| Chain sequence(s) |
A: EWIKFAAACREGEDNSKRNPIAKIHSDCAANQQVTYRISGVGIDQPPYGIFVINQKTGEINITSIVDREVTPFFIIYCRALNSMGQDLERPLELRVRVLDINDNPPVFSMATFAGQIEENSNANTLVMILNATDADEPNNLNSKIAFKIIRQEPSDSPMFIINRNTGEIRTMNNFLDREQYGQYALAVRGSDRDGGADGMSAECECNIKILDVNDNIPYMEQSSYTIEIQENTLNSNLLEIRVIDLDEEFSANWMAVIFFISGNEGNWFEIEMNERTNVGILKVVKPLDYEAMQSLQLSIGVRNKAEFHHSIMSQYKLKASAISVTVLNVIEGPVFRPGSKTYVVTGNMGSNDKVGDFVATDLDTGRPSTTVRYVMGNNPADLLAVDSRTGKLTLKNKVTKEQYNMLGGKYQGTILSIDDNLQRTCTGTININIQSFGNDDRTNTEPNTKITTNTGRQESTSSTNYDTSTTSTDSSQVYSSEPGNGAKDLLSDNVH
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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:01)
[INFO] FoldX: Starting FoldX energy minimization (00:00:01)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:07:46)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/766ae61025bd6d/tmp/folded.pdb (00:07:46)
[INFO] Main: Simulation completed successfully. (00:10:17)
|
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 | E | A | -1.8399 | |
| 2 | W | A | 0.3429 | |
| 3 | I | A | 1.3500 | |
| 4 | K | A | 0.5227 | |
| 5 | F | A | 1.7004 | |
| 6 | A | A | 0.2482 | |
| 7 | A | A | -0.4559 | |
| 8 | A | A | -0.7348 | |
| 9 | C | A | 0.0000 | |
| 10 | R | A | -1.5730 | |
| 11 | E | A | 0.0000 | |
| 12 | G | A | -1.5565 | |
| 13 | E | A | -2.2564 | |
| 14 | D | A | -2.5832 | |
| 15 | N | A | 0.0000 | |
| 16 | S | A | -1.9181 | |
| 17 | K | A | -2.9377 | |
| 18 | R | A | -2.3227 | |
| 19 | N | A | -1.6579 | |
| 20 | P | A | -1.1752 | |
| 21 | I | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | K | A | -0.3043 | |
| 24 | I | A | 0.0000 | |
| 25 | H | A | -1.4760 | |
| 26 | S | A | 0.0000 | |
| 27 | D | A | -2.5794 | |
| 28 | C | A | -1.5303 | |
| 29 | A | A | -1.3166 | |
| 30 | A | A | -1.2345 | |
| 31 | N | A | -1.8648 | |
| 32 | Q | A | -1.7284 | |
| 33 | Q | A | -1.7956 | |
| 34 | V | A | -1.7433 | |
| 35 | T | A | -1.8066 | |
| 36 | Y | A | 0.0000 | |
| 37 | R | A | -1.7132 | |
| 38 | I | A | -0.6672 | |
| 39 | S | A | -0.6109 | |
| 40 | G | A | 0.0000 | |
| 41 | V | A | -0.0743 | |
| 42 | G | A | 0.0000 | |
| 43 | I | A | -0.0679 | |
| 44 | D | A | -1.9104 | |
| 45 | Q | A | -1.6522 | |
| 46 | P | A | -0.6376 | |
| 47 | P | A | 0.0100 | |
| 48 | Y | A | 0.2307 | |
| 49 | G | A | 0.0611 | |
| 50 | I | A | 0.0000 | |
| 51 | F | A | 0.0000 | |
| 52 | V | A | 1.0203 | |
| 53 | I | A | -0.5118 | |
| 54 | N | A | -1.8626 | |
| 55 | Q | A | -2.3931 | |
| 56 | K | A | -2.8667 | |
| 57 | T | A | -1.6585 | |
| 58 | G | A | 0.0000 | |
| 59 | E | A | -1.2747 | |
| 60 | I | A | 0.0000 | |
| 61 | N | A | -0.5931 | |
| 62 | I | A | 0.0000 | |
| 63 | T | A | -0.0975 | |
| 64 | S | A | 0.1422 | |
| 65 | I | A | 0.5337 | |
| 66 | V | A | 0.0000 | |
| 67 | D | A | -1.1674 | |
| 68 | R | A | 0.0000 | |
| 69 | E | A | -1.5546 | |
| 70 | V | A | 0.5051 | |
| 71 | T | A | -0.0850 | |
| 72 | P | A | -0.6261 | |
| 73 | F | A | -0.3532 | |
| 74 | F | A | 0.0000 | |
| 75 | I | A | -0.4139 | |
| 76 | I | A | 0.0000 | |
| 77 | Y | A | -0.2187 | |
| 78 | C | A | 0.0000 | |
| 79 | R | A | -2.2754 | |
| 80 | A | A | -2.2257 | |
| 81 | L | A | -1.5717 | |
| 82 | N | A | -0.9486 | |
| 83 | S | A | -0.4876 | |
| 84 | M | A | 0.2156 | |
| 85 | G | A | -0.8789 | |
| 86 | Q | A | -1.8648 | |
| 87 | D | A | -2.5742 | |
| 88 | L | A | -2.0339 | |
| 89 | E | A | -3.2971 | |
| 90 | R | A | -3.1309 | |
| 91 | P | A | -1.9343 | |
| 92 | L | A | -1.4097 | |
| 93 | E | A | -1.8954 | |
| 94 | L | A | 0.0000 | |
| 95 | R | A | -1.9898 | |
| 96 | V | A | 0.0000 | |
| 97 | R | A | -1.9820 | |
| 98 | V | A | 0.0000 | |
| 99 | L | A | -0.6691 | |
| 100 | D | A | 0.0000 | |
| 101 | I | A | -0.9425 | |
| 102 | N | A | -1.3921 | |
| 103 | D | A | -2.0687 | |
| 104 | N | A | -1.4218 | |
| 105 | P | A | -0.3525 | |
| 106 | P | A | 0.0000 | |
| 107 | V | A | 1.3681 | |
| 108 | F | A | 0.4684 | |
| 109 | S | A | 0.4267 | |
| 110 | M | A | 0.9479 | |
| 111 | A | A | 0.2171 | |
| 112 | T | A | -0.3961 | |
| 113 | F | A | 0.0000 | |
| 114 | A | A | -0.6159 | |
| 115 | G | A | -0.9802 | |
| 116 | Q | A | -2.0867 | |
| 117 | I | A | 0.0000 | |
| 118 | E | A | -2.2602 | |
| 119 | E | A | 0.0000 | |
| 120 | N | A | -1.4605 | |
| 121 | S | A | -1.5359 | |
| 122 | N | A | -1.9077 | |
| 123 | A | A | -1.1507 | |
| 124 | N | A | -1.4629 | |
| 125 | T | A | -0.9739 | |
| 126 | L | A | 0.2019 | |
| 127 | V | A | -0.1746 | |
| 128 | M | A | 0.0000 | |
| 129 | I | A | 0.7019 | |
| 130 | L | A | 0.0000 | |
| 131 | N | A | -0.6382 | |
| 132 | A | A | 0.1096 | |
| 133 | T | A | -0.0486 | |
| 134 | D | A | -0.4799 | |
| 135 | A | A | -0.9824 | |
| 136 | D | A | 0.0000 | |
| 137 | E | A | -1.9188 | |
| 138 | P | A | -1.5971 | |
| 139 | N | A | -1.8974 | |
| 140 | N | A | -1.4096 | |
| 141 | L | A | -0.4373 | |
| 142 | N | A | 0.0000 | |
| 143 | S | A | -1.3011 | |
| 144 | K | A | -1.7708 | |
| 145 | I | A | -1.0310 | |
| 146 | A | A | 0.0000 | |
| 147 | F | A | 0.0000 | |
| 148 | K | A | -2.4256 | |
| 149 | I | A | -0.8592 | |
| 150 | I | A | 0.0819 | |
| 151 | R | A | -1.0191 | |
| 152 | Q | A | -1.4327 | |
| 153 | E | A | -2.4790 | |
| 154 | P | A | -1.8881 | |
| 155 | S | A | -1.9644 | |
| 156 | D | A | -2.2746 | |
| 157 | S | A | -1.0801 | |
| 158 | P | A | -0.7351 | |
| 159 | M | A | -0.0473 | |
| 160 | F | A | 0.0000 | |
| 161 | I | A | -0.0063 | |
| 162 | I | A | -0.8109 | |
| 163 | N | A | -2.1576 | |
| 164 | R | A | -3.3320 | |
| 165 | N | A | -2.8169 | |
| 166 | T | A | -1.4205 | |
| 167 | G | A | 0.0000 | |
| 168 | E | A | -0.5728 | |
| 169 | I | A | 0.0000 | |
| 170 | R | A | -0.4029 | |
| 171 | T | A | 0.0000 | |
| 172 | M | A | 0.1743 | |
| 173 | N | A | -0.4009 | |
| 174 | N | A | -1.0105 | |
| 175 | F | A | 0.7826 | |
| 176 | L | A | 0.0000 | |
| 177 | D | A | -2.3297 | |
| 178 | R | A | -2.3425 | |
| 179 | E | A | -2.4530 | |
| 180 | Q | A | -2.4211 | |
| 181 | Y | A | -1.8550 | |
| 182 | G | A | -2.0770 | |
| 183 | Q | A | -2.4810 | |
| 184 | Y | A | 0.0000 | |
| 185 | A | A | -1.6443 | |
| 186 | L | A | 0.0000 | |
| 187 | A | A | 0.0000 | |
| 188 | V | A | 0.0000 | |
| 189 | R | A | -2.0515 | |
| 190 | G | A | 0.0000 | |
| 191 | S | A | 0.0000 | |
| 192 | D | A | 0.0000 | |
| 193 | R | A | -1.1798 | |
| 194 | D | A | -1.6586 | |
| 195 | G | A | -1.5522 | |
| 196 | G | A | -1.1107 | |
| 197 | A | A | -1.0599 | |
| 198 | D | A | -2.0196 | |
| 199 | G | A | -1.4965 | |
| 200 | M | A | -0.7821 | |
| 201 | S | A | -0.6275 | |
| 202 | A | A | -0.6183 | |
| 203 | E | A | -2.0286 | |
| 204 | C | A | 0.0000 | |
| 205 | E | A | -1.4598 | |
| 206 | C | A | 0.0000 | |
| 207 | N | A | -1.8896 | |
| 208 | I | A | 0.0000 | |
| 209 | K | A | -2.5202 | |
| 210 | I | A | 0.0000 | |
| 211 | L | A | -1.5770 | |
| 212 | D | A | -1.6343 | |
| 213 | V | A | -1.1927 | |
| 214 | N | A | 0.0000 | |
| 215 | D | A | -0.7332 | |
| 216 | N | A | 0.1208 | |
| 217 | I | A | 0.4985 | |
| 218 | P | A | 0.0000 | |
| 219 | Y | A | 0.0405 | |
| 220 | M | A | 0.0000 | |
| 221 | E | A | -2.4562 | |
| 222 | Q | A | -2.2613 | |
| 223 | S | A | -1.3664 | |
| 224 | S | A | -0.8544 | |
| 225 | Y | A | -0.3970 | |
| 226 | T | A | -0.4614 | |
| 227 | I | A | -0.6357 | |
| 228 | E | A | -1.9047 | |
| 229 | I | A | 0.0000 | |
| 230 | Q | A | -1.6810 | |
| 231 | E | A | 0.0000 | |
| 232 | N | A | -1.8500 | |
| 233 | T | A | -0.6519 | |
| 234 | L | A | 0.3791 | |
| 235 | N | A | -0.5196 | |
| 236 | S | A | -0.9715 | |
| 237 | N | A | -1.7389 | |
| 238 | L | A | -0.9319 | |
| 239 | L | A | -1.0047 | |
| 240 | E | A | -2.1781 | |
| 241 | I | A | 0.0000 | |
| 242 | R | A | -1.9191 | |
| 243 | V | A | 0.0000 | |
| 244 | I | A | 0.3482 | |
| 245 | D | A | 0.0000 | |
| 246 | L | A | 0.4222 | |
| 247 | D | A | 0.0000 | |
| 248 | E | A | -1.6200 | |
| 249 | E | A | -2.1278 | |
| 250 | F | A | -1.0810 | |
| 251 | S | A | -1.1307 | |
| 252 | A | A | -1.1927 | |
| 253 | N | A | -1.2770 | |
| 254 | W | A | 0.0000 | |
| 255 | M | A | -1.5189 | |
| 256 | A | A | 0.0000 | |
| 257 | V | A | -0.6210 | |
| 258 | I | A | 0.0000 | |
| 259 | F | A | 0.4492 | |
| 260 | F | A | 0.5383 | |
| 261 | I | A | 1.2523 | |
| 262 | S | A | -0.0529 | |
| 263 | G | A | -0.9393 | |
| 264 | N | A | -1.6035 | |
| 265 | E | A | -2.2388 | |
| 266 | G | A | -1.9843 | |
| 267 | N | A | -2.4277 | |
| 268 | W | A | -1.5165 | |
| 269 | F | A | 0.0000 | |
| 270 | E | A | -2.1430 | |
| 271 | I | A | 0.0000 | |
| 272 | E | A | -2.5118 | |
| 273 | M | A | -1.9050 | |
| 274 | N | A | -2.3624 | |
| 275 | E | A | -3.0970 | |
| 276 | R | A | -2.8635 | |
| 277 | T | A | -1.7446 | |
| 278 | N | A | 0.0000 | |
| 279 | V | A | -1.5197 | |
| 280 | G | A | 0.0000 | |
| 281 | I | A | -1.7387 | |
| 282 | L | A | 0.0000 | |
| 283 | K | A | -1.4823 | |
| 284 | V | A | 0.0000 | |
| 285 | V | A | -0.5061 | |
| 286 | K | A | -1.9082 | |
| 287 | P | A | -1.4446 | |
| 288 | L | A | 0.0000 | |
| 289 | D | A | -2.5039 | |
| 290 | Y | A | -1.8794 | |
| 291 | E | A | -2.4801 | |
| 292 | A | A | -1.2439 | |
| 293 | M | A | -0.9567 | |
| 294 | Q | A | -1.4705 | |
| 295 | S | A | -0.8954 | |
| 296 | L | A | -0.7477 | |
| 297 | Q | A | -1.2730 | |
| 298 | L | A | 0.0000 | |
| 299 | S | A | -0.0264 | |
| 300 | I | A | 0.0000 | |
| 301 | G | A | 0.0000 | |
| 302 | V | A | 0.0000 | |
| 303 | R | A | -1.2324 | |
| 304 | N | A | 0.0000 | |
| 305 | K | A | -2.3757 | |
| 306 | A | A | -1.8398 | |
| 307 | E | A | -2.5384 | |
| 308 | F | A | 0.0000 | |
| 309 | H | A | -1.3398 | |
| 310 | H | A | -1.4460 | |
| 311 | S | A | -0.8898 | |
| 312 | I | A | -0.6639 | |
| 313 | M | A | -0.7274 | |
| 314 | S | A | -0.9208 | |
| 315 | Q | A | -1.3873 | |
| 316 | Y | A | -1.1561 | |
| 317 | K | A | -1.9713 | |
| 318 | L | A | -1.0943 | |
| 319 | K | A | -1.8669 | |
| 320 | A | A | -0.5345 | |
| 321 | S | A | 0.0000 | |
| 322 | A | A | -0.4178 | |
| 323 | I | A | 0.0000 | |
| 324 | S | A | -0.7582 | |
| 325 | V | A | 0.0000 | |
| 326 | T | A | -1.2377 | |
| 327 | V | A | 0.0000 | |
| 328 | L | A | -0.8570 | |
| 329 | N | A | -0.9607 | |
| 330 | V | A | 0.7361 | |
| 331 | I | A | 1.8154 | |
| 332 | E | A | -0.0288 | |
| 333 | G | A | 0.0000 | |
| 334 | P | A | 0.0000 | |
| 335 | V | A | 0.0000 | |
| 336 | F | A | 0.0000 | |
| 337 | R | A | -2.2137 | |
| 338 | P | A | -1.7303 | |
| 339 | G | A | -1.8227 | |
| 340 | S | A | -1.3129 | |
| 341 | K | A | -1.4187 | |
| 342 | T | A | -0.4486 | |
| 343 | Y | A | 0.3434 | |
| 344 | V | A | 0.9023 | |
| 345 | V | A | 0.0000 | |
| 346 | T | A | -0.6912 | |
| 347 | G | A | -1.3905 | |
| 348 | N | A | -1.7431 | |
| 349 | M | A | -1.7497 | |
| 350 | G | A | -2.3047 | |
| 351 | S | A | -2.4169 | |
| 352 | N | A | -2.7938 | |
| 353 | D | A | -2.8802 | |
| 354 | K | A | -2.6781 | |
| 355 | V | A | -0.9536 | |
| 356 | G | A | -0.9971 | |
| 357 | D | A | -1.3402 | |
| 358 | F | A | 0.0000 | |
| 359 | V | A | -0.7245 | |
| 360 | A | A | 0.0000 | |
| 361 | T | A | -1.3632 | |
| 362 | D | A | -1.3276 | |
| 363 | L | A | -1.2940 | |
| 364 | D | A | -1.3022 | |
| 365 | T | A | -1.4748 | |
| 366 | G | A | -1.8865 | |
| 367 | R | A | -2.3053 | |
| 368 | P | A | -1.1604 | |
| 369 | S | A | -1.1504 | |
| 370 | T | A | -0.8913 | |
| 371 | T | A | -1.0707 | |
| 372 | V | A | 0.0000 | |
| 373 | R | A | -1.6419 | |
| 374 | Y | A | 0.0000 | |
| 375 | V | A | 0.1906 | |
| 376 | M | A | -0.1106 | |
| 377 | G | A | -0.5621 | |
| 378 | N | A | -1.7757 | |
| 379 | N | A | -1.6924 | |
| 380 | P | A | -1.1957 | |
| 381 | A | A | -1.0567 | |
| 382 | D | A | -2.2347 | |
| 383 | L | A | 0.0000 | |
| 384 | L | A | 0.0000 | |
| 385 | A | A | -0.9580 | |
| 386 | V | A | -0.6528 | |
| 387 | D | A | -1.1671 | |
| 388 | S | A | -1.3283 | |
| 389 | R | A | -2.3072 | |
| 390 | T | A | -1.4937 | |
| 391 | G | A | 0.0000 | |
| 392 | K | A | -1.5796 | |
| 393 | L | A | 0.0000 | |
| 394 | T | A | -1.9292 | |
| 395 | L | A | 0.0000 | |
| 396 | K | A | -2.6057 | |
| 397 | N | A | -2.4740 | |
| 398 | K | A | -2.9156 | |
| 399 | V | A | 0.0000 | |
| 400 | T | A | -1.9847 | |
| 401 | K | A | -2.8762 | |
| 402 | E | A | -2.8172 | |
| 403 | Q | A | -1.8981 | |
| 404 | Y | A | -1.8010 | |
| 405 | N | A | -2.1014 | |
| 406 | M | A | -0.5706 | |
| 407 | L | A | -1.1384 | |
| 408 | G | A | -1.2811 | |
| 409 | G | A | -1.6433 | |
| 410 | K | A | -2.2582 | |
| 411 | Y | A | 0.0000 | |
| 412 | Q | A | -2.0029 | |
| 413 | G | A | 0.0000 | |
| 414 | T | A | -0.7155 | |
| 415 | I | A | 0.0000 | |
| 416 | L | A | 0.3466 | |
| 417 | S | A | 0.0000 | |
| 418 | I | A | -1.0993 | |
| 419 | D | A | 0.0000 | |
| 420 | D | A | -3.1438 | |
| 421 | N | A | -2.5664 | |
| 422 | L | A | -1.6748 | |
| 423 | Q | A | -2.7080 | |
| 424 | R | A | -2.3181 | |
| 425 | T | A | -1.0491 | |
| 426 | C | A | -0.3105 | |
| 427 | T | A | 0.0392 | |
| 428 | G | A | 0.0000 | |
| 429 | T | A | -0.8662 | |
| 430 | I | A | 0.0000 | |
| 431 | N | A | -1.1925 | |
| 432 | I | A | 0.0000 | |
| 433 | N | A | -1.0739 | |
| 434 | I | A | 0.0000 | |
| 435 | Q | A | -1.2248 | |
| 436 | S | A | -1.0091 | |
| 437 | F | A | -1.2150 | |
| 438 | G | A | -1.9744 | |
| 439 | N | A | -3.1218 | |
| 440 | D | A | -3.9047 | |
| 441 | D | A | -4.1746 | |
| 442 | R | A | -3.8025 | |
| 443 | T | A | -2.4953 | |
| 444 | N | A | -2.4766 | |
| 445 | T | A | -1.9226 | |
| 446 | E | A | -2.6166 | |
| 447 | P | A | -2.0041 | |
| 448 | N | A | -2.2490 | |
| 449 | T | A | -1.3930 | |
| 450 | K | A | -1.0758 | |
| 451 | I | A | 1.1391 | |
| 452 | T | A | 0.3555 | |
| 453 | T | A | -0.3306 | |
| 454 | N | A | -1.4617 | |
| 455 | T | A | -1.3364 | |
| 456 | G | A | -1.9063 | |
| 457 | R | A | -3.0544 | |
| 458 | Q | A | -3.1929 | |
| 459 | E | A | -2.9858 | |
| 460 | S | A | -1.5850 | |
| 461 | T | A | -0.7100 | |
| 462 | S | A | -0.4129 | |
| 463 | S | A | -0.6456 | |
| 464 | T | A | -0.5670 | |
| 465 | N | A | -1.0720 | |
| 466 | Y | A | -0.2332 | |
| 467 | D | A | -1.5147 | |
| 468 | T | A | -0.8290 | |
| 469 | S | A | -0.6925 | |
| 470 | T | A | -0.2754 | |
| 471 | T | A | -0.2766 | |
| 472 | S | A | -0.6757 | |
| 473 | T | A | -1.2241 | |
| 474 | D | A | -2.0183 | |
| 475 | S | A | -1.4570 | |
| 476 | S | A | -0.8929 | |
| 477 | Q | A | -0.1982 | |
| 478 | V | A | 1.7405 | |
| 479 | Y | A | 1.7605 | |
| 480 | S | A | 0.3315 | |
| 481 | S | A | -1.0093 | |
| 482 | E | A | -2.3344 | |
| 483 | P | A | -1.7568 | |
| 484 | G | A | -1.7847 | |
| 485 | N | A | -2.1458 | |
| 486 | G | A | -1.8360 | |
| 487 | A | A | -1.6161 | |
| 488 | K | A | -2.2277 | |
| 489 | D | A | -1.5106 | |
| 490 | L | A | 0.7265 | |
| 491 | L | A | 0.8763 | |
| 492 | S | A | -0.2269 | |
| 493 | D | A | -1.5835 | |
| 494 | N | A | -1.4358 | |
| 495 | V | A | -0.0536 | |
| 496 | H | A | -0.8954 |
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 | -0.7187 | 3.6378 | View | CSV | PDB |
| 4.5 | -0.8039 | 3.5562 | View | CSV | PDB |
| 5.0 | -0.9083 | 3.5157 | View | CSV | PDB |
| 5.5 | -1.0154 | 3.5369 | View | CSV | PDB |
| 6.0 | -1.1078 | 3.5882 | View | CSV | PDB |
| 6.5 | -1.1721 | 3.6824 | View | CSV | PDB |
| 7.0 | -1.2056 | 3.8124 | View | CSV | PDB |
| 7.5 | -1.2169 | 3.9608 | View | CSV | PDB |
| 8.0 | -1.2147 | 4.1164 | View | CSV | PDB |
| 8.5 | -1.2015 | 4.274 | View | CSV | PDB |
| 9.0 | -1.176 | 4.4311 | 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