| Chain sequence(s) |
A: MGSSHHHHHENLYFQGIIQDLASFIEGNIVGKDSFFDDEGFTGRFTFLNDAVEGDIVIRHKINGKGVEIAAGKNLACLITQTPQDGACDKAKELNFPLIVVDKIELATAYALKWTVEKFSPDSKNVIITGTNGKSTTSHLIYHILKNTGVHVLTNTDSESEFNTLIDPMVSKLISDEVKNNGKLDYLVIEVSEVQGWLGNLMKHHAYLMVSAVKPSVGVITNIAMDHIGLVNSIDEVFDEINQVPNAIGDGVTVLNYDDDLVMKLTPKHPFLCSMNNMDSKNPNVYYDNGIFYEGKRILENKDLPFTSHHFIQNILSAVAACISLNMDIEDIVEGVKSYRPLNRRFSKLHENPLIVDDFAHNPDGIKATIAETRKLLAENQTLYIVCSIRGSRGVEINKLNVEALAESMDDNTKLVLSSSNDVVDHLNFVEDEEREIFFEVLNQNNIDYNYFDNLCDCLKDTYKCADANDIILLIGAQGMDPAEGLLENILRK
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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:19:51)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/f23573ba576754e/tmp/folded.pdb (00:19:51)
[INFO] Main: Simulation completed successfully. (00:30:41)
|
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 | 0.7505 | |
| 2 | G | A | -0.2270 | |
| 3 | S | A | -0.6801 | |
| 4 | S | A | -1.1963 | |
| 5 | H | A | -2.1006 | |
| 6 | H | A | -2.4344 | |
| 7 | H | A | -2.7806 | |
| 8 | H | A | -3.0316 | |
| 9 | H | A | -2.7602 | |
| 10 | E | A | -2.8587 | |
| 11 | N | A | -1.4881 | |
| 12 | L | A | 0.6372 | |
| 13 | Y | A | 1.1669 | |
| 14 | F | A | 0.8191 | |
| 15 | Q | A | -0.2938 | |
| 16 | G | A | -0.2056 | |
| 17 | I | A | 0.5220 | |
| 18 | I | A | 0.0000 | |
| 19 | Q | A | -0.7016 | |
| 20 | D | A | 0.0936 | |
| 21 | L | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | S | A | -0.8490 | |
| 24 | F | A | 0.1929 | |
| 25 | I | A | 0.0000 | |
| 26 | E | A | -2.3748 | |
| 27 | G | A | -1.8471 | |
| 28 | N | A | -1.6744 | |
| 29 | I | A | -0.7927 | |
| 30 | V | A | -1.3013 | |
| 31 | G | A | -2.5371 | |
| 32 | K | A | -2.3522 | |
| 33 | D | A | -2.1379 | |
| 34 | S | A | -1.4530 | |
| 35 | F | A | 0.0000 | |
| 36 | F | A | -1.4768 | |
| 37 | D | A | -2.3121 | |
| 38 | D | A | -2.9393 | |
| 39 | E | A | -2.8815 | |
| 40 | G | A | -1.4374 | |
| 41 | F | A | -0.6373 | |
| 42 | T | A | -0.8019 | |
| 43 | G | A | -0.1121 | |
| 44 | R | A | 0.0000 | |
| 45 | F | A | 0.0000 | |
| 46 | T | A | 0.0000 | |
| 47 | F | A | -0.3124 | |
| 48 | L | A | -0.3418 | |
| 49 | N | A | -1.0833 | |
| 50 | D | A | -0.7555 | |
| 51 | A | A | 0.0000 | |
| 52 | V | A | 0.3653 | |
| 53 | E | A | -1.3448 | |
| 54 | G | A | 0.0000 | |
| 55 | D | A | 0.0000 | |
| 56 | I | A | 0.0000 | |
| 57 | V | A | 0.0000 | |
| 58 | I | A | 0.0000 | |
| 59 | R | A | -1.4366 | |
| 60 | H | A | -1.4964 | |
| 61 | K | A | -1.8903 | |
| 62 | I | A | 0.0000 | |
| 63 | N | A | -2.8449 | |
| 64 | G | A | 0.0000 | |
| 65 | K | A | -2.6705 | |
| 66 | G | A | 0.0000 | |
| 67 | V | A | 0.0000 | |
| 68 | E | A | -2.1939 | |
| 69 | I | A | -0.8595 | |
| 70 | A | A | 0.0000 | |
| 71 | A | A | -1.2094 | |
| 72 | G | A | -0.9213 | |
| 73 | K | A | -0.9434 | |
| 74 | N | A | -1.1435 | |
| 75 | L | A | 0.0000 | |
| 76 | A | A | 0.0000 | |
| 77 | C | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | I | A | 0.0000 | |
| 80 | T | A | 0.0000 | |
| 81 | Q | A | -1.5295 | |
| 82 | T | A | -1.2611 | |
| 83 | P | A | -1.6018 | |
| 84 | Q | A | -2.3571 | |
| 85 | D | A | -3.0068 | |
| 86 | G | A | -2.4390 | |
| 87 | A | A | 0.0000 | |
| 88 | C | A | -2.0134 | |
| 89 | D | A | -3.4762 | |
| 90 | K | A | -3.5073 | |
| 91 | A | A | 0.0000 | |
| 92 | K | A | -3.7829 | |
| 93 | E | A | -3.6523 | |
| 94 | L | A | -2.2373 | |
| 95 | N | A | -2.9486 | |
| 96 | F | A | 0.0000 | |
| 97 | P | A | 0.0000 | |
| 98 | L | A | 0.0000 | |
| 99 | I | A | 0.0000 | |
| 100 | V | A | -0.8360 | |
| 101 | V | A | 0.0000 | |
| 102 | D | A | -2.7201 | |
| 103 | K | A | -1.9712 | |
| 104 | I | A | 0.0000 | |
| 105 | E | A | 0.0000 | |
| 106 | L | A | -0.3525 | |
| 107 | A | A | 0.0000 | |
| 108 | T | A | 0.0000 | |
| 109 | A | A | 0.0000 | |
| 110 | Y | A | 0.0000 | |
| 111 | A | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | K | A | -1.3133 | |
| 114 | W | A | -0.9544 | |
| 115 | T | A | 0.0000 | |
| 116 | V | A | 0.0000 | |
| 117 | E | A | -3.2435 | |
| 118 | K | A | -2.8341 | |
| 119 | F | A | 0.0000 | |
| 120 | S | A | 0.0000 | |
| 121 | P | A | -2.7100 | |
| 122 | D | A | -3.0291 | |
| 123 | S | A | -2.2740 | |
| 124 | K | A | -1.7310 | |
| 125 | N | A | 0.0000 | |
| 126 | V | A | 0.0000 | |
| 127 | I | A | 0.0000 | |
| 128 | I | A | 0.0000 | |
| 129 | T | A | 0.0000 | |
| 130 | G | A | 0.0000 | |
| 131 | T | A | 0.0000 | |
| 132 | N | A | -0.6598 | |
| 133 | G | A | -0.4545 | |
| 134 | K | A | -0.3427 | |
| 135 | S | A | -0.9203 | |
| 136 | T | A | -0.6067 | |
| 137 | T | A | 0.0000 | |
| 138 | S | A | 0.0000 | |
| 139 | H | A | -0.7902 | |
| 140 | L | A | 0.0000 | |
| 141 | I | A | 0.0000 | |
| 142 | Y | A | -0.7485 | |
| 143 | H | A | -1.3185 | |
| 144 | I | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | K | A | -2.3402 | |
| 147 | N | A | -2.6841 | |
| 148 | T | A | -1.9307 | |
| 149 | G | A | -1.2735 | |
| 150 | V | A | -0.8783 | |
| 151 | H | A | -1.4753 | |
| 152 | V | A | 0.0000 | |
| 153 | L | A | -0.1360 | |
| 154 | T | A | -0.3169 | |
| 155 | N | A | 0.0000 | |
| 156 | T | A | 0.0000 | |
| 157 | D | A | -2.9502 | |
| 158 | S | A | -2.5414 | |
| 159 | E | A | -3.1502 | |
| 160 | S | A | -2.2574 | |
| 161 | E | A | -2.3512 | |
| 162 | F | A | -0.4034 | |
| 163 | N | A | 0.0000 | |
| 164 | T | A | -0.0493 | |
| 165 | L | A | 0.0000 | |
| 166 | I | A | 0.1449 | |
| 167 | D | A | -0.4226 | |
| 168 | P | A | 0.0000 | |
| 169 | M | A | 0.2625 | |
| 170 | V | A | 0.0000 | |
| 171 | S | A | 0.0000 | |
| 172 | K | A | -0.2999 | |
| 173 | L | A | -0.0216 | |
| 174 | I | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | D | A | -1.6103 | |
| 177 | E | A | -1.9926 | |
| 178 | V | A | -2.2749 | |
| 179 | K | A | -3.0893 | |
| 180 | N | A | -3.1132 | |
| 181 | N | A | -2.9318 | |
| 182 | G | A | -2.6591 | |
| 183 | K | A | -3.0577 | |
| 184 | L | A | 0.0000 | |
| 185 | D | A | -2.1325 | |
| 186 | Y | A | -1.3185 | |
| 187 | L | A | 0.0000 | |
| 188 | V | A | 0.0000 | |
| 189 | I | A | 0.0000 | |
| 190 | E | A | 0.0000 | |
| 191 | V | A | 0.0000 | |
| 192 | S | A | 0.0000 | |
| 193 | E | A | 0.0000 | |
| 194 | V | A | 0.0000 | |
| 195 | Q | A | -0.5671 | |
| 196 | G | A | -0.3308 | |
| 197 | W | A | 0.4902 | |
| 198 | L | A | 1.0764 | |
| 199 | G | A | -0.2658 | |
| 200 | N | A | -1.0971 | |
| 201 | L | A | -0.8515 | |
| 202 | M | A | 0.0000 | |
| 203 | K | A | -2.0741 | |
| 204 | H | A | -1.3132 | |
| 205 | H | A | 0.0000 | |
| 206 | A | A | 0.0000 | |
| 207 | Y | A | -0.0778 | |
| 208 | L | A | 0.1251 | |
| 209 | M | A | 0.0000 | |
| 210 | V | A | 0.0000 | |
| 211 | S | A | -0.6608 | |
| 212 | A | A | 0.0000 | |
| 213 | V | A | 0.0000 | |
| 214 | K | A | -2.3501 | |
| 215 | P | A | 0.0000 | |
| 216 | S | A | -0.9688 | |
| 217 | V | A | 0.0000 | |
| 218 | G | A | 0.0000 | |
| 219 | V | A | 0.0000 | |
| 220 | I | A | 0.0000 | |
| 221 | T | A | 0.0000 | |
| 222 | N | A | -0.6094 | |
| 223 | I | A | 0.0000 | |
| 224 | A | A | -0.3454 | |
| 225 | M | A | -0.3000 | |
| 226 | D | A | 0.0000 | |
| 227 | H | A | -0.6626 | |
| 228 | I | A | -0.8158 | |
| 229 | G | A | -1.2546 | |
| 230 | L | A | -0.6233 | |
| 231 | V | A | 0.0000 | |
| 232 | N | A | -1.7643 | |
| 233 | S | A | -1.2616 | |
| 234 | I | A | -0.7994 | |
| 235 | D | A | -2.3430 | |
| 236 | E | A | -2.1153 | |
| 237 | V | A | 0.0000 | |
| 238 | F | A | -1.5231 | |
| 239 | D | A | -2.6211 | |
| 240 | E | A | 0.0000 | |
| 241 | I | A | 0.0000 | |
| 242 | N | A | -1.6674 | |
| 243 | Q | A | -1.1403 | |
| 244 | V | A | 0.0000 | |
| 245 | P | A | 0.0000 | |
| 246 | N | A | -2.0035 | |
| 247 | A | A | -1.1895 | |
| 248 | I | A | 0.0000 | |
| 249 | G | A | -2.2109 | |
| 250 | D | A | -2.7236 | |
| 251 | G | A | -1.6239 | |
| 252 | V | A | -0.5902 | |
| 253 | T | A | 0.0000 | |
| 254 | V | A | 0.0000 | |
| 255 | L | A | 0.0000 | |
| 256 | N | A | 0.0000 | |
| 257 | Y | A | -0.4182 | |
| 258 | D | A | -1.6658 | |
| 259 | D | A | -1.6004 | |
| 260 | D | A | -2.2616 | |
| 261 | L | A | -1.3828 | |
| 262 | V | A | 0.0000 | |
| 263 | M | A | -1.0920 | |
| 264 | K | A | -1.9198 | |
| 265 | L | A | 0.0000 | |
| 266 | T | A | -1.1878 | |
| 267 | P | A | -1.7759 | |
| 268 | K | A | -2.5798 | |
| 269 | H | A | -1.6865 | |
| 270 | P | A | -0.8040 | |
| 271 | F | A | 0.0000 | |
| 272 | L | A | 0.0000 | |
| 273 | C | A | 0.0000 | |
| 274 | S | A | 0.0000 | |
| 275 | M | A | -1.4794 | |
| 276 | N | A | -2.5799 | |
| 277 | N | A | -2.5964 | |
| 278 | M | A | 0.0000 | |
| 279 | D | A | -2.6614 | |
| 280 | S | A | -2.1439 | |
| 281 | K | A | -2.4359 | |
| 282 | N | A | -1.8283 | |
| 283 | P | A | -1.2975 | |
| 284 | N | A | -1.2714 | |
| 285 | V | A | 0.0000 | |
| 286 | Y | A | -1.3011 | |
| 287 | Y | A | -1.7749 | |
| 288 | D | A | -3.0720 | |
| 289 | N | A | -2.8044 | |
| 290 | G | A | 0.0000 | |
| 291 | I | A | 0.0000 | |
| 292 | F | A | -1.9944 | |
| 293 | Y | A | -1.4370 | |
| 294 | E | A | -2.5998 | |
| 295 | G | A | -2.3732 | |
| 296 | K | A | -2.7215 | |
| 297 | R | A | -2.3341 | |
| 298 | I | A | -1.1535 | |
| 299 | L | A | 0.0000 | |
| 300 | E | A | -2.1862 | |
| 301 | N | A | -2.2901 | |
| 302 | K | A | -2.5433 | |
| 303 | D | A | -1.9754 | |
| 304 | L | A | 0.0000 | |
| 305 | P | A | -1.0269 | |
| 306 | F | A | -0.5457 | |
| 307 | T | A | -0.6779 | |
| 308 | S | A | -0.6298 | |
| 309 | H | A | -0.8815 | |
| 310 | H | A | -0.6854 | |
| 311 | F | A | 0.0000 | |
| 312 | I | A | 0.0000 | |
| 313 | Q | A | -0.5038 | |
| 314 | N | A | 0.0000 | |
| 315 | I | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | S | A | 0.0000 | |
| 318 | A | A | 0.0000 | |
| 319 | V | A | 0.0000 | |
| 320 | A | A | 0.0000 | |
| 321 | A | A | 0.0000 | |
| 322 | C | A | 0.0000 | |
| 323 | I | A | 0.0000 | |
| 324 | S | A | -0.3806 | |
| 325 | L | A | 0.0000 | |
| 326 | N | A | -1.5944 | |
| 327 | M | A | -1.7362 | |
| 328 | D | A | -2.6983 | |
| 329 | I | A | -1.9189 | |
| 330 | E | A | -3.0063 | |
| 331 | D | A | -3.0338 | |
| 332 | I | A | 0.0000 | |
| 333 | V | A | -2.1193 | |
| 334 | E | A | -3.1052 | |
| 335 | G | A | 0.0000 | |
| 336 | V | A | 0.0000 | |
| 337 | K | A | -2.2248 | |
| 338 | S | A | -1.7553 | |
| 339 | Y | A | 0.0000 | |
| 340 | R | A | -2.2008 | |
| 341 | P | A | -1.3615 | |
| 342 | L | A | 0.0000 | |
| 343 | N | A | -2.4742 | |
| 344 | R | A | 0.0000 | |
| 345 | R | A | -0.9848 | |
| 346 | F | A | 0.0000 | |
| 347 | S | A | -1.4992 | |
| 348 | K | A | -2.1748 | |
| 349 | L | A | -1.3930 | |
| 350 | H | A | -1.8499 | |
| 351 | E | A | -2.8317 | |
| 352 | N | A | -2.7034 | |
| 353 | P | A | 0.0000 | |
| 354 | L | A | -1.5734 | |
| 355 | I | A | 0.0000 | |
| 356 | V | A | 0.0000 | |
| 357 | D | A | 0.0000 | |
| 358 | D | A | -0.7826 | |
| 359 | F | A | -0.4056 | |
| 360 | A | A | 0.0000 | |
| 361 | H | A | -0.5402 | |
| 362 | N | A | 0.0000 | |
| 363 | P | A | -1.2948 | |
| 364 | D | A | -2.0275 | |
| 365 | G | A | -1.2927 | |
| 366 | I | A | 0.0000 | |
| 367 | K | A | -1.9272 | |
| 368 | A | A | -1.1318 | |
| 369 | T | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | A | A | -0.6835 | |
| 372 | E | A | 0.0000 | |
| 373 | T | A | 0.0000 | |
| 374 | R | A | -0.8157 | |
| 375 | K | A | -1.2447 | |
| 376 | L | A | 0.3373 | |
| 377 | L | A | -0.7530 | |
| 378 | A | A | -1.3261 | |
| 379 | E | A | -2.5411 | |
| 380 | N | A | -2.5394 | |
| 381 | Q | A | -1.9669 | |
| 382 | T | A | -1.9989 | |
| 383 | L | A | 0.0000 | |
| 384 | Y | A | 0.0000 | |
| 385 | I | A | 0.0000 | |
| 386 | V | A | 0.0000 | |
| 387 | C | A | 0.0000 | |
| 388 | S | A | 0.0000 | |
| 389 | I | A | 0.0000 | |
| 390 | R | A | -0.7151 | |
| 391 | G | A | 0.0000 | |
| 392 | S | A | -0.9159 | |
| 393 | R | A | -1.3754 | |
| 394 | G | A | -1.8275 | |
| 395 | V | A | -2.0405 | |
| 396 | E | A | -2.0799 | |
| 397 | I | A | 0.0000 | |
| 398 | N | A | 0.0000 | |
| 399 | K | A | -1.6974 | |
| 400 | L | A | -0.8012 | |
| 401 | N | A | 0.0000 | |
| 402 | V | A | 0.0000 | |
| 403 | E | A | -2.0829 | |
| 404 | A | A | 0.0000 | |
| 405 | L | A | 0.0000 | |
| 406 | A | A | -2.1539 | |
| 407 | E | A | -2.6234 | |
| 408 | S | A | -1.5221 | |
| 409 | M | A | -1.9726 | |
| 410 | D | A | -2.7739 | |
| 411 | D | A | -3.0413 | |
| 412 | N | A | -3.0677 | |
| 413 | T | A | -2.3088 | |
| 414 | K | A | -2.5014 | |
| 415 | L | A | 0.0000 | |
| 416 | V | A | 0.0000 | |
| 417 | L | A | 0.0000 | |
| 418 | S | A | 0.0000 | |
| 419 | S | A | 0.0000 | |
| 420 | S | A | 0.0000 | |
| 421 | N | A | -1.1335 | |
| 422 | D | A | -1.3991 | |
| 423 | V | A | -0.4861 | |
| 424 | V | A | -0.5920 | |
| 425 | D | A | -1.1780 | |
| 426 | H | A | -0.5485 | |
| 427 | L | A | 0.7363 | |
| 428 | N | A | -0.0621 | |
| 429 | F | A | 0.0214 | |
| 430 | V | A | 0.0000 | |
| 431 | E | A | -3.4054 | |
| 432 | D | A | -3.9458 | |
| 433 | E | A | -3.8715 | |
| 434 | E | A | 0.0000 | |
| 435 | R | A | -2.9344 | |
| 436 | E | A | -3.6446 | |
| 437 | I | A | 0.0000 | |
| 438 | F | A | 0.0000 | |
| 439 | F | A | -2.0761 | |
| 440 | E | A | -2.9969 | |
| 441 | V | A | 0.0000 | |
| 442 | L | A | 0.0000 | |
| 443 | N | A | -3.3599 | |
| 444 | Q | A | -3.1219 | |
| 445 | N | A | -3.5872 | |
| 446 | N | A | -3.1565 | |
| 447 | I | A | -2.5780 | |
| 448 | D | A | -2.6642 | |
| 449 | Y | A | -1.5219 | |
| 450 | N | A | -1.3493 | |
| 451 | Y | A | -0.4005 | |
| 452 | F | A | -0.8614 | |
| 453 | D | A | -1.7142 | |
| 454 | N | A | -1.4397 | |
| 455 | L | A | 0.0000 | |
| 456 | C | A | -0.9109 | |
| 457 | D | A | -1.3411 | |
| 458 | C | A | 0.0000 | |
| 459 | L | A | 0.0000 | |
| 460 | K | A | -1.4720 | |
| 461 | D | A | -1.8183 | |
| 462 | T | A | 0.0000 | |
| 463 | Y | A | -1.0307 | |
| 464 | K | A | -2.0093 | |
| 465 | C | A | -0.7496 | |
| 466 | A | A | -1.5225 | |
| 467 | D | A | -2.4464 | |
| 468 | A | A | -2.2430 | |
| 469 | N | A | -2.5193 | |
| 470 | D | A | 0.0000 | |
| 471 | I | A | 0.0000 | |
| 472 | I | A | 0.0000 | |
| 473 | L | A | 0.0000 | |
| 474 | L | A | 0.0000 | |
| 475 | I | A | 0.0000 | |
| 476 | G | A | 0.0000 | |
| 477 | A | A | 0.0000 | |
| 478 | Q | A | -0.8405 | |
| 479 | G | A | 0.0000 | |
| 480 | M | A | 0.0000 | |
| 481 | D | A | -1.9859 | |
| 482 | P | A | -1.0529 | |
| 483 | A | A | 0.0000 | |
| 484 | E | A | -1.9052 | |
| 485 | G | A | -1.5589 | |
| 486 | L | A | -1.0786 | |
| 487 | L | A | 0.0000 | |
| 488 | E | A | -2.6141 | |
| 489 | N | A | -2.6919 | |
| 490 | I | A | -1.7892 | |
| 491 | L | A | -1.6448 | |
| 492 | R | A | -3.0918 | |
| 493 | K | A | -2.7952 |
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 | -0.7368 | 2.0014 | View | CSV | PDB |
| 4.5 | -0.8323 | 1.991 | View | CSV | PDB |
| 5.0 | -0.9454 | 1.9794 | View | CSV | PDB |
| 5.5 | -1.0587 | 1.9674 | View | CSV | PDB |
| 6.0 | -1.1546 | 1.9552 | View | CSV | PDB |
| 6.5 | -1.221 | 1.943 | View | CSV | PDB |
| 7.0 | -1.2581 | 1.9379 | View | CSV | PDB |
| 7.5 | -1.2744 | 1.9379 | View | CSV | PDB |
| 8.0 | -1.2768 | 1.9379 | View | CSV | PDB |
| 8.5 | -1.2656 | 1.9379 | View | CSV | PDB |
| 9.0 | -1.2373 | 1.9379 | 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