| Chain sequence(s) | MATKEKLQCLKDFHKDILKPSPGKSPGTRPEDEADGKPPQREKWSSKIDFVLSVAGGFVGLGNVWRFPYLCYKNGGGAFLIPYFIFLFGSGLPVFFLEVIIGQYTSEGGITCWEKICPLFSGIGYASIVIVSLLNVYYIVILAWATYYLFHSFQKDLPWAHCNHSWNTPQCMEDTLRRNESHWVSLSTANFTSPVIEFWERNVLSLSSGIDNPGSLKWDLALCLLLVWLVCFFCIWKGVRSTGKVVYFTATFPFAMLLVLLVRGLTLPGAGEGIKFYLYPDISRLGDPQVWIDAGTQIFFSYAICLGAMTSLGSYNKYKYNSYRDCMLLGCLNSGTSFVSGFAIFSILGFMAQEQGVDIADVAESGPGLAFIAYPKAVTMMPLPTFWSILFFIMLLLLGLDSQFVEVEGQITSLVDLYPSFLRKGYRREIFIAILCSISYLLGLTMVTEGGMYVFQLFDYYAASGVCLLWVAFFECFVIAWIYGGDNLYDGIEDMIGYRPGPWMKYSWAVITPALCVGCFVFSLVKYVPLTYNKVYRYPDWAIGLGWGLALSSMLCIPLVIVILLCRTEGPLRVRIKYLITPREPNRWAVEREGATPFHSRVTLMNGALMKPSHVIVETMM 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 globular. Max score is recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:18:33)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d0655fd63ccd67/tmp/folded.pdb (00:18:33)
[INFO] Main: Simulation completed successfully. (00:29:36)
|
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 | -0.1229 | |
| 2 | A | A | -0.9866 | |
| 3 | T | A | -1.4371 | |
| 4 | K | A | -2.4522 | |
| 5 | E | A | -2.9793 | |
| 6 | K | A | -2.5542 | |
| 7 | L | A | -1.1130 | |
| 8 | Q | A | -1.9141 | |
| 9 | C | A | -0.9107 | |
| 10 | L | A | -0.7799 | |
| 11 | K | A | -2.1169 | |
| 12 | D | A | -1.6938 | |
| 13 | F | A | -0.0318 | |
| 14 | H | A | -1.8327 | |
| 15 | K | A | -2.9671 | |
| 16 | D | A | -2.7007 | |
| 17 | I | A | -1.3745 | |
| 18 | L | A | -1.6732 | |
| 19 | K | A | -2.6156 | |
| 20 | P | A | -1.8176 | |
| 21 | S | A | -1.2412 | |
| 22 | P | A | -1.0088 | |
| 23 | G | A | -1.0399 | |
| 24 | K | A | -1.5223 | |
| 25 | S | A | -1.0536 | |
| 26 | P | A | -1.3228 | |
| 27 | G | A | -1.2571 | |
| 28 | T | A | 0.0000 | |
| 29 | R | A | -1.8315 | |
| 30 | P | A | -1.9116 | |
| 31 | E | A | -2.3819 | |
| 32 | D | A | 0.0000 | |
| 33 | E | A | -2.3725 | |
| 34 | A | A | -2.0302 | |
| 35 | D | A | -2.8923 | |
| 36 | G | A | -2.2825 | |
| 37 | K | A | -2.5209 | |
| 38 | P | A | -1.1181 | |
| 39 | P | A | 0.0000 | |
| 40 | Q | A | -1.1653 | |
| 41 | R | A | 0.0000 | |
| 42 | E | A | -1.1071 | |
| 43 | K | A | -1.7118 | |
| 44 | W | A | -1.2664 | |
| 45 | S | A | -1.1041 | |
| 46 | S | A | -0.8786 | |
| 47 | K | A | -1.4527 | |
| 48 | I | A | 0.1655 | |
| 49 | D | A | 0.0000 | |
| 50 | F | A | 0.0000 | |
| 51 | V | A | 0.4284 | |
| 52 | L | A | 0.5971 | |
| 53 | S | A | 0.0000 | |
| 54 | V | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | G | A | 0.0000 | |
| 57 | G | A | 0.0000 | |
| 58 | F | A | 0.0000 | |
| 59 | V | A | 0.0000 | |
| 60 | G | A | 0.0000 | |
| 61 | L | A | 0.0000 | |
| 62 | G | A | -0.1947 | |
| 63 | N | A | 0.0000 | |
| 64 | V | A | 0.0000 | |
| 65 | W | A | -0.1711 | |
| 66 | R | A | -0.5365 | |
| 67 | F | A | 0.0000 | |
| 68 | P | A | 0.0000 | |
| 69 | Y | A | -0.4693 | |
| 70 | L | A | 0.0000 | |
| 71 | C | A | 0.0000 | |
| 72 | Y | A | 0.0000 | |
| 73 | K | A | -1.0280 | |
| 74 | N | A | 0.0000 | |
| 75 | G | A | -0.1156 | |
| 76 | G | A | 0.0000 | |
| 77 | G | A | 0.0000 | |
| 78 | A | A | 0.0000 | |
| 79 | F | A | 0.0000 | |
| 80 | L | A | 0.0000 | |
| 81 | I | A | 1.6561 | |
| 82 | P | A | 0.0000 | |
| 83 | Y | A | 0.0000 | |
| 84 | F | A | 1.8941 | |
| 85 | I | A | 2.1351 | |
| 86 | F | A | 0.0000 | |
| 87 | L | A | 0.0000 | |
| 88 | F | A | 2.3692 | |
| 89 | G | A | 0.0000 | |
| 90 | S | A | 0.0000 | |
| 91 | G | A | 0.0000 | |
| 92 | L | A | 0.0000 | |
| 93 | P | A | 0.0000 | |
| 94 | V | A | 0.0000 | |
| 95 | F | A | 0.0000 | |
| 96 | F | A | 0.0000 | |
| 97 | L | A | 0.0000 | |
| 98 | E | A | 0.0000 | |
| 99 | V | A | 0.0000 | |
| 100 | I | A | 0.0000 | |
| 101 | I | A | 0.0000 | |
| 102 | G | A | 0.0000 | |
| 103 | Q | A | 0.0000 | |
| 104 | Y | A | -0.6351 | |
| 105 | T | A | 0.0000 | |
| 106 | S | A | -0.7658 | |
| 107 | E | A | -0.3854 | |
| 108 | G | A | 0.0000 | |
| 109 | G | A | 0.0000 | |
| 110 | I | A | 0.0000 | |
| 111 | T | A | -0.1718 | |
| 112 | C | A | 0.0000 | |
| 113 | W | A | 0.0000 | |
| 114 | E | A | -0.8913 | |
| 115 | K | A | -1.4934 | |
| 116 | I | A | 0.0000 | |
| 117 | C | A | 0.0000 | |
| 118 | P | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | F | A | 0.0000 | |
| 121 | S | A | 0.0000 | |
| 122 | G | A | 0.0000 | |
| 123 | I | A | 0.0000 | |
| 124 | G | A | 0.0000 | |
| 125 | Y | A | 0.7136 | |
| 126 | A | A | 0.0000 | |
| 127 | S | A | 0.0000 | |
| 128 | I | A | 0.0000 | |
| 129 | V | A | 0.6119 | |
| 130 | I | A | 0.0000 | |
| 131 | V | A | 0.0000 | |
| 132 | S | A | 0.1960 | |
| 133 | L | A | 0.2591 | |
| 134 | L | A | 0.0000 | |
| 135 | N | A | 0.0000 | |
| 136 | V | A | 0.0000 | |
| 137 | Y | A | 0.0000 | |
| 138 | Y | A | 0.0375 | |
| 139 | I | A | 0.0000 | |
| 140 | V | A | 0.0000 | |
| 141 | I | A | 0.0000 | |
| 142 | L | A | 0.0000 | |
| 143 | A | A | 0.0000 | |
| 144 | W | A | 0.0000 | |
| 145 | A | A | 0.0000 | |
| 146 | T | A | 0.0000 | |
| 147 | Y | A | 0.0000 | |
| 148 | Y | A | 0.0000 | |
| 149 | L | A | 1.6036 | |
| 150 | F | A | 2.2685 | |
| 151 | H | A | 0.8035 | |
| 152 | S | A | 0.0000 | |
| 153 | F | A | 1.7459 | |
| 154 | Q | A | -0.6741 | |
| 155 | K | A | -2.1905 | |
| 156 | D | A | -2.4848 | |
| 157 | L | A | 0.0000 | |
| 158 | P | A | 0.0000 | |
| 159 | W | A | 0.0000 | |
| 160 | A | A | -0.8790 | |
| 161 | H | A | -1.2887 | |
| 162 | C | A | -1.0737 | |
| 163 | N | A | -1.6538 | |
| 164 | H | A | -1.1649 | |
| 165 | S | A | -0.7720 | |
| 166 | W | A | -0.7664 | |
| 167 | N | A | -0.9493 | |
| 168 | T | A | -0.5989 | |
| 169 | P | A | -0.5109 | |
| 170 | Q | A | -0.5392 | |
| 171 | C | A | -0.4206 | |
| 172 | M | A | -0.3334 | |
| 173 | E | A | -0.7567 | |
| 174 | D | A | -1.3660 | |
| 175 | T | A | -1.2423 | |
| 176 | L | A | -0.9570 | |
| 177 | R | A | -2.3775 | |
| 178 | R | A | -3.5191 | |
| 179 | N | A | -2.7901 | |
| 180 | E | A | -2.1172 | |
| 181 | S | A | -1.4934 | |
| 182 | H | A | -0.9166 | |
| 183 | W | A | 1.2709 | |
| 184 | V | A | 2.3356 | |
| 185 | S | A | 1.4311 | |
| 186 | L | A | 1.9731 | |
| 187 | S | A | 0.6095 | |
| 188 | T | A | 0.2092 | |
| 189 | A | A | -0.1028 | |
| 190 | N | A | -0.6334 | |
| 191 | F | A | 0.2217 | |
| 192 | T | A | 0.1461 | |
| 193 | S | A | -0.0050 | |
| 194 | P | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | I | A | 0.0749 | |
| 197 | E | A | 0.0000 | |
| 198 | F | A | 0.0000 | |
| 199 | W | A | 0.0000 | |
| 200 | E | A | -1.1420 | |
| 201 | R | A | -1.6402 | |
| 202 | N | A | -0.9622 | |
| 203 | V | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | S | A | -0.9675 | |
| 206 | L | A | -0.8410 | |
| 207 | S | A | -1.1877 | |
| 208 | S | A | -0.9052 | |
| 209 | G | A | 0.0000 | |
| 210 | I | A | 0.0000 | |
| 211 | D | A | -2.4812 | |
| 212 | N | A | -2.5396 | |
| 213 | P | A | -1.6070 | |
| 214 | G | A | -1.3523 | |
| 215 | S | A | -0.3030 | |
| 216 | L | A | 0.5942 | |
| 217 | K | A | 0.3855 | |
| 218 | W | A | 1.1311 | |
| 219 | D | A | 0.1246 | |
| 220 | L | A | 0.0000 | |
| 221 | A | A | 0.0000 | |
| 222 | L | A | 1.2298 | |
| 223 | C | A | 0.0000 | |
| 224 | L | A | 0.0000 | |
| 225 | L | A | 1.5702 | |
| 226 | L | A | 1.5395 | |
| 227 | V | A | 0.0000 | |
| 228 | W | A | 0.0000 | |
| 229 | L | A | 2.0329 | |
| 230 | V | A | 1.9236 | |
| 231 | C | A | 0.0000 | |
| 232 | F | A | 1.8119 | |
| 233 | F | A | 2.5601 | |
| 234 | C | A | 1.1788 | |
| 235 | I | A | 0.0000 | |
| 236 | W | A | 1.2208 | |
| 237 | K | A | 0.0566 | |
| 238 | G | A | 0.0000 | |
| 239 | V | A | 0.0000 | |
| 240 | R | A | -1.6596 | |
| 241 | S | A | -0.6994 | |
| 242 | T | A | 0.0000 | |
| 243 | G | A | 0.0000 | |
| 244 | K | A | -1.0395 | |
| 245 | V | A | 0.3494 | |
| 246 | V | A | 0.0000 | |
| 247 | Y | A | 1.6401 | |
| 248 | F | A | 2.3135 | |
| 249 | T | A | 0.0000 | |
| 250 | A | A | 0.0000 | |
| 251 | T | A | 1.1736 | |
| 252 | F | A | 1.3601 | |
| 253 | P | A | 0.0000 | |
| 254 | F | A | 0.9894 | |
| 255 | A | A | 1.0002 | |
| 256 | M | A | 0.0000 | |
| 257 | L | A | 0.0000 | |
| 258 | L | A | 2.2592 | |
| 259 | V | A | 2.0044 | |
| 260 | L | A | 0.0000 | |
| 261 | L | A | 2.0677 | |
| 262 | V | A | 2.5728 | |
| 263 | R | A | 1.1359 | |
| 264 | G | A | 0.0000 | |
| 265 | L | A | 1.4203 | |
| 266 | T | A | 0.6387 | |
| 267 | L | A | 0.2175 | |
| 268 | P | A | -0.7008 | |
| 269 | G | A | -1.1137 | |
| 270 | A | A | 0.0000 | |
| 271 | G | A | -1.3017 | |
| 272 | E | A | -2.5277 | |
| 273 | G | A | 0.0000 | |
| 274 | I | A | -0.2391 | |
| 275 | K | A | -0.9698 | |
| 276 | F | A | -0.1131 | |
| 277 | Y | A | 0.0000 | |
| 278 | L | A | 0.8457 | |
| 279 | Y | A | 1.2575 | |
| 280 | P | A | 0.5938 | |
| 281 | D | A | -0.0044 | |
| 282 | I | A | 1.3490 | |
| 283 | S | A | -0.0046 | |
| 284 | R | A | -0.6511 | |
| 285 | L | A | 0.0495 | |
| 286 | G | A | -0.5781 | |
| 287 | D | A | -0.9699 | |
| 288 | P | A | -0.9453 | |
| 289 | Q | A | -1.2151 | |
| 290 | V | A | 0.0000 | |
| 291 | W | A | 0.1456 | |
| 292 | I | A | -0.0134 | |
| 293 | D | A | -0.4094 | |
| 294 | A | A | 0.0000 | |
| 295 | G | A | 0.0000 | |
| 296 | T | A | 0.0000 | |
| 297 | Q | A | 0.0000 | |
| 298 | I | A | 0.0000 | |
| 299 | F | A | 0.0000 | |
| 300 | F | A | 0.3363 | |
| 301 | S | A | 0.0000 | |
| 302 | Y | A | 0.0000 | |
| 303 | A | A | 0.0000 | |
| 304 | I | A | 0.0000 | |
| 305 | C | A | 0.0000 | |
| 306 | L | A | 0.0000 | |
| 307 | G | A | 0.0000 | |
| 308 | A | A | 0.0000 | |
| 309 | M | A | 0.0000 | |
| 310 | T | A | 0.0000 | |
| 311 | S | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | G | A | 0.0000 | |
| 314 | S | A | 0.0000 | |
| 315 | Y | A | 0.0000 | |
| 316 | N | A | 0.0000 | |
| 317 | K | A | -2.3962 | |
| 318 | Y | A | -1.3974 | |
| 319 | K | A | -2.1459 | |
| 320 | Y | A | 0.0000 | |
| 321 | N | A | -1.3856 | |
| 322 | S | A | 0.0000 | |
| 323 | Y | A | -0.5172 | |
| 324 | R | A | -1.2506 | |
| 325 | D | A | 0.0000 | |
| 326 | C | A | 0.0000 | |
| 327 | M | A | 0.6467 | |
| 328 | L | A | 1.6266 | |
| 329 | L | A | 0.0000 | |
| 330 | G | A | 0.0000 | |
| 331 | C | A | 1.4721 | |
| 332 | L | A | 1.2447 | |
| 333 | N | A | 0.0000 | |
| 334 | S | A | 0.0000 | |
| 335 | G | A | 0.5839 | |
| 336 | T | A | 0.0000 | |
| 337 | S | A | 0.0000 | |
| 338 | F | A | 1.0393 | |
| 339 | V | A | 1.3326 | |
| 340 | S | A | 0.0000 | |
| 341 | G | A | 0.0000 | |
| 342 | F | A | 1.2364 | |
| 343 | A | A | 0.0000 | |
| 344 | I | A | 0.0000 | |
| 345 | F | A | 0.0000 | |
| 346 | S | A | 0.0000 | |
| 347 | I | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | G | A | 0.0000 | |
| 350 | F | A | 0.0000 | |
| 351 | M | A | 0.0000 | |
| 352 | A | A | 0.0000 | |
| 353 | Q | A | -2.0557 | |
| 354 | E | A | -1.8949 | |
| 355 | Q | A | -1.9031 | |
| 356 | G | A | -1.7642 | |
| 357 | V | A | -1.4689 | |
| 358 | D | A | -2.5114 | |
| 359 | I | A | -1.5792 | |
| 360 | A | A | -1.4387 | |
| 361 | D | A | -2.3966 | |
| 362 | V | A | 0.0000 | |
| 363 | A | A | -1.1969 | |
| 364 | E | A | -1.9748 | |
| 365 | S | A | -1.4210 | |
| 366 | G | A | -0.7538 | |
| 367 | P | A | -0.3804 | |
| 368 | G | A | 0.0000 | |
| 369 | L | A | 0.0000 | |
| 370 | A | A | 0.0000 | |
| 371 | F | A | 0.0000 | |
| 372 | I | A | -0.0749 | |
| 373 | A | A | 0.0000 | |
| 374 | Y | A | 0.0000 | |
| 375 | P | A | 0.0000 | |
| 376 | K | A | -0.1033 | |
| 377 | A | A | 0.0000 | |
| 378 | V | A | 0.0000 | |
| 379 | T | A | -0.1264 | |
| 380 | M | A | 0.0513 | |
| 381 | M | A | 0.0000 | |
| 382 | P | A | 0.6520 | |
| 383 | L | A | 1.3448 | |
| 384 | P | A | 0.4681 | |
| 385 | T | A | 0.5175 | |
| 386 | F | A | 1.6295 | |
| 387 | W | A | 1.1274 | |
| 388 | S | A | 0.0000 | |
| 389 | I | A | 1.5552 | |
| 390 | L | A | 1.0119 | |
| 391 | F | A | 0.0000 | |
| 392 | F | A | 0.0000 | |
| 393 | I | A | 0.8355 | |
| 394 | M | A | 0.0000 | |
| 395 | L | A | 0.0000 | |
| 396 | L | A | 0.4080 | |
| 397 | L | A | 0.0000 | |
| 398 | L | A | 0.0000 | |
| 399 | G | A | 0.0000 | |
| 400 | L | A | 0.0000 | |
| 401 | D | A | 0.0000 | |
| 402 | S | A | 0.0000 | |
| 403 | Q | A | 0.0000 | |
| 404 | F | A | 0.0000 | |
| 405 | V | A | 0.0000 | |
| 406 | E | A | 0.0000 | |
| 407 | V | A | 0.0000 | |
| 408 | E | A | 0.0000 | |
| 409 | G | A | 0.0000 | |
| 410 | Q | A | 0.0000 | |
| 411 | I | A | 0.0000 | |
| 412 | T | A | 0.0000 | |
| 413 | S | A | 0.0000 | |
| 414 | L | A | 0.7569 | |
| 415 | V | A | 0.0000 | |
| 416 | D | A | 0.0000 | |
| 417 | L | A | 1.2587 | |
| 418 | Y | A | 2.0059 | |
| 419 | P | A | 0.9046 | |
| 420 | S | A | 0.5971 | |
| 421 | F | A | 1.6520 | |
| 422 | L | A | 0.0000 | |
| 423 | R | A | -0.3750 | |
| 424 | K | A | -0.9432 | |
| 425 | G | A | -0.5521 | |
| 426 | Y | A | 0.5182 | |
| 427 | R | A | 0.0582 | |
| 428 | R | A | 0.4829 | |
| 429 | E | A | 1.3263 | |
| 430 | I | A | 2.3094 | |
| 431 | F | A | 1.6008 | |
| 432 | I | A | 0.0000 | |
| 433 | A | A | 2.0846 | |
| 434 | I | A | 2.6500 | |
| 435 | L | A | 0.0000 | |
| 436 | C | A | 0.0000 | |
| 437 | S | A | 2.1724 | |
| 438 | I | A | 3.1026 | |
| 439 | S | A | 0.0000 | |
| 440 | Y | A | 2.1073 | |
| 441 | L | A | 2.6909 | |
| 442 | L | A | 1.9577 | |
| 443 | G | A | 0.0000 | |
| 444 | L | A | 1.2678 | |
| 445 | T | A | 0.6405 | |
| 446 | M | A | 0.0000 | |
| 447 | V | A | 0.0000 | |
| 448 | T | A | -0.0805 | |
| 449 | E | A | -1.0377 | |
| 450 | G | A | 0.0000 | |
| 451 | G | A | 0.0000 | |
| 452 | M | A | 0.0000 | |
| 453 | Y | A | 0.0000 | |
| 454 | V | A | 0.0920 | |
| 455 | F | A | 0.0000 | |
| 456 | Q | A | -0.1785 | |
| 457 | L | A | 0.0000 | |
| 458 | F | A | 0.0000 | |
| 459 | D | A | -0.5129 | |
| 460 | Y | A | 0.2860 | |
| 461 | Y | A | 0.0000 | |
| 462 | A | A | 0.0000 | |
| 463 | A | A | 0.0000 | |
| 464 | S | A | 0.0000 | |
| 465 | G | A | 0.2185 | |
| 466 | V | A | 0.9728 | |
| 467 | C | A | 0.0000 | |
| 468 | L | A | 0.0000 | |
| 469 | L | A | 0.0000 | |
| 470 | W | A | 0.6972 | |
| 471 | V | A | 0.0000 | |
| 472 | A | A | 0.0000 | |
| 473 | F | A | 1.2132 | |
| 474 | F | A | 0.7252 | |
| 475 | E | A | 0.0000 | |
| 476 | C | A | 0.0000 | |
| 477 | F | A | 1.4109 | |
| 478 | V | A | 0.0000 | |
| 479 | I | A | 0.0000 | |
| 480 | A | A | 0.6406 | |
| 481 | W | A | 1.3910 | |
| 482 | I | A | 1.2439 | |
| 483 | Y | A | 0.0000 | |
| 484 | G | A | -0.5011 | |
| 485 | G | A | 0.0000 | |
| 486 | D | A | -2.8749 | |
| 487 | N | A | -2.7628 | |
| 488 | L | A | 0.0000 | |
| 489 | Y | A | 0.0000 | |
| 490 | D | A | -3.1668 | |
| 491 | G | A | -2.1106 | |
| 492 | I | A | 0.0000 | |
| 493 | E | A | -2.5865 | |
| 494 | D | A | -2.2906 | |
| 495 | M | A | 0.0000 | |
| 496 | I | A | -1.3417 | |
| 497 | G | A | -1.4725 | |
| 498 | Y | A | -0.9732 | |
| 499 | R | A | -1.8640 | |
| 500 | P | A | 0.0000 | |
| 501 | G | A | -0.4363 | |
| 502 | P | A | -0.1989 | |
| 503 | W | A | 0.7463 | |
| 504 | M | A | 0.0000 | |
| 505 | K | A | -0.0038 | |
| 506 | Y | A | 1.4846 | |
| 507 | S | A | 0.0000 | |
| 508 | W | A | 0.0000 | |
| 509 | A | A | 1.3592 | |
| 510 | V | A | 1.6116 | |
| 511 | I | A | 1.5989 | |
| 512 | T | A | 0.0000 | |
| 513 | P | A | 1.1251 | |
| 514 | A | A | 0.9557 | |
| 515 | L | A | 1.0079 | |
| 516 | C | A | 0.0000 | |
| 517 | V | A | 1.8972 | |
| 518 | G | A | 1.1588 | |
| 519 | C | A | 0.0000 | |
| 520 | F | A | 2.4555 | |
| 521 | V | A | 3.2320 | |
| 522 | F | A | 2.3320 | |
| 523 | S | A | 2.1351 | |
| 524 | L | A | 3.1630 | |
| 525 | V | A | 2.8173 | |
| 526 | K | A | 0.6980 | |
| 527 | Y | A | 2.0700 | |
| 528 | V | A | 2.1058 | |
| 529 | P | A | 0.4099 | |
| 530 | L | A | 0.0000 | |
| 531 | T | A | -0.7313 | |
| 532 | Y | A | -1.0120 | |
| 533 | N | A | -1.8852 | |
| 534 | K | A | -1.7063 | |
| 535 | V | A | 0.2115 | |
| 536 | Y | A | -0.6178 | |
| 537 | R | A | -1.9571 | |
| 538 | Y | A | 0.0000 | |
| 539 | P | A | -1.3071 | |
| 540 | D | A | -1.4969 | |
| 541 | W | A | 0.1054 | |
| 542 | A | A | 0.0000 | |
| 543 | I | A | -0.1005 | |
| 544 | G | A | 0.1006 | |
| 545 | L | A | 0.8859 | |
| 546 | G | A | 0.0000 | |
| 547 | W | A | 1.0272 | |
| 548 | G | A | 0.4480 | |
| 549 | L | A | 0.6566 | |
| 550 | A | A | 0.0000 | |
| 551 | L | A | 0.8113 | |
| 552 | S | A | 0.4671 | |
| 553 | S | A | 0.0000 | |
| 554 | M | A | 0.0000 | |
| 555 | L | A | 1.2172 | |
| 556 | C | A | 1.1189 | |
| 557 | I | A | 0.0000 | |
| 558 | P | A | 1.6530 | |
| 559 | L | A | 2.8267 | |
| 560 | V | A | 2.5854 | |
| 561 | I | A | 2.6497 | |
| 562 | V | A | 3.4213 | |
| 563 | I | A | 3.2862 | |
| 564 | L | A | 1.5938 | |
| 565 | L | A | 1.6282 | |
| 566 | C | A | 1.0899 | |
| 567 | R | A | -1.1095 | |
| 568 | T | A | -0.7664 | |
| 569 | E | A | -2.0585 | |
| 570 | G | A | -1.2332 | |
| 571 | P | A | -0.3221 | |
| 572 | L | A | 0.5433 | |
| 573 | R | A | -0.9416 | |
| 574 | V | A | -0.1535 | |
| 575 | R | A | -0.3045 | |
| 576 | I | A | 0.3662 | |
| 577 | K | A | -0.6608 | |
| 578 | Y | A | 0.7515 | |
| 579 | L | A | 0.0000 | |
| 580 | I | A | 0.3300 | |
| 581 | T | A | -0.1860 | |
| 582 | P | A | -0.9053 | |
| 583 | R | A | -2.1608 | |
| 584 | E | A | -3.1183 | |
| 585 | P | A | -2.3844 | |
| 586 | N | A | -2.5554 | |
| 587 | R | A | -2.8418 | |
| 588 | W | A | -1.7144 | |
| 589 | A | A | -1.7675 | |
| 590 | V | A | -1.6775 | |
| 591 | E | A | -2.9234 | |
| 592 | R | A | -3.1671 | |
| 593 | E | A | -3.0394 | |
| 594 | G | A | -2.1044 | |
| 595 | A | A | -1.2307 | |
| 596 | T | A | -0.4233 | |
| 597 | P | A | 0.3061 | |
| 598 | F | A | 0.9824 | |
| 599 | H | A | -0.4705 | |
| 600 | S | A | -0.5842 | |
| 601 | R | A | -0.8607 | |
| 602 | V | A | 1.1139 | |
| 603 | T | A | 1.1045 | |
| 604 | L | A | 1.7655 | |
| 605 | M | A | 1.3060 | |
| 606 | N | A | -0.5304 | |
| 607 | G | A | -0.1432 | |
| 608 | A | A | 0.5157 | |
| 609 | L | A | 1.4950 | |
| 610 | M | A | 0.8739 | |
| 611 | K | A | -1.0389 | |
| 612 | P | A | -0.8055 | |
| 613 | S | A | -0.4068 | |
| 614 | H | A | 0.2659 | |
| 615 | V | A | 2.4135 | |
| 616 | I | A | 2.9592 | |
| 617 | V | A | 2.2689 | |
| 618 | E | A | 0.0858 | |
| 619 | T | A | 0.4740 | |
| 620 | M | A | 1.3428 | |
| 621 | M | A | 1.3825 |
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 | 0.1761 | 5.2528 | View | CSV | PDB |
| 4.5 | 0.1384 | 5.2501 | View | CSV | PDB |
| 5.0 | 0.0956 | 5.2464 | View | CSV | PDB |
| 5.5 | 0.0574 | 5.2432 | View | CSV | PDB |
| 6.0 | 0.0333 | 5.2429 | View | CSV | PDB |
| 6.5 | 0.0279 | 5.2481 | View | CSV | PDB |
| 7.0 | 0.0381 | 5.259 | View | CSV | PDB |
| 7.5 | 0.0573 | 5.2737 | View | CSV | PDB |
| 8.0 | 0.0815 | 5.2901 | View | CSV | PDB |
| 8.5 | 0.1102 | 5.3071 | View | CSV | PDB |
| 9.0 | 0.1446 | 5.3242 | 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