| Chain sequence(s) | MSLKSERRGIHVDQSELLCKKGCGYYGNPAWQGFCSKCWREEYHKARQRQIQEDWELAERLQREEEEAFASSQSSQGAQSLTFSKFEEKKTNEKTRKVTTVKKFFSASSRAGSKKEIQEAKAPSPSINRQTSIETDRVTKEFIDFLKTFHKTGQEVYKQTKMFLEAMPYKRDLSIEEQSECTQDFYQNVAERLQTRGKVPPEKVEKMMDQIEKHIMTRLYKFVFCPETTDDEKKDLAIQKRIRALHWVTPQMLCVPVNEEIPEVSDMVVKAITDIIEMDSKRVPRDKLACITRCSKHIFNAIKITKNEPASADDFLPTLIYIVLKGNPPRLQSNIQYITRFCNPSRLMTGEDGYYFTNLCCAVAFIEKLDAQSLNLSQEDFDRYMSGQTSPRKQESESWSPEACLGVKQMYKNLDLLSQLNERQERIMTEAKKLEKDLIDWTDGIAKEVQDIVEKYPLEIKPPNQPLAAIDSENVENDKLPPPLQPQVYAG 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 partially or entirely disordered. Average 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 (00:10:25)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/9e80dedd9aec2a/tmp/folded.pdb (00:10:25)
[INFO] Main: Simulation completed successfully. (00:13:06)
|
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 | 1.1345 | |
| 2 | S | A | 0.5222 | |
| 3 | L | A | 0.5657 | |
| 4 | K | A | -1.7720 | |
| 5 | S | A | -2.3145 | |
| 6 | E | A | -3.6541 | |
| 7 | R | A | -4.1043 | |
| 8 | R | A | -3.6358 | |
| 9 | G | A | -2.2536 | |
| 10 | I | A | -1.1468 | |
| 11 | H | A | -1.9676 | |
| 12 | V | A | -0.9904 | |
| 13 | D | A | -2.1605 | |
| 14 | Q | A | -2.1133 | |
| 15 | S | A | -1.9942 | |
| 16 | E | A | -2.5377 | |
| 17 | L | A | -0.8061 | |
| 18 | L | A | -0.8449 | |
| 19 | C | A | 0.0000 | |
| 20 | K | A | -2.7233 | |
| 21 | K | A | -2.4205 | |
| 22 | G | A | -1.4433 | |
| 23 | C | A | -0.5733 | |
| 24 | G | A | -0.1026 | |
| 25 | Y | A | 1.0666 | |
| 26 | Y | A | 0.7643 | |
| 27 | G | A | 0.0000 | |
| 28 | N | A | 0.0000 | |
| 29 | P | A | -0.5560 | |
| 30 | A | A | -0.4353 | |
| 31 | W | A | 0.0000 | |
| 32 | Q | A | -1.4304 | |
| 33 | G | A | -1.3834 | |
| 34 | F | A | -1.1111 | |
| 35 | C | A | 0.0000 | |
| 36 | S | A | -0.3191 | |
| 37 | K | A | -1.2301 | |
| 38 | C | A | -1.5212 | |
| 39 | W | A | -1.5953 | |
| 40 | R | A | -1.7394 | |
| 41 | E | A | -2.4979 | |
| 42 | E | A | -2.3782 | |
| 43 | Y | A | -1.7730 | |
| 44 | H | A | -3.1445 | |
| 45 | K | A | -3.6336 | |
| 46 | A | A | -2.7041 | |
| 47 | R | A | -2.9723 | |
| 48 | Q | A | -3.6731 | |
| 49 | R | A | -4.0704 | |
| 50 | Q | A | -3.5182 | |
| 51 | I | A | -1.8443 | |
| 52 | Q | A | -2.7622 | |
| 53 | E | A | -3.7213 | |
| 54 | D | A | -2.8504 | |
| 55 | W | A | -1.4106 | |
| 56 | E | A | -2.9023 | |
| 57 | L | A | -1.6813 | |
| 58 | A | A | -1.9067 | |
| 59 | E | A | -3.4606 | |
| 60 | R | A | -3.8546 | |
| 61 | L | A | -2.4863 | |
| 62 | Q | A | -4.4359 | |
| 63 | R | A | -5.2041 | |
| 64 | E | A | -5.0159 | |
| 65 | E | A | -4.6396 | |
| 66 | E | A | -4.3995 | |
| 67 | E | A | -3.8314 | |
| 68 | A | A | -2.1830 | |
| 69 | F | A | -0.5336 | |
| 70 | A | A | -1.0728 | |
| 71 | S | A | -0.9439 | |
| 72 | S | A | -0.7519 | |
| 73 | Q | A | -0.9563 | |
| 74 | S | A | -0.9760 | |
| 75 | S | A | -1.3744 | |
| 76 | Q | A | -1.9611 | |
| 77 | G | A | -1.4550 | |
| 78 | A | A | -1.1258 | |
| 79 | Q | A | -1.2094 | |
| 80 | S | A | 0.0271 | |
| 81 | L | A | 1.5569 | |
| 82 | T | A | 1.3232 | |
| 83 | F | A | 1.9151 | |
| 84 | S | A | 0.0938 | |
| 85 | K | A | -0.9502 | |
| 86 | F | A | -0.2811 | |
| 87 | E | A | -2.7125 | |
| 88 | E | A | -3.5713 | |
| 89 | K | A | -3.6078 | |
| 90 | K | A | -3.6719 | |
| 91 | T | A | -2.2920 | |
| 92 | N | A | -3.0568 | |
| 93 | E | A | -3.5456 | |
| 94 | K | A | -3.4869 | |
| 95 | T | A | -2.5428 | |
| 96 | R | A | -2.5960 | |
| 97 | K | A | -1.9632 | |
| 98 | V | A | 0.5929 | |
| 99 | T | A | 0.3125 | |
| 100 | T | A | 0.3797 | |
| 101 | V | A | 0.9550 | |
| 102 | K | A | -1.1060 | |
| 103 | K | A | -0.6778 | |
| 104 | F | A | 1.8865 | |
| 105 | F | A | 2.1752 | |
| 106 | S | A | 0.9236 | |
| 107 | A | A | 0.4610 | |
| 108 | S | A | -0.7419 | |
| 109 | S | A | -1.2085 | |
| 110 | R | A | -2.0557 | |
| 111 | A | A | -1.1671 | |
| 112 | G | A | -1.2980 | |
| 113 | S | A | -1.6273 | |
| 114 | K | A | -3.1837 | |
| 115 | K | A | -3.1328 | |
| 116 | E | A | -2.3538 | |
| 117 | I | A | -0.2424 | |
| 118 | Q | A | -1.9007 | |
| 119 | E | A | -2.3962 | |
| 120 | A | A | -1.9291 | |
| 121 | K | A | -2.3738 | |
| 122 | A | A | -1.1747 | |
| 123 | P | A | -0.8454 | |
| 124 | S | A | -0.4952 | |
| 125 | P | A | -0.1193 | |
| 126 | S | A | -0.1741 | |
| 127 | I | A | 0.3052 | |
| 128 | N | A | -1.6568 | |
| 129 | R | A | -2.4223 | |
| 130 | Q | A | -1.9422 | |
| 131 | T | A | -1.5793 | |
| 132 | S | A | -0.7678 | |
| 133 | I | A | 0.3780 | |
| 134 | E | A | -1.4024 | |
| 135 | T | A | 0.0000 | |
| 136 | D | A | -2.5613 | |
| 137 | R | A | -3.2906 | |
| 138 | V | A | 0.0000 | |
| 139 | T | A | -2.5913 | |
| 140 | K | A | -3.8810 | |
| 141 | E | A | -3.7088 | |
| 142 | F | A | 0.0000 | |
| 143 | I | A | -2.0324 | |
| 144 | D | A | -3.0947 | |
| 145 | F | A | -1.8979 | |
| 146 | L | A | 0.0000 | |
| 147 | K | A | -2.8600 | |
| 148 | T | A | -1.6162 | |
| 149 | F | A | -1.8187 | |
| 150 | H | A | -2.6699 | |
| 151 | K | A | -3.0219 | |
| 152 | T | A | -2.6727 | |
| 153 | G | A | 0.0000 | |
| 154 | Q | A | -3.0050 | |
| 155 | E | A | -2.6999 | |
| 156 | V | A | 0.0000 | |
| 157 | Y | A | -1.5907 | |
| 158 | K | A | -1.9169 | |
| 159 | Q | A | -1.2496 | |
| 160 | T | A | 0.0000 | |
| 161 | K | A | -1.4761 | |
| 162 | M | A | -0.3234 | |
| 163 | F | A | -0.3285 | |
| 164 | L | A | -0.8091 | |
| 165 | E | A | -1.4756 | |
| 166 | A | A | -0.5064 | |
| 167 | M | A | 0.0000 | |
| 168 | P | A | -0.6323 | |
| 169 | Y | A | 0.0648 | |
| 170 | K | A | -1.1630 | |
| 171 | R | A | -1.7778 | |
| 172 | D | A | -2.1111 | |
| 173 | L | A | -1.0957 | |
| 174 | S | A | -1.3058 | |
| 175 | I | A | 0.0000 | |
| 176 | E | A | -2.0629 | |
| 177 | E | A | -1.7206 | |
| 178 | Q | A | 0.0000 | |
| 179 | S | A | -1.3291 | |
| 180 | E | A | -1.6335 | |
| 181 | C | A | -1.0895 | |
| 182 | T | A | 0.0000 | |
| 183 | Q | A | -1.5688 | |
| 184 | D | A | -2.4494 | |
| 185 | F | A | 0.0000 | |
| 186 | Y | A | 0.0000 | |
| 187 | Q | A | -2.7475 | |
| 188 | N | A | -2.4572 | |
| 189 | V | A | 0.0000 | |
| 190 | A | A | -2.4423 | |
| 191 | E | A | -3.3817 | |
| 192 | R | A | -3.4215 | |
| 193 | L | A | 0.0000 | |
| 194 | Q | A | -3.0088 | |
| 195 | T | A | -2.7174 | |
| 196 | R | A | -3.2724 | |
| 197 | G | A | -2.8542 | |
| 198 | K | A | -2.8088 | |
| 199 | V | A | 0.0000 | |
| 200 | P | A | -1.9861 | |
| 201 | P | A | -2.6134 | |
| 202 | E | A | -3.5556 | |
| 203 | K | A | -3.3563 | |
| 204 | V | A | 0.0000 | |
| 205 | E | A | -3.7988 | |
| 206 | K | A | -3.5095 | |
| 207 | M | A | 0.0000 | |
| 208 | M | A | 0.0000 | |
| 209 | D | A | -1.8479 | |
| 210 | Q | A | -1.3014 | |
| 211 | I | A | 0.0000 | |
| 212 | E | A | 0.0000 | |
| 213 | K | A | -1.2483 | |
| 214 | H | A | 0.0000 | |
| 215 | I | A | 0.0000 | |
| 216 | M | A | 0.0000 | |
| 217 | T | A | 0.0000 | |
| 218 | R | A | -1.2670 | |
| 219 | L | A | 0.0000 | |
| 220 | Y | A | -0.7454 | |
| 221 | K | A | -1.4321 | |
| 222 | F | A | -0.5263 | |
| 223 | V | A | 0.0000 | |
| 224 | F | A | 0.0000 | |
| 225 | C | A | -1.4801 | |
| 226 | P | A | -1.5810 | |
| 227 | E | A | -2.3732 | |
| 228 | T | A | -1.6603 | |
| 229 | T | A | -2.3501 | |
| 230 | D | A | -3.5359 | |
| 231 | D | A | 0.0000 | |
| 232 | E | A | -3.7187 | |
| 233 | K | A | -3.4505 | |
| 234 | K | A | -2.9869 | |
| 235 | D | A | 0.0000 | |
| 236 | L | A | -1.0624 | |
| 237 | A | A | -1.6470 | |
| 238 | I | A | 0.0000 | |
| 239 | Q | A | -1.7463 | |
| 240 | K | A | -2.3890 | |
| 241 | R | A | -2.2351 | |
| 242 | I | A | 0.0000 | |
| 243 | R | A | -3.1206 | |
| 244 | A | A | -1.7635 | |
| 245 | L | A | 0.0000 | |
| 246 | H | A | -1.9251 | |
| 247 | W | A | 0.0000 | |
| 248 | V | A | 0.0000 | |
| 249 | T | A | -0.7307 | |
| 250 | P | A | -0.5998 | |
| 251 | Q | A | -1.0242 | |
| 252 | M | A | -0.5698 | |
| 253 | L | A | 0.0000 | |
| 254 | C | A | -0.7479 | |
| 255 | V | A | 0.0000 | |
| 256 | P | A | -0.8495 | |
| 257 | V | A | 0.0000 | |
| 258 | N | A | -1.5786 | |
| 259 | E | A | -2.0755 | |
| 260 | E | A | -2.6903 | |
| 261 | I | A | -1.6211 | |
| 262 | P | A | -2.1824 | |
| 263 | E | A | -2.5393 | |
| 264 | V | A | 0.0000 | |
| 265 | S | A | -1.7229 | |
| 266 | D | A | -2.0670 | |
| 267 | M | A | -1.2404 | |
| 268 | V | A | 0.0000 | |
| 269 | V | A | 0.3801 | |
| 270 | K | A | -0.7073 | |
| 271 | A | A | 0.0000 | |
| 272 | I | A | 0.0944 | |
| 273 | T | A | 0.0431 | |
| 274 | D | A | 0.0000 | |
| 275 | I | A | 0.0000 | |
| 276 | I | A | -0.1747 | |
| 277 | E | A | -1.0881 | |
| 278 | M | A | 0.0000 | |
| 279 | D | A | -1.0358 | |
| 280 | S | A | -1.0380 | |
| 281 | K | A | -1.5302 | |
| 282 | R | A | -1.6324 | |
| 283 | V | A | 0.0000 | |
| 284 | P | A | 0.0000 | |
| 285 | R | A | -1.9388 | |
| 286 | D | A | -2.0805 | |
| 287 | K | A | 0.0000 | |
| 288 | L | A | 0.0000 | |
| 289 | A | A | -1.1927 | |
| 290 | C | A | 0.0000 | |
| 291 | I | A | 0.0000 | |
| 292 | T | A | -1.2107 | |
| 293 | R | A | -1.4212 | |
| 294 | C | A | 0.0000 | |
| 295 | S | A | 0.0000 | |
| 296 | K | A | -1.5207 | |
| 297 | H | A | -1.2390 | |
| 298 | I | A | 0.0000 | |
| 299 | F | A | -0.8669 | |
| 300 | N | A | -1.5241 | |
| 301 | A | A | 0.0000 | |
| 302 | I | A | 0.0000 | |
| 303 | K | A | -2.5709 | |
| 304 | I | A | -1.5620 | |
| 305 | T | A | -1.8242 | |
| 306 | K | A | -2.5296 | |
| 307 | N | A | -2.9692 | |
| 308 | E | A | -3.2166 | |
| 309 | P | A | -1.9161 | |
| 310 | A | A | -1.5478 | |
| 311 | S | A | -1.0858 | |
| 312 | A | A | -0.8489 | |
| 313 | D | A | -1.7735 | |
| 314 | D | A | -0.9920 | |
| 315 | F | A | 0.0000 | |
| 316 | L | A | -0.1865 | |
| 317 | P | A | 0.0000 | |
| 318 | T | A | 0.0000 | |
| 319 | L | A | 0.0000 | |
| 320 | I | A | 0.0000 | |
| 321 | Y | A | 0.0000 | |
| 322 | I | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | L | A | 0.0000 | |
| 325 | K | A | -1.5957 | |
| 326 | G | A | -0.5367 | |
| 327 | N | A | -1.3843 | |
| 328 | P | A | 0.0000 | |
| 329 | P | A | -0.5495 | |
| 330 | R | A | -1.4149 | |
| 331 | L | A | 0.0000 | |
| 332 | Q | A | -1.3480 | |
| 333 | S | A | 0.0000 | |
| 334 | N | A | 0.0000 | |
| 335 | I | A | 0.0000 | |
| 336 | Q | A | -0.3797 | |
| 337 | Y | A | 0.0000 | |
| 338 | I | A | 0.0000 | |
| 339 | T | A | -0.2509 | |
| 340 | R | A | -0.8100 | |
| 341 | F | A | 0.0000 | |
| 342 | C | A | 0.0000 | |
| 343 | N | A | -0.7839 | |
| 344 | P | A | -0.5482 | |
| 345 | S | A | -0.6982 | |
| 346 | R | A | -0.9903 | |
| 347 | L | A | 0.0000 | |
| 348 | M | A | -0.0267 | |
| 349 | T | A | -0.5422 | |
| 350 | G | A | -1.2994 | |
| 351 | E | A | -1.9017 | |
| 352 | D | A | -1.3896 | |
| 353 | G | A | 0.0000 | |
| 354 | Y | A | -0.1422 | |
| 355 | Y | A | 0.0000 | |
| 356 | F | A | 0.0000 | |
| 357 | T | A | 0.1156 | |
| 358 | N | A | 0.0000 | |
| 359 | L | A | 0.0000 | |
| 360 | C | A | 0.0000 | |
| 361 | C | A | 0.1057 | |
| 362 | A | A | 0.0000 | |
| 363 | V | A | 0.0000 | |
| 364 | A | A | -0.8497 | |
| 365 | F | A | 0.0000 | |
| 366 | I | A | 0.0000 | |
| 367 | E | A | -2.2930 | |
| 368 | K | A | -2.6600 | |
| 369 | L | A | 0.0000 | |
| 370 | D | A | -2.7045 | |
| 371 | A | A | 0.0000 | |
| 372 | Q | A | -2.1913 | |
| 373 | S | A | -1.7995 | |
| 374 | L | A | 0.0000 | |
| 375 | N | A | -2.2860 | |
| 376 | L | A | -1.9073 | |
| 377 | S | A | -2.4861 | |
| 378 | Q | A | -3.5071 | |
| 379 | E | A | -3.6925 | |
| 380 | D | A | -3.1911 | |
| 381 | F | A | 0.0000 | |
| 382 | D | A | -3.7053 | |
| 383 | R | A | -3.6595 | |
| 384 | Y | A | 0.0000 | |
| 385 | M | A | -1.5779 | |
| 386 | S | A | -1.6670 | |
| 387 | G | A | -1.7407 | |
| 388 | Q | A | -2.1902 | |
| 389 | T | A | -2.0401 | |
| 390 | S | A | -1.7998 | |
| 391 | P | A | 0.0000 | |
| 392 | R | A | -2.5124 | |
| 393 | K | A | -3.5143 | |
| 394 | Q | A | -3.5062 | |
| 395 | E | A | -3.6585 | |
| 396 | S | A | -2.7808 | |
| 397 | E | A | -2.6798 | |
| 398 | S | A | -1.1080 | |
| 399 | W | A | -0.3100 | |
| 400 | S | A | -1.0346 | |
| 401 | P | A | -0.9356 | |
| 402 | E | A | -1.8348 | |
| 403 | A | A | -0.2729 | |
| 404 | C | A | 0.9022 | |
| 405 | L | A | 1.3111 | |
| 406 | G | A | 0.5949 | |
| 407 | V | A | 1.1004 | |
| 408 | K | A | -0.1282 | |
| 409 | Q | A | -0.7925 | |
| 410 | M | A | 0.1975 | |
| 411 | Y | A | -0.0322 | |
| 412 | K | A | -1.6134 | |
| 413 | N | A | -0.6458 | |
| 414 | L | A | 0.5057 | |
| 415 | D | A | -1.1577 | |
| 416 | L | A | -0.1042 | |
| 417 | L | A | 0.2893 | |
| 418 | S | A | -1.1243 | |
| 419 | Q | A | -1.9871 | |
| 420 | L | A | -1.4268 | |
| 421 | N | A | -3.1982 | |
| 422 | E | A | -4.1025 | |
| 423 | R | A | -4.0672 | |
| 424 | Q | A | -3.5927 | |
| 425 | E | A | -4.0144 | |
| 426 | R | A | -3.8281 | |
| 427 | I | A | -2.1949 | |
| 428 | M | A | -1.4643 | |
| 429 | T | A | -2.5312 | |
| 430 | E | A | -3.1295 | |
| 431 | A | A | -2.3097 | |
| 432 | K | A | -3.2137 | |
| 433 | K | A | -3.4510 | |
| 434 | L | A | -1.5919 | |
| 435 | E | A | -2.6589 | |
| 436 | K | A | -2.9263 | |
| 437 | D | A | -2.2748 | |
| 438 | L | A | 0.0260 | |
| 439 | I | A | 0.4415 | |
| 440 | D | A | -1.3197 | |
| 441 | W | A | 0.1251 | |
| 442 | T | A | -0.0046 | |
| 443 | D | A | -1.4335 | |
| 444 | G | A | -1.0027 | |
| 445 | I | A | -0.5156 | |
| 446 | A | A | -1.4647 | |
| 447 | K | A | -2.7357 | |
| 448 | E | A | -2.5736 | |
| 449 | V | A | -0.7943 | |
| 450 | Q | A | -2.3286 | |
| 451 | D | A | -2.9742 | |
| 452 | I | A | -0.6935 | |
| 453 | V | A | -0.2768 | |
| 454 | E | A | -2.1987 | |
| 455 | K | A | -1.6318 | |
| 456 | Y | A | 0.2306 | |
| 457 | P | A | 0.1625 | |
| 458 | L | A | 1.0188 | |
| 459 | E | A | -0.5303 | |
| 460 | I | A | 0.6296 | |
| 461 | K | A | -1.4866 | |
| 462 | P | A | -1.4470 | |
| 463 | P | A | -1.3442 | |
| 464 | N | A | -2.1362 | |
| 465 | Q | A | -1.5881 | |
| 466 | P | A | -0.4178 | |
| 467 | L | A | 1.1798 | |
| 468 | A | A | 0.7959 | |
| 469 | A | A | 0.4586 | |
| 470 | I | A | 0.9273 | |
| 471 | D | A | -1.5739 | |
| 472 | S | A | -1.4078 | |
| 473 | E | A | -2.4148 | |
| 474 | N | A | -1.9662 | |
| 475 | V | A | -0.7647 | |
| 476 | E | A | -2.8003 | |
| 477 | N | A | -3.0714 | |
| 478 | D | A | -3.1123 | |
| 479 | K | A | -2.4639 | |
| 480 | L | A | -0.1421 | |
| 481 | P | A | -0.1310 | |
| 482 | P | A | -0.0878 | |
| 483 | P | A | 0.1843 | |
| 484 | L | A | 0.5294 | |
| 485 | Q | A | -0.7765 | |
| 486 | P | A | -0.4587 | |
| 487 | Q | A | -0.1901 | |
| 488 | V | A | 1.6022 | |
| 489 | Y | A | 1.7132 | |
| 490 | A | A | 0.7448 | |
| 491 | G | A | 0.1108 |
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 | -1.033 | 4.7602 | View | CSV | PDB |
| 4.5 | -1.1525 | 4.5795 | View | CSV | PDB |
| 5.0 | -1.3064 | 4.5927 | View | CSV | PDB |
| 5.5 | -1.4637 | 4.6276 | View | CSV | PDB |
| 6.0 | -1.5896 | 4.7024 | View | CSV | PDB |
| 6.5 | -1.6579 | 4.8248 | View | CSV | PDB |
| 7.0 | -1.6643 | 4.9819 | View | CSV | PDB |
| 7.5 | -1.6253 | 5.1558 | View | CSV | PDB |
| 8.0 | -1.5613 | 5.3356 | View | CSV | PDB |
| 8.5 | -1.4825 | 5.5864 | View | CSV | PDB |
| 9.0 | -1.3913 | 5.9343 | View | CSV | PDB |