| Chain sequence(s) |
A: SFHISSGKDISLEEIARAARDHQPVTLHDEVVNRVTRSRSILESMVSDERVIYGVNTSMGGFVNYIVPIAKASELQNNLINAVATNVGKYFDDTTVRATMLARIVSLSRGNSAISIVNFKKLIEIYNQGIVPCIPEEKGSLGDLGPLAAIALVCTGQWKARYQGEQMSGAMALEKAGISPMELSFKEGLALINGTSAMVGLGVLLYDEVKRLFDTYLTVTSLSIEGLHGKTKPFEPAVHRRMKPHQGQLEVATTIWETLADSSLAVNEHEVEKLIAEEMDGLVKASNHQIEDAYSIRCTPQILGPVADTLKNIKQTLTNELNSSNDNPLIDQTTEEVFHNGHFHGQYVSMAMDHLNIALVTMMNLANRRIDRFMDKSNSNGLPPFLCAENAGLRLGLMGGQFMTASITAESRASCMPMSIQSLSTTGDFQDIVSFGLVAARRVREQLKNLKYVFSFELLCACQAVDIRGTAGLSKRTRALYDKTRTLVPYLEEDKTISDYIESIAQTVLTKNSDI
B: SFHISSGKDISLEEIARAARDHQPVTLHDEVVNRVTRSRSILESSMVSDERVIYGVNTSMGGFVNYIVPIAKASELQNNLINAVATNVGKYFDDTTVRATMLARIVSLSRGNSAISIVNFKKLIEIYNQGIVPCIPEKGSLGDLGPLAAIALVCTGQWKARYQGEQMSGAMALEKAGISPMELSFKEGLALINGTSAMVGLGVLLYDEVKRLFDTYLTVTSLSIEGLHGKTKPFEEPAVHRRMKPHQGQLEVATTIWETLADSSLAVNEHEVEKLIAEEMDGLVKASNHQIEDAYSIRCTPQILGPVADTLKNIKQTLTNELNSSNDNPLIDQTTEEVFHNGHFHGQYVSMAMDHLNIALVTMMNLANRRIDRFMDKSNSNGLPPFLCAENAGLRLGLMGGQFMTASITAESRASCMPMSIQSLSTTGDFQDIVSFGLVAARRVREQLKNLKYVFSFELLCACQAVDIRGTAGLSKRTRALYDKTRTLVPYLEEDKTISDYIESIAQTVLTKNSDI input PDB |
| Selected Chain(s) | A,B |
| 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 all 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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:13:16)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/47b2fdd155f5b48/tmp/folded.pdb (00:13:16)
[INFO] Main: Simulation completed successfully. (00:17:22)
|
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 |
|---|---|---|---|---|
| 26 | S | A | -0.8201 | |
| 27 | F | A | 0.0000 | |
| 28 | H | A | -1.1877 | |
| 29 | I | A | 0.0000 | |
| 30 | S | A | -1.9633 | |
| 31 | S | A | -2.3806 | |
| 32 | G | A | -2.2160 | |
| 33 | K | A | -2.9470 | |
| 34 | D | A | -2.9940 | |
| 35 | I | A | 0.0000 | |
| 36 | S | A | -1.4360 | |
| 37 | L | A | 0.0000 | |
| 38 | E | A | -1.3943 | |
| 39 | E | A | -1.6551 | |
| 40 | I | A | 0.0000 | |
| 41 | A | A | 0.0000 | |
| 42 | R | A | -2.7033 | |
| 43 | A | A | 0.0000 | |
| 44 | A | A | 0.0000 | |
| 45 | R | A | -2.3575 | |
| 46 | D | A | -2.6726 | |
| 47 | H | A | -1.9776 | |
| 48 | Q | A | -1.7814 | |
| 49 | P | A | -1.2970 | |
| 50 | V | A | 0.0000 | |
| 51 | T | A | -0.7981 | |
| 52 | L | A | -0.9061 | |
| 53 | H | A | -1.6813 | |
| 54 | D | A | -2.8954 | |
| 55 | E | A | -3.1957 | |
| 56 | V | A | 0.0000 | |
| 57 | V | A | -1.7267 | |
| 58 | N | A | -2.4347 | |
| 59 | R | A | -2.8358 | |
| 60 | V | A | 0.0000 | |
| 61 | T | A | -1.0374 | |
| 62 | R | A | -2.0749 | |
| 63 | S | A | 0.0000 | |
| 64 | R | A | 0.0000 | |
| 65 | S | A | -1.1470 | |
| 66 | I | A | -1.3670 | |
| 67 | L | A | 0.0000 | |
| 68 | E | A | -1.9651 | |
| 69 | S | A | -1.8523 | |
| 70 | M | A | 0.0000 | |
| 71 | V | A | -1.5209 | |
| 72 | S | A | -2.1638 | |
| 73 | D | A | -3.0798 | |
| 74 | E | A | -2.9926 | |
| 75 | R | A | -1.9024 | |
| 76 | V | A | 0.8203 | |
| 77 | I | A | 0.0000 | |
| 78 | Y | A | 0.6782 | |
| 79 | G | A | 0.0000 | |
| 80 | V | A | 0.0000 | |
| 81 | N | A | 0.7210 | |
| 82 | T | A | 0.0000 | |
| 83 | S | A | 0.0000 | |
| 84 | M | A | 0.0000 | |
| 85 | G | A | -0.0312 | |
| 86 | G | A | -0.2079 | |
| 87 | F | A | 0.0000 | |
| 88 | V | A | 0.7649 | |
| 89 | N | A | -0.0963 | |
| 90 | Y | A | 1.3346 | |
| 91 | I | A | 2.4620 | |
| 92 | V | A | 0.0000 | |
| 93 | P | A | 0.4386 | |
| 94 | I | A | 0.3443 | |
| 95 | A | A | -0.4078 | |
| 96 | K | A | -1.3307 | |
| 97 | A | A | 0.0000 | |
| 98 | S | A | -1.6431 | |
| 99 | E | A | -2.2543 | |
| 100 | L | A | 0.0000 | |
| 101 | Q | A | 0.0000 | |
| 102 | N | A | -1.5887 | |
| 103 | N | A | -1.3667 | |
| 104 | L | A | 0.0000 | |
| 105 | I | A | 0.0000 | |
| 106 | N | A | 0.0000 | |
| 107 | A | A | 0.0000 | |
| 108 | V | A | 0.0000 | |
| 109 | A | A | 0.0000 | |
| 110 | T | A | 0.0000 | |
| 111 | N | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | G | A | -1.1517 | |
| 114 | K | A | -1.6735 | |
| 115 | Y | A | -0.6665 | |
| 116 | F | A | 0.0000 | |
| 117 | D | A | -0.9607 | |
| 118 | D | A | -0.9815 | |
| 119 | T | A | 0.0000 | |
| 120 | T | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | R | A | -0.7767 | |
| 123 | A | A | 0.0000 | |
| 124 | T | A | 0.0000 | |
| 125 | M | A | 0.0000 | |
| 126 | L | A | 0.0000 | |
| 127 | A | A | 0.0000 | |
| 128 | R | A | 0.0000 | |
| 129 | I | A | 0.0000 | |
| 130 | V | A | 0.0000 | |
| 131 | S | A | 0.0000 | |
| 132 | L | A | 0.0000 | |
| 133 | S | A | 0.0000 | |
| 134 | R | A | -1.4977 | |
| 135 | G | A | 0.0000 | |
| 136 | N | A | -1.0757 | |
| 137 | S | A | 0.0000 | |
| 138 | A | A | 0.0000 | |
| 139 | I | A | 0.0000 | |
| 140 | S | A | 0.3743 | |
| 141 | I | A | 0.5644 | |
| 142 | V | A | 1.3152 | |
| 143 | N | A | 0.0000 | |
| 144 | F | A | 0.0000 | |
| 145 | K | A | -0.8074 | |
| 146 | K | A | -0.9236 | |
| 147 | L | A | 0.0000 | |
| 148 | I | A | 0.0000 | |
| 149 | E | A | -2.4129 | |
| 150 | I | A | 0.0000 | |
| 151 | Y | A | 0.0000 | |
| 152 | N | A | -1.5567 | |
| 153 | Q | A | -1.9093 | |
| 154 | G | A | -1.3472 | |
| 155 | I | A | 0.0000 | |
| 156 | V | A | 0.0000 | |
| 157 | P | A | 0.0000 | |
| 158 | C | A | 0.0000 | |
| 159 | I | A | 0.0000 | |
| 160 | P | A | 0.0000 | |
| 161 | E | A | -0.7623 | |
| 162 | K | A | -0.6499 | |
| 163 | G | A | 0.0000 | |
| 164 | S | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | G | A | -0.0815 | |
| 170 | D | A | 0.0000 | |
| 171 | L | A | 0.3137 | |
| 172 | G | A | 0.0000 | |
| 173 | P | A | 0.0000 | |
| 174 | L | A | 0.0000 | |
| 175 | A | A | 0.0000 | |
| 176 | A | A | 0.0000 | |
| 177 | I | A | 0.0000 | |
| 178 | A | A | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | V | A | 0.0000 | |
| 181 | C | A | 0.0000 | |
| 182 | T | A | -0.7544 | |
| 183 | G | A | -0.7331 | |
| 184 | Q | A | -0.4293 | |
| 185 | W | A | -0.3992 | |
| 186 | K | A | -0.7264 | |
| 187 | A | A | 0.0000 | |
| 188 | R | A | -1.9407 | |
| 189 | Y | A | 0.0000 | |
| 190 | Q | A | -2.5007 | |
| 191 | G | A | -2.2470 | |
| 192 | E | A | -3.0116 | |
| 193 | Q | A | -2.3636 | |
| 194 | M | A | 0.0000 | |
| 195 | S | A | -0.6115 | |
| 196 | G | A | 0.0000 | |
| 197 | A | A | -0.7194 | |
| 198 | M | A | -0.8572 | |
| 199 | A | A | 0.0000 | |
| 200 | L | A | 0.0000 | |
| 201 | E | A | -2.6945 | |
| 202 | K | A | -2.8072 | |
| 203 | A | A | 0.0000 | |
| 204 | G | A | -1.9438 | |
| 205 | I | A | 0.0000 | |
| 206 | S | A | -1.0361 | |
| 207 | P | A | -1.0932 | |
| 208 | M | A | 0.0000 | |
| 209 | E | A | -1.7722 | |
| 210 | L | A | 0.0000 | |
| 211 | S | A | -0.8152 | |
| 212 | F | A | -0.2322 | |
| 213 | K | A | 0.0000 | |
| 214 | E | A | 0.0000 | |
| 215 | G | A | 0.0000 | |
| 216 | L | A | 0.0000 | |
| 217 | A | A | 0.0000 | |
| 218 | L | A | 0.0000 | |
| 219 | I | A | 0.0000 | |
| 220 | N | A | 0.0000 | |
| 221 | G | A | 0.0000 | |
| 222 | T | A | 0.0000 | |
| 223 | S | A | 0.0000 | |
| 224 | A | A | 0.0000 | |
| 225 | M | A | 0.0000 | |
| 226 | V | A | 0.0000 | |
| 227 | G | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | G | A | 0.0000 | |
| 230 | V | A | 0.0000 | |
| 231 | L | A | 0.0000 | |
| 232 | L | A | 0.0000 | |
| 233 | Y | A | 0.0000 | |
| 234 | D | A | 0.0000 | |
| 235 | E | A | 0.0000 | |
| 236 | V | A | 0.0000 | |
| 237 | K | A | -1.6906 | |
| 238 | R | A | -2.0719 | |
| 239 | L | A | 0.0000 | |
| 240 | F | A | 0.0000 | |
| 241 | D | A | -2.2458 | |
| 242 | T | A | -1.1810 | |
| 243 | Y | A | 0.0000 | |
| 244 | L | A | 0.0000 | |
| 245 | T | A | 0.0000 | |
| 246 | V | A | 0.0000 | |
| 247 | T | A | 0.0000 | |
| 248 | S | A | 0.0000 | |
| 249 | L | A | 0.0000 | |
| 250 | S | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | E | A | 0.0000 | |
| 253 | G | A | 0.0000 | |
| 254 | L | A | 0.0000 | |
| 255 | H | A | -0.7204 | |
| 256 | G | A | 0.0000 | |
| 257 | K | A | 0.0000 | |
| 258 | T | A | -1.0774 | |
| 259 | K | A | -1.4497 | |
| 260 | P | A | -0.7711 | |
| 261 | F | A | 0.0000 | |
| 262 | E | A | -0.9257 | |
| 263 | P | A | -0.7768 | |
| 264 | A | A | -0.0732 | |
| 265 | V | A | 0.3243 | |
| 266 | H | A | 0.0000 | |
| 267 | R | A | -1.9708 | |
| 268 | M | A | -0.4782 | |
| 269 | K | A | -2.3296 | |
| 270 | P | A | -2.0971 | |
| 271 | H | A | -2.8361 | |
| 272 | Q | A | -2.7583 | |
| 273 | G | A | 0.0000 | |
| 274 | Q | A | 0.0000 | |
| 275 | L | A | -1.9784 | |
| 276 | E | A | -2.0082 | |
| 277 | V | A | 0.0000 | |
| 278 | A | A | 0.0000 | |
| 279 | T | A | -1.0903 | |
| 280 | T | A | -1.2300 | |
| 281 | I | A | 0.0000 | |
| 282 | W | A | -1.1952 | |
| 283 | E | A | -2.1401 | |
| 284 | T | A | 0.0000 | |
| 285 | L | A | 0.0000 | |
| 286 | A | A | -1.3780 | |
| 287 | D | A | -2.1770 | |
| 288 | S | A | -1.6234 | |
| 289 | S | A | -0.7262 | |
| 290 | L | A | 0.0000 | |
| 291 | A | A | -0.6160 | |
| 292 | V | A | -1.1249 | |
| 293 | N | A | -2.5584 | |
| 294 | E | A | -2.7907 | |
| 295 | H | A | -2.8633 | |
| 296 | E | A | -3.3098 | |
| 297 | V | A | 0.0000 | |
| 298 | E | A | -3.2325 | |
| 299 | K | A | -3.2001 | |
| 300 | L | A | -1.9485 | |
| 301 | I | A | -1.5894 | |
| 302 | A | A | -1.7610 | |
| 303 | E | A | -2.4496 | |
| 304 | E | A | -1.6591 | |
| 305 | M | A | -0.3741 | |
| 306 | D | A | -1.4137 | |
| 307 | G | A | -0.1626 | |
| 308 | L | A | 1.4192 | |
| 309 | V | A | 1.6919 | |
| 310 | K | A | -0.2031 | |
| 311 | A | A | -0.6616 | |
| 312 | S | A | -1.1188 | |
| 313 | N | A | -1.8453 | |
| 314 | H | A | -1.8309 | |
| 315 | Q | A | -1.6866 | |
| 316 | I | A | -0.8449 | |
| 317 | E | A | -1.5434 | |
| 318 | D | A | -0.9965 | |
| 319 | A | A | -0.2381 | |
| 320 | Y | A | 0.3176 | |
| 321 | S | A | 0.0000 | |
| 322 | I | A | 0.0000 | |
| 323 | R | A | -0.7705 | |
| 324 | C | A | -0.1634 | |
| 325 | T | A | 0.0000 | |
| 326 | P | A | 0.0000 | |
| 327 | Q | A | -1.3093 | |
| 328 | I | A | -0.2397 | |
| 329 | L | A | 0.0000 | |
| 330 | G | A | 0.0000 | |
| 331 | P | A | -1.1038 | |
| 332 | V | A | 0.0000 | |
| 333 | A | A | -1.5838 | |
| 334 | D | A | -2.1339 | |
| 335 | T | A | -1.4571 | |
| 336 | L | A | 0.0000 | |
| 337 | K | A | -3.0235 | |
| 338 | N | A | -2.8368 | |
| 339 | I | A | 0.0000 | |
| 340 | K | A | -2.3047 | |
| 341 | Q | A | -2.5999 | |
| 342 | T | A | -1.4049 | |
| 343 | L | A | 0.0000 | |
| 344 | T | A | -1.7411 | |
| 345 | N | A | -1.9074 | |
| 346 | E | A | -0.9039 | |
| 347 | L | A | 0.0000 | |
| 348 | N | A | -1.6148 | |
| 349 | S | A | -1.0108 | |
| 350 | S | A | 0.0000 | |
| 351 | N | A | 0.0000 | |
| 352 | D | A | 0.0000 | |
| 353 | N | A | 0.0000 | |
| 354 | P | A | 0.0000 | |
| 355 | L | A | 0.0000 | |
| 356 | I | A | 0.0000 | |
| 357 | D | A | -1.3414 | |
| 358 | Q | A | -1.7763 | |
| 359 | T | A | -1.0665 | |
| 360 | T | A | -1.4672 | |
| 361 | E | A | -2.5214 | |
| 362 | E | A | -1.6301 | |
| 363 | V | A | -0.3597 | |
| 364 | F | A | 0.6708 | |
| 365 | H | A | -0.5234 | |
| 366 | N | A | -0.7912 | |
| 367 | G | A | -1.0175 | |
| 368 | H | A | -1.2306 | |
| 369 | F | A | -0.2778 | |
| 370 | H | A | -0.2036 | |
| 371 | G | A | 0.0000 | |
| 372 | Q | A | 0.7610 | |
| 373 | Y | A | 1.0214 | |
| 374 | V | A | 0.0000 | |
| 375 | S | A | 0.0000 | |
| 376 | M | A | 0.8118 | |
| 377 | A | A | 0.0000 | |
| 378 | M | A | 0.0000 | |
| 379 | D | A | 0.0000 | |
| 380 | H | A | -0.1348 | |
| 381 | L | A | 0.0000 | |
| 382 | N | A | 0.0000 | |
| 383 | I | A | 1.5635 | |
| 384 | A | A | 0.0000 | |
| 385 | L | A | 0.0000 | |
| 386 | V | A | 0.0000 | |
| 387 | T | A | 0.2478 | |
| 388 | M | A | 0.0000 | |
| 389 | M | A | 0.0000 | |
| 390 | N | A | -0.9634 | |
| 391 | L | A | 0.0000 | |
| 392 | A | A | 0.0000 | |
| 393 | N | A | -1.0615 | |
| 394 | R | A | -1.7225 | |
| 395 | R | A | 0.0000 | |
| 396 | I | A | 0.0000 | |
| 397 | D | A | -1.5172 | |
| 398 | R | A | -1.5272 | |
| 399 | F | A | 0.0000 | |
| 400 | M | A | 0.0000 | |
| 401 | D | A | -1.9310 | |
| 402 | K | A | -2.5556 | |
| 403 | S | A | -1.7267 | |
| 404 | N | A | -1.7491 | |
| 405 | S | A | 0.0000 | |
| 406 | N | A | -2.3473 | |
| 407 | G | A | -1.6373 | |
| 408 | L | A | 0.0000 | |
| 409 | P | A | -0.8253 | |
| 410 | P | A | -0.9619 | |
| 411 | F | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | C | A | 0.0000 | |
| 414 | A | A | -0.9540 | |
| 415 | E | A | -1.7948 | |
| 416 | N | A | -1.9129 | |
| 417 | A | A | -0.5559 | |
| 418 | G | A | 0.0000 | |
| 419 | L | A | -0.6146 | |
| 420 | R | A | 0.0000 | |
| 421 | L | A | 0.0000 | |
| 422 | G | A | 0.0000 | |
| 423 | L | A | 0.0000 | |
| 424 | M | A | 0.0000 | |
| 425 | G | A | 0.0000 | |
| 426 | G | A | 0.0000 | |
| 427 | Q | A | 0.0000 | |
| 428 | F | A | 0.0000 | |
| 429 | M | A | 0.0000 | |
| 430 | T | A | 0.0000 | |
| 431 | A | A | 0.0000 | |
| 432 | S | A | 0.0000 | |
| 433 | I | A | 0.0000 | |
| 434 | T | A | 0.0000 | |
| 435 | A | A | 0.0000 | |
| 436 | E | A | 0.0000 | |
| 437 | S | A | 0.0000 | |
| 438 | R | A | -0.6220 | |
| 439 | A | A | 0.0000 | |
| 440 | S | A | 0.0292 | |
| 441 | C | A | 0.4973 | |
| 442 | M | A | 0.9159 | |
| 443 | P | A | 0.9393 | |
| 444 | M | A | 0.0000 | |
| 445 | S | A | 1.0666 | |
| 446 | I | A | 2.2415 | |
| 447 | Q | A | 0.9916 | |
| 448 | S | A | 0.8744 | |
| 449 | L | A | 0.2525 | |
| 450 | S | A | -0.6700 | |
| 451 | T | A | 0.0000 | |
| 452 | T | A | 0.0000 | |
| 453 | G | A | -1.6568 | |
| 454 | D | A | -1.8788 | |
| 455 | F | A | -0.1104 | |
| 456 | Q | A | -0.5723 | |
| 457 | D | A | -1.2476 | |
| 458 | I | A | 1.1441 | |
| 459 | V | A | 0.0000 | |
| 460 | S | A | 0.0000 | |
| 461 | F | A | 0.0000 | |
| 462 | G | A | 0.0000 | |
| 463 | L | A | 0.0000 | |
| 464 | V | A | 0.0000 | |
| 465 | A | A | 0.0000 | |
| 466 | A | A | 0.0000 | |
| 467 | R | A | 0.0000 | |
| 468 | R | A | 0.0000 | |
| 469 | V | A | 0.0000 | |
| 470 | R | A | -0.9499 | |
| 471 | E | A | -1.5556 | |
| 472 | Q | A | 0.0000 | |
| 473 | L | A | 0.0000 | |
| 474 | K | A | -1.5439 | |
| 475 | N | A | 0.0000 | |
| 476 | L | A | 0.0000 | |
| 477 | K | A | 0.0000 | |
| 478 | Y | A | 0.0000 | |
| 479 | V | A | 0.0000 | |
| 480 | F | A | 0.0000 | |
| 481 | S | A | 0.0000 | |
| 482 | F | A | 0.0000 | |
| 483 | E | A | 0.0000 | |
| 484 | L | A | 0.0000 | |
| 485 | L | A | 0.0000 | |
| 486 | C | A | 0.0000 | |
| 487 | A | A | 0.0000 | |
| 488 | C | A | 0.0000 | |
| 489 | Q | A | 0.0000 | |
| 490 | A | A | 0.0000 | |
| 491 | V | A | 0.0000 | |
| 492 | D | A | -0.2809 | |
| 493 | I | A | 0.0930 | |
| 494 | R | A | -0.4447 | |
| 495 | G | A | -0.4078 | |
| 496 | T | A | -0.3693 | |
| 497 | A | A | -0.2665 | |
| 498 | G | A | -0.7515 | |
| 499 | L | A | 0.0000 | |
| 500 | S | A | 0.0000 | |
| 501 | K | A | -2.9100 | |
| 502 | R | A | -2.8859 | |
| 503 | T | A | 0.0000 | |
| 504 | R | A | -2.2491 | |
| 505 | A | A | -2.0312 | |
| 506 | L | A | 0.0000 | |
| 507 | Y | A | -1.7248 | |
| 508 | D | A | -2.4032 | |
| 509 | K | A | -1.8581 | |
| 510 | T | A | 0.0000 | |
| 511 | R | A | -1.0695 | |
| 512 | T | A | -0.7949 | |
| 513 | L | A | -0.2660 | |
| 514 | V | A | 0.0000 | |
| 515 | P | A | -0.2094 | |
| 516 | Y | A | -0.4476 | |
| 517 | L | A | 0.0000 | |
| 518 | E | A | -3.0454 | |
| 519 | E | A | -3.1632 | |
| 520 | D | A | 0.0000 | |
| 521 | K | A | -1.6910 | |
| 522 | T | A | -0.8304 | |
| 523 | I | A | 0.0000 | |
| 524 | S | A | 0.0000 | |
| 525 | D | A | -0.8878 | |
| 526 | Y | A | -0.5403 | |
| 527 | I | A | 0.0000 | |
| 528 | E | A | -0.9526 | |
| 529 | S | A | -0.7082 | |
| 530 | I | A | 0.0000 | |
| 531 | A | A | 0.0000 | |
| 532 | Q | A | -1.5766 | |
| 533 | T | A | -0.9725 | |
| 534 | V | A | -0.5929 | |
| 535 | L | A | 0.0000 | |
| 536 | T | A | -1.5747 | |
| 537 | K | A | -2.1993 | |
| 538 | N | A | 0.0000 | |
| 539 | S | A | -1.3718 | |
| 540 | D | A | -1.4537 | |
| 541 | I | A | -0.8441 | |
| 26 | S | B | -0.7354 | |
| 27 | F | B | 0.0000 | |
| 28 | H | B | -1.1190 | |
| 29 | I | B | 0.0000 | |
| 30 | S | B | -1.9267 | |
| 31 | S | B | -2.2041 | |
| 32 | G | B | -2.1612 | |
| 33 | K | B | -2.8841 | |
| 34 | D | B | -3.0149 | |
| 35 | I | B | 0.0000 | |
| 36 | S | B | -1.9440 | |
| 37 | L | B | 0.0000 | |
| 38 | E | B | -2.7437 | |
| 39 | E | B | -2.5968 | |
| 40 | I | B | 0.0000 | |
| 41 | A | B | 0.0000 | |
| 42 | R | B | -3.3501 | |
| 43 | A | B | 0.0000 | |
| 44 | A | B | 0.0000 | |
| 45 | R | B | -2.3884 | |
| 46 | D | B | -2.6885 | |
| 47 | H | B | -1.9587 | |
| 48 | Q | B | -1.8124 | |
| 49 | P | B | -1.2983 | |
| 50 | V | B | 0.0000 | |
| 51 | T | B | -0.9839 | |
| 52 | L | B | -0.9848 | |
| 53 | H | B | -1.8722 | |
| 54 | D | B | -2.7406 | |
| 55 | E | B | -2.6560 | |
| 56 | V | B | 0.0000 | |
| 57 | V | B | -1.4373 | |
| 58 | N | B | -2.3600 | |
| 59 | R | B | -2.6869 | |
| 60 | V | B | 0.0000 | |
| 61 | T | B | -1.0374 | |
| 62 | R | B | -2.4016 | |
| 63 | S | B | 0.0000 | |
| 64 | R | B | 0.0000 | |
| 65 | S | B | -1.2391 | |
| 66 | I | B | -1.3941 | |
| 67 | L | B | 0.0000 | |
| 68 | E | B | -2.0435 | |
| 69 | S | B | -1.8439 | |
| 70 | M | B | 0.0000 | |
| 71 | V | B | -1.5254 | |
| 72 | S | B | -2.1914 | |
| 73 | D | B | -3.0347 | |
| 74 | E | B | -2.8499 | |
| 75 | R | B | -1.5900 | |
| 76 | V | B | 0.9249 | |
| 77 | I | B | 0.0000 | |
| 78 | Y | B | 0.6285 | |
| 79 | G | B | 0.0000 | |
| 80 | V | B | 0.0000 | |
| 81 | N | B | 0.7076 | |
| 82 | T | B | 0.0000 | |
| 83 | S | B | 0.0000 | |
| 84 | M | B | 0.0000 | |
| 85 | G | B | 0.0599 | |
| 86 | G | B | -0.1809 | |
| 87 | F | B | 0.0000 | |
| 88 | V | B | 0.6894 | |
| 89 | N | B | -0.1873 | |
| 90 | Y | B | 1.2498 | |
| 91 | I | B | 2.4264 | |
| 92 | V | B | 0.0000 | |
| 93 | P | B | 0.4192 | |
| 94 | I | B | 0.0878 | |
| 95 | A | B | -0.4945 | |
| 96 | K | B | -1.4664 | |
| 97 | A | B | 0.0000 | |
| 98 | S | B | -1.6586 | |
| 99 | E | B | -2.2507 | |
| 100 | L | B | 0.0000 | |
| 101 | Q | B | 0.0000 | |
| 102 | N | B | -1.4836 | |
| 103 | N | B | -1.3517 | |
| 104 | L | B | 0.0000 | |
| 105 | I | B | 0.0000 | |
| 106 | N | B | -0.8924 | |
| 107 | A | B | 0.0000 | |
| 108 | V | B | 0.0000 | |
| 109 | A | B | 0.0000 | |
| 110 | T | B | 0.0000 | |
| 111 | N | B | 0.0000 | |
| 112 | V | B | 0.0000 | |
| 113 | G | B | -1.1815 | |
| 114 | K | B | -1.6360 | |
| 115 | Y | B | -0.6562 | |
| 116 | F | B | 0.0000 | |
| 117 | D | B | -0.8558 | |
| 118 | D | B | -0.9025 | |
| 119 | T | B | 0.0000 | |
| 120 | T | B | 0.0000 | |
| 121 | V | B | 0.0000 | |
| 122 | R | B | -0.7663 | |
| 123 | A | B | 0.0000 | |
| 124 | T | B | 0.0000 | |
| 125 | M | B | 0.0000 | |
| 126 | L | B | 0.0000 | |
| 127 | A | B | 0.0000 | |
| 128 | R | B | 0.0000 | |
| 129 | I | B | 0.0000 | |
| 130 | V | B | 0.0000 | |
| 131 | S | B | 0.0000 | |
| 132 | L | B | 0.0000 | |
| 133 | S | B | 0.0000 | |
| 134 | R | B | -1.6054 | |
| 135 | G | B | 0.0000 | |
| 136 | N | B | -0.9857 | |
| 137 | S | B | 0.0000 | |
| 138 | A | B | 0.0000 | |
| 139 | I | B | 0.0000 | |
| 140 | S | B | 0.2312 | |
| 141 | I | B | 0.6071 | |
| 142 | V | B | 1.4291 | |
| 143 | N | B | 0.0000 | |
| 144 | F | B | 0.0000 | |
| 145 | K | B | -0.7270 | |
| 146 | K | B | -0.8746 | |
| 147 | L | B | 0.0000 | |
| 148 | I | B | 0.0000 | |
| 149 | E | B | -2.4024 | |
| 150 | I | B | 0.0000 | |
| 151 | Y | B | 0.0000 | |
| 152 | N | B | -1.5508 | |
| 153 | Q | B | -1.8340 | |
| 154 | G | B | -1.2924 | |
| 155 | I | B | 0.0000 | |
| 156 | V | B | 0.0000 | |
| 157 | P | B | 0.0000 | |
| 158 | C | B | 0.0000 | |
| 159 | I | B | 0.0000 | |
| 160 | P | B | 0.0000 | |
| 161 | E | B | 0.0000 | |
| 162 | K | B | -0.4795 | |
| 163 | G | B | 0.0000 | |
| 164 | S | B | 0.0000 | |
| 165 | L | B | 0.0000 | |
| 166 | G | B | -0.1712 | |
| 170 | D | B | 0.0000 | |
| 171 | L | B | 0.3136 | |
| 172 | G | B | 0.0000 | |
| 173 | P | B | 0.0000 | |
| 174 | L | B | 0.0000 | |
| 175 | A | B | 0.0000 | |
| 176 | A | B | 0.0000 | |
| 177 | I | B | 0.0000 | |
| 178 | A | B | 0.0000 | |
| 179 | L | B | 0.0000 | |
| 180 | V | B | 0.0000 | |
| 181 | C | B | 0.0000 | |
| 182 | T | B | -0.6959 | |
| 183 | G | B | -0.7473 | |
| 184 | Q | B | -0.4487 | |
| 185 | W | B | -0.4398 | |
| 186 | K | B | -0.8147 | |
| 187 | A | B | 0.0000 | |
| 188 | R | B | -1.9273 | |
| 189 | Y | B | 0.0000 | |
| 190 | Q | B | -2.4493 | |
| 191 | G | B | -2.2246 | |
| 192 | E | B | -2.9392 | |
| 193 | Q | B | -2.2908 | |
| 194 | M | B | -1.0143 | |
| 195 | S | B | -0.6364 | |
| 196 | G | B | 0.0000 | |
| 197 | A | B | -0.7419 | |
| 198 | M | B | -0.8847 | |
| 199 | A | B | 0.0000 | |
| 200 | L | B | 0.0000 | |
| 201 | E | B | -2.7185 | |
| 202 | K | B | -2.8050 | |
| 203 | A | B | 0.0000 | |
| 204 | G | B | -1.9211 | |
| 205 | I | B | 0.0000 | |
| 206 | S | B | -1.0402 | |
| 207 | P | B | -1.1001 | |
| 208 | M | B | 0.0000 | |
| 209 | E | B | -1.7653 | |
| 210 | L | B | 0.0000 | |
| 211 | S | B | -0.8131 | |
| 212 | F | B | -0.2697 | |
| 213 | K | B | 0.0000 | |
| 214 | E | B | 0.0000 | |
| 215 | G | B | 0.0000 | |
| 216 | L | B | 0.0000 | |
| 217 | A | B | 0.0000 | |
| 218 | L | B | 0.0000 | |
| 219 | I | B | 0.0000 | |
| 220 | N | B | 0.0000 | |
| 221 | G | B | 0.0000 | |
| 222 | T | B | 0.0000 | |
| 223 | S | B | 0.0000 | |
| 224 | A | B | 0.0000 | |
| 225 | M | B | 0.0000 | |
| 226 | V | B | 0.0000 | |
| 227 | G | B | 0.0000 | |
| 228 | L | B | 0.0000 | |
| 229 | G | B | 0.0000 | |
| 230 | V | B | 0.0000 | |
| 231 | L | B | 0.0000 | |
| 232 | L | B | 0.0000 | |
| 233 | Y | B | 0.0000 | |
| 234 | D | B | -1.5608 | |
| 235 | E | B | 0.0000 | |
| 236 | V | B | 0.0000 | |
| 237 | K | B | -1.7097 | |
| 238 | R | B | -2.1219 | |
| 239 | L | B | 0.0000 | |
| 240 | F | B | 0.0000 | |
| 241 | D | B | -2.2477 | |
| 242 | T | B | -1.1977 | |
| 243 | Y | B | 0.0000 | |
| 244 | L | B | 0.0000 | |
| 245 | T | B | -0.7760 | |
| 246 | V | B | 0.0000 | |
| 247 | T | B | 0.0000 | |
| 248 | S | B | 0.0000 | |
| 249 | L | B | 0.0000 | |
| 250 | S | B | 0.0000 | |
| 251 | I | B | 0.0000 | |
| 252 | E | B | 0.0000 | |
| 253 | G | B | 0.0000 | |
| 254 | L | B | 0.0000 | |
| 255 | H | B | -0.7808 | |
| 256 | G | B | 0.0000 | |
| 257 | K | B | 0.0000 | |
| 258 | T | B | -1.0639 | |
| 259 | K | B | -1.4386 | |
| 260 | P | B | -0.6862 | |
| 261 | F | B | 0.0000 | |
| 262 | E | B | -0.6480 | |
| 263 | P | B | -0.4909 | |
| 264 | A | B | -0.1477 | |
| 265 | V | B | 0.4415 | |
| 266 | H | B | 0.0000 | |
| 267 | R | B | -1.8787 | |
| 268 | M | B | -0.4382 | |
| 269 | K | B | -2.1993 | |
| 270 | P | B | -1.9440 | |
| 271 | H | B | -2.3732 | |
| 272 | Q | B | -2.3112 | |
| 273 | G | B | 0.0000 | |
| 274 | Q | B | 0.0000 | |
| 275 | L | B | -1.3838 | |
| 276 | E | B | -1.0621 | |
| 277 | V | B | 0.0000 | |
| 278 | A | B | 0.0000 | |
| 279 | T | B | -0.6693 | |
| 280 | T | B | -0.9198 | |
| 281 | I | B | 0.0000 | |
| 282 | W | B | -0.9770 | |
| 283 | E | B | -2.0308 | |
| 284 | T | B | 0.0000 | |
| 285 | L | B | 0.0000 | |
| 286 | A | B | -1.4853 | |
| 287 | D | B | -2.5307 | |
| 288 | S | B | -1.7773 | |
| 289 | S | B | -0.7989 | |
| 290 | L | B | 0.0000 | |
| 291 | A | B | -0.6933 | |
| 292 | V | B | -1.1991 | |
| 293 | N | B | -2.6332 | |
| 294 | E | B | -2.8318 | |
| 295 | H | B | -2.9142 | |
| 296 | E | B | -3.2775 | |
| 297 | V | B | 0.0000 | |
| 298 | E | B | -3.0705 | |
| 299 | K | B | -3.0080 | |
| 300 | L | B | -1.7935 | |
| 301 | I | B | -1.5258 | |
| 302 | A | B | -1.7079 | |
| 303 | E | B | -2.3864 | |
| 304 | E | B | -1.6057 | |
| 305 | M | B | -0.4048 | |
| 306 | D | B | -1.3796 | |
| 307 | G | B | -0.1588 | |
| 308 | L | B | 1.3182 | |
| 309 | V | B | 1.5609 | |
| 310 | K | B | -0.4082 | |
| 311 | A | B | -0.7624 | |
| 312 | S | B | -1.1960 | |
| 313 | N | B | -1.8556 | |
| 314 | H | B | -1.7528 | |
| 315 | Q | B | -1.8011 | |
| 316 | I | B | -0.8083 | |
| 317 | E | B | -1.4072 | |
| 318 | D | B | -0.8221 | |
| 319 | A | B | 0.0465 | |
| 320 | Y | B | 0.6352 | |
| 321 | S | B | 0.0000 | |
| 322 | I | B | 0.0000 | |
| 323 | R | B | -0.5148 | |
| 324 | C | B | 0.1656 | |
| 325 | T | B | 0.0000 | |
| 326 | P | B | 0.0000 | |
| 327 | Q | B | -0.7907 | |
| 328 | I | B | 0.0792 | |
| 329 | L | B | 0.0000 | |
| 330 | G | B | 0.0000 | |
| 331 | P | B | -0.7347 | |
| 332 | V | B | 0.0000 | |
| 333 | A | B | 0.0000 | |
| 334 | D | B | -1.4525 | |
| 335 | T | B | -1.0224 | |
| 336 | L | B | 0.0000 | |
| 337 | K | B | -1.9902 | |
| 338 | N | B | -2.3321 | |
| 339 | I | B | 0.0000 | |
| 340 | K | B | -2.0995 | |
| 341 | Q | B | -2.4324 | |
| 342 | T | B | -1.4017 | |
| 343 | L | B | 0.0000 | |
| 344 | T | B | -1.8729 | |
| 345 | N | B | -1.9186 | |
| 346 | E | B | 0.0000 | |
| 347 | L | B | 0.0000 | |
| 348 | N | B | -1.6172 | |
| 349 | S | B | -0.9332 | |
| 350 | S | B | 0.0000 | |
| 351 | N | B | 0.0000 | |
| 352 | D | B | 0.0000 | |
| 353 | N | B | 0.0000 | |
| 354 | P | B | 0.0000 | |
| 355 | L | B | 0.0000 | |
| 356 | I | B | 0.0000 | |
| 357 | D | B | -1.1875 | |
| 358 | Q | B | -1.6799 | |
| 359 | T | B | -0.9696 | |
| 360 | T | B | -1.3131 | |
| 361 | E | B | -2.2875 | |
| 362 | E | B | -1.2894 | |
| 363 | V | B | -0.3155 | |
| 364 | F | B | 0.3309 | |
| 365 | H | B | -0.7156 | |
| 366 | N | B | -0.8029 | |
| 367 | G | B | -0.8276 | |
| 368 | H | B | -0.8158 | |
| 369 | F | B | -0.0499 | |
| 370 | H | B | -0.2048 | |
| 371 | G | B | 0.0000 | |
| 372 | Q | B | -0.1953 | |
| 373 | Y | B | 0.2673 | |
| 374 | V | B | 0.0000 | |
| 375 | S | B | 0.0000 | |
| 376 | M | B | 0.5642 | |
| 377 | A | B | 0.0000 | |
| 378 | M | B | 0.0000 | |
| 379 | D | B | 0.0000 | |
| 380 | H | B | 0.1147 | |
| 381 | L | B | 0.0000 | |
| 382 | N | B | 0.0000 | |
| 383 | I | B | 1.5953 | |
| 384 | A | B | 0.0000 | |
| 385 | L | B | 0.0000 | |
| 386 | V | B | 0.0000 | |
| 387 | T | B | 0.2062 | |
| 388 | M | B | 0.0000 | |
| 389 | M | B | 0.0000 | |
| 390 | N | B | -1.1247 | |
| 391 | L | B | 0.0000 | |
| 392 | A | B | 0.0000 | |
| 393 | N | B | -1.2303 | |
| 394 | R | B | -1.9548 | |
| 395 | R | B | 0.0000 | |
| 396 | I | B | 0.0000 | |
| 397 | D | B | -1.5593 | |
| 398 | R | B | -1.5743 | |
| 399 | F | B | 0.0000 | |
| 400 | M | B | 0.0000 | |
| 401 | D | B | -1.9039 | |
| 402 | K | B | -2.5274 | |
| 403 | S | B | -1.7183 | |
| 404 | N | B | -1.7033 | |
| 405 | S | B | 0.0000 | |
| 406 | N | B | -2.4633 | |
| 407 | G | B | -1.6429 | |
| 408 | L | B | 0.0000 | |
| 409 | P | B | -0.9013 | |
| 410 | P | B | -0.9530 | |
| 411 | F | B | 0.0000 | |
| 412 | L | B | 0.0000 | |
| 413 | C | B | 0.0000 | |
| 414 | A | B | -1.0271 | |
| 415 | E | B | -2.3579 | |
| 416 | N | B | -2.1932 | |
| 417 | A | B | -0.7448 | |
| 418 | G | B | 0.0000 | |
| 419 | L | B | -0.4082 | |
| 420 | R | B | 0.0000 | |
| 421 | L | B | 0.0000 | |
| 422 | G | B | 0.0000 | |
| 423 | L | B | 0.0000 | |
| 424 | M | B | 0.0000 | |
| 425 | G | B | 0.0000 | |
| 426 | G | B | 0.0000 | |
| 427 | Q | B | 0.0000 | |
| 428 | F | B | 0.0000 | |
| 429 | M | B | 0.0000 | |
| 430 | T | B | 0.0000 | |
| 431 | A | B | 0.0000 | |
| 432 | S | B | 0.0000 | |
| 433 | I | B | 0.0000 | |
| 434 | T | B | 0.0000 | |
| 435 | A | B | 0.0000 | |
| 436 | E | B | 0.0000 | |
| 437 | S | B | 0.0000 | |
| 438 | R | B | -0.7187 | |
| 439 | A | B | 0.0000 | |
| 440 | S | B | -0.0195 | |
| 441 | C | B | 0.4645 | |
| 442 | M | B | 0.8964 | |
| 443 | P | B | 0.9712 | |
| 444 | M | B | 0.0000 | |
| 445 | S | B | 0.9254 | |
| 446 | I | B | 2.1498 | |
| 447 | Q | B | 0.9789 | |
| 448 | S | B | 0.8473 | |
| 449 | L | B | 0.2123 | |
| 450 | S | B | -0.6126 | |
| 451 | T | B | 0.0000 | |
| 452 | T | B | 0.0000 | |
| 453 | G | B | -1.5939 | |
| 454 | D | B | -1.7772 | |
| 455 | F | B | 0.0855 | |
| 456 | Q | B | -0.4848 | |
| 457 | D | B | -1.1788 | |
| 458 | I | B | 1.0914 | |
| 459 | V | B | 0.0000 | |
| 460 | S | B | 0.0000 | |
| 461 | F | B | 0.0000 | |
| 462 | G | B | 0.0000 | |
| 463 | L | B | 0.0000 | |
| 464 | V | B | 0.0000 | |
| 465 | A | B | 0.0000 | |
| 466 | A | B | 0.0000 | |
| 467 | R | B | 0.0000 | |
| 468 | R | B | -0.5609 | |
| 469 | V | B | 0.0000 | |
| 470 | R | B | -0.8268 | |
| 471 | E | B | -1.4014 | |
| 472 | Q | B | 0.0000 | |
| 473 | L | B | 0.0000 | |
| 474 | K | B | -1.0518 | |
| 475 | N | B | 0.0000 | |
| 476 | L | B | 0.0000 | |
| 477 | K | B | 0.0000 | |
| 478 | Y | B | 0.0000 | |
| 479 | V | B | 0.0000 | |
| 480 | F | B | 0.0000 | |
| 481 | S | B | 0.0000 | |
| 482 | F | B | 0.0000 | |
| 483 | E | B | 0.0000 | |
| 484 | L | B | 0.0000 | |
| 485 | L | B | 0.0000 | |
| 486 | C | B | 0.0000 | |
| 487 | A | B | 0.0000 | |
| 488 | C | B | 0.0000 | |
| 489 | Q | B | 0.0000 | |
| 490 | A | B | 0.0000 | |
| 491 | V | B | 0.0000 | |
| 492 | D | B | -0.3054 | |
| 493 | I | B | 0.0746 | |
| 494 | R | B | -0.4915 | |
| 495 | G | B | -0.4237 | |
| 496 | T | B | -0.3692 | |
| 497 | A | B | -0.2616 | |
| 498 | G | B | -0.7903 | |
| 499 | L | B | 0.0000 | |
| 500 | S | B | 0.0000 | |
| 501 | K | B | -3.0902 | |
| 502 | R | B | -3.1358 | |
| 503 | T | B | 0.0000 | |
| 504 | R | B | -2.3844 | |
| 505 | A | B | -2.1533 | |
| 506 | L | B | 0.0000 | |
| 507 | Y | B | -1.8505 | |
| 508 | D | B | -2.5165 | |
| 509 | K | B | -2.1117 | |
| 510 | T | B | 0.0000 | |
| 511 | R | B | -1.1554 | |
| 512 | T | B | -0.8100 | |
| 513 | L | B | -0.2229 | |
| 514 | V | B | 0.0000 | |
| 515 | P | B | -0.2145 | |
| 516 | Y | B | -0.5252 | |
| 517 | L | B | 0.0000 | |
| 518 | E | B | -3.1718 | |
| 519 | E | B | -3.2403 | |
| 520 | D | B | 0.0000 | |
| 521 | K | B | -1.6102 | |
| 522 | T | B | 0.0000 | |
| 523 | I | B | 0.0000 | |
| 524 | S | B | 0.0000 | |
| 525 | D | B | -0.8265 | |
| 526 | Y | B | -0.4724 | |
| 527 | I | B | 0.0000 | |
| 528 | E | B | -0.8971 | |
| 529 | S | B | -0.6749 | |
| 530 | I | B | 0.0000 | |
| 531 | A | B | 0.0000 | |
| 532 | Q | B | -1.6253 | |
| 533 | T | B | -1.0703 | |
| 534 | V | B | 0.0000 | |
| 535 | L | B | 0.0000 | |
| 536 | T | B | -1.4444 | |
| 537 | K | B | -2.0457 | |
| 538 | N | B | 0.0000 | |
| 539 | S | B | -1.2051 | |
| 540 | D | B | -1.1865 | |
| 541 | I | B | -0.5409 |
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 | -0.4976 | 3.7213 | View | CSV | PDB |
| 4.5 | -0.5512 | 3.7213 | View | CSV | PDB |
| 5.0 | -0.6174 | 3.7213 | View | CSV | PDB |
| 5.5 | -0.6846 | 3.7213 | View | CSV | PDB |
| 6.0 | -0.7415 | 3.7213 | View | CSV | PDB |
| 6.5 | -0.78 | 3.7213 | View | CSV | PDB |
| 7.0 | -0.7987 | 3.7213 | View | CSV | PDB |
| 7.5 | -0.8025 | 3.7213 | View | CSV | PDB |
| 8.0 | -0.797 | 3.7213 | View | CSV | PDB |
| 8.5 | -0.7844 | 3.7212 | View | CSV | PDB |
| 9.0 | -0.7642 | 3.7209 | 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