| Chain sequence(s) | MAAGVAAWLPFARAAAIGWMPVANCPMPLAPADKNKRQDELIVLNVSGRRFQTWRTTLERYPDTLLGSTEKEFFFNEDTKEYFFDRDPEVFRCVLNFYRTGKLHYPRYECISAYDDELAFYGILPEIIGDCCYEEYKDRKRENAERLMDDNDSENNQESMPSLSFRQTMWRAFENPHTSTLALVFYYVTGFFIAVSVITNVVETVPCGTVPGSKELPCGERYSVAFFCLDTACVMIFTVEYLLRLFAAPSRYRFIRSVMSIIDVVAIMPYYIGLVMTNNEDVSGAFVTLRVFRVFRIFKFSRHSQGLRILGYTLKSCASELGFLLFSLTMAIIIFATVMFYAEKGSSASKFTSIPASFWYTIVTMTTLGYGDMVPKTIAGKIFGSICSLSGVLVIALPVPVIVSNFSRIYHQNQRADKRRAQKKARLARIRVAKTGSSNAYLHSKRNGLLNEALELTGTPEEEQMGKTTSLIESQHHHLLHCLEKTTGLSYLVDDPLLSVRTSTIKNHEFIDEQMFEQNCMESSMQNYPSTRSPSLSSHSGLTTTCCSRRSKKTTHLPNSNLPATRLRSMQELSTLHIQGSEQPSLTTSRSSLNLKADDGLRPNCKTSQITTAIISIPTPPALTPEGESRPPPASPGPNTNIPSITSNVVKVSAL 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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:22:41)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e7ffadf541d9a0/tmp/folded.pdb (00:22:41)
[INFO] Main: Simulation completed successfully. (00:35:51)
|
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 | 1.2615 | |
| 2 | A | A | 0.9595 | |
| 3 | A | A | 0.8549 | |
| 4 | G | A | 0.9582 | |
| 5 | V | A | 2.3453 | |
| 6 | A | A | 1.4533 | |
| 7 | A | A | 1.6339 | |
| 8 | W | A | 2.4488 | |
| 9 | L | A | 1.9361 | |
| 10 | P | A | 0.9217 | |
| 11 | F | A | 2.1792 | |
| 12 | A | A | 0.9270 | |
| 13 | R | A | -0.3615 | |
| 14 | A | A | 0.8007 | |
| 15 | A | A | 0.9297 | |
| 16 | A | A | 0.9819 | |
| 17 | I | A | 2.0438 | |
| 18 | G | A | 1.1856 | |
| 19 | W | A | 2.3207 | |
| 20 | M | A | 2.0785 | |
| 21 | P | A | 1.2089 | |
| 22 | V | A | 1.8906 | |
| 23 | A | A | 0.9810 | |
| 24 | N | A | -0.3358 | |
| 25 | C | A | 0.5386 | |
| 26 | P | A | 0.4681 | |
| 27 | M | A | 1.3168 | |
| 28 | P | A | 1.0242 | |
| 29 | L | A | 1.6326 | |
| 30 | A | A | 0.5716 | |
| 31 | P | A | -0.5657 | |
| 32 | A | A | -1.4775 | |
| 33 | D | A | -3.6508 | |
| 34 | K | A | -3.9665 | |
| 35 | N | A | -4.3630 | |
| 36 | K | A | -4.6284 | |
| 37 | R | A | -4.5826 | |
| 38 | Q | A | -3.4423 | |
| 39 | D | A | -2.7245 | |
| 40 | E | A | -1.8799 | |
| 41 | L | A | 0.1112 | |
| 42 | I | A | 0.0000 | |
| 43 | V | A | -0.4523 | |
| 44 | L | A | 0.0000 | |
| 45 | N | A | 0.0000 | |
| 46 | V | A | 0.0000 | |
| 47 | S | A | -1.8136 | |
| 48 | G | A | -1.7049 | |
| 49 | R | A | -2.2780 | |
| 50 | R | A | -2.4884 | |
| 51 | F | A | -1.5932 | |
| 52 | Q | A | -0.9687 | |
| 53 | T | A | 0.0000 | |
| 54 | W | A | -0.2012 | |
| 55 | R | A | -1.4078 | |
| 56 | T | A | -1.4114 | |
| 57 | T | A | -1.1476 | |
| 58 | L | A | 0.0000 | |
| 59 | E | A | -2.5821 | |
| 60 | R | A | -2.9147 | |
| 61 | Y | A | -1.7270 | |
| 62 | P | A | -1.9383 | |
| 63 | D | A | -2.4057 | |
| 64 | T | A | 0.0000 | |
| 65 | L | A | -0.8906 | |
| 66 | L | A | 0.0000 | |
| 67 | G | A | 0.0000 | |
| 68 | S | A | -1.7364 | |
| 69 | T | A | -1.2797 | |
| 70 | E | A | -1.3437 | |
| 71 | K | A | 0.0000 | |
| 72 | E | A | -1.0877 | |
| 73 | F | A | 1.0881 | |
| 74 | F | A | 0.6092 | |
| 75 | F | A | -0.5829 | |
| 76 | N | A | -2.0993 | |
| 77 | E | A | -3.4845 | |
| 78 | D | A | -3.3405 | |
| 79 | T | A | -2.2863 | |
| 80 | K | A | -2.8314 | |
| 81 | E | A | 0.0000 | |
| 82 | Y | A | 0.0000 | |
| 83 | F | A | 0.2956 | |
| 84 | F | A | 0.0000 | |
| 85 | D | A | -2.0827 | |
| 86 | R | A | -1.8382 | |
| 87 | D | A | -1.9628 | |
| 88 | P | A | -1.9294 | |
| 89 | E | A | -1.3178 | |
| 90 | V | A | 0.0000 | |
| 91 | F | A | 0.0000 | |
| 92 | R | A | -1.1018 | |
| 93 | C | A | 0.0000 | |
| 94 | V | A | 0.0000 | |
| 95 | L | A | 0.0000 | |
| 96 | N | A | -1.5763 | |
| 97 | F | A | 0.0000 | |
| 98 | Y | A | 0.0000 | |
| 99 | R | A | -1.7764 | |
| 100 | T | A | -1.3621 | |
| 101 | G | A | -1.4026 | |
| 102 | K | A | -2.2259 | |
| 103 | L | A | 0.0000 | |
| 104 | H | A | -1.3543 | |
| 105 | Y | A | 0.0000 | |
| 106 | P | A | -0.8079 | |
| 107 | R | A | -1.4463 | |
| 108 | Y | A | 0.3787 | |
| 109 | E | A | -0.0550 | |
| 110 | C | A | -0.0714 | |
| 111 | I | A | 0.0000 | |
| 112 | S | A | -0.7590 | |
| 113 | A | A | -0.7980 | |
| 114 | Y | A | 0.0000 | |
| 115 | D | A | -0.9743 | |
| 116 | D | A | -1.7513 | |
| 117 | E | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | A | A | -0.2746 | |
| 120 | F | A | -0.1247 | |
| 121 | Y | A | 0.0000 | |
| 122 | G | A | -0.2324 | |
| 123 | I | A | 0.0000 | |
| 124 | L | A | 0.6426 | |
| 125 | P | A | -0.2632 | |
| 126 | E | A | -1.0220 | |
| 127 | I | A | -0.2063 | |
| 128 | I | A | 0.0000 | |
| 129 | G | A | -1.4299 | |
| 130 | D | A | -1.8629 | |
| 131 | C | A | -0.5102 | |
| 132 | C | A | -1.1700 | |
| 133 | Y | A | -1.8241 | |
| 134 | E | A | -2.9768 | |
| 135 | E | A | -2.8755 | |
| 136 | Y | A | 0.0000 | |
| 137 | K | A | -3.6103 | |
| 138 | D | A | -4.2858 | |
| 139 | R | A | -3.7933 | |
| 140 | K | A | -3.7100 | |
| 141 | R | A | -4.4759 | |
| 142 | E | A | -3.9849 | |
| 143 | N | A | -2.6781 | |
| 144 | A | A | -2.2958 | |
| 145 | E | A | -3.0715 | |
| 146 | R | A | -2.5760 | |
| 147 | L | A | -1.0524 | |
| 148 | M | A | -1.0960 | |
| 149 | D | A | -2.1115 | |
| 150 | D | A | -2.4936 | |
| 151 | N | A | -3.1731 | |
| 152 | D | A | -3.5809 | |
| 153 | S | A | -3.5368 | |
| 154 | E | A | -4.4558 | |
| 155 | N | A | -4.2591 | |
| 156 | N | A | -3.6518 | |
| 157 | Q | A | -3.3334 | |
| 158 | E | A | -3.2693 | |
| 159 | S | A | -1.6852 | |
| 160 | M | A | -0.6489 | |
| 161 | P | A | -0.2334 | |
| 162 | S | A | 0.1209 | |
| 163 | L | A | 0.2790 | |
| 164 | S | A | 0.0433 | |
| 165 | F | A | 0.7436 | |
| 166 | R | A | -1.0761 | |
| 167 | Q | A | -1.4819 | |
| 168 | T | A | -0.4843 | |
| 169 | M | A | -0.3227 | |
| 170 | W | A | -0.8990 | |
| 171 | R | A | -1.6700 | |
| 172 | A | A | -0.8988 | |
| 173 | F | A | -0.7223 | |
| 174 | E | A | -2.2106 | |
| 175 | N | A | -1.6826 | |
| 176 | P | A | -0.2206 | |
| 177 | H | A | -0.9192 | |
| 178 | T | A | -0.7510 | |
| 179 | S | A | 0.3687 | |
| 180 | T | A | 1.2157 | |
| 181 | L | A | 2.3678 | |
| 182 | A | A | 0.0000 | |
| 183 | L | A | 2.3374 | |
| 184 | V | A | 3.5144 | |
| 185 | F | A | 3.0710 | |
| 186 | Y | A | 2.3641 | |
| 187 | Y | A | 3.3776 | |
| 188 | V | A | 3.3045 | |
| 189 | T | A | 0.0000 | |
| 190 | G | A | 2.2462 | |
| 191 | F | A | 3.0238 | |
| 192 | F | A | 2.2906 | |
| 193 | I | A | 0.0000 | |
| 194 | A | A | 1.9073 | |
| 195 | V | A | 1.8325 | |
| 196 | S | A | 0.0000 | |
| 197 | V | A | 2.4674 | |
| 198 | I | A | 3.0510 | |
| 199 | T | A | 0.0000 | |
| 200 | N | A | 1.8031 | |
| 201 | V | A | 3.0453 | |
| 202 | V | A | 2.3481 | |
| 203 | E | A | 0.6522 | |
| 204 | T | A | 0.8346 | |
| 205 | V | A | 1.4744 | |
| 206 | P | A | -0.5986 | |
| 207 | C | A | -0.2892 | |
| 208 | G | A | -0.4410 | |
| 209 | T | A | -0.5254 | |
| 210 | V | A | 0.5543 | |
| 211 | P | A | -0.3005 | |
| 212 | G | A | -0.8647 | |
| 213 | S | A | -1.2289 | |
| 214 | K | A | -2.4605 | |
| 215 | E | A | -2.2918 | |
| 216 | L | A | -1.4414 | |
| 217 | P | A | -0.9379 | |
| 218 | C | A | -0.3856 | |
| 219 | G | A | -0.1174 | |
| 220 | E | A | -1.9684 | |
| 221 | R | A | -1.5629 | |
| 222 | Y | A | 0.4498 | |
| 223 | S | A | 0.7797 | |
| 224 | V | A | 2.5604 | |
| 225 | A | A | 1.8989 | |
| 226 | F | A | 1.8670 | |
| 227 | F | A | 3.2553 | |
| 228 | C | A | 2.3755 | |
| 229 | L | A | 1.9713 | |
| 230 | D | A | 0.0000 | |
| 231 | T | A | 1.2480 | |
| 232 | A | A | 1.0407 | |
| 233 | C | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | M | A | 1.2277 | |
| 236 | I | A | 1.5810 | |
| 237 | F | A | 0.0000 | |
| 238 | T | A | 1.5267 | |
| 239 | V | A | 2.4020 | |
| 240 | E | A | 0.0000 | |
| 241 | Y | A | 0.0000 | |
| 242 | L | A | 1.9688 | |
| 243 | L | A | 1.7776 | |
| 244 | R | A | 0.0000 | |
| 245 | L | A | 1.3533 | |
| 246 | F | A | 1.5919 | |
| 247 | A | A | 0.0000 | |
| 248 | A | A | 0.0000 | |
| 249 | P | A | -0.8658 | |
| 250 | S | A | -0.5809 | |
| 251 | R | A | -0.8452 | |
| 252 | Y | A | -0.3638 | |
| 253 | R | A | -2.0155 | |
| 254 | F | A | 0.0000 | |
| 255 | I | A | 0.2422 | |
| 256 | R | A | -1.2277 | |
| 257 | S | A | 0.1928 | |
| 258 | V | A | 1.8557 | |
| 259 | M | A | 1.4125 | |
| 260 | S | A | 0.0000 | |
| 261 | I | A | 2.5452 | |
| 262 | I | A | 2.3744 | |
| 263 | D | A | 0.0000 | |
| 264 | V | A | 2.0279 | |
| 265 | V | A | 1.8368 | |
| 266 | A | A | 0.0000 | |
| 267 | I | A | 0.0000 | |
| 268 | M | A | 1.0835 | |
| 269 | P | A | 0.0000 | |
| 270 | Y | A | 0.0000 | |
| 271 | Y | A | 1.8462 | |
| 272 | I | A | 2.1129 | |
| 273 | G | A | 0.0000 | |
| 274 | L | A | 2.3996 | |
| 275 | V | A | 2.3771 | |
| 276 | M | A | 0.6390 | |
| 277 | T | A | -0.4175 | |
| 278 | N | A | -1.9999 | |
| 279 | N | A | -3.0451 | |
| 280 | E | A | -3.6223 | |
| 281 | D | A | -3.2221 | |
| 282 | V | A | -1.5359 | |
| 283 | S | A | -1.1160 | |
| 284 | G | A | -0.2810 | |
| 285 | A | A | 0.2653 | |
| 286 | F | A | 1.4728 | |
| 287 | V | A | 1.6134 | |
| 288 | T | A | 1.0194 | |
| 289 | L | A | 1.0209 | |
| 290 | R | A | 0.2597 | |
| 291 | V | A | 2.0090 | |
| 292 | F | A | 1.5704 | |
| 293 | R | A | 1.0255 | |
| 294 | V | A | 2.3127 | |
| 295 | F | A | 2.2678 | |
| 296 | R | A | 0.0000 | |
| 297 | I | A | 2.1013 | |
| 298 | F | A | 2.1329 | |
| 299 | K | A | 0.0000 | |
| 300 | F | A | 0.9245 | |
| 301 | S | A | 0.0000 | |
| 302 | R | A | -0.4366 | |
| 303 | H | A | -0.1468 | |
| 304 | S | A | -0.6217 | |
| 305 | Q | A | -1.5040 | |
| 306 | G | A | -0.6707 | |
| 307 | L | A | 0.1521 | |
| 308 | R | A | -0.6904 | |
| 309 | I | A | 0.2570 | |
| 310 | L | A | 0.8331 | |
| 311 | G | A | 0.4641 | |
| 312 | Y | A | 1.1125 | |
| 313 | T | A | 0.0000 | |
| 314 | L | A | 0.6450 | |
| 315 | K | A | -0.7905 | |
| 316 | S | A | -0.2036 | |
| 317 | C | A | 0.0000 | |
| 318 | A | A | -0.1586 | |
| 319 | S | A | -0.0034 | |
| 320 | E | A | 0.9694 | |
| 321 | L | A | 1.3307 | |
| 322 | G | A | 1.4033 | |
| 323 | F | A | 2.2767 | |
| 324 | L | A | 2.5519 | |
| 325 | L | A | 3.0252 | |
| 326 | F | A | 3.2513 | |
| 327 | S | A | 2.1131 | |
| 328 | L | A | 2.0301 | |
| 329 | T | A | 2.2143 | |
| 330 | M | A | 2.0767 | |
| 331 | A | A | 1.8885 | |
| 332 | I | A | 0.0000 | |
| 333 | I | A | 2.4513 | |
| 334 | I | A | 2.9430 | |
| 335 | F | A | 2.4553 | |
| 336 | A | A | 0.0000 | |
| 337 | T | A | 1.8766 | |
| 338 | V | A | 1.8789 | |
| 339 | M | A | 0.0000 | |
| 340 | F | A | 0.5540 | |
| 341 | Y | A | 1.0253 | |
| 342 | A | A | 0.5627 | |
| 343 | E | A | 0.0000 | |
| 344 | K | A | -1.6251 | |
| 345 | G | A | -1.2275 | |
| 346 | S | A | -1.3509 | |
| 347 | S | A | -0.9975 | |
| 348 | A | A | -0.9821 | |
| 349 | S | A | -1.4458 | |
| 350 | K | A | -2.0682 | |
| 351 | F | A | 0.0000 | |
| 352 | T | A | -0.8122 | |
| 353 | S | A | -0.1024 | |
| 354 | I | A | 1.3317 | |
| 355 | P | A | 0.4726 | |
| 356 | A | A | 0.1885 | |
| 357 | S | A | 0.0000 | |
| 358 | F | A | 1.6519 | |
| 359 | W | A | 1.1387 | |
| 360 | Y | A | 0.0000 | |
| 361 | T | A | 0.0000 | |
| 362 | I | A | 1.4770 | |
| 363 | V | A | 0.0000 | |
| 364 | T | A | 1.1975 | |
| 365 | M | A | 0.0000 | |
| 366 | T | A | 0.9822 | |
| 367 | T | A | 1.2335 | |
| 368 | L | A | 1.7039 | |
| 369 | G | A | 0.7711 | |
| 370 | Y | A | 1.0538 | |
| 371 | G | A | -0.0733 | |
| 372 | D | A | -1.0204 | |
| 373 | M | A | 0.0000 | |
| 374 | V | A | -0.0230 | |
| 375 | P | A | -0.1405 | |
| 376 | K | A | -1.1173 | |
| 377 | T | A | 0.1639 | |
| 378 | I | A | 1.7965 | |
| 379 | A | A | 1.3312 | |
| 380 | G | A | 0.0000 | |
| 381 | K | A | 0.4160 | |
| 382 | I | A | 2.0409 | |
| 383 | F | A | 2.1096 | |
| 384 | G | A | 0.0000 | |
| 385 | S | A | 1.1287 | |
| 386 | I | A | 2.0027 | |
| 387 | C | A | 0.0000 | |
| 388 | S | A | 1.6242 | |
| 389 | L | A | 2.7545 | |
| 390 | S | A | 2.1675 | |
| 391 | G | A | 0.0000 | |
| 392 | V | A | 3.1181 | |
| 393 | L | A | 3.2917 | |
| 394 | V | A | 2.4975 | |
| 395 | I | A | 2.4624 | |
| 396 | A | A | 2.3946 | |
| 397 | L | A | 2.8101 | |
| 398 | P | A | 0.0000 | |
| 399 | V | A | 2.1533 | |
| 400 | P | A | 1.8330 | |
| 401 | V | A | 2.3141 | |
| 402 | I | A | 1.9407 | |
| 403 | V | A | 2.1735 | |
| 404 | S | A | 0.9375 | |
| 405 | N | A | 0.5724 | |
| 406 | F | A | 1.1708 | |
| 407 | S | A | -0.0958 | |
| 408 | R | A | -1.6893 | |
| 409 | I | A | -0.4857 | |
| 410 | Y | A | -0.3515 | |
| 411 | H | A | -1.9696 | |
| 412 | Q | A | -2.4185 | |
| 413 | N | A | -2.1311 | |
| 414 | Q | A | -2.9296 | |
| 415 | R | A | -3.8304 | |
| 416 | A | A | -3.2716 | |
| 417 | D | A | -3.3722 | |
| 418 | K | A | -4.3688 | |
| 419 | R | A | -4.3557 | |
| 420 | R | A | -4.0762 | |
| 421 | A | A | -3.1876 | |
| 422 | Q | A | -3.6011 | |
| 423 | K | A | -3.4271 | |
| 424 | K | A | -3.0467 | |
| 425 | A | A | -2.7375 | |
| 426 | R | A | -3.3677 | |
| 427 | L | A | -1.8530 | |
| 428 | A | A | -1.9026 | |
| 429 | R | A | -2.4429 | |
| 430 | I | A | -1.5169 | |
| 431 | R | A | -1.9653 | |
| 432 | V | A | -0.0863 | |
| 433 | A | A | -1.0177 | |
| 434 | K | A | -2.2045 | |
| 435 | T | A | -1.0756 | |
| 436 | G | A | -0.8606 | |
| 437 | S | A | -0.9387 | |
| 438 | S | A | -0.6992 | |
| 439 | N | A | -1.4702 | |
| 440 | A | A | -0.8824 | |
| 441 | Y | A | -0.0712 | |
| 442 | L | A | -1.0276 | |
| 443 | H | A | -2.0935 | |
| 444 | S | A | -1.6247 | |
| 445 | K | A | -2.2164 | |
| 446 | R | A | -2.7495 | |
| 447 | N | A | -2.3767 | |
| 448 | G | A | -1.7172 | |
| 449 | L | A | -0.4853 | |
| 450 | L | A | 0.0144 | |
| 451 | N | A | -1.1051 | |
| 452 | E | A | -1.5198 | |
| 453 | A | A | 0.1810 | |
| 454 | L | A | 0.7117 | |
| 455 | E | A | -1.0646 | |
| 456 | L | A | 0.4459 | |
| 457 | T | A | 0.0509 | |
| 458 | G | A | -1.0222 | |
| 459 | T | A | -1.4571 | |
| 460 | P | A | -2.3542 | |
| 461 | E | A | -3.5344 | |
| 462 | E | A | -3.8810 | |
| 463 | E | A | -4.0453 | |
| 464 | Q | A | -2.8812 | |
| 465 | M | A | -1.1158 | |
| 466 | G | A | -1.7296 | |
| 467 | K | A | -1.7531 | |
| 468 | T | A | -0.2848 | |
| 469 | T | A | 0.0108 | |
| 470 | S | A | -0.3343 | |
| 471 | L | A | 0.8457 | |
| 472 | I | A | 0.6459 | |
| 473 | E | A | -1.5023 | |
| 474 | S | A | -1.1543 | |
| 475 | Q | A | -1.4234 | |
| 476 | H | A | -1.5801 | |
| 477 | H | A | -1.7776 | |
| 478 | H | A | -1.4847 | |
| 479 | L | A | -0.1661 | |
| 480 | L | A | 0.0118 | |
| 481 | H | A | -0.9925 | |
| 482 | C | A | -0.0350 | |
| 483 | L | A | 0.1312 | |
| 484 | E | A | -1.6823 | |
| 485 | K | A | -1.8729 | |
| 486 | T | A | -0.8082 | |
| 487 | T | A | -0.6105 | |
| 488 | G | A | -0.4382 | |
| 489 | L | A | 1.1962 | |
| 490 | S | A | 1.1339 | |
| 491 | Y | A | 2.5502 | |
| 492 | L | A | 2.5281 | |
| 493 | V | A | 1.5155 | |
| 494 | D | A | -1.1096 | |
| 495 | D | A | -1.5169 | |
| 496 | P | A | -0.0660 | |
| 497 | L | A | 1.7094 | |
| 498 | L | A | 1.8916 | |
| 499 | S | A | 0.8900 | |
| 500 | V | A | 1.3914 | |
| 501 | R | A | -0.8555 | |
| 502 | T | A | -0.3141 | |
| 503 | S | A | -0.4134 | |
| 504 | T | A | 0.0317 | |
| 505 | I | A | 0.3648 | |
| 506 | K | A | -1.7325 | |
| 507 | N | A | -1.8746 | |
| 508 | H | A | -2.2797 | |
| 509 | E | A | -2.7000 | |
| 510 | F | A | -0.7751 | |
| 511 | I | A | -0.2171 | |
| 512 | D | A | -1.8818 | |
| 513 | E | A | -2.2714 | |
| 514 | Q | A | -1.5651 | |
| 515 | M | A | -0.2709 | |
| 516 | F | A | 0.0305 | |
| 517 | E | A | -2.1601 | |
| 518 | Q | A | -1.8839 | |
| 519 | N | A | -1.5445 | |
| 520 | C | A | -0.3577 | |
| 521 | M | A | -0.1849 | |
| 522 | E | A | -1.3406 | |
| 523 | S | A | -1.1315 | |
| 524 | S | A | -0.4018 | |
| 525 | M | A | 0.1604 | |
| 526 | Q | A | -1.2952 | |
| 527 | N | A | -1.0910 | |
| 528 | Y | A | 0.4155 | |
| 529 | P | A | -0.1620 | |
| 530 | S | A | -0.4360 | |
| 531 | T | A | -1.0120 | |
| 532 | R | A | -2.0842 | |
| 533 | S | A | -1.2929 | |
| 534 | P | A | -0.5052 | |
| 535 | S | A | 0.4093 | |
| 536 | L | A | 1.2270 | |
| 537 | S | A | 0.1870 | |
| 538 | S | A | -0.5340 | |
| 539 | H | A | -1.3307 | |
| 540 | S | A | -0.6359 | |
| 541 | G | A | -0.0309 | |
| 542 | L | A | 1.2312 | |
| 543 | T | A | 0.5219 | |
| 544 | T | A | 0.3240 | |
| 545 | T | A | 0.4293 | |
| 546 | C | A | 1.0235 | |
| 547 | C | A | 0.6339 | |
| 548 | S | A | -1.1436 | |
| 549 | R | A | -2.8066 | |
| 550 | R | A | -3.3447 | |
| 551 | S | A | -2.8358 | |
| 552 | K | A | -3.1782 | |
| 553 | K | A | -2.7262 | |
| 554 | T | A | -1.6510 | |
| 555 | T | A | -0.8978 | |
| 556 | H | A | -0.3678 | |
| 557 | L | A | 0.6749 | |
| 558 | P | A | -0.3107 | |
| 559 | N | A | -1.3202 | |
| 560 | S | A | -1.2397 | |
| 561 | N | A | -0.8650 | |
| 562 | L | A | 0.5354 | |
| 563 | P | A | 0.0624 | |
| 564 | A | A | -0.1959 | |
| 565 | T | A | -0.8489 | |
| 566 | R | A | -1.6943 | |
| 567 | L | A | -0.2959 | |
| 568 | R | A | -1.5500 | |
| 569 | S | A | -0.9570 | |
| 570 | M | A | 0.0002 | |
| 571 | Q | A | -1.5037 | |
| 572 | E | A | -1.4607 | |
| 573 | L | A | 0.5825 | |
| 574 | S | A | 0.1836 | |
| 575 | T | A | 0.6292 | |
| 576 | L | A | 1.5572 | |
| 577 | H | A | 0.2411 | |
| 578 | I | A | 1.2057 | |
| 579 | Q | A | -0.8158 | |
| 580 | G | A | -1.2247 | |
| 581 | S | A | -1.7125 | |
| 582 | E | A | -2.8637 | |
| 583 | Q | A | -2.2120 | |
| 584 | P | A | -1.1136 | |
| 585 | S | A | -0.1843 | |
| 586 | L | A | 1.1618 | |
| 587 | T | A | 0.3132 | |
| 588 | T | A | -0.2410 | |
| 589 | S | A | -1.0531 | |
| 590 | R | A | -2.1408 | |
| 591 | S | A | -1.1033 | |
| 592 | S | A | -0.1187 | |
| 593 | L | A | 1.0959 | |
| 594 | N | A | -0.1519 | |
| 595 | L | A | 0.3992 | |
| 596 | K | A | -1.6130 | |
| 597 | A | A | -1.9347 | |
| 598 | D | A | -3.0748 | |
| 599 | D | A | -2.5626 | |
| 600 | G | A | -1.5058 | |
| 601 | L | A | 0.0103 | |
| 602 | R | A | -1.6109 | |
| 603 | P | A | -1.5858 | |
| 604 | N | A | -1.8227 | |
| 605 | C | A | -0.8190 | |
| 606 | K | A | -1.7731 | |
| 607 | T | A | -1.1096 | |
| 608 | S | A | -0.7164 | |
| 609 | Q | A | -0.3479 | |
| 610 | I | A | 1.3329 | |
| 611 | T | A | 0.7974 | |
| 612 | T | A | 1.1019 | |
| 613 | A | A | 1.6791 | |
| 614 | I | A | 2.9405 | |
| 615 | I | A | 3.3528 | |
| 616 | S | A | 2.1308 | |
| 617 | I | A | 2.2042 | |
| 618 | P | A | 0.5487 | |
| 619 | T | A | 0.1302 | |
| 620 | P | A | -0.0856 | |
| 621 | P | A | -0.0328 | |
| 622 | A | A | 0.5706 | |
| 623 | L | A | 1.2000 | |
| 624 | T | A | 0.0364 | |
| 625 | P | A | -0.9303 | |
| 626 | E | A | -2.4660 | |
| 627 | G | A | -2.5190 | |
| 628 | E | A | -2.9300 | |
| 629 | S | A | -2.1219 | |
| 630 | R | A | -2.5033 | |
| 631 | P | A | -1.3484 | |
| 632 | P | A | -0.9122 | |
| 633 | P | A | -0.4450 | |
| 634 | A | A | -0.2816 | |
| 635 | S | A | -0.4858 | |
| 636 | P | A | -0.6332 | |
| 637 | G | A | -1.0217 | |
| 638 | P | A | -1.1848 | |
| 639 | N | A | -1.8122 | |
| 640 | T | A | -0.9813 | |
| 641 | N | A | -0.6978 | |
| 642 | I | A | 1.4866 | |
| 643 | P | A | 0.7811 | |
| 644 | S | A | 0.9328 | |
| 645 | I | A | 1.9020 | |
| 646 | T | A | 0.6334 | |
| 647 | S | A | 0.2208 | |
| 648 | N | A | -0.0415 | |
| 649 | V | A | 1.6976 | |
| 650 | V | A | 1.8761 | |
| 651 | K | A | 0.2901 | |
| 652 | V | A | 1.7079 | |
| 653 | S | A | 0.7502 | |
| 654 | A | A | 0.9425 | |
| 655 | L | A | 1.7186 |
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 | 0.0562 | 6.5835 | View | CSV | PDB |
| 4.5 | -0.0034 | 6.5835 | View | CSV | PDB |
| 5.0 | -0.0798 | 6.5835 | View | CSV | PDB |
| 5.5 | -0.1571 | 6.5835 | View | CSV | PDB |
| 6.0 | -0.2209 | 6.5835 | View | CSV | PDB |
| 6.5 | -0.2621 | 6.5835 | View | CSV | PDB |
| 7.0 | -0.2779 | 6.5835 | View | CSV | PDB |
| 7.5 | -0.2729 | 6.5835 | View | CSV | PDB |
| 8.0 | -0.2552 | 6.5835 | View | CSV | PDB |
| 8.5 | -0.2295 | 6.5835 | View | CSV | PDB |
| 9.0 | -0.1962 | 6.5835 | 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