| Chain sequence(s) |
A: MSTVPEEFARRVTAAPDAVAVIDGDRVLTYRELDELAGRLSGRLIGRGVRRGDRVAVLLPNSADLIVTLLAIWKAGAAFVPIDAGFPAPRVAFMVADSGASRMVCSAATRDGVPEGIEAIVVTDEEAFEASAAGARPGDLAYVLYTSGSTGIPKGVAVPHRAVHARATDRCWDLDTGSRVLFHSPFAFDIAIFEIWAPLLAGGEVVVAPAGDLDAAVLQRTLAAYGVTSLLLTAGLLGVIADEAPEVFTGVKDVWTGGDVVSPTAVRRVLEACPGTVVKTLYGPTEVTLGASWLPFTDPRRIPPVVPIGRPREGQTLQVLDASLRAVAPGVIGDIYISGAGLADGYLRRAGLTAERLVADPSAPGARMFRTGDLGQWTADGYLVFAGRADDQVKVRGFRIEPAEVEAALTAQPGVHEAVVRAVDGRLVGYVVAEGDAEPAVLRERVGAVLPEYMVPAAVITLDALPLTGNGKVDRAALPAPVFAADGSHHHHHH
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 (00:08:53)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a0257763b199efe/tmp/folded.pdb (00:08:53)
[INFO] Main: Simulation completed successfully. (00:16:03)
|
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 | 0.4182 | |
| 2 | S | A | -0.3541 | |
| 3 | T | A | 0.0000 | |
| 4 | V | A | 0.0000 | |
| 5 | P | A | -0.6740 | |
| 6 | E | A | -1.0220 | |
| 7 | E | A | -1.1926 | |
| 8 | F | A | 0.0000 | |
| 9 | A | A | -1.4834 | |
| 10 | R | A | -2.2282 | |
| 11 | R | A | -1.7331 | |
| 12 | V | A | -1.5947 | |
| 13 | T | A | -1.1856 | |
| 14 | A | A | -0.8645 | |
| 15 | A | A | -1.0322 | |
| 16 | P | A | -1.7434 | |
| 17 | D | A | -2.1167 | |
| 18 | A | A | -1.0389 | |
| 19 | V | A | -0.1127 | |
| 20 | A | A | 0.0000 | |
| 21 | V | A | 0.0000 | |
| 22 | I | A | -0.4582 | |
| 23 | D | A | -1.4967 | |
| 24 | G | A | -1.8294 | |
| 25 | D | A | -2.6458 | |
| 26 | R | A | -2.2988 | |
| 27 | V | A | -0.1904 | |
| 28 | L | A | 0.0000 | |
| 29 | T | A | -1.0646 | |
| 30 | Y | A | 0.0000 | |
| 31 | R | A | -2.5872 | |
| 32 | E | A | -2.2978 | |
| 33 | L | A | 0.0000 | |
| 34 | D | A | -2.0771 | |
| 35 | E | A | -2.9235 | |
| 36 | L | A | -1.5271 | |
| 37 | A | A | 0.0000 | |
| 38 | G | A | -1.9627 | |
| 39 | R | A | -2.6551 | |
| 40 | L | A | 0.0000 | |
| 41 | S | A | 0.0000 | |
| 42 | G | A | 0.0000 | |
| 43 | R | A | 0.0000 | |
| 44 | L | A | 0.0000 | |
| 45 | I | A | -0.7395 | |
| 46 | G | A | -0.6430 | |
| 47 | R | A | -0.9549 | |
| 48 | G | A | -1.0900 | |
| 49 | V | A | 0.0000 | |
| 50 | R | A | -2.7989 | |
| 51 | R | A | -2.6720 | |
| 52 | G | A | -1.9049 | |
| 53 | D | A | -1.9496 | |
| 54 | R | A | -1.3204 | |
| 55 | V | A | 0.0000 | |
| 56 | A | A | 0.0000 | |
| 57 | V | A | 0.0000 | |
| 58 | L | A | 0.0000 | |
| 59 | L | A | 0.0000 | |
| 60 | P | A | -0.6407 | |
| 61 | N | A | -0.7541 | |
| 62 | S | A | -0.8027 | |
| 63 | A | A | 0.0000 | |
| 64 | D | A | -0.5177 | |
| 65 | L | A | 0.0000 | |
| 66 | I | A | 0.0000 | |
| 67 | V | A | 0.0000 | |
| 68 | T | A | 0.0000 | |
| 69 | L | A | 0.0000 | |
| 70 | L | A | 0.0000 | |
| 71 | A | A | 0.0000 | |
| 72 | I | A | 0.0000 | |
| 73 | W | A | 0.0000 | |
| 74 | K | A | -0.5504 | |
| 75 | A | A | 0.0000 | |
| 76 | G | A | 0.0000 | |
| 77 | A | A | 0.0000 | |
| 78 | A | A | 0.0000 | |
| 79 | F | A | 0.0000 | |
| 80 | V | A | 0.0000 | |
| 81 | P | A | 0.0000 | |
| 82 | I | A | 0.0000 | |
| 83 | D | A | -0.7170 | |
| 84 | A | A | -0.4488 | |
| 85 | G | A | -0.9034 | |
| 86 | F | A | -0.4526 | |
| 87 | P | A | -0.2150 | |
| 88 | A | A | -0.0814 | |
| 89 | P | A | 0.1313 | |
| 90 | R | A | 0.0000 | |
| 91 | V | A | 0.0000 | |
| 92 | A | A | -0.0779 | |
| 93 | F | A | 0.6058 | |
| 94 | M | A | 0.0000 | |
| 95 | V | A | 0.0000 | |
| 96 | A | A | 0.1052 | |
| 97 | D | A | 0.0000 | |
| 98 | S | A | 0.0000 | |
| 99 | G | A | -0.7470 | |
| 100 | A | A | 0.0000 | |
| 101 | S | A | -0.9460 | |
| 102 | R | A | -1.1910 | |
| 103 | M | A | 0.0000 | |
| 104 | V | A | 0.0000 | |
| 105 | C | A | 0.0000 | |
| 106 | S | A | -0.9219 | |
| 107 | A | A | -0.8919 | |
| 108 | A | A | -0.8168 | |
| 109 | T | A | -1.3971 | |
| 110 | R | A | -2.5388 | |
| 111 | D | A | -2.8865 | |
| 112 | G | A | -1.9284 | |
| 113 | V | A | -1.7265 | |
| 114 | P | A | -1.6376 | |
| 115 | E | A | -2.3613 | |
| 116 | G | A | -1.5899 | |
| 117 | I | A | -1.2895 | |
| 118 | E | A | -1.8918 | |
| 119 | A | A | -1.5116 | |
| 120 | I | A | 0.0000 | |
| 121 | V | A | -0.9565 | |
| 122 | V | A | 0.0000 | |
| 123 | T | A | -1.2525 | |
| 124 | D | A | -2.4853 | |
| 125 | E | A | -2.9259 | |
| 126 | E | A | -2.0708 | |
| 127 | A | A | -1.0114 | |
| 128 | F | A | -0.3660 | |
| 129 | E | A | -1.6376 | |
| 130 | A | A | -0.8505 | |
| 131 | S | A | -0.4746 | |
| 132 | A | A | -0.7502 | |
| 133 | A | A | -0.6856 | |
| 134 | G | A | -1.0442 | |
| 135 | A | A | 0.0000 | |
| 136 | R | A | -1.7603 | |
| 137 | P | A | -1.2934 | |
| 138 | G | A | -1.5494 | |
| 139 | D | A | -1.5807 | |
| 140 | L | A | -0.9919 | |
| 141 | A | A | 0.0000 | |
| 142 | Y | A | 0.0000 | |
| 143 | V | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | Y | A | 0.3732 | |
| 146 | T | A | 0.2796 | |
| 147 | S | A | 0.0000 | |
| 148 | G | A | 0.0000 | |
| 149 | S | A | -0.2613 | |
| 150 | T | A | 0.2847 | |
| 151 | G | A | 0.5191 | |
| 152 | I | A | 1.4979 | |
| 153 | P | A | 0.0000 | |
| 154 | K | A | 0.0000 | |
| 155 | G | A | 0.0000 | |
| 156 | V | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | V | A | 0.0000 | |
| 159 | P | A | 0.0000 | |
| 160 | H | A | 0.0000 | |
| 161 | R | A | -1.5290 | |
| 162 | A | A | 0.0000 | |
| 163 | V | A | 0.0000 | |
| 164 | H | A | -0.5305 | |
| 165 | A | A | -0.9285 | |
| 166 | R | A | 0.0000 | |
| 167 | A | A | 0.0000 | |
| 168 | T | A | -0.7540 | |
| 169 | D | A | 0.0000 | |
| 170 | R | A | -2.6185 | |
| 171 | C | A | -1.5954 | |
| 172 | W | A | 0.0000 | |
| 173 | D | A | -2.8075 | |
| 174 | L | A | -2.0247 | |
| 175 | D | A | -2.3395 | |
| 176 | T | A | -1.2462 | |
| 177 | G | A | -1.2198 | |
| 178 | S | A | 0.0000 | |
| 179 | R | A | -1.1726 | |
| 180 | V | A | 0.0000 | |
| 181 | L | A | 0.0000 | |
| 182 | F | A | 0.0000 | |
| 183 | H | A | -0.4982 | |
| 184 | S | A | 0.0000 | |
| 185 | P | A | -0.1903 | |
| 186 | F | A | 0.0000 | |
| 187 | A | A | 0.1029 | |
| 188 | F | A | 0.5073 | |
| 189 | D | A | 0.0000 | |
| 190 | I | A | 0.2711 | |
| 191 | A | A | 0.0000 | |
| 192 | I | A | 0.0000 | |
| 193 | F | A | 0.0000 | |
| 194 | E | A | 0.0000 | |
| 195 | I | A | 0.0000 | |
| 196 | W | A | 0.0000 | |
| 197 | A | A | 0.0000 | |
| 198 | P | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | L | A | 0.0000 | |
| 201 | A | A | -1.2697 | |
| 202 | G | A | 0.0000 | |
| 203 | G | A | 0.0000 | |
| 204 | E | A | -0.4363 | |
| 205 | V | A | 0.0000 | |
| 206 | V | A | 0.0000 | |
| 207 | V | A | 0.0000 | |
| 208 | A | A | -0.4654 | |
| 209 | P | A | -0.6860 | |
| 210 | A | A | -0.7960 | |
| 211 | G | A | -1.4744 | |
| 212 | D | A | -2.3334 | |
| 213 | L | A | -1.4558 | |
| 214 | D | A | -1.8459 | |
| 215 | A | A | -1.5856 | |
| 216 | A | A | -0.9971 | |
| 217 | V | A | -1.0901 | |
| 218 | L | A | 0.0000 | |
| 219 | Q | A | -1.6138 | |
| 220 | R | A | -1.8447 | |
| 221 | T | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | A | A | -0.7279 | |
| 224 | A | A | -0.4353 | |
| 225 | Y | A | -0.1815 | |
| 226 | G | A | -0.5085 | |
| 227 | V | A | 0.0000 | |
| 228 | T | A | -1.0312 | |
| 229 | S | A | 0.0000 | |
| 230 | L | A | 0.0000 | |
| 231 | L | A | 0.0000 | |
| 232 | L | A | 0.0000 | |
| 233 | T | A | -0.5118 | |
| 234 | A | A | 0.0000 | |
| 235 | G | A | -0.5192 | |
| 236 | L | A | -0.1094 | |
| 237 | L | A | 0.0000 | |
| 238 | G | A | -0.3237 | |
| 239 | V | A | 0.1069 | |
| 240 | I | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | D | A | -2.3465 | |
| 243 | E | A | -2.6994 | |
| 244 | A | A | -2.0061 | |
| 245 | P | A | -2.1824 | |
| 246 | E | A | -2.4605 | |
| 247 | V | A | 0.0000 | |
| 248 | F | A | 0.0000 | |
| 249 | T | A | -1.2448 | |
| 250 | G | A | -1.3002 | |
| 251 | V | A | 0.0000 | |
| 252 | K | A | -2.1446 | |
| 253 | D | A | 0.0000 | |
| 254 | V | A | 0.0000 | |
| 255 | W | A | 0.0000 | |
| 256 | T | A | 0.0000 | |
| 257 | G | A | 0.0000 | |
| 258 | G | A | -0.9379 | |
| 259 | D | A | -0.9082 | |
| 260 | V | A | 1.4145 | |
| 261 | V | A | 0.0000 | |
| 262 | S | A | 0.3075 | |
| 263 | P | A | -0.0524 | |
| 264 | T | A | -0.7473 | |
| 265 | A | A | 0.0000 | |
| 266 | V | A | 0.0000 | |
| 267 | R | A | -2.4883 | |
| 268 | R | A | -2.5118 | |
| 269 | V | A | 0.0000 | |
| 270 | L | A | 0.0000 | |
| 271 | E | A | -3.0268 | |
| 272 | A | A | -1.9557 | |
| 273 | C | A | 0.0000 | |
| 274 | P | A | -1.4139 | |
| 275 | G | A | -1.2509 | |
| 276 | T | A | 0.0000 | |
| 277 | V | A | -0.4422 | |
| 278 | V | A | 0.0000 | |
| 279 | K | A | 0.0000 | |
| 280 | T | A | 0.0000 | |
| 281 | L | A | 0.0000 | |
| 282 | Y | A | 0.0884 | |
| 283 | G | A | -0.0871 | |
| 284 | P | A | -0.1329 | |
| 285 | T | A | 0.0583 | |
| 286 | E | A | 0.0000 | |
| 287 | V | A | 0.0000 | |
| 288 | T | A | 0.0000 | |
| 289 | L | A | 0.0000 | |
| 290 | G | A | 0.0000 | |
| 291 | A | A | 0.0000 | |
| 292 | S | A | 0.0000 | |
| 293 | W | A | 0.0147 | |
| 294 | L | A | 0.0504 | |
| 295 | P | A | -0.0072 | |
| 296 | F | A | 0.0000 | |
| 297 | T | A | -1.2029 | |
| 298 | D | A | -2.1944 | |
| 299 | P | A | -2.7781 | |
| 300 | R | A | -3.3085 | |
| 301 | R | A | -3.0725 | |
| 302 | I | A | 0.0000 | |
| 303 | P | A | -0.3998 | |
| 304 | P | A | 0.3722 | |
| 305 | V | A | 2.0656 | |
| 306 | V | A | 1.4554 | |
| 307 | P | A | 0.0000 | |
| 308 | I | A | 0.7247 | |
| 309 | G | A | 0.0000 | |
| 310 | R | A | -1.0802 | |
| 311 | P | A | -1.0374 | |
| 312 | R | A | 0.0000 | |
| 313 | E | A | -2.4978 | |
| 314 | G | A | -1.4342 | |
| 315 | Q | A | 0.0000 | |
| 316 | T | A | -0.6688 | |
| 317 | L | A | 0.0000 | |
| 318 | Q | A | -0.5440 | |
| 319 | V | A | 0.0000 | |
| 320 | L | A | 0.0000 | |
| 321 | D | A | -0.8220 | |
| 322 | A | A | -0.6404 | |
| 323 | S | A | -0.7189 | |
| 324 | L | A | -0.7404 | |
| 325 | R | A | -1.8297 | |
| 326 | A | A | -0.8048 | |
| 327 | V | A | 0.0571 | |
| 328 | A | A | 0.2473 | |
| 329 | P | A | -0.0081 | |
| 330 | G | A | 0.4481 | |
| 331 | V | A | 1.6758 | |
| 332 | I | A | 1.9674 | |
| 333 | G | A | 0.0000 | |
| 334 | D | A | -0.4284 | |
| 335 | I | A | 0.0000 | |
| 336 | Y | A | -0.3009 | |
| 337 | I | A | 0.0000 | |
| 338 | S | A | 0.0000 | |
| 339 | G | A | -0.6681 | |
| 340 | A | A | -0.7012 | |
| 341 | G | A | 0.0000 | |
| 342 | L | A | -0.5558 | |
| 343 | A | A | 0.0000 | |
| 344 | D | A | -1.8410 | |
| 345 | G | A | 0.0000 | |
| 346 | Y | A | 0.0000 | |
| 347 | L | A | -0.9808 | |
| 348 | R | A | -1.9103 | |
| 349 | R | A | -1.2636 | |
| 350 | A | A | -0.9088 | |
| 351 | G | A | -1.0581 | |
| 352 | L | A | -0.7727 | |
| 353 | T | A | -1.0817 | |
| 354 | A | A | -0.9146 | |
| 355 | E | A | -1.9327 | |
| 356 | R | A | -1.2743 | |
| 357 | L | A | 0.0000 | |
| 358 | V | A | -0.5092 | |
| 359 | A | A | -0.4283 | |
| 360 | D | A | 0.0000 | |
| 361 | P | A | -0.6131 | |
| 362 | S | A | -0.5036 | |
| 363 | A | A | -0.4931 | |
| 364 | P | A | -0.6246 | |
| 365 | G | A | -0.7456 | |
| 366 | A | A | -0.5861 | |
| 367 | R | A | -0.9016 | |
| 368 | M | A | 0.0000 | |
| 369 | F | A | 0.0000 | |
| 370 | R | A | -1.1584 | |
| 371 | T | A | 0.0000 | |
| 372 | G | A | -0.8442 | |
| 373 | D | A | 0.0000 | |
| 374 | L | A | 0.3584 | |
| 375 | G | A | 0.0000 | |
| 376 | Q | A | 0.8045 | |
| 377 | W | A | 0.0540 | |
| 378 | T | A | -0.5636 | |
| 379 | A | A | -0.9852 | |
| 380 | D | A | -1.8082 | |
| 381 | G | A | -1.1495 | |
| 382 | Y | A | -0.4735 | |
| 383 | L | A | 0.0000 | |
| 384 | V | A | 0.9255 | |
| 385 | F | A | 1.4707 | |
| 386 | A | A | 0.7137 | |
| 387 | G | A | 0.2317 | |
| 388 | R | A | -0.8390 | |
| 389 | A | A | -0.8889 | |
| 390 | D | A | -1.6290 | |
| 391 | D | A | -2.0790 | |
| 392 | Q | A | 0.0000 | |
| 393 | V | A | -0.8932 | |
| 394 | K | A | -1.1766 | |
| 395 | V | A | 0.0000 | |
| 396 | R | A | -2.4188 | |
| 397 | G | A | 0.0000 | |
| 398 | F | A | -0.6592 | |
| 399 | R | A | -0.6243 | |
| 400 | I | A | 0.0000 | |
| 401 | E | A | 0.0000 | |
| 402 | P | A | 0.0000 | |
| 403 | A | A | -0.2729 | |
| 404 | E | A | 0.0000 | |
| 405 | V | A | 0.0000 | |
| 406 | E | A | -0.6280 | |
| 407 | A | A | -0.1875 | |
| 408 | A | A | 0.0715 | |
| 409 | L | A | 0.0000 | |
| 410 | T | A | -0.9237 | |
| 411 | A | A | -0.5481 | |
| 412 | Q | A | 0.0000 | |
| 413 | P | A | -0.8598 | |
| 414 | G | A | -1.7797 | |
| 415 | V | A | 0.0000 | |
| 416 | H | A | -2.1858 | |
| 417 | E | A | -2.1664 | |
| 418 | A | A | -1.0202 | |
| 419 | V | A | 0.0000 | |
| 420 | V | A | 0.0000 | |
| 421 | R | A | -0.8722 | |
| 422 | A | A | -1.0783 | |
| 423 | V | A | -1.0990 | |
| 424 | D | A | -2.1853 | |
| 425 | G | A | -2.3579 | |
| 426 | R | A | -1.9238 | |
| 427 | L | A | 0.0000 | |
| 428 | V | A | 0.0000 | |
| 429 | G | A | 0.0000 | |
| 430 | Y | A | 0.0000 | |
| 431 | V | A | 0.0000 | |
| 432 | V | A | -1.4568 | |
| 433 | A | A | -2.3763 | |
| 434 | E | A | -2.9106 | |
| 435 | G | A | -2.4281 | |
| 436 | D | A | -2.7457 | |
| 437 | A | A | -1.8587 | |
| 438 | E | A | -1.6349 | |
| 439 | P | A | -0.9849 | |
| 440 | A | A | -0.5993 | |
| 441 | V | A | -0.4618 | |
| 442 | L | A | 0.0000 | |
| 443 | R | A | -1.9262 | |
| 444 | E | A | -2.3684 | |
| 445 | R | A | -1.7707 | |
| 446 | V | A | 0.0000 | |
| 447 | G | A | -1.4069 | |
| 448 | A | A | -0.8380 | |
| 449 | V | A | 0.0029 | |
| 450 | L | A | 0.0000 | |
| 451 | P | A | 0.0000 | |
| 452 | E | A | -1.9119 | |
| 453 | Y | A | -1.0168 | |
| 454 | M | A | 0.0000 | |
| 455 | V | A | -0.9991 | |
| 456 | P | A | 0.0000 | |
| 457 | A | A | -0.4290 | |
| 458 | A | A | 0.2136 | |
| 459 | V | A | 0.0000 | |
| 460 | I | A | 0.4489 | |
| 461 | T | A | -0.6501 | |
| 462 | L | A | -0.6278 | |
| 463 | D | A | -1.7779 | |
| 464 | A | A | -0.7252 | |
| 465 | L | A | -0.2884 | |
| 466 | P | A | 0.0640 | |
| 467 | L | A | 0.3985 | |
| 468 | T | A | -0.7485 | |
| 469 | G | A | -1.1603 | |
| 470 | N | A | -1.8828 | |
| 471 | G | A | -1.3595 | |
| 472 | K | A | -1.8917 | |
| 473 | V | A | -0.6230 | |
| 474 | D | A | -0.8168 | |
| 475 | R | A | -1.0322 | |
| 476 | A | A | -0.3497 | |
| 477 | A | A | -0.0840 | |
| 478 | L | A | 0.0000 | |
| 479 | P | A | 0.1018 | |
| 480 | A | A | 0.5557 | |
| 481 | P | A | 0.7635 | |
| 482 | V | A | 1.9893 | |
| 483 | F | A | 0.8728 | |
| 484 | A | A | 0.1495 | |
| 485 | A | A | -0.6203 | |
| 486 | D | A | -2.1317 | |
| 487 | G | A | -1.8951 | |
| 488 | S | A | -1.8837 | |
| 489 | H | A | -2.4740 | |
| 490 | H | A | -2.5636 | |
| 491 | H | A | -2.7732 | |
| 492 | H | A | -2.7241 | |
| 493 | H | A | -2.4227 | |
| 494 | H | A | -1.9103 |
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 | -0.2952 | 3.529 | View | CSV | PDB |
| 4.5 | -0.3597 | 3.4805 | View | CSV | PDB |
| 5.0 | -0.4391 | 3.4256 | View | CSV | PDB |
| 5.5 | -0.5232 | 3.3676 | View | CSV | PDB |
| 6.0 | -0.6018 | 3.3088 | View | CSV | PDB |
| 6.5 | -0.6687 | 3.2504 | View | CSV | PDB |
| 7.0 | -0.7235 | 3.1942 | View | CSV | PDB |
| 7.5 | -0.7692 | 3.1433 | View | CSV | PDB |
| 8.0 | -0.8079 | 3.115 | View | CSV | PDB |
| 8.5 | -0.8387 | 3.115 | View | CSV | PDB |
| 9.0 | -0.859 | 3.115 | 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