| 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] (00:00:00)
[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 (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:03:59)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/3f215d67351acf7/tmp/folded.pdb (00:03:59)
[INFO] Main: Simulation completed successfully. (00:06:46)
|
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 | -1.2234 | |
| 2 | R | A | -1.4059 | |
| 3 | P | A | -1.2567 | |
| 4 | C | A | -0.4249 | |
| 5 | I | A | 0.1534 | |
| 6 | P | A | -0.5618 | |
| 7 | K | A | -0.5363 | |
| 8 | S | A | -0.0682 | |
| 9 | F | A | 0.6589 | |
| 10 | G | A | 0.1144 | |
| 11 | Y | A | 0.5364 | |
| 12 | S | A | -0.1041 | |
| 13 | S | A | 0.0000 | |
| 14 | V | A | -0.0994 | |
| 15 | V | A | 0.0000 | |
| 16 | C | A | 0.0000 | |
| 17 | V | A | 0.0000 | |
| 18 | C | A | 0.0000 | |
| 19 | N | A | -0.6051 | |
| 20 | A | A | -0.3548 | |
| 21 | T | A | -0.0623 | |
| 22 | Y | A | 0.1359 | |
| 23 | C | A | 0.0000 | |
| 24 | D | A | 0.0000 | |
| 25 | S | A | 0.0000 | |
| 26 | F | A | -1.6346 | |
| 27 | D | A | -2.4500 | |
| 28 | P | A | -1.6423 | |
| 29 | P | A | -0.6691 | |
| 30 | T | A | 0.5861 | |
| 31 | F | A | 2.0394 | |
| 32 | P | A | 0.0000 | |
| 33 | A | A | 1.0678 | |
| 34 | L | A | 1.4261 | |
| 35 | G | A | 0.5190 | |
| 36 | T | A | 0.6421 | |
| 37 | F | A | 0.0000 | |
| 38 | S | A | 0.0000 | |
| 39 | R | A | -0.4330 | |
| 40 | Y | A | -0.3481 | |
| 41 | E | A | -1.2528 | |
| 42 | S | A | -1.4425 | |
| 43 | T | A | -1.5453 | |
| 44 | R | A | -1.7417 | |
| 45 | S | A | -1.3210 | |
| 46 | G | A | -1.3773 | |
| 47 | R | A | -2.3145 | |
| 48 | R | A | 0.0000 | |
| 49 | M | A | -1.0135 | |
| 50 | E | A | -1.2768 | |
| 51 | L | A | -0.1900 | |
| 52 | S | A | 0.0783 | |
| 53 | M | A | 0.3951 | |
| 54 | G | A | -0.2587 | |
| 55 | P | A | -0.2139 | |
| 56 | I | A | -0.3562 | |
| 57 | Q | A | -1.2567 | |
| 58 | A | A | -0.9246 | |
| 59 | N | A | -1.6033 | |
| 60 | H | A | -1.3514 | |
| 61 | T | A | -0.7792 | |
| 62 | G | A | -0.9487 | |
| 63 | T | A | -0.5858 | |
| 64 | G | A | -0.6434 | |
| 65 | L | A | -0.5999 | |
| 66 | L | A | -0.3343 | |
| 67 | L | A | 0.0000 | |
| 68 | T | A | 0.2135 | |
| 69 | L | A | 0.0000 | |
| 70 | Q | A | -1.2252 | |
| 71 | P | A | -1.7417 | |
| 72 | E | A | -2.8986 | |
| 73 | Q | A | -2.7307 | |
| 74 | K | A | -2.8946 | |
| 75 | F | A | -1.4002 | |
| 76 | Q | A | -1.1712 | |
| 77 | K | A | -2.2567 | |
| 78 | V | A | 0.0000 | |
| 79 | K | A | -0.9758 | |
| 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 | 0.8786 | |
| 92 | N | A | 0.0000 | |
| 93 | I | A | 0.0000 | |
| 94 | L | A | 0.6966 | |
| 95 | A | A | 0.2284 | |
| 96 | L | A | 0.0000 | |
| 97 | S | A | -0.5329 | |
| 98 | P | A | -0.4767 | |
| 99 | P | A | -0.5383 | |
| 100 | A | A | 0.0000 | |
| 101 | Q | A | -0.4860 | |
| 102 | N | A | -0.5865 | |
| 103 | L | A | -0.2639 | |
| 104 | L | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | K | A | -1.0425 | |
| 107 | S | A | 0.0000 | |
| 108 | Y | A | 0.0000 | |
| 109 | F | A | 0.0000 | |
| 110 | S | A | 0.0000 | |
| 111 | E | A | -2.8861 | |
| 112 | E | A | -2.2881 | |
| 113 | G | A | 0.0000 | |
| 114 | I | A | 0.0000 | |
| 115 | G | A | -1.1973 | |
| 116 | Y | A | 0.0000 | |
| 117 | N | A | -0.6321 | |
| 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 | -0.0104 | |
| 125 | S | A | -0.1707 | |
| 126 | C | A | 0.0000 | |
| 127 | D | A | -0.6003 | |
| 128 | F | A | 0.0000 | |
| 129 | S | A | 0.0000 | |
| 130 | I | A | 0.4523 | |
| 131 | R | A | -0.5574 | |
| 132 | T | A | -0.3549 | |
| 133 | Y | A | 0.0000 | |
| 134 | T | A | -0.4619 | |
| 135 | Y | A | 0.0000 | |
| 136 | A | A | -1.5818 | |
| 137 | D | A | -2.6038 | |
| 138 | T | A | -1.8581 | |
| 139 | P | A | -1.6517 | |
| 140 | D | A | -2.1751 | |
| 141 | D | A | -1.8862 | |
| 142 | F | A | -0.6166 | |
| 143 | Q | A | -1.7037 | |
| 144 | L | A | 0.0000 | |
| 145 | H | A | -2.1584 | |
| 146 | N | A | -2.4042 | |
| 147 | F | A | -1.3315 | |
| 148 | S | A | -0.7242 | |
| 149 | L | A | -0.4322 | |
| 150 | P | A | -1.0455 | |
| 151 | E | A | -2.1412 | |
| 152 | E | A | -1.2457 | |
| 153 | D | A | 0.0000 | |
| 154 | T | A | -1.3869 | |
| 155 | K | A | -2.1872 | |
| 156 | L | A | -0.8316 | |
| 157 | K | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | P | A | -0.6473 | |
| 160 | L | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | H | A | -0.9372 | |
| 163 | R | A | -0.9022 | |
| 164 | A | A | 0.0000 | |
| 165 | L | A | -0.5960 | |
| 166 | Q | A | -1.3610 | |
| 167 | L | A | -1.1892 | |
| 168 | A | A | -1.4586 | |
| 169 | Q | A | -2.1142 | |
| 170 | R | A | -2.5487 | |
| 171 | P | A | -1.2973 | |
| 172 | V | A | -0.6071 | |
| 173 | S | A | 0.0000 | |
| 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 | -0.0897 | |
| 180 | T | A | -0.1783 | |
| 181 | S | A | 0.0000 | |
| 182 | P | A | -0.2363 | |
| 183 | T | A | -0.4369 | |
| 184 | W | A | -0.5780 | |
| 185 | L | A | 0.0000 | |
| 186 | K | A | 0.0000 | |
| 187 | T | A | -1.2142 | |
| 188 | N | A | -1.5781 | |
| 189 | G | A | -0.9214 | |
| 190 | A | A | -0.7796 | |
| 191 | V | A | -0.1770 | |
| 192 | N | A | -0.8631 | |
| 193 | G | A | 0.0000 | |
| 194 | K | A | -1.5068 | |
| 195 | G | A | 0.0000 | |
| 196 | S | A | -1.0025 | |
| 197 | L | A | 0.0000 | |
| 198 | K | A | -1.7236 | |
| 199 | G | A | -1.8269 | |
| 200 | Q | A | -2.1526 | |
| 201 | P | A | -2.1165 | |
| 202 | G | A | -2.1213 | |
| 203 | D | A | -2.4394 | |
| 204 | I | A | -0.5926 | |
| 205 | Y | A | -0.8374 | |
| 206 | H | A | 0.0000 | |
| 207 | Q | A | -1.0523 | |
| 208 | T | A | 0.0000 | |
| 209 | W | A | 0.0000 | |
| 210 | A | A | 0.0000 | |
| 211 | R | A | -1.1828 | |
| 212 | Y | A | 0.0000 | |
| 213 | F | A | 0.0000 | |
| 214 | V | A | -0.7736 | |
| 215 | K | A | -1.1697 | |
| 216 | F | A | 0.0000 | |
| 217 | L | A | 0.0000 | |
| 218 | D | A | -2.2333 | |
| 219 | A | A | -1.6393 | |
| 220 | Y | A | 0.0000 | |
| 221 | A | A | -2.4358 | |
| 222 | E | A | -2.9504 | |
| 223 | H | A | -2.3283 | |
| 224 | K | A | -2.8637 | |
| 225 | L | A | 0.0000 | |
| 226 | Q | A | -2.1489 | |
| 227 | F | A | 0.0000 | |
| 228 | W | A | 0.0000 | |
| 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 | -0.3521 | |
| 235 | E | A | -0.5162 | |
| 236 | P | A | 0.0000 | |
| 237 | S | A | -0.0158 | |
| 238 | A | A | 0.1846 | |
| 239 | G | A | 0.0000 | |
| 240 | L | A | 0.3957 | |
| 241 | L | A | 0.6053 | |
| 242 | S | A | -0.1408 | |
| 243 | G | A | -0.3995 | |
| 244 | Y | A | 0.1319 | |
| 245 | P | A | 0.1431 | |
| 246 | F | A | 1.1294 | |
| 247 | Q | A | -0.3171 | |
| 248 | C | A | 0.0000 | |
| 249 | L | A | 0.0000 | |
| 250 | G | A | 0.0000 | |
| 251 | F | A | 0.0000 | |
| 252 | T | A | -0.5993 | |
| 253 | P | A | -1.2431 | |
| 254 | E | A | -2.0725 | |
| 255 | H | A | -1.4957 | |
| 256 | Q | A | 0.0000 | |
| 257 | R | A | -1.6878 | |
| 258 | D | A | -2.0956 | |
| 259 | F | A | 0.0000 | |
| 260 | I | A | 0.0000 | |
| 261 | A | A | 0.0000 | |
| 262 | R | A | -2.5544 | |
| 263 | D | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | P | A | -0.7827 | |
| 267 | T | A | -0.9267 | |
| 268 | L | A | 0.0000 | |
| 269 | A | A | -1.0235 | |
| 270 | N | A | -1.4771 | |
| 271 | S | A | -1.0950 | |
| 272 | T | A | -0.8959 | |
| 273 | H | A | 0.0000 | |
| 274 | H | A | -1.8094 | |
| 275 | N | A | -1.5930 | |
| 276 | V | A | -1.1458 | |
| 277 | R | A | -1.1948 | |
| 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 | 1.2911 | |
| 287 | L | A | 0.4313 | |
| 288 | L | A | 0.0000 | |
| 289 | P | A | -0.7048 | |
| 290 | H | A | -1.0145 | |
| 291 | W | A | -0.7093 | |
| 292 | A | A | 0.0000 | |
| 293 | K | A | -0.9926 | |
| 294 | V | A | -0.9952 | |
| 295 | V | A | 0.0000 | |
| 296 | L | A | 0.0000 | |
| 297 | T | A | -0.5817 | |
| 298 | D | A | -1.2718 | |
| 299 | P | A | -1.3964 | |
| 300 | E | A | -2.1562 | |
| 301 | A | A | 0.0000 | |
| 302 | A | A | -1.5779 | |
| 303 | K | A | -2.1756 | |
| 304 | Y | A | -1.2267 | |
| 305 | V | A | 0.0000 | |
| 306 | H | A | -1.0797 | |
| 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 | 0.5763 | |
| 313 | Y | A | 0.8683 | |
| 314 | L | A | 1.5212 | |
| 315 | D | A | 0.9268 | |
| 316 | F | A | 2.3972 | |
| 317 | L | A | 2.2573 | |
| 318 | A | A | 0.0000 | |
| 319 | P | A | -0.1550 | |
| 320 | A | A | 0.0000 | |
| 321 | K | A | -2.0184 | |
| 322 | A | A | -1.1291 | |
| 323 | T | A | 0.0000 | |
| 324 | L | A | 0.0000 | |
| 325 | G | A | -1.7759 | |
| 326 | E | A | -2.1290 | |
| 327 | T | A | 0.0000 | |
| 328 | H | A | -1.8678 | |
| 329 | R | A | -2.3378 | |
| 330 | L | A | -1.0566 | |
| 331 | F | A | -0.9233 | |
| 332 | P | A | -1.2086 | |
| 333 | N | A | -1.5553 | |
| 334 | T | A | -0.8733 | |
| 335 | M | A | -0.5488 | |
| 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 | -0.3702 | |
| 346 | K | A | -0.1275 | |
| 347 | F | A | 1.6862 | |
| 348 | W | A | 1.4321 | |
| 349 | E | A | -0.0782 | |
| 350 | Q | A | -1.3910 | |
| 351 | S | A | -1.4756 | |
| 352 | V | A | -1.0508 | |
| 353 | R | A | -1.3485 | |
| 354 | L | A | -0.0577 | |
| 355 | G | A | 0.0000 | |
| 356 | S | A | 0.0000 | |
| 357 | W | A | -0.9138 | |
| 358 | D | A | -2.0745 | |
| 359 | R | A | 0.0000 | |
| 360 | G | A | 0.0000 | |
| 361 | M | A | 0.0000 | |
| 362 | Q | A | -1.2518 | |
| 363 | Y | A | 0.0000 | |
| 364 | S | A | 0.0000 | |
| 365 | H | A | -0.8175 | |
| 366 | S | A | -0.4029 | |
| 367 | I | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | T | A | -0.2604 | |
| 370 | N | A | -0.0224 | |
| 371 | L | A | 0.0000 | |
| 372 | L | A | 0.1894 | |
| 373 | Y | A | -0.2196 | |
| 374 | H | A | -0.2025 | |
| 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 | -0.6867 | |
| 387 | P | A | -1.1277 | |
| 388 | E | A | -2.4905 | |
| 389 | G | A | 0.0000 | |
| 390 | G | A | 0.0000 | |
| 391 | P | A | -0.4345 | |
| 392 | N | A | 0.0000 | |
| 393 | W | A | 0.2474 | |
| 394 | V | A | 0.3103 | |
| 395 | R | A | -1.9228 | |
| 396 | N | A | -2.1072 | |
| 397 | F | A | -1.4846 | |
| 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 | -0.9510 | |
| 406 | I | A | 0.0593 | |
| 407 | T | A | -0.7161 | |
| 408 | K | A | -1.9168 | |
| 409 | D | A | -1.4060 | |
| 410 | T | A | -1.0095 | |
| 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 | -0.7412 | |
| 426 | F | A | 0.0000 | |
| 427 | I | A | 0.0000 | |
| 428 | P | A | -1.1566 | |
| 429 | E | A | -1.5510 | |
| 430 | G | A | -1.4402 | |
| 431 | S | A | 0.0000 | |
| 432 | Q | A | -1.5111 | |
| 433 | R | A | 0.0000 | |
| 434 | V | A | 0.0000 | |
| 435 | G | A | 0.0000 | |
| 436 | L | A | 0.5936 | |
| 437 | V | A | 1.1429 | |
| 438 | A | A | -0.1674 | |
| 439 | S | A | -0.5433 | |
| 440 | Q | A | -1.5176 | |
| 441 | K | A | -2.4431 | |
| 442 | N | A | -2.0129 | |
| 443 | D | A | -2.5961 | |
| 444 | L | A | 0.0000 | |
| 445 | D | A | -1.1999 | |
| 446 | A | A | -0.2497 | |
| 447 | V | A | 0.0000 | |
| 448 | A | A | 0.0000 | |
| 449 | L | A | 0.0000 | |
| 450 | M | A | -0.8856 | |
| 451 | H | A | -1.2326 | |
| 452 | P | A | -1.5769 | |
| 453 | D | A | -2.1586 | |
| 454 | G | A | -1.3944 | |
| 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 | -2.4412 | |
| 464 | S | A | -1.8195 | |
| 465 | S | A | -1.5916 | |
| 466 | K | A | -2.6094 | |
| 467 | D | A | -2.1700 | |
| 468 | V | A | -1.0189 | |
| 469 | P | A | -0.5216 | |
| 470 | L | A | 0.0000 | |
| 471 | T | A | 0.0000 | |
| 472 | I | A | 0.0000 | |
| 473 | K | A | -0.4748 | |
| 474 | D | A | 0.0000 | |
| 475 | P | A | -0.3225 | |
| 476 | A | A | -0.1806 | |
| 477 | V | A | 0.0834 | |
| 478 | G | A | -0.4431 | |
| 479 | F | A | -0.6702 | |
| 480 | L | A | 0.0000 | |
| 481 | E | A | -1.0252 | |
| 482 | T | A | -0.2327 | |
| 483 | I | A | 0.1394 | |
| 484 | S | A | 0.0000 | |
| 485 | P | A | -1.1423 | |
| 486 | G | A | -1.4315 | |
| 487 | Y | A | -0.8987 | |
| 488 | S | A | -0.6694 | |
| 489 | I | A | 0.0000 | |
| 490 | H | A | -0.3043 | |
| 491 | T | A | 0.0000 | |
| 492 | Y | A | 0.0000 | |
| 493 | L | A | 0.3620 | |
| 494 | W | A | 0.0000 | |
| 495 | H | A | 0.0775 | |
| 496 | R | A | -0.5335 | |
| 497 | Q | A | -1.2805 |
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 | -0.271 | 5.7771 | View | CSV | PDB |
| 4.5 | -0.3093 | 5.6787 | View | CSV | PDB |
| 5.0 | -0.3541 | 5.5707 | View | CSV | PDB |
| 5.5 | -0.3965 | 5.4592 | View | CSV | PDB |
| 6.0 | -0.4283 | 5.3467 | View | CSV | PDB |
| 6.5 | -0.4442 | 5.234 | View | CSV | PDB |
| 7.0 | -0.4452 | 5.122 | View | CSV | PDB |
| 7.5 | -0.4367 | 5.0172 | View | CSV | PDB |
| 8.0 | -0.4227 | 5.0173 | View | CSV | PDB |
| 8.5 | -0.4039 | 5.1372 | View | CSV | PDB |
| 9.0 | -0.3789 | 5.2954 | 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