0100 | |
| 820 | A | A | 0.4255 | |
| 821 | N | A | -1.6674 | |
| 822 | N | A | -2.4116 | |
| 823 | D | A | -2.2653 | |
| 824 | P | A | -0.6210 | |
| 825 | F | A | 1.0919 | |
| 826 | S | A | 0.3495 | |
| 827 | A | A | 0.0320 | |
| 828 | P | A | -0.4355 | |
| 829 | P | A | -0.5269 | |
| 830 | Q | A | -0.4929 | |
| 831 | I | A | 0.9667 | |
| 832 | P | A | -0.1891 | |
| 833 | S | A | -0.9443 | |
| 834 | R | A | -1.8913 | |
| 835 | P | A | -1.3922 | |
| 836 | A | A | -0.9378 | |
| 837 | R | A | -0.9884 | |
| 838 | I | A | 0.8631 | |
| 839 | P | A | 0.0663 | |
| 840 | P | A | 0.1125 | |
| 841 | G | A | 0.4943 | |
| 842 | I | A | 1.5645 | |
| 843 | P | A | 0.3848 | |
| 844 | P | A | 0.1150 | |
| 845 | G | A | 0.2812 | |
| 846 | V | A | 1.3012 | |
| 847 | P | A | -0.0028 | |
| 848 | S | A | -1.3562 | |
| 849 | R | A | -2.8801 | |
| 850 | R | A | -2.8115 | |
| 851 | A | A | -1.3202 | |
| 852 | P | A | -0.5841 | |
| 853 | A | A | -0.0795 | |
| 854 | A | A | -0.1560 | |
| 855 | P | A | -0.6735 | |
| 856 | S | A | -1.3027 | |
| 857 | R | A | -2.1370 | |
| 858 | P | A | -0.7839 | |
| 859 | T | A | 0.6127 | |
| 860 | I | A | 2.4904 | |
| 861 | I | A | 2.0102 | |
| 862 | R | A | -0.5492 | |
| 863 | P | A | -1.0429 | |
| 864 | A | A | -1.5109 | |
| 865 | E | A | -2.0077 | |
| 866 | P | A | -0.8650 | |
| 867 | S | A | 0.4097 | |
| 868 | L | A | 1.7509 | |
| 869 | L | A | 1.3016 | |
| 870 | D | A | -0.6365 |
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 | -0.7461 | 5.3455 | View | CSV | PDB |
| 4.5 | -0.8286 | 5.3455 | View | CSV | PDB |
| 5.0 | -0.9285 | 5.3455 | View | CSV | PDB |
| 5.5 | -1.0292 | 5.3455 | View | CSV | PDB |
| 6.0 | -1.1129 | 5.3455 | View | CSV | PDB |
| 6.5 | -1.1663 | 5.3455 | View | CSV | PDB |
| 7.0 | -1.1882 | 5.3455 | View | CSV | PDB |
| 7.5 | -1.1883 | 5.3455 | View | CSV | PDB |
| 8.0 | -1.1753 | 5.3455 | View | CSV | PDB |
| 8.5 | -1.1513 | 5.3455 | View | CSV | PDB |
| 9.0 | -1.1147 | 5.3455 | 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