| Chain sequence(s) |
A: MTKQSADSNAKSGVTAEICHWASNLATDDIPSDVLERAKYLILDGIACAWVGARVPWSEKYVQATMSFEPPGACRVIGYGQKLGPVAAAMTNSAFIQATELDDYHSEAPLHSASIVLPAVFAASEVLAEQGKTISGIDVILAAIVGFESGPRIGKAIYGSDLLNNGWHCGAVYGAPAGALATGKLLGLTPDSMEDALGIACTQACGLMSAQYGGMVKRVQHGFAARNGLLGGLLAYGGYEAMKGVLERSYGGFLKMFTKGNGREPPYKEEEVVAGLGSFWHTFTIRIKLYACCGLVHGPVEAIEKLQRRYPELLNRANLSNIRHVYVQLSTASNSHCGWIPEERPISSIAGQMSVAYILAVQLVDQQCLLAQFSEFDDNLERPEVWDLARKVTPSHSEEFDQDGNCLSAGRVRIEFNDGSSVTETVEKPLGVKEPMPNERILHKYRTLAGSVTDESRVKEIEDLVLSLDRLTDITPLLELLNCPVKSPLV
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max 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 (00:08:42)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/1e5a39a4f44c96c/tmp/folded.pdb (00:08:42)
[INFO] Main: Simulation completed successfully. (00:15:30)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 0.3715 | |
| 2 | T | A | -0.7574 | |
| 3 | K | A | -2.0740 | |
| 4 | Q | A | -2.1362 | |
| 5 | S | A | -1.8063 | |
| 6 | A | A | -1.7328 | |
| 7 | D | A | -2.6334 | |
| 8 | S | A | -2.0011 | |
| 9 | N | A | -2.6485 | |
| 10 | A | A | -2.0967 | |
| 11 | K | A | -2.6986 | |
| 12 | S | A | -1.9077 | |
| 13 | G | A | -1.8040 | |
| 14 | V | A | -1.5248 | |
| 15 | T | A | 0.0000 | |
| 16 | A | A | 0.0000 | |
| 17 | E | A | -2.2106 | |
| 18 | I | A | 0.0000 | |
| 19 | C | A | 0.0000 | |
| 20 | H | A | -1.7890 | |
| 21 | W | A | -1.0953 | |
| 22 | A | A | 0.0000 | |
| 23 | S | A | -1.3367 | |
| 24 | N | A | -1.7257 | |
| 25 | L | A | 0.0000 | |
| 26 | A | A | -1.4915 | |
| 27 | T | A | -1.5222 | |
| 28 | D | A | -2.7034 | |
| 29 | D | A | -2.9510 | |
| 30 | I | A | 0.0000 | |
| 31 | P | A | -1.6752 | |
| 32 | S | A | -1.7976 | |
| 33 | D | A | -2.1477 | |
| 34 | V | A | 0.0000 | |
| 35 | L | A | -0.9788 | |
| 36 | E | A | -1.8604 | |
| 37 | R | A | 0.0000 | |
| 38 | A | A | 0.0000 | |
| 39 | K | A | 0.0000 | |
| 40 | Y | A | -0.5207 | |
| 41 | L | A | 0.0000 | |
| 42 | I | A | 0.0000 | |
| 43 | L | A | 0.0000 | |
| 44 | D | A | 0.0000 | |
| 45 | G | A | 0.0000 | |
| 46 | I | A | 0.0000 | |
| 47 | A | A | 0.0000 | |
| 48 | C | A | 0.0000 | |
| 49 | A | A | 0.0000 | |
| 50 | W | A | 0.0000 | |
| 51 | V | A | 0.0000 | |
| 52 | G | A | 0.0000 | |
| 53 | A | A | 0.0000 | |
| 54 | R | A | -0.9415 | |
| 55 | V | A | 0.0000 | |
| 56 | P | A | -0.7125 | |
| 57 | W | A | 0.0000 | |
| 58 | S | A | 0.0000 | |
| 59 | E | A | -1.8170 | |
| 60 | K | A | -2.3241 | |
| 61 | Y | A | -1.0230 | |
| 62 | V | A | 0.0000 | |
| 63 | Q | A | -1.5865 | |
| 64 | A | A | -0.7057 | |
| 65 | T | A | 0.0000 | |
| 66 | M | A | -0.1233 | |
| 67 | S | A | 0.3463 | |
| 68 | F | A | 1.3867 | |
| 69 | E | A | 0.1377 | |
| 70 | P | A | -0.4090 | |
| 71 | P | A | -0.8492 | |
| 72 | G | A | -0.9679 | |
| 73 | A | A | -0.9566 | |
| 74 | C | A | 0.0000 | |
| 75 | R | A | -1.3170 | |
| 76 | V | A | 0.0000 | |
| 77 | I | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | Y | A | -0.8422 | |
| 80 | G | A | -1.0673 | |
| 81 | Q | A | -1.6111 | |
| 82 | K | A | -1.8743 | |
| 83 | L | A | 0.0000 | |
| 84 | G | A | -0.5563 | |
| 85 | P | A | -0.0207 | |
| 86 | V | A | 0.3672 | |
| 87 | A | A | 0.0000 | |
| 88 | A | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | M | A | 0.2448 | |
| 91 | T | A | 0.0000 | |
| 92 | N | A | 0.0000 | |
| 93 | S | A | 0.0000 | |
| 94 | A | A | 0.0000 | |
| 95 | F | A | 0.0000 | |
| 96 | I | A | 0.0000 | |
| 97 | Q | A | 0.0000 | |
| 98 | A | A | 0.0000 | |
| 99 | T | A | 0.0000 | |
| 100 | E | A | 0.0000 | |
| 101 | L | A | 0.0000 | |
| 102 | D | A | 0.0000 | |
| 103 | D | A | 0.0000 | |
| 104 | Y | A | 0.0000 | |
| 105 | H | A | 0.0000 | |
| 106 | S | A | -0.7876 | |
| 107 | E | A | -1.8444 | |
| 108 | A | A | 0.0000 | |
| 109 | P | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | H | A | -0.1006 | |
| 112 | S | A | 0.0000 | |
| 113 | A | A | 0.0000 | |
| 114 | S | A | 0.0000 | |
| 115 | I | A | 0.0000 | |
| 116 | V | A | 0.0000 | |
| 117 | L | A | 0.0000 | |
| 118 | P | A | 0.0000 | |
| 119 | A | A | 0.0000 | |
| 120 | V | A | 0.0000 | |
| 121 | F | A | 0.0000 | |
| 122 | A | A | 0.0000 | |
| 123 | A | A | 0.0000 | |
| 124 | S | A | 0.0000 | |
| 125 | E | A | 0.0000 | |
| 126 | V | A | -0.8237 | |
| 127 | L | A | 0.0000 | |
| 128 | A | A | -1.8380 | |
| 129 | E | A | -2.6648 | |
| 130 | Q | A | -2.5612 | |
| 131 | G | A | -2.1306 | |
| 132 | K | A | -2.1163 | |
| 133 | T | A | -1.3856 | |
| 134 | I | A | 0.0000 | |
| 135 | S | A | -0.9181 | |
| 136 | G | A | 0.0000 | |
| 137 | I | A | -0.5284 | |
| 138 | D | A | -0.7922 | |
| 139 | V | A | 0.0000 | |
| 140 | I | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | A | A | 0.0000 | |
| 143 | A | A | 0.0000 | |
| 144 | I | A | 0.0000 | |
| 145 | V | A | 0.0000 | |
| 146 | G | A | 0.0000 | |
| 147 | F | A | 0.0000 | |
| 148 | E | A | 0.0000 | |
| 149 | S | A | 0.0000 | |
| 150 | G | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | R | A | 0.0000 | |
| 153 | I | A | 0.0000 | |
| 154 | G | A | 0.0000 | |
| 155 | K | A | -1.2480 | |
| 156 | A | A | 0.0000 | |
| 157 | I | A | 0.0000 | |
| 158 | Y | A | -0.6226 | |
| 159 | G | A | 0.0000 | |
| 160 | S | A | -0.7928 | |
| 161 | D | A | -1.0942 | |
| 162 | L | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | N | A | -1.8769 | |
| 165 | N | A | -1.6809 | |
| 166 | G | A | -0.5324 | |
| 167 | W | A | 0.3079 | |
| 168 | H | A | 0.0000 | |
| 169 | C | A | 0.0000 | |
| 170 | G | A | 0.0000 | |
| 171 | A | A | 0.0000 | |
| 172 | V | A | 0.0000 | |
| 173 | Y | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | A | A | 0.0000 | |
| 176 | P | A | 0.0000 | |
| 177 | A | A | 0.0000 | |
| 178 | G | A | 0.0000 | |
| 179 | A | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | A | A | 0.0000 | |
| 182 | T | A | 0.0000 | |
| 183 | G | A | 0.0000 | |
| 184 | K | A | -0.7107 | |
| 185 | L | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | G | A | -0.7490 | |
| 188 | L | A | 0.0000 | |
| 189 | T | A | -0.8393 | |
| 190 | P | A | -1.3741 | |
| 191 | D | A | -1.6658 | |
| 192 | S | A | -0.7988 | |
| 193 | M | A | 0.0000 | |
| 194 | E | A | 0.0000 | |
| 195 | D | A | 0.0000 | |
| 196 | A | A | 0.0000 | |
| 197 | L | A | 0.0000 | |
| 198 | G | A | 0.0000 | |
| 199 | I | A | 0.0000 | |
| 200 | A | A | 0.0000 | |
| 201 | C | A | 0.0000 | |
| 202 | T | A | -0.1427 | |
| 203 | Q | A | -0.1649 | |
| 204 | A | A | 0.0621 | |
| 205 | C | A | 0.6682 | |
| 206 | G | A | 0.0000 | |
| 207 | L | A | 1.6346 | |
| 208 | M | A | 0.0000 | |
| 209 | S | A | 0.7231 | |
| 210 | A | A | 0.0000 | |
| 211 | Q | A | 0.0000 | |
| 212 | Y | A | 1.1731 | |
| 213 | G | A | 0.5741 | |
| 214 | G | A | 0.6128 | |
| 215 | M | A | 0.6818 | |
| 216 | V | A | 1.3141 | |
| 217 | K | A | 0.0000 | |
| 218 | R | A | 0.0000 | |
| 219 | V | A | 0.0000 | |
| 220 | Q | A | 0.0000 | |
| 221 | H | A | 0.0000 | |
| 222 | G | A | 0.0000 | |
| 223 | F | A | 0.3097 | |
| 224 | A | A | 0.0000 | |
| 225 | A | A | 0.0000 | |
| 226 | R | A | 0.0019 | |
| 227 | N | A | 0.0000 | |
| 228 | G | A | 0.0000 | |
| 229 | L | A | 0.0000 | |
| 230 | L | A | 0.6247 | |
| 231 | G | A | 0.0000 | |
| 232 | G | A | 0.0000 | |
| 233 | L | A | 0.8621 | |
| 234 | L | A | 0.7683 | |
| 235 | A | A | 0.0000 | |
| 236 | Y | A | 0.3365 | |
| 237 | G | A | -0.0837 | |
| 238 | G | A | -0.2801 | |
| 239 | Y | A | 0.2669 | |
| 240 | E | A | -1.3257 | |
| 241 | A | A | -0.5095 | |
| 242 | M | A | -0.0325 | |
| 243 | K | A | -0.9827 | |
| 244 | G | A | -1.2303 | |
| 245 | V | A | 0.0000 | |
| 246 | L | A | 0.0000 | |
| 247 | E | A | -1.3305 | |
| 248 | R | A | -0.9703 | |
| 249 | S | A | -0.6195 | |
| 250 | Y | A | 0.4884 | |
| 251 | G | A | -0.2237 | |
| 252 | G | A | 0.0000 | |
| 253 | F | A | 0.0000 | |
| 254 | L | A | 0.0000 | |
| 255 | K | A | -1.7275 | |
| 256 | M | A | -0.7475 | |
| 257 | F | A | 0.0000 | |
| 258 | T | A | 0.0000 | |
| 259 | K | A | -2.4830 | |
| 260 | G | A | -1.9690 | |
| 261 | N | A | -2.1949 | |
| 262 | G | A | -2.0874 | |
| 263 | R | A | -2.8699 | |
| 264 | E | A | -2.7599 | |
| 265 | P | A | -2.0061 | |
| 266 | P | A | -2.2517 | |
| 267 | Y | A | -1.8555 | |
| 268 | K | A | -2.3329 | |
| 269 | E | A | -2.5636 | |
| 270 | E | A | -2.7268 | |
| 271 | E | A | -1.7954 | |
| 272 | V | A | 0.0000 | |
| 273 | V | A | -0.9554 | |
| 274 | A | A | -0.6670 | |
| 275 | G | A | -0.1645 | |
| 276 | L | A | 0.0407 | |
| 277 | G | A | -0.4673 | |
| 278 | S | A | -0.0510 | |
| 279 | F | A | 1.0623 | |
| 280 | W | A | 0.0000 | |
| 281 | H | A | 0.0000 | |
| 282 | T | A | 0.0000 | |
| 283 | F | A | 0.2749 | |
| 284 | T | A | -0.3018 | |
| 285 | I | A | 0.0000 | |
| 286 | R | A | 0.0000 | |
| 287 | I | A | 0.0000 | |
| 288 | K | A | 0.0000 | |
| 289 | L | A | 0.5292 | |
| 290 | Y | A | 0.4233 | |
| 291 | A | A | 0.0000 | |
| 292 | C | A | 0.0000 | |
| 293 | C | A | 0.0000 | |
| 294 | G | A | 0.0000 | |
| 295 | L | A | 0.0000 | |
| 296 | V | A | 0.0000 | |
| 297 | H | A | 0.0000 | |
| 298 | G | A | 0.0000 | |
| 299 | P | A | 0.0000 | |
| 300 | V | A | 0.0000 | |
| 301 | E | A | -0.4102 | |
| 302 | A | A | 0.0000 | |
| 303 | I | A | 0.0000 | |
| 304 | E | A | -1.7678 | |
| 305 | K | A | -2.0536 | |
| 306 | L | A | 0.0000 | |
| 307 | Q | A | 0.0000 | |
| 308 | R | A | -3.2153 | |
| 309 | R | A | -2.8804 | |
| 310 | Y | A | -1.6717 | |
| 311 | P | A | -2.2708 | |
| 312 | E | A | -2.4971 | |
| 313 | L | A | -1.1805 | |
| 314 | L | A | 0.0000 | |
| 315 | N | A | -2.3179 | |
| 316 | R | A | -2.7825 | |
| 317 | A | A | -1.5110 | |
| 318 | N | A | -1.6633 | |
| 319 | L | A | 0.0000 | |
| 320 | S | A | -1.8982 | |
| 321 | N | A | -1.9056 | |
| 322 | I | A | 0.0000 | |
| 323 | R | A | -2.9409 | |
| 324 | H | A | -1.7301 | |
| 325 | V | A | 0.0000 | |
| 326 | Y | A | -0.1892 | |
| 327 | V | A | 0.0000 | |
| 328 | Q | A | -1.1658 | |
| 329 | L | A | 0.0000 | |
| 330 | S | A | 0.0000 | |
| 331 | T | A | -1.3411 | |
| 332 | A | A | 0.0000 | |
| 333 | S | A | 0.0000 | |
| 334 | N | A | -0.7698 | |
| 335 | S | A | -0.8879 | |
| 336 | H | A | 0.0000 | |
| 337 | C | A | 0.0000 | |
| 338 | G | A | -0.2204 | |
| 339 | W | A | 0.2477 | |
| 340 | I | A | -0.3447 | |
| 341 | P | A | 0.0000 | |
| 342 | E | A | -3.0521 | |
| 343 | E | A | -3.3027 | |
| 344 | R | A | -2.9093 | |
| 345 | P | A | -2.4807 | |
| 346 | I | A | 0.0000 | |
| 347 | S | A | -0.7702 | |
| 348 | S | A | 0.0000 | |
| 349 | I | A | 0.0000 | |
| 350 | A | A | 0.0000 | |
| 351 | G | A | 0.0000 | |
| 352 | Q | A | 0.0000 | |
| 353 | M | A | 0.0000 | |
| 354 | S | A | 0.0000 | |
| 355 | V | A | 0.0000 | |
| 356 | A | A | 0.0000 | |
| 357 | Y | A | 0.0000 | |
| 358 | I | A | 0.0000 | |
| 359 | L | A | 0.0000 | |
| 360 | A | A | 0.0000 | |
| 361 | V | A | 0.0000 | |
| 362 | Q | A | 0.0000 | |
| 363 | L | A | 0.0000 | |
| 364 | V | A | 0.0000 | |
| 365 | D | A | -1.1752 | |
| 366 | Q | A | -1.5937 | |
| 367 | Q | A | -1.0754 | |
| 368 | C | A | 0.0000 | |
| 369 | L | A | 0.3709 | |
| 370 | L | A | 0.0000 | |
| 371 | A | A | -0.0498 | |
| 372 | Q | A | -0.3028 | |
| 373 | F | A | 0.0000 | |
| 374 | S | A | 0.0000 | |
| 375 | E | A | -2.2717 | |
| 376 | F | A | -1.3395 | |
| 377 | D | A | -2.8487 | |
| 378 | D | A | -3.2732 | |
| 379 | N | A | -2.2781 | |
| 380 | L | A | 0.0000 | |
| 381 | E | A | -2.5000 | |
| 382 | R | A | -2.2669 | |
| 383 | P | A | -2.0981 | |
| 384 | E | A | -2.7601 | |
| 385 | V | A | 0.0000 | |
| 386 | W | A | 0.0000 | |
| 387 | D | A | -2.7519 | |
| 388 | L | A | 0.0000 | |
| 389 | A | A | 0.0000 | |
| 390 | R | A | -2.4362 | |
| 391 | K | A | -1.8088 | |
| 392 | V | A | 0.0000 | |
| 393 | T | A | -0.2686 | |
| 394 | P | A | -0.2259 | |
| 395 | S | A | -0.6267 | |
| 396 | H | A | -1.5871 | |
| 397 | S | A | 0.0000 | |
| 398 | E | A | -3.0936 | |
| 399 | E | A | -3.0131 | |
| 400 | F | A | 0.0000 | |
| 401 | D | A | -3.3010 | |
| 402 | Q | A | -3.5156 | |
| 403 | D | A | -3.1128 | |
| 404 | G | A | -2.1890 | |
| 405 | N | A | -2.4779 | |
| 406 | C | A | 0.0000 | |
| 407 | L | A | -0.8688 | |
| 408 | S | A | 0.0000 | |
| 409 | A | A | 0.0000 | |
| 410 | G | A | 0.0000 | |
| 411 | R | A | -1.0165 | |
| 412 | V | A | 0.0000 | |
| 413 | R | A | -0.7931 | |
| 414 | I | A | 0.0000 | |
| 415 | E | A | 0.0000 | |
| 416 | F | A | 0.0000 | |
| 417 | N | A | -3.1505 | |
| 418 | D | A | -3.0055 | |
| 419 | G | A | -2.0881 | |
| 420 | S | A | -1.3782 | |
| 421 | S | A | -1.0603 | |
| 422 | V | A | 0.0000 | |
| 423 | T | A | -0.5713 | |
| 424 | E | A | -0.8782 | |
| 425 | T | A | -0.9944 | |
| 426 | V | A | 0.0000 | |
| 427 | E | A | -1.9350 | |
| 428 | K | A | -1.3296 | |
| 429 | P | A | 0.0000 | |
| 430 | L | A | 0.6500 | |
| 431 | G | A | -0.2995 | |
| 432 | V | A | -1.0704 | |
| 433 | K | A | -2.3810 | |
| 434 | E | A | -2.3313 | |
| 435 | P | A | -1.0291 | |
| 436 | M | A | 0.0000 | |
| 437 | P | A | -1.6797 | |
| 438 | N | A | -1.9800 | |
| 439 | E | A | -3.0449 | |
| 440 | R | A | -3.2039 | |
| 441 | I | A | 0.0000 | |
| 442 | L | A | -1.9109 | |
| 443 | H | A | -2.5042 | |
| 444 | K | A | -1.6098 | |
| 445 | Y | A | 0.0000 | |
| 446 | R | A | -2.1786 | |
| 447 | T | A | -0.9483 | |
| 448 | L | A | -0.5482 | |
| 449 | A | A | 0.0000 | |
| 450 | G | A | -1.8543 | |
| 451 | S | A | -1.1660 | |
| 452 | V | A | 0.0000 | |
| 453 | T | A | -1.6519 | |
| 454 | D | A | -2.5045 | |
| 455 | E | A | -3.4645 | |
| 456 | S | A | -2.5749 | |
| 457 | R | A | -2.5884 | |
| 458 | V | A | 0.0000 | |
| 459 | K | A | -3.7620 | |
| 460 | E | A | -3.2899 | |
| 461 | I | A | 0.0000 | |
| 462 | E | A | -2.0962 | |
| 463 | D | A | -2.6588 | |
| 464 | L | A | -1.4947 | |
| 465 | V | A | 0.0000 | |
| 466 | L | A | -0.7071 | |
| 467 | S | A | -1.1045 | |
| 468 | L | A | 0.0000 | |
| 469 | D | A | -1.2218 | |
| 470 | R | A | -1.8965 | |
| 471 | L | A | -1.0243 | |
| 472 | T | A | -0.8924 | |
| 473 | D | A | -1.1623 | |
| 474 | I | A | 0.0000 | |
| 475 | T | A | -0.7292 | |
| 476 | P | A | -0.9379 | |
| 477 | L | A | 0.0000 | |
| 478 | L | A | 0.0000 | |
| 479 | E | A | -1.6437 | |
| 480 | L | A | -0.9104 | |
| 481 | L | A | 0.0000 | |
| 482 | N | A | -1.0328 | |
| 483 | C | A | -0.4785 | |
| 484 | P | A | -0.6936 | |
| 485 | V | A | 0.0000 | |
| 486 | K | A | -1.5489 | |
| 487 | S | A | -0.5150 | |
| 488 | P | A | -0.0153 | |
| 489 | L | A | 0.6265 | |
| 490 | V | A | 1.6117 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.473 | 4.3059 | View | CSV | PDB |
| 4.5 | -0.5348 | 4.2754 | View | CSV | PDB |
| 5.0 | -0.6111 | 4.221 | View | CSV | PDB |
| 5.5 | -0.69 | 4.1485 | View | CSV | PDB |
| 6.0 | -0.7596 | 4.0701 | View | CSV | PDB |
| 6.5 | -0.8099 | 3.9978 | View | CSV | PDB |
| 7.0 | -0.838 | 3.9438 | View | CSV | PDB |
| 7.5 | -0.8492 | 3.9138 | View | CSV | PDB |
| 8.0 | -0.8498 | 3.9012 | View | CSV | PDB |
| 8.5 | -0.8426 | 3.8968 | View | CSV | PDB |
| 9.0 | -0.8276 | 3.8953 | 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