| Chain sequence(s) | MQWIRGGSGMLITGDSIVSAEAVWDHVTMANRGVAFKAGDVIKVLDASNKDWWWGQIDDEEGWFPASFVRLWVNQEDGVEEGPSDVQNGHLDPNSDCLCLGRPLQNRDQMRANVINEIMSTERHYIKHLKDICEGYLKQCRKRRDMFSDEQLKVIFGNIEDIYRFQMGFVRDLEKQYNNDDPHLSEIGPCFLEHQDGFWIYSEYCNNHLDACMELSKLMKDSRYQHFFEACRLLQQMIDIAIDGFLLTPVQKICKYPLQLAELLKYTAQDHSDYRYVAAALAVMRNVTQQINERKRRLENIDKIAQWQASVLDWEGDDILDRSSELIYTGEMAWIYQPYGRNQQRVFFLFDHQMVLCKKDLIRRDILYYKGRIDMDKYEVIDIEDGRDDDFNVSMKNAFKLHNKETEEVHLFFAKKLEEKIRWLRAFREERKMVQEDEKIGFEISENQKRQAAMTVRKASKQKGRVGEEENQSLELKRACEVLQRLWSPGKKS 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] (00:00:01)
[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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:25)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6da658819ae2fd/tmp/folded.pdb (00:10:25)
[INFO] Main: Simulation completed successfully. (00:12:54)
|
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 | 0.7630 | |
| 2 | Q | A | -0.2545 | |
| 3 | W | A | 0.4233 | |
| 4 | I | A | -0.7670 | |
| 5 | R | A | -1.8658 | |
| 6 | G | A | -1.2062 | |
| 7 | G | A | -1.2602 | |
| 8 | S | A | -0.8255 | |
| 9 | G | A | -0.7808 | |
| 10 | M | A | 0.1220 | |
| 11 | L | A | 0.3089 | |
| 12 | I | A | 0.1702 | |
| 13 | T | A | -0.1701 | |
| 14 | G | A | -0.8655 | |
| 15 | D | A | -1.6212 | |
| 16 | S | A | -0.0422 | |
| 17 | I | A | 0.8006 | |
| 18 | V | A | 0.0000 | |
| 19 | S | A | 0.0000 | |
| 20 | A | A | 0.0000 | |
| 21 | E | A | -0.2874 | |
| 22 | A | A | 0.0000 | |
| 23 | V | A | 0.0000 | |
| 24 | W | A | -0.6108 | |
| 25 | D | A | -1.0849 | |
| 26 | H | A | 0.1293 | |
| 27 | V | A | 1.5014 | |
| 28 | T | A | 0.8725 | |
| 29 | M | A | 0.8573 | |
| 30 | A | A | -0.3955 | |
| 31 | N | A | -1.8363 | |
| 32 | R | A | -2.5720 | |
| 33 | G | A | -1.0425 | |
| 34 | V | A | 0.0000 | |
| 35 | A | A | -0.2496 | |
| 36 | F | A | 0.0000 | |
| 37 | K | A | -1.8206 | |
| 38 | A | A | -1.1325 | |
| 39 | G | A | -0.8746 | |
| 40 | D | A | -0.9409 | |
| 41 | V | A | 0.1592 | |
| 42 | I | A | 0.0000 | |
| 43 | K | A | -1.2199 | |
| 44 | V | A | 0.0000 | |
| 45 | L | A | -0.2846 | |
| 46 | D | A | -0.7905 | |
| 47 | A | A | 0.0000 | |
| 48 | S | A | -1.5034 | |
| 49 | N | A | -2.0926 | |
| 50 | K | A | -2.8118 | |
| 51 | D | A | -2.2234 | |
| 52 | W | A | -0.7120 | |
| 53 | W | A | 0.0000 | |
| 54 | W | A | -0.5062 | |
| 55 | G | A | 0.0000 | |
| 56 | Q | A | -2.3958 | |
| 57 | I | A | -2.3333 | |
| 58 | D | A | -3.4109 | |
| 59 | D | A | -3.7832 | |
| 60 | E | A | -3.9738 | |
| 61 | E | A | -3.1080 | |
| 62 | G | A | 0.0000 | |
| 63 | W | A | -0.3119 | |
| 64 | F | A | 0.0000 | |
| 65 | P | A | 0.0000 | |
| 66 | A | A | -0.5253 | |
| 67 | S | A | -0.2356 | |
| 68 | F | A | 0.1210 | |
| 69 | V | A | 0.0000 | |
| 70 | R | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | W | A | 0.1658 | |
| 73 | V | A | 0.0690 | |
| 74 | N | A | 0.0000 | |
| 75 | Q | A | -1.4641 | |
| 76 | E | A | -2.6902 | |
| 77 | D | A | -2.5278 | |
| 78 | G | A | -1.6521 | |
| 79 | V | A | -0.7871 | |
| 80 | E | A | -2.3992 | |
| 81 | E | A | -2.6000 | |
| 82 | G | A | -2.0539 | |
| 83 | P | A | -1.6039 | |
| 84 | S | A | -1.2994 | |
| 85 | D | A | -1.6542 | |
| 86 | V | A | -0.1662 | |
| 87 | Q | A | -1.7115 | |
| 88 | N | A | -1.9116 | |
| 89 | G | A | -1.4991 | |
| 90 | H | A | -1.3664 | |
| 91 | L | A | -0.2973 | |
| 92 | D | A | -1.8919 | |
| 93 | P | A | -1.7055 | |
| 94 | N | A | -2.1923 | |
| 95 | S | A | -1.6031 | |
| 96 | D | A | -1.3222 | |
| 97 | C | A | 0.8679 | |
| 98 | L | A | 1.7941 | |
| 99 | C | A | 1.5899 | |
| 100 | L | A | 1.9058 | |
| 101 | G | A | 0.2414 | |
| 102 | R | A | -1.5312 | |
| 103 | P | A | -1.0850 | |
| 104 | L | A | -0.6912 | |
| 105 | Q | A | -2.4744 | |
| 106 | N | A | -2.8377 | |
| 107 | R | A | -3.1749 | |
| 108 | D | A | -2.5213 | |
| 109 | Q | A | -2.6529 | |
| 110 | M | A | -1.8546 | |
| 111 | R | A | 0.0000 | |
| 112 | A | A | 0.0000 | |
| 113 | N | A | -1.1656 | |
| 114 | V | A | 0.0000 | |
| 115 | I | A | 0.0000 | |
| 116 | N | A | -0.8286 | |
| 117 | E | A | 0.0000 | |
| 118 | I | A | 0.0000 | |
| 119 | M | A | -0.8786 | |
| 120 | S | A | -1.1489 | |
| 121 | T | A | -1.2255 | |
| 122 | E | A | 0.0000 | |
| 123 | R | A | -2.4999 | |
| 124 | H | A | -2.3220 | |
| 125 | Y | A | 0.0000 | |
| 126 | I | A | -1.5306 | |
| 127 | K | A | -2.2146 | |
| 128 | H | A | -1.3459 | |
| 129 | L | A | 0.0000 | |
| 130 | K | A | -1.8124 | |
| 131 | D | A | 0.0000 | |
| 132 | I | A | 0.0000 | |
| 133 | C | A | 0.0000 | |
| 134 | E | A | -1.9154 | |
| 135 | G | A | 0.0000 | |
| 136 | Y | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | K | A | -2.7407 | |
| 139 | Q | A | -2.4138 | |
| 140 | C | A | 0.0000 | |
| 141 | R | A | -3.7234 | |
| 142 | K | A | -3.8022 | |
| 143 | R | A | -3.6360 | |
| 144 | R | A | -4.1608 | |
| 145 | D | A | -3.2770 | |
| 146 | M | A | -2.2163 | |
| 147 | F | A | 0.0000 | |
| 148 | S | A | -2.9182 | |
| 149 | D | A | -3.6272 | |
| 150 | E | A | -3.2879 | |
| 151 | Q | A | -2.0868 | |
| 152 | L | A | 0.0000 | |
| 153 | K | A | -2.7572 | |
| 154 | V | A | -1.3130 | |
| 155 | I | A | 0.0000 | |
| 156 | F | A | 0.0000 | |
| 157 | G | A | -1.8652 | |
| 158 | N | A | -1.4996 | |
| 159 | I | A | 0.0000 | |
| 160 | E | A | -1.9268 | |
| 161 | D | A | -2.4743 | |
| 162 | I | A | 0.0000 | |
| 163 | Y | A | -1.5926 | |
| 164 | R | A | -2.3193 | |
| 165 | F | A | -0.9876 | |
| 166 | Q | A | 0.0000 | |
| 167 | M | A | -1.0910 | |
| 168 | G | A | -0.8755 | |
| 169 | F | A | 0.0000 | |
| 170 | V | A | 0.0000 | |
| 171 | R | A | -2.8068 | |
| 172 | D | A | -2.2687 | |
| 173 | L | A | 0.0000 | |
| 174 | E | A | -2.7873 | |
| 175 | K | A | -3.0862 | |
| 176 | Q | A | -2.1167 | |
| 177 | Y | A | -1.8302 | |
| 178 | N | A | -2.1771 | |
| 179 | N | A | -2.7562 | |
| 180 | D | A | -2.7947 | |
| 181 | D | A | -2.1702 | |
| 182 | P | A | -1.7785 | |
| 183 | H | A | -1.4250 | |
| 184 | L | A | -0.3688 | |
| 185 | S | A | 0.0000 | |
| 186 | E | A | -0.8182 | |
| 187 | I | A | 0.0000 | |
| 188 | G | A | 0.0000 | |
| 189 | P | A | -0.6563 | |
| 190 | C | A | 0.0000 | |
| 191 | F | A | 0.0000 | |
| 192 | L | A | -0.8971 | |
| 193 | E | A | -2.3239 | |
| 194 | H | A | -1.8073 | |
| 195 | Q | A | -1.9667 | |
| 196 | D | A | -2.2386 | |
| 197 | G | A | -1.3976 | |
| 198 | F | A | 0.0000 | |
| 199 | W | A | -0.5623 | |
| 200 | I | A | -0.6421 | |
| 201 | Y | A | 0.0000 | |
| 202 | S | A | -1.0810 | |
| 203 | E | A | -1.9777 | |
| 204 | Y | A | 0.0000 | |
| 205 | C | A | 0.0000 | |
| 206 | N | A | -1.5609 | |
| 207 | N | A | -1.1679 | |
| 208 | H | A | -0.1668 | |
| 209 | L | A | 0.9636 | |
| 210 | D | A | -0.5731 | |
| 211 | A | A | 0.0000 | |
| 212 | C | A | 0.1654 | |
| 213 | M | A | 0.2569 | |
| 214 | E | A | -0.4741 | |
| 215 | L | A | 0.0000 | |
| 216 | S | A | -1.3283 | |
| 217 | K | A | -2.1242 | |
| 218 | L | A | 0.0000 | |
| 219 | M | A | -2.0400 | |
| 220 | K | A | -2.8645 | |
| 221 | D | A | -2.6082 | |
| 222 | S | A | -2.3261 | |
| 223 | R | A | -2.8618 | |
| 224 | Y | A | 0.0000 | |
| 225 | Q | A | -2.5938 | |
| 226 | H | A | -2.3332 | |
| 227 | F | A | -1.4472 | |
| 228 | F | A | 0.0000 | |
| 229 | E | A | -0.9248 | |
| 230 | A | A | -0.1019 | |
| 231 | C | A | 0.0000 | |
| 232 | R | A | 0.0000 | |
| 233 | L | A | 1.1074 | |
| 234 | L | A | 1.3998 | |
| 235 | Q | A | 0.1505 | |
| 236 | Q | A | -0.2481 | |
| 237 | M | A | 0.0000 | |
| 238 | I | A | 1.3001 | |
| 239 | D | A | -0.3968 | |
| 240 | I | A | 0.5744 | |
| 241 | A | A | -0.1370 | |
| 242 | I | A | 0.0000 | |
| 243 | D | A | -0.6655 | |
| 244 | G | A | -0.2745 | |
| 245 | F | A | 0.0000 | |
| 246 | L | A | 0.0000 | |
| 247 | L | A | 0.2837 | |
| 248 | T | A | -0.0502 | |
| 249 | P | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | Q | A | -0.0580 | |
| 252 | K | A | 0.0000 | |
| 253 | I | A | 0.0000 | |
| 254 | C | A | 0.0000 | |
| 255 | K | A | -0.4774 | |
| 256 | Y | A | 0.0000 | |
| 257 | P | A | 0.0000 | |
| 258 | L | A | -0.2149 | |
| 259 | Q | A | 0.0000 | |
| 260 | L | A | 0.0000 | |
| 261 | A | A | -0.3883 | |
| 262 | E | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | L | A | -0.6380 | |
| 265 | K | A | -1.6555 | |
| 266 | Y | A | -1.4675 | |
| 267 | T | A | 0.0000 | |
| 268 | A | A | -1.7030 | |
| 269 | Q | A | -2.3386 | |
| 270 | D | A | -2.6769 | |
| 271 | H | A | -1.5350 | |
| 272 | S | A | -1.0762 | |
| 273 | D | A | 0.0000 | |
| 274 | Y | A | -1.3685 | |
| 275 | R | A | -1.6158 | |
| 276 | Y | A | 0.2906 | |
| 277 | V | A | 0.0000 | |
| 278 | A | A | -0.1650 | |
| 279 | A | A | -0.0038 | |
| 280 | A | A | 0.0000 | |
| 281 | L | A | -0.2830 | |
| 282 | A | A | -0.5163 | |
| 283 | V | A | -1.0201 | |
| 284 | M | A | 0.0000 | |
| 285 | R | A | -2.6722 | |
| 286 | N | A | -2.5885 | |
| 287 | V | A | 0.0000 | |
| 288 | T | A | -1.8947 | |
| 289 | Q | A | -2.6167 | |
| 290 | Q | A | -1.9322 | |
| 291 | I | A | 0.0000 | |
| 292 | N | A | -1.9676 | |
| 293 | E | A | -1.7170 | |
| 294 | R | A | 0.0000 | |
| 295 | K | A | -2.1073 | |
| 296 | R | A | -2.1716 | |
| 297 | R | A | 0.0000 | |
| 298 | L | A | -1.6534 | |
| 299 | E | A | -2.8065 | |
| 300 | N | A | -2.1346 | |
| 301 | I | A | 0.0000 | |
| 302 | D | A | -2.4950 | |
| 303 | K | A | -2.6072 | |
| 304 | I | A | 0.0000 | |
| 305 | A | A | -1.4527 | |
| 306 | Q | A | -1.7695 | |
| 307 | W | A | -0.8525 | |
| 308 | Q | A | -0.6407 | |
| 309 | A | A | -0.8145 | |
| 310 | S | A | -0.3365 | |
| 311 | V | A | 0.0000 | |
| 312 | L | A | -0.1312 | |
| 313 | D | A | -1.7645 | |
| 314 | W | A | -1.8560 | |
| 315 | E | A | -3.0427 | |
| 316 | G | A | -2.5223 | |
| 317 | D | A | -3.5662 | |
| 318 | D | A | -3.3092 | |
| 319 | I | A | 0.0000 | |
| 320 | L | A | 0.0000 | |
| 321 | D | A | -3.7171 | |
| 322 | R | A | -2.9622 | |
| 323 | S | A | 0.0000 | |
| 324 | S | A | 0.0000 | |
| 325 | E | A | 0.0000 | |
| 326 | L | A | 0.6159 | |
| 327 | I | A | 0.4319 | |
| 328 | Y | A | -0.1136 | |
| 329 | T | A | -0.2473 | |
| 330 | G | A | -0.9824 | |
| 331 | E | A | -2.2688 | |
| 332 | M | A | 0.0000 | |
| 333 | A | A | -1.4255 | |
| 334 | W | A | 0.0000 | |
| 335 | I | A | 0.0000 | |
| 336 | Y | A | -0.7601 | |
| 337 | Q | A | -1.6664 | |
| 338 | P | A | -1.1351 | |
| 339 | Y | A | 0.1126 | |
| 340 | G | A | -0.9588 | |
| 341 | R | A | -2.4614 | |
| 342 | N | A | -2.3812 | |
| 343 | Q | A | -1.9692 | |
| 344 | Q | A | -2.3575 | |
| 345 | R | A | -1.8385 | |
| 346 | V | A | -1.2291 | |
| 347 | F | A | 0.0000 | |
| 348 | F | A | 0.0000 | |
| 349 | L | A | 0.0000 | |
| 350 | F | A | 0.0000 | |
| 351 | D | A | 0.0000 | |
| 352 | H | A | -1.0453 | |
| 353 | Q | A | 0.0000 | |
| 354 | M | A | 0.0000 | |
| 355 | V | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | C | A | 0.0000 | |
| 358 | K | A | -1.4210 | |
| 359 | K | A | -1.8420 | |
| 360 | D | A | -0.7535 | |
| 361 | L | A | 1.0296 | |
| 362 | I | A | 0.9801 | |
| 363 | R | A | -2.0194 | |
| 364 | R | A | -2.8933 | |
| 365 | D | A | -2.8646 | |
| 366 | I | A | -1.2914 | |
| 367 | L | A | -1.0381 | |
| 368 | Y | A | -0.4263 | |
| 369 | Y | A | -1.1961 | |
| 370 | K | A | -1.6755 | |
| 371 | G | A | -1.2262 | |
| 372 | R | A | -1.1577 | |
| 373 | I | A | 0.0000 | |
| 374 | D | A | -1.3986 | |
| 375 | M | A | 0.0000 | |
| 376 | D | A | -1.7967 | |
| 377 | K | A | -2.5116 | |
| 378 | Y | A | 0.0000 | |
| 379 | E | A | -1.6294 | |
| 380 | V | A | -0.3789 | |
| 381 | I | A | -0.2718 | |
| 382 | D | A | -1.7489 | |
| 383 | I | A | -2.1549 | |
| 384 | E | A | -3.4941 | |
| 385 | D | A | -3.9168 | |
| 386 | G | A | -3.0860 | |
| 387 | R | A | -3.6606 | |
| 388 | D | A | 0.0000 | |
| 389 | D | A | -3.4338 | |
| 390 | D | A | -3.0680 | |
| 391 | F | A | 0.0000 | |
| 392 | N | A | -2.1611 | |
| 393 | V | A | -1.3450 | |
| 394 | S | A | -1.9524 | |
| 395 | M | A | 0.0000 | |
| 396 | K | A | -3.1716 | |
| 397 | N | A | -2.1293 | |
| 398 | A | A | 0.0000 | |
| 399 | F | A | 0.0000 | |
| 400 | K | A | -0.3461 | |
| 401 | L | A | 0.0000 | |
| 402 | H | A | -2.0408 | |
| 403 | N | A | 0.0000 | |
| 404 | K | A | -3.8139 | |
| 405 | E | A | -3.5026 | |
| 406 | T | A | -3.0041 | |
| 407 | E | A | -3.4222 | |
| 408 | E | A | -3.4882 | |
| 409 | V | A | 0.0000 | |
| 410 | H | A | -0.7616 | |
| 411 | L | A | 0.0000 | |
| 412 | F | A | 0.0000 | |
| 413 | F | A | -1.1013 | |
| 414 | A | A | 0.0000 | |
| 415 | K | A | -2.7360 | |
| 416 | K | A | -2.0392 | |
| 417 | L | A | -0.4878 | |
| 418 | E | A | -1.7268 | |
| 419 | E | A | 0.0000 | |
| 420 | K | A | 0.0000 | |
| 421 | I | A | -0.6919 | |
| 422 | R | A | -2.0063 | |
| 423 | W | A | 0.0000 | |
| 424 | L | A | 0.0000 | |
| 425 | R | A | -3.0531 | |
| 426 | A | A | 0.0000 | |
| 427 | F | A | 0.0000 | |
| 428 | R | A | -3.8937 | |
| 429 | E | A | -3.6358 | |
| 430 | E | A | 0.0000 | |
| 431 | R | A | -3.0904 | |
| 432 | K | A | -3.6153 | |
| 433 | M | A | 0.0000 | |
| 434 | V | A | 0.0000 | |
| 435 | Q | A | -3.5568 | |
| 436 | E | A | -3.0788 | |
| 437 | D | A | 0.0000 | |
| 438 | E | A | -3.5413 | |
| 439 | K | A | -3.0716 | |
| 440 | I | A | -1.8527 | |
| 441 | G | A | -1.9633 | |
| 442 | F | A | -1.5487 | |
| 443 | E | A | -2.6127 | |
| 444 | I | A | 0.0000 | |
| 445 | S | A | -2.6163 | |
| 446 | E | A | -3.8565 | |
| 447 | N | A | -3.4704 | |
| 448 | Q | A | -2.8337 | |
| 449 | K | A | -3.3409 | |
| 450 | R | A | -3.4603 | |
| 451 | Q | A | -2.8071 | |
| 452 | A | A | 0.0000 | |
| 453 | A | A | -1.9243 | |
| 454 | M | A | -1.3390 | |
| 455 | T | A | -1.7739 | |
| 456 | V | A | -1.9721 | |
| 457 | R | A | -2.9580 | |
| 458 | K | A | -3.3729 | |
| 459 | A | A | -2.6440 | |
| 460 | S | A | -3.2986 | |
| 461 | K | A | -4.0808 | |
| 462 | Q | A | -3.6547 | |
| 463 | K | A | -3.4461 | |
| 464 | G | A | -3.6070 | |
| 465 | R | A | -4.1204 | |
| 466 | V | A | -2.8410 | |
| 467 | G | A | -3.5844 | |
| 468 | E | A | -4.6578 | |
| 469 | E | A | -4.6094 | |
| 470 | E | A | -4.1583 | |
| 471 | N | A | -4.1285 | |
| 472 | Q | A | -3.7957 | |
| 473 | S | A | -2.7674 | |
| 474 | L | A | -2.2821 | |
| 475 | E | A | -3.1475 | |
| 476 | L | A | -1.0983 | |
| 477 | K | A | -2.3721 | |
| 478 | R | A | -2.7480 | |
| 479 | A | A | -0.9320 | |
| 480 | C | A | -0.7800 | |
| 481 | E | A | -2.2213 | |
| 482 | V | A | 0.1454 | |
| 483 | L | A | 0.2503 | |
| 484 | Q | A | -1.0923 | |
| 485 | R | A | -1.0405 | |
| 486 | L | A | 1.1642 | |
| 487 | W | A | 1.0635 | |
| 488 | S | A | -0.4635 | |
| 489 | P | A | -0.8501 | |
| 490 | G | A | -1.9151 | |
| 491 | K | A | -2.9140 | |
| 492 | K | A | -2.8211 | |
| 493 | S | A | -1.5609 |
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 | -1.1393 | 3.333 | View | CSV | PDB |
| 4.5 | -1.2444 | 3.2257 | View | CSV | PDB |
| 5.0 | -1.3719 | 3.1099 | View | CSV | PDB |
| 5.5 | -1.501 | 3.1099 | View | CSV | PDB |
| 6.0 | -1.6102 | 3.1099 | View | CSV | PDB |
| 6.5 | -1.6838 | 3.1099 | View | CSV | PDB |
| 7.0 | -1.7188 | 3.1099 | View | CSV | PDB |
| 7.5 | -1.7255 | 3.1099 | View | CSV | PDB |
| 8.0 | -1.7149 | 3.1099 | View | CSV | PDB |
| 8.5 | -1.6895 | 3.1099 | View | CSV | PDB |
| 9.0 | -1.6472 | 3.1099 | 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