| Chain sequence(s) |
A: ARPCIPKSFGYSSVVCVCNATYCDSFDPPTFPALGTFSRYESTRSGRRMELSMGPIQANHTGTGLLLTLQPEQKFQKVKGFGGAMTDAAALNILALSPPAQNLLLKSYFSEEGIGYNIIRVPMASCDFSIRTYTYADTPDDFQLHNFSLPEEDTKLKIPLIHRALQLAQRPVSLLASPWTSPTWLKTNGAVNGKGSLKGQPGDIYHQTWARYFVKFLDAYAEHKLQFWAVTAENEPSAGLLSGYPFQCLGFTPEHQRDFIARDLGPTLANSTHHNVRLLMLDDQRLLLPHWAKVVLTDPEAAKYVHGIAVHWYLDFLAPAKATLGETHRLFPNTMLFASEACVGSKFWEQSVRLGSWDRGMQYSHSIITNLLYHVVGWTDWNLALNPEGGPNWVRNFVDSPIIVDITKDTFYKQPMFYHLGHFSKFIPEGSQRVGLVASQKNDLDAVALMHPDGSAVVVVLNRSSKDVPLTIKDPAVGFLETISPGYSIHTYLWHRQ
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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:04:47)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/cfe1a986778a908/tmp/folded.pdb (00:04:47)
[INFO] Main: Simulation completed successfully. (00:08:48)
|
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 | A | A | -1.3407 | |
| 2 | R | A | -1.5489 | |
| 3 | P | A | -1.0438 | |
| 4 | C | A | -0.1937 | |
| 5 | I | A | 0.6435 | |
| 6 | P | A | -0.1090 | |
| 7 | K | A | -0.6131 | |
| 8 | S | A | -0.1256 | |
| 9 | F | A | 0.5539 | |
| 10 | G | A | 0.0949 | |
| 11 | Y | A | 0.6042 | |
| 12 | S | A | -0.2538 | |
| 13 | S | A | 0.0000 | |
| 14 | V | A | -0.0889 | |
| 15 | V | A | 0.0000 | |
| 16 | C | A | 0.0000 | |
| 17 | V | A | 0.2705 | |
| 18 | C | A | 0.0000 | |
| 19 | N | A | -0.9673 | |
| 20 | A | A | -0.5555 | |
| 21 | T | A | -0.0165 | |
| 22 | Y | A | 0.2241 | |
| 23 | C | A | 0.0000 | |
| 24 | D | A | 0.0000 | |
| 25 | S | A | -1.6325 | |
| 26 | F | A | -2.0291 | |
| 27 | D | A | -2.5915 | |
| 28 | P | A | -1.8337 | |
| 29 | P | A | -0.8136 | |
| 30 | T | A | 0.4846 | |
| 31 | F | A | 2.0658 | |
| 32 | P | A | 0.0000 | |
| 33 | A | A | 1.1688 | |
| 34 | L | A | 1.4953 | |
| 35 | G | A | 0.4164 | |
| 36 | T | A | 0.5528 | |
| 37 | F | A | 0.0000 | |
| 38 | S | A | 0.0000 | |
| 39 | R | A | -0.1325 | |
| 40 | Y | A | -0.2147 | |
| 41 | E | A | -1.0162 | |
| 42 | S | A | -1.1345 | |
| 43 | T | A | -1.6809 | |
| 44 | R | A | -2.0167 | |
| 45 | S | A | -1.3169 | |
| 46 | G | A | -1.1482 | |
| 47 | R | A | -2.0543 | |
| 48 | R | A | 0.0000 | |
| 49 | M | A | -0.9360 | |
| 50 | E | A | -1.0642 | |
| 51 | L | A | -0.0098 | |
| 52 | S | A | 0.1907 | |
| 53 | M | A | 0.7642 | |
| 54 | G | A | -0.3228 | |
| 55 | P | A | -0.3787 | |
| 56 | I | A | -0.5216 | |
| 57 | Q | A | -1.5153 | |
| 58 | A | A | -0.9690 | |
| 59 | N | A | -1.6799 | |
| 60 | H | A | -1.4109 | |
| 61 | T | A | -0.7795 | |
| 62 | G | A | -0.9892 | |
| 63 | T | A | -0.4873 | |
| 64 | G | A | -0.6333 | |
| 65 | L | A | -0.5460 | |
| 66 | L | A | -0.1505 | |
| 67 | L | A | 0.0000 | |
| 68 | T | A | 0.1607 | |
| 69 | L | A | 0.0000 | |
| 70 | Q | A | -1.4186 | |
| 71 | P | A | -1.8208 | |
| 72 | E | A | -2.9608 | |
| 73 | Q | A | -2.8820 | |
| 74 | K | A | -2.8811 | |
| 75 | F | A | -1.2833 | |
| 76 | Q | A | -1.7084 | |
| 77 | K | A | -2.3695 | |
| 78 | V | A | 0.0000 | |
| 79 | K | A | -1.0126 | |
| 80 | G | A | 0.0000 | |
| 81 | F | A | 0.0000 | |
| 82 | G | A | 0.0000 | |
| 83 | G | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | M | A | 0.0000 | |
| 86 | T | A | 0.0000 | |
| 87 | D | A | 0.0000 | |
| 88 | A | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | A | A | 0.0000 | |
| 91 | L | A | 0.9624 | |
| 92 | N | A | 0.0000 | |
| 93 | I | A | 0.0000 | |
| 94 | L | A | 0.6174 | |
| 95 | A | A | 0.3874 | |
| 96 | L | A | 0.0000 | |
| 97 | S | A | -0.4598 | |
| 98 | P | A | -0.4157 | |
| 99 | P | A | -0.4811 | |
| 100 | A | A | 0.0000 | |
| 101 | Q | A | 0.0000 | |
| 102 | N | A | -0.7066 | |
| 103 | L | A | -0.4301 | |
| 104 | L | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | K | A | -1.5024 | |
| 107 | S | A | 0.0000 | |
| 108 | Y | A | 0.0000 | |
| 109 | F | A | 0.0000 | |
| 110 | S | A | 0.0000 | |
| 111 | E | A | -3.2969 | |
| 112 | E | A | -3.0400 | |
| 113 | G | A | 0.0000 | |
| 114 | I | A | 0.0000 | |
| 115 | G | A | -1.1824 | |
| 116 | Y | A | 0.0000 | |
| 117 | N | A | 0.0000 | |
| 118 | I | A | 0.0000 | |
| 119 | I | A | 0.0000 | |
| 120 | R | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | P | A | 0.0000 | |
| 123 | M | A | 0.0000 | |
| 124 | A | A | 0.0000 | |
| 125 | S | A | -0.1914 | |
| 126 | C | A | 0.0000 | |
| 127 | D | A | -0.2500 | |
| 128 | F | A | 0.0000 | |
| 129 | S | A | 0.0000 | |
| 130 | I | A | 0.6621 | |
| 131 | R | A | -1.1043 | |
| 132 | T | A | -0.6086 | |
| 133 | Y | A | 0.0000 | |
| 134 | T | A | -0.4723 | |
| 135 | Y | A | 0.0000 | |
| 136 | A | A | 0.0000 | |
| 137 | D | A | -2.2996 | |
| 138 | T | A | -1.8091 | |
| 139 | P | A | -1.5490 | |
| 140 | D | A | -2.2391 | |
| 141 | D | A | -2.1075 | |
| 142 | F | A | -1.1837 | |
| 143 | Q | A | -1.8514 | |
| 144 | L | A | 0.0000 | |
| 145 | H | A | -1.9558 | |
| 146 | N | A | -2.1379 | |
| 147 | F | A | -1.3079 | |
| 148 | S | A | -0.7471 | |
| 149 | L | A | -0.6010 | |
| 150 | P | A | -1.2004 | |
| 151 | E | A | -2.4404 | |
| 152 | E | A | -1.3966 | |
| 153 | D | A | 0.0000 | |
| 154 | T | A | -1.5303 | |
| 155 | K | A | -2.2835 | |
| 156 | L | A | -0.8961 | |
| 157 | K | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | P | A | -0.6376 | |
| 160 | L | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | H | A | -0.9177 | |
| 163 | R | A | -0.9126 | |
| 164 | A | A | 0.0000 | |
| 165 | L | A | -0.4184 | |
| 166 | Q | A | -1.2887 | |
| 167 | L | A | -1.1048 | |
| 168 | A | A | -1.3467 | |
| 169 | Q | A | -2.0850 | |
| 170 | R | A | -1.5631 | |
| 171 | P | A | -0.7917 | |
| 172 | V | A | -0.2039 | |
| 173 | S | A | -0.1327 | |
| 174 | L | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | A | A | 0.0000 | |
| 177 | S | A | 0.0000 | |
| 178 | P | A | 0.0000 | |
| 179 | W | A | 0.0136 | |
| 180 | T | A | 0.2093 | |
| 181 | S | A | 0.0000 | |
| 182 | P | A | 0.0000 | |
| 183 | T | A | -0.2455 | |
| 184 | W | A | -0.7261 | |
| 185 | L | A | 0.0000 | |
| 186 | K | A | 0.0000 | |
| 187 | T | A | -1.1513 | |
| 188 | N | A | -1.5951 | |
| 189 | G | A | -0.9125 | |
| 190 | A | A | -0.3071 | |
| 191 | V | A | 0.6030 | |
| 192 | N | A | -1.0838 | |
| 193 | G | A | -1.3653 | |
| 194 | K | A | -1.0984 | |
| 195 | G | A | -0.9388 | |
| 196 | S | A | -0.7093 | |
| 197 | L | A | 0.0000 | |
| 198 | K | A | -1.2242 | |
| 199 | G | A | -1.3864 | |
| 200 | Q | A | -1.8341 | |
| 201 | P | A | -1.6875 | |
| 202 | G | A | -1.6880 | |
| 203 | D | A | -1.3807 | |
| 204 | I | A | 0.0868 | |
| 205 | Y | A | -0.2716 | |
| 206 | H | A | 0.0000 | |
| 207 | Q | A | -0.7251 | |
| 208 | T | A | 0.0000 | |
| 209 | W | A | 0.0000 | |
| 210 | A | A | 0.0000 | |
| 211 | R | A | -0.6099 | |
| 212 | Y | A | 0.0000 | |
| 213 | F | A | 0.0000 | |
| 214 | V | A | -0.4588 | |
| 215 | K | A | -0.9539 | |
| 216 | F | A | 0.0000 | |
| 217 | L | A | 0.0000 | |
| 218 | D | A | -2.0274 | |
| 219 | A | A | -1.5175 | |
| 220 | Y | A | 0.0000 | |
| 221 | A | A | -2.3978 | |
| 222 | E | A | -2.9160 | |
| 223 | H | A | -2.3669 | |
| 224 | K | A | -2.8699 | |
| 225 | L | A | 0.0000 | |
| 226 | Q | A | -1.9033 | |
| 227 | F | A | -0.5908 | |
| 228 | W | A | -0.4686 | |
| 229 | A | A | 0.0000 | |
| 230 | V | A | 0.0000 | |
| 231 | T | A | 0.0000 | |
| 232 | A | A | 0.0000 | |
| 233 | E | A | 0.0000 | |
| 234 | N | A | -0.2897 | |
| 235 | E | A | -0.4397 | |
| 236 | P | A | 0.0000 | |
| 237 | S | A | 0.3436 | |
| 238 | A | A | 0.0000 | |
| 239 | G | A | 0.0000 | |
| 240 | L | A | 0.9206 | |
| 241 | L | A | 1.0418 | |
| 242 | S | A | 0.3603 | |
| 243 | G | A | 0.1854 | |
| 244 | Y | A | 1.2280 | |
| 245 | P | A | 0.4556 | |
| 246 | F | A | 0.6036 | |
| 247 | Q | A | -0.3094 | |
| 248 | C | A | -0.0678 | |
| 249 | L | A | 0.0000 | |
| 250 | G | A | 0.0160 | |
| 251 | F | A | 0.0000 | |
| 252 | T | A | -0.6130 | |
| 253 | P | A | -1.1926 | |
| 254 | E | A | -2.0983 | |
| 255 | H | A | -1.3538 | |
| 256 | Q | A | 0.0000 | |
| 257 | R | A | -1.6250 | |
| 258 | D | A | -1.8874 | |
| 259 | F | A | 0.0000 | |
| 260 | I | A | 0.0000 | |
| 261 | A | A | -1.8396 | |
| 262 | R | A | -2.4335 | |
| 263 | D | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | P | A | -0.9706 | |
| 267 | T | A | -0.8725 | |
| 268 | L | A | 0.0000 | |
| 269 | A | A | -1.1923 | |
| 270 | N | A | -1.5170 | |
| 271 | S | A | -1.2729 | |
| 272 | T | A | -0.9968 | |
| 273 | H | A | -1.4747 | |
| 274 | H | A | -1.8600 | |
| 275 | N | A | -1.8481 | |
| 276 | V | A | 0.0000 | |
| 277 | R | A | -1.3588 | |
| 278 | L | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | M | A | 0.0000 | |
| 281 | L | A | 0.0000 | |
| 282 | D | A | 0.0000 | |
| 283 | D | A | 0.0000 | |
| 284 | Q | A | 0.0000 | |
| 285 | R | A | 0.0000 | |
| 286 | L | A | 1.2652 | |
| 287 | L | A | 0.3705 | |
| 288 | L | A | 0.0000 | |
| 289 | P | A | -0.5946 | |
| 290 | H | A | -0.8215 | |
| 291 | W | A | 0.0000 | |
| 292 | A | A | 0.0000 | |
| 293 | K | A | -1.1911 | |
| 294 | V | A | -0.9635 | |
| 295 | V | A | 0.0000 | |
| 296 | L | A | -0.7367 | |
| 297 | T | A | -0.6162 | |
| 298 | D | A | -1.5968 | |
| 299 | P | A | -1.4500 | |
| 300 | E | A | -2.1686 | |
| 301 | A | A | 0.0000 | |
| 302 | A | A | -1.4813 | |
| 303 | K | A | -2.1035 | |
| 304 | Y | A | -1.3217 | |
| 305 | V | A | 0.0000 | |
| 306 | H | A | -1.0611 | |
| 307 | G | A | 0.0000 | |
| 308 | I | A | 0.0000 | |
| 309 | A | A | 0.0000 | |
| 310 | V | A | 0.0000 | |
| 311 | H | A | 0.0000 | |
| 312 | W | A | 0.6699 | |
| 313 | Y | A | 0.9772 | |
| 314 | L | A | 1.8982 | |
| 315 | D | A | 1.6782 | |
| 316 | F | A | 2.8479 | |
| 317 | L | A | 2.7220 | |
| 318 | A | A | 0.0000 | |
| 319 | P | A | 0.1723 | |
| 320 | A | A | -0.4942 | |
| 321 | K | A | -1.9059 | |
| 322 | A | A | -1.0636 | |
| 323 | T | A | 0.0000 | |
| 324 | L | A | 0.0000 | |
| 325 | G | A | 0.0000 | |
| 326 | E | A | -1.8145 | |
| 327 | T | A | 0.0000 | |
| 328 | H | A | -1.4477 | |
| 329 | R | A | -1.8922 | |
| 330 | L | A | -0.6367 | |
| 331 | F | A | -0.6502 | |
| 332 | P | A | -1.0787 | |
| 333 | N | A | -1.3107 | |
| 334 | T | A | -0.5344 | |
| 335 | M | A | -0.4978 | |
| 336 | L | A | 0.0000 | |
| 337 | F | A | 0.0000 | |
| 338 | A | A | 0.0000 | |
| 339 | S | A | 0.0000 | |
| 340 | E | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | C | A | 0.0000 | |
| 343 | V | A | 0.0000 | |
| 344 | G | A | 0.0000 | |
| 345 | S | A | -0.3241 | |
| 346 | K | A | 0.0879 | |
| 347 | F | A | 1.4827 | |
| 348 | W | A | 1.2442 | |
| 349 | E | A | -0.3331 | |
| 350 | Q | A | -1.2021 | |
| 351 | S | A | -1.3899 | |
| 352 | V | A | 0.0000 | |
| 353 | R | A | -1.0753 | |
| 354 | L | A | -0.0472 | |
| 355 | G | A | 0.0000 | |
| 356 | S | A | -0.5567 | |
| 357 | W | A | -0.8169 | |
| 358 | D | A | -1.8121 | |
| 359 | R | A | 0.0000 | |
| 360 | G | A | 0.0000 | |
| 361 | M | A | 0.0000 | |
| 362 | Q | A | -0.9107 | |
| 363 | Y | A | 0.0000 | |
| 364 | S | A | 0.0000 | |
| 365 | H | A | -0.8056 | |
| 366 | S | A | 0.0000 | |
| 367 | I | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | T | A | 0.0091 | |
| 370 | N | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | L | A | 0.3498 | |
| 373 | Y | A | -0.0362 | |
| 374 | H | A | -0.1231 | |
| 375 | V | A | 0.0000 | |
| 376 | V | A | 0.0000 | |
| 377 | G | A | 0.0000 | |
| 378 | W | A | 0.0000 | |
| 379 | T | A | 0.0000 | |
| 380 | D | A | 0.0000 | |
| 381 | W | A | 0.0000 | |
| 382 | N | A | 0.0000 | |
| 383 | L | A | 0.0000 | |
| 384 | A | A | 0.0000 | |
| 385 | L | A | 0.0000 | |
| 386 | N | A | -0.7479 | |
| 387 | P | A | -1.1781 | |
| 388 | E | A | -2.5480 | |
| 389 | G | A | 0.0000 | |
| 390 | G | A | 0.0000 | |
| 391 | P | A | -0.2699 | |
| 392 | N | A | -0.3666 | |
| 393 | W | A | 0.8500 | |
| 394 | V | A | 0.5844 | |
| 395 | R | A | -1.8289 | |
| 396 | N | A | -1.7203 | |
| 397 | F | A | -1.4596 | |
| 398 | V | A | 0.0000 | |
| 399 | D | A | 0.0000 | |
| 400 | S | A | 0.0000 | |
| 401 | P | A | 0.0000 | |
| 402 | I | A | 0.0000 | |
| 403 | I | A | 0.0000 | |
| 404 | V | A | 0.0000 | |
| 405 | D | A | -0.9712 | |
| 406 | I | A | -0.2355 | |
| 407 | T | A | -0.9034 | |
| 408 | K | A | -2.2972 | |
| 409 | D | A | -2.2919 | |
| 410 | T | A | 0.0000 | |
| 411 | F | A | 0.0000 | |
| 412 | Y | A | 0.0000 | |
| 413 | K | A | 0.0000 | |
| 414 | Q | A | 0.0000 | |
| 415 | P | A | 0.0000 | |
| 416 | M | A | 0.0000 | |
| 417 | F | A | 0.0000 | |
| 418 | Y | A | 0.0000 | |
| 419 | H | A | 0.0000 | |
| 420 | L | A | 0.0000 | |
| 421 | G | A | 0.0000 | |
| 422 | H | A | 0.0000 | |
| 423 | F | A | 0.0000 | |
| 424 | S | A | 0.0000 | |
| 425 | K | A | -0.6220 | |
| 426 | F | A | -0.0206 | |
| 427 | I | A | 0.0000 | |
| 428 | P | A | -0.7203 | |
| 429 | E | A | -1.1119 | |
| 430 | G | A | -1.3481 | |
| 431 | S | A | 0.0000 | |
| 432 | Q | A | -1.6243 | |
| 433 | R | A | 0.0000 | |
| 434 | V | A | 0.0000 | |
| 435 | G | A | 0.0000 | |
| 436 | L | A | 0.4985 | |
| 437 | V | A | 1.2247 | |
| 438 | A | A | 0.1133 | |
| 439 | S | A | -0.5277 | |
| 440 | Q | A | -1.4853 | |
| 441 | K | A | -2.5898 | |
| 442 | N | A | -2.3404 | |
| 443 | D | A | -2.6075 | |
| 444 | L | A | -1.4922 | |
| 445 | D | A | -1.2141 | |
| 446 | A | A | -0.1617 | |
| 447 | V | A | 0.0000 | |
| 448 | A | A | 0.0000 | |
| 449 | L | A | 0.0000 | |
| 450 | M | A | 0.0000 | |
| 451 | H | A | -1.3542 | |
| 452 | P | A | -1.5055 | |
| 453 | D | A | -2.3425 | |
| 454 | G | A | -1.6590 | |
| 455 | S | A | 0.0000 | |
| 456 | A | A | 0.0000 | |
| 457 | V | A | 0.0000 | |
| 458 | V | A | 0.0000 | |
| 459 | V | A | 0.0000 | |
| 460 | V | A | 0.0000 | |
| 461 | L | A | 0.0000 | |
| 462 | N | A | 0.0000 | |
| 463 | R | A | -1.7763 | |
| 464 | S | A | -1.5147 | |
| 465 | S | A | -1.3381 | |
| 466 | K | A | -2.6458 | |
| 467 | D | A | -2.2016 | |
| 468 | V | A | -0.9229 | |
| 469 | P | A | -0.5535 | |
| 470 | L | A | 0.0000 | |
| 471 | T | A | 0.0000 | |
| 472 | I | A | 0.0000 | |
| 473 | K | A | -0.7744 | |
| 474 | D | A | 0.0000 | |
| 475 | P | A | -0.3506 | |
| 476 | A | A | 0.0074 | |
| 477 | V | A | 0.3129 | |
| 478 | G | A | -0.6244 | |
| 479 | F | A | -0.9839 | |
| 480 | L | A | 0.0000 | |
| 481 | E | A | -1.6656 | |
| 482 | T | A | 0.0000 | |
| 483 | I | A | 0.4128 | |
| 484 | S | A | 0.0000 | |
| 485 | P | A | -0.9167 | |
| 486 | G | A | -1.0231 | |
| 487 | Y | A | -0.2120 | |
| 488 | S | A | 0.0000 | |
| 489 | I | A | 0.0000 | |
| 490 | H | A | 0.0000 | |
| 491 | T | A | 0.0000 | |
| 492 | Y | A | 0.0000 | |
| 493 | L | A | 0.0000 | |
| 494 | W | A | 0.0000 | |
| 495 | H | A | -0.2138 | |
| 496 | R | A | -0.9805 | |
| 497 | Q | A | -1.6874 |
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 | -0.2074 | 5.927 | View | CSV | PDB |
| 4.5 | -0.2468 | 5.9056 | View | CSV | PDB |
| 5.0 | -0.2937 | 5.8827 | View | CSV | PDB |
| 5.5 | -0.3396 | 5.8592 | View | CSV | PDB |
| 6.0 | -0.3761 | 5.8356 | View | CSV | PDB |
| 6.5 | -0.3969 | 5.8119 | View | CSV | PDB |
| 7.0 | -0.4018 | 5.7885 | View | CSV | PDB |
| 7.5 | -0.3961 | 5.7657 | View | CSV | PDB |
| 8.0 | -0.3842 | 5.7447 | View | CSV | PDB |
| 8.5 | -0.3669 | 5.7279 | View | CSV | PDB |
| 9.0 | -0.3434 | 5.7173 | 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