| Chain sequence(s) |
A: MSRLERLTSLNVVAGSDLRRTSIIGTIGPKTNNPETLVALRKAGLNIVRMNFSHGSYEYHKSVIDNARKSEELYPGRPLAIALDTKGPEIRTGTTTNDVDYPIPPNHEMIFTTDDKYAKACDDKIMYVDYKNITKVISAGRIIYVDDGVLSFQVLEVVDDKTLKVKALNAGKICSHKGVNLPGTDVDLPALSEKDKEDLRFGVKNGVHMVFASFIRTANDVLTIREVLGEQGKDVKIIVKIENQQGVNNFDEILKVTDGVMVARGDLGIEIPAPEVLAVQKKLIAKSNLAGKPVICATQMLESMTYNPRPTRAEVSDVGNAILDGADCVMLSGETAKGNYPINAVTTMAETAVIAEQAIAYLPNYDDMRNCTPKPTSTTETVAASAVAAVFEQKAKAIIVLSTSGTTPRLVSKYRPNCPIILVTRCPRAARFSHLYRGVFPFVFEKEPVSDWTDDVEARINFGIEKAKEFGILKKGDTYVSIQGFKAGAGHSNTLQVSTV
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 (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:53)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/3b670425a471544/tmp/folded.pdb (00:10:53)
[INFO] Main: Simulation completed successfully. (00:15:39)
|
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 | 0.6347 | |
| 2 | S | A | -0.2204 | |
| 3 | R | A | -0.8519 | |
| 4 | L | A | 0.4951 | |
| 5 | E | A | -0.7780 | |
| 6 | R | A | -0.4862 | |
| 7 | L | A | 0.7530 | |
| 8 | T | A | -0.1117 | |
| 9 | S | A | -0.0288 | |
| 10 | L | A | 0.5910 | |
| 11 | N | A | 0.3616 | |
| 12 | V | A | 2.3032 | |
| 13 | V | A | 2.3374 | |
| 14 | A | A | 0.5398 | |
| 15 | G | A | -0.4250 | |
| 16 | S | A | -0.8908 | |
| 17 | D | A | -1.6781 | |
| 18 | L | A | -0.4050 | |
| 19 | R | A | -0.5049 | |
| 20 | R | A | 0.0000 | |
| 21 | T | A | 0.0000 | |
| 22 | S | A | 0.0000 | |
| 23 | I | A | 0.0000 | |
| 24 | I | A | 0.0000 | |
| 25 | G | A | 0.0000 | |
| 26 | T | A | 0.0000 | |
| 27 | I | A | 0.0000 | |
| 28 | G | A | 0.0000 | |
| 29 | P | A | -1.4874 | |
| 30 | K | A | -2.3628 | |
| 31 | T | A | 0.0000 | |
| 32 | N | A | -1.2700 | |
| 33 | N | A | -1.6776 | |
| 34 | P | A | 0.0000 | |
| 35 | E | A | -1.8496 | |
| 36 | T | A | -1.3363 | |
| 37 | L | A | 0.0000 | |
| 38 | V | A | -1.0454 | |
| 39 | A | A | -0.7640 | |
| 40 | L | A | 0.0000 | |
| 41 | R | A | -0.9973 | |
| 42 | K | A | -1.5406 | |
| 43 | A | A | -0.9634 | |
| 44 | G | A | -0.7687 | |
| 45 | L | A | 0.0000 | |
| 46 | N | A | 0.0000 | |
| 47 | I | A | 0.0000 | |
| 48 | V | A | 0.0000 | |
| 49 | R | A | 0.0000 | |
| 50 | M | A | 0.0000 | |
| 51 | N | A | -0.8218 | |
| 52 | F | A | 0.0000 | |
| 53 | S | A | -0.9752 | |
| 54 | H | A | -1.3508 | |
| 55 | G | A | -1.2413 | |
| 56 | S | A | -1.0053 | |
| 57 | Y | A | -0.8645 | |
| 58 | E | A | -1.8743 | |
| 59 | Y | A | -1.0631 | |
| 60 | H | A | 0.0000 | |
| 61 | K | A | -1.5070 | |
| 62 | S | A | -1.3270 | |
| 63 | V | A | 0.0000 | |
| 64 | I | A | 0.0000 | |
| 65 | D | A | -2.0511 | |
| 66 | N | A | -2.2308 | |
| 67 | A | A | 0.0000 | |
| 68 | R | A | -2.4873 | |
| 69 | K | A | -2.7857 | |
| 70 | S | A | 0.0000 | |
| 71 | E | A | -1.5562 | |
| 72 | E | A | -2.0151 | |
| 73 | L | A | -0.3134 | |
| 74 | Y | A | -0.1815 | |
| 75 | P | A | -0.4702 | |
| 76 | G | A | -0.8515 | |
| 77 | R | A | -0.5679 | |
| 78 | P | A | -0.8399 | |
| 79 | L | A | 0.0000 | |
| 80 | A | A | 0.0000 | |
| 81 | I | A | 0.0000 | |
| 82 | A | A | 0.0000 | |
| 83 | L | A | 0.0000 | |
| 84 | D | A | 0.0000 | |
| 85 | T | A | 0.0000 | |
| 86 | K | A | -0.7018 | |
| 87 | G | A | 0.0000 | |
| 88 | P | A | 0.0000 | |
| 89 | E | A | -0.7417 | |
| 90 | I | A | 0.0000 | |
| 91 | R | A | -1.5627 | |
| 92 | T | A | 0.0000 | |
| 93 | G | A | 0.0000 | |
| 94 | T | A | -1.7083 | |
| 95 | T | A | 0.0000 | |
| 96 | T | A | -1.7375 | |
| 97 | N | A | -2.2306 | |
| 98 | D | A | -2.3872 | |
| 99 | V | A | -0.9079 | |
| 100 | D | A | -1.8986 | |
| 101 | Y | A | -1.6153 | |
| 102 | P | A | -1.2652 | |
| 103 | I | A | 0.0000 | |
| 104 | P | A | -1.3061 | |
| 105 | P | A | -1.2102 | |
| 106 | N | A | -1.9954 | |
| 107 | H | A | -2.2267 | |
| 108 | E | A | -2.7239 | |
| 109 | M | A | 0.0000 | |
| 110 | I | A | -0.6945 | |
| 111 | F | A | 0.0000 | |
| 112 | T | A | 0.0000 | |
| 113 | T | A | 0.0000 | |
| 114 | D | A | -2.6490 | |
| 115 | D | A | -3.4313 | |
| 116 | K | A | -2.9041 | |
| 117 | Y | A | -1.8197 | |
| 118 | A | A | -2.1722 | |
| 119 | K | A | -2.7082 | |
| 120 | A | A | -1.7372 | |
| 121 | C | A | 0.0000 | |
| 122 | D | A | -1.9773 | |
| 123 | D | A | -2.6847 | |
| 124 | K | A | -2.4354 | |
| 125 | I | A | -0.9722 | |
| 126 | M | A | 0.0000 | |
| 127 | Y | A | 0.0000 | |
| 128 | V | A | 0.0000 | |
| 129 | D | A | -2.0962 | |
| 130 | Y | A | 0.0000 | |
| 131 | K | A | -2.6954 | |
| 132 | N | A | -2.1182 | |
| 133 | I | A | 0.0000 | |
| 134 | T | A | 0.0000 | |
| 135 | K | A | -2.2529 | |
| 136 | V | A | -1.0517 | |
| 137 | I | A | 0.0000 | |
| 138 | S | A | -0.7683 | |
| 139 | A | A | -0.8741 | |
| 140 | G | A | -1.1176 | |
| 141 | R | A | -1.3401 | |
| 142 | I | A | -0.2362 | |
| 143 | I | A | 0.0000 | |
| 144 | Y | A | 0.0988 | |
| 145 | V | A | 0.0000 | |
| 146 | D | A | -1.2213 | |
| 147 | D | A | -1.6806 | |
| 148 | G | A | -0.2749 | |
| 149 | V | A | 0.8361 | |
| 150 | L | A | 0.0000 | |
| 151 | S | A | 0.2490 | |
| 152 | F | A | 0.0000 | |
| 153 | Q | A | -1.0976 | |
| 154 | V | A | 0.0000 | |
| 155 | L | A | -0.8269 | |
| 156 | E | A | -1.2376 | |
| 157 | V | A | -0.3560 | |
| 158 | V | A | 0.3919 | |
| 159 | D | A | -1.9823 | |
| 160 | D | A | -3.1116 | |
| 161 | K | A | -2.8427 | |
| 162 | T | A | -1.1689 | |
| 163 | L | A | 0.0000 | |
| 164 | K | A | -0.7667 | |
| 165 | V | A | 0.0000 | |
| 166 | K | A | -1.7396 | |
| 167 | A | A | 0.0000 | |
| 168 | L | A | -0.2777 | |
| 169 | N | A | -0.2911 | |
| 170 | A | A | -0.4959 | |
| 171 | G | A | -0.6260 | |
| 172 | K | A | -1.5797 | |
| 173 | I | A | 0.0000 | |
| 174 | C | A | -1.2656 | |
| 175 | S | A | -1.5648 | |
| 176 | H | A | -1.5706 | |
| 177 | K | A | -1.6351 | |
| 178 | G | A | -1.4556 | |
| 179 | V | A | 0.0000 | |
| 180 | N | A | -0.7447 | |
| 181 | L | A | 0.0000 | |
| 182 | P | A | -0.8088 | |
| 183 | G | A | -1.2415 | |
| 184 | T | A | 0.0000 | |
| 185 | D | A | -2.2041 | |
| 186 | V | A | -1.6523 | |
| 187 | D | A | -1.9774 | |
| 188 | L | A | -1.0436 | |
| 189 | P | A | -0.7348 | |
| 190 | A | A | -0.4552 | |
| 191 | L | A | 0.0000 | |
| 192 | S | A | -1.7953 | |
| 193 | E | A | -3.0722 | |
| 194 | K | A | -2.8813 | |
| 195 | D | A | 0.0000 | |
| 196 | K | A | -3.2884 | |
| 197 | E | A | -3.6431 | |
| 198 | D | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | R | A | -3.2539 | |
| 201 | F | A | 0.0000 | |
| 202 | G | A | 0.0000 | |
| 203 | V | A | -2.3580 | |
| 204 | K | A | -2.3784 | |
| 205 | N | A | -1.4850 | |
| 206 | G | A | -1.2999 | |
| 207 | V | A | 0.0000 | |
| 208 | H | A | 0.0000 | |
| 209 | M | A | 0.0000 | |
| 210 | V | A | 0.0000 | |
| 211 | F | A | 0.0000 | |
| 212 | A | A | 0.0000 | |
| 213 | S | A | 0.0000 | |
| 214 | F | A | 0.0539 | |
| 215 | I | A | 0.0000 | |
| 216 | R | A | 0.0000 | |
| 217 | T | A | -0.8310 | |
| 218 | A | A | -1.0192 | |
| 219 | N | A | -0.9363 | |
| 220 | D | A | 0.0000 | |
| 221 | V | A | 0.0000 | |
| 222 | L | A | 0.1276 | |
| 223 | T | A | -0.7744 | |
| 224 | I | A | 0.0000 | |
| 225 | R | A | -1.7299 | |
| 226 | E | A | -2.3015 | |
| 227 | V | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | G | A | -2.9461 | |
| 230 | E | A | -3.5747 | |
| 231 | Q | A | -3.2828 | |
| 232 | G | A | 0.0000 | |
| 233 | K | A | -3.6907 | |
| 234 | D | A | -2.9200 | |
| 235 | V | A | 0.0000 | |
| 236 | K | A | -0.9893 | |
| 237 | I | A | 0.0000 | |
| 238 | I | A | 0.0000 | |
| 239 | V | A | 0.0000 | |
| 240 | K | A | 0.0000 | |
| 241 | I | A | 0.0000 | |
| 242 | E | A | 0.0000 | |
| 243 | N | A | -1.0660 | |
| 244 | Q | A | -1.5913 | |
| 245 | Q | A | -1.4916 | |
| 246 | G | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | N | A | -2.0422 | |
| 249 | N | A | -1.7914 | |
| 250 | F | A | 0.0000 | |
| 251 | D | A | -2.8084 | |
| 252 | E | A | -2.4732 | |
| 253 | I | A | 0.0000 | |
| 254 | L | A | 0.0000 | |
| 255 | K | A | -2.0790 | |
| 256 | V | A | -0.4959 | |
| 257 | T | A | 0.0000 | |
| 258 | D | A | -0.4884 | |
| 259 | G | A | 0.0000 | |
| 260 | V | A | 0.0000 | |
| 261 | M | A | 0.0000 | |
| 262 | V | A | 0.0000 | |
| 263 | A | A | 0.0000 | |
| 264 | R | A | -0.4854 | |
| 265 | G | A | -1.0303 | |
| 266 | D | A | -1.0535 | |
| 267 | L | A | 0.0000 | |
| 268 | G | A | -0.8486 | |
| 269 | I | A | -0.5764 | |
| 270 | E | A | -0.8930 | |
| 271 | I | A | 0.0000 | |
| 272 | P | A | -0.6161 | |
| 273 | A | A | -0.3902 | |
| 274 | P | A | -0.4975 | |
| 275 | E | A | -1.0267 | |
| 276 | V | A | 0.0000 | |
| 277 | L | A | 0.5113 | |
| 278 | A | A | -0.4536 | |
| 279 | V | A | 0.0000 | |
| 280 | Q | A | 0.0000 | |
| 281 | K | A | -1.7238 | |
| 282 | K | A | -1.8744 | |
| 283 | L | A | 0.0000 | |
| 284 | I | A | 0.0000 | |
| 285 | A | A | -1.0603 | |
| 286 | K | A | -1.3558 | |
| 287 | S | A | 0.0000 | |
| 288 | N | A | 0.0000 | |
| 289 | L | A | 0.0119 | |
| 290 | A | A | -0.4691 | |
| 291 | G | A | 0.0000 | |
| 292 | K | A | -0.5399 | |
| 293 | P | A | 0.0000 | |
| 294 | V | A | 0.0000 | |
| 295 | I | A | 0.0000 | |
| 296 | C | A | 0.0000 | |
| 297 | A | A | 0.0000 | |
| 298 | T | A | -1.0705 | |
| 299 | Q | A | -1.9701 | |
| 300 | M | A | 0.0000 | |
| 301 | L | A | 0.0000 | |
| 302 | E | A | -2.0467 | |
| 303 | S | A | -1.2987 | |
| 304 | M | A | 0.0000 | |
| 305 | T | A | 0.0000 | |
| 306 | Y | A | -0.1334 | |
| 307 | N | A | -1.3267 | |
| 308 | P | A | -1.2956 | |
| 309 | R | A | -2.2648 | |
| 310 | P | A | -1.7991 | |
| 311 | T | A | -1.7163 | |
| 312 | R | A | -2.1250 | |
| 313 | A | A | -1.0444 | |
| 314 | E | A | -1.4697 | |
| 315 | V | A | -1.1440 | |
| 316 | S | A | -1.0662 | |
| 317 | D | A | -1.2338 | |
| 318 | V | A | 0.0000 | |
| 319 | G | A | -0.5230 | |
| 320 | N | A | -1.1802 | |
| 321 | A | A | 0.0000 | |
| 322 | I | A | 0.0000 | |
| 323 | L | A | 0.0162 | |
| 324 | D | A | -0.8526 | |
| 325 | G | A | -0.3607 | |
| 326 | A | A | 0.0000 | |
| 327 | D | A | 0.0000 | |
| 328 | C | A | 0.0000 | |
| 329 | V | A | 0.0000 | |
| 330 | M | A | 0.0000 | |
| 331 | L | A | 0.0000 | |
| 332 | S | A | -0.8451 | |
| 333 | G | A | -1.1253 | |
| 334 | E | A | 0.0000 | |
| 335 | T | A | 0.0000 | |
| 336 | A | A | -1.4081 | |
| 337 | K | A | -2.1450 | |
| 338 | G | A | 0.0000 | |
| 339 | N | A | -1.4295 | |
| 340 | Y | A | -0.7137 | |
| 341 | P | A | -0.3575 | |
| 342 | I | A | 0.1446 | |
| 343 | N | A | -0.7154 | |
| 344 | A | A | 0.0000 | |
| 345 | V | A | 0.0000 | |
| 346 | T | A | -0.6762 | |
| 347 | T | A | -0.8816 | |
| 348 | M | A | 0.0000 | |
| 349 | A | A | -0.6607 | |
| 350 | E | A | -1.4768 | |
| 351 | T | A | 0.0000 | |
| 352 | A | A | 0.0000 | |
| 353 | V | A | -0.2209 | |
| 354 | I | A | 0.7413 | |
| 355 | A | A | 0.0000 | |
| 356 | E | A | 0.0000 | |
| 357 | Q | A | 0.2848 | |
| 358 | A | A | 0.3997 | |
| 359 | I | A | 0.0000 | |
| 360 | A | A | 0.0000 | |
| 361 | Y | A | 0.0000 | |
| 362 | L | A | 0.0245 | |
| 363 | P | A | -0.9524 | |
| 364 | N | A | -1.5714 | |
| 365 | Y | A | 0.0000 | |
| 366 | D | A | -2.4393 | |
| 367 | D | A | -2.2194 | |
| 368 | M | A | 0.0000 | |
| 369 | R | A | -2.6029 | |
| 370 | N | A | -2.4701 | |
| 371 | C | A | -0.8700 | |
| 372 | T | A | 0.0000 | |
| 373 | P | A | -1.2763 | |
| 374 | K | A | -2.2019 | |
| 375 | P | A | -1.4325 | |
| 376 | T | A | -0.9958 | |
| 377 | S | A | -0.7413 | |
| 378 | T | A | -0.5765 | |
| 379 | T | A | -0.5661 | |
| 380 | E | A | -0.3935 | |
| 381 | T | A | -0.6001 | |
| 382 | V | A | -0.0417 | |
| 383 | A | A | 0.0000 | |
| 384 | A | A | 0.0000 | |
| 385 | S | A | -0.0772 | |
| 386 | A | A | 0.0000 | |
| 387 | V | A | 0.0000 | |
| 388 | A | A | -0.8967 | |
| 389 | A | A | -1.1285 | |
| 390 | V | A | 0.0000 | |
| 391 | F | A | -1.6581 | |
| 392 | E | A | -2.7353 | |
| 393 | Q | A | -2.7054 | |
| 394 | K | A | -3.0405 | |
| 395 | A | A | 0.0000 | |
| 396 | K | A | -1.8337 | |
| 397 | A | A | 0.0000 | |
| 398 | I | A | 0.0000 | |
| 399 | I | A | 0.0000 | |
| 400 | V | A | 0.0000 | |
| 401 | L | A | 0.0000 | |
| 402 | S | A | -0.3383 | |
| 403 | T | A | -0.5151 | |
| 404 | S | A | -0.6475 | |
| 405 | G | A | 0.0000 | |
| 406 | T | A | -0.2342 | |
| 407 | T | A | 0.0000 | |
| 408 | P | A | 0.0000 | |
| 409 | R | A | -0.2287 | |
| 410 | L | A | -0.0211 | |
| 411 | V | A | 0.0000 | |
| 412 | S | A | 0.0000 | |
| 413 | K | A | 0.0000 | |
| 414 | Y | A | 0.0000 | |
| 415 | R | A | 0.0000 | |
| 416 | P | A | 0.0000 | |
| 417 | N | A | -0.9998 | |
| 418 | C | A | 0.0000 | |
| 419 | P | A | 0.0000 | |
| 420 | I | A | 0.0000 | |
| 421 | I | A | 0.0000 | |
| 422 | L | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | T | A | 0.0000 | |
| 425 | R | A | -1.4532 | |
| 426 | C | A | -0.7929 | |
| 427 | P | A | -0.9836 | |
| 428 | R | A | -1.5600 | |
| 429 | A | A | 0.0000 | |
| 430 | A | A | 0.0000 | |
| 431 | R | A | -0.6938 | |
| 432 | F | A | 0.0000 | |
| 433 | S | A | 0.0000 | |
| 434 | H | A | 0.0000 | |
| 435 | L | A | 0.0000 | |
| 436 | Y | A | 0.0000 | |
| 437 | R | A | 0.0000 | |
| 438 | G | A | 0.0000 | |
| 439 | V | A | 0.0000 | |
| 440 | F | A | 0.0000 | |
| 441 | P | A | 0.0000 | |
| 442 | F | A | 0.0000 | |
| 443 | V | A | -0.6740 | |
| 444 | F | A | 0.0000 | |
| 445 | E | A | -2.8363 | |
| 446 | K | A | -2.8391 | |
| 447 | E | A | -2.8414 | |
| 448 | P | A | -1.8530 | |
| 449 | V | A | -1.1329 | |
| 450 | S | A | -1.2382 | |
| 451 | D | A | -2.0556 | |
| 452 | W | A | -1.4561 | |
| 453 | T | A | -1.7495 | |
| 454 | D | A | -2.8436 | |
| 455 | D | A | 0.0000 | |
| 456 | V | A | 0.0000 | |
| 457 | E | A | -2.7899 | |
| 458 | A | A | -1.8430 | |
| 459 | R | A | -1.8613 | |
| 460 | I | A | 0.0000 | |
| 461 | N | A | -2.1341 | |
| 462 | F | A | -1.4393 | |
| 463 | G | A | 0.0000 | |
| 464 | I | A | -1.8352 | |
| 465 | E | A | -3.1728 | |
| 466 | K | A | -2.3392 | |
| 467 | A | A | 0.0000 | |
| 468 | K | A | -3.2793 | |
| 469 | E | A | -3.0318 | |
| 470 | F | A | -1.1603 | |
| 471 | G | A | -1.7749 | |
| 472 | I | A | -1.4684 | |
| 473 | L | A | 0.0000 | |
| 474 | K | A | -3.5019 | |
| 475 | K | A | -2.8676 | |
| 476 | G | A | -1.7589 | |
| 477 | D | A | -1.9428 | |
| 478 | T | A | -1.3067 | |
| 479 | Y | A | 0.0000 | |
| 480 | V | A | 0.0000 | |
| 481 | S | A | 0.0000 | |
| 482 | I | A | 0.0000 | |
| 483 | Q | A | 0.0000 | |
| 484 | G | A | -0.3384 | |
| 485 | F | A | 0.4961 | |
| 486 | K | A | -1.2386 | |
| 487 | A | A | -0.9337 | |
| 488 | G | A | -0.8948 | |
| 489 | A | A | -0.8135 | |
| 490 | G | A | -1.1485 | |
| 491 | H | A | -1.1262 | |
| 492 | S | A | -0.6783 | |
| 493 | N | A | -0.7039 | |
| 494 | T | A | -0.2140 | |
| 495 | L | A | 0.1448 | |
| 496 | Q | A | -0.5122 | |
| 497 | V | A | 0.2393 | |
| 498 | S | A | -0.0544 | |
| 499 | T | A | -0.6126 | |
| 500 | V | A | -1.4363 |
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 | -0.5611 | 3.0622 | View | CSV | PDB |
| 4.5 | -0.6306 | 2.9752 | View | CSV | PDB |
| 5.0 | -0.7152 | 2.8427 | View | CSV | PDB |
| 5.5 | -0.7995 | 2.6862 | View | CSV | PDB |
| 6.0 | -0.8663 | 2.5304 | View | CSV | PDB |
| 6.5 | -0.9032 | 2.4001 | View | CSV | PDB |
| 7.0 | -0.9094 | 2.3331 | View | CSV | PDB |
| 7.5 | -0.8946 | 2.3331 | View | CSV | PDB |
| 8.0 | -0.8679 | 2.5209 | View | CSV | PDB |
| 8.5 | -0.8319 | 2.761 | View | CSV | PDB |
| 9.0 | -0.785 | 3.0011 | View | CSV | PDB |