| Chain sequence(s) |
A: MVLSHAVSESDVSVHSTFASRYVRTSLPRFKMPENSIPKEAAYQIINDELMLDGNPRLNLASFVTTWMEPECDKLIMSSINKNYVDMDEYPVTTELQNRCVNMIAHLFNAPLEEAETAVGVGTVGSSEAIMLAGLAFKRKWQNKRKAEGKPVDKPNIVTGANVQVCWEKFARYFEVELKEVKLSEGYYVMDPQQAVDMVDENTICVAAILGSTLNGEFEDVKLLNDLLVEKNKETGWDTPIHVDAASGGFIAPFLYPELEWDFRLPLVKSINVSGHKYGLVYAGIGWVIWRNKEDLPEELIFHINYLGADQPTFTLNFSKGSSQVIAQYYQLIRLGHEGYRNVMENCRENMIVLREGLEKTERFNIVSKDEGVPLVAFSLKDSSCHTEFEISDMLRRYGWIVPAYTMPPNAQHITVLRVVIREDFSRTLAERLVIDIEKVMRELDELPSRVIHKISLGQEKSESNSDNLMVTVKKSDIDKQRDIITGWKKFVADRKKTSGIC
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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:07:51)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/4aadd0762b81aef/tmp/folded.pdb (00:07:51)
[INFO] Main: Simulation completed successfully. (00:10:07)
|
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 | 2.2851 | |
| 2 | V | A | 2.8532 | |
| 3 | L | A | 2.3040 | |
| 4 | S | A | 0.9311 | |
| 5 | H | A | 0.0498 | |
| 6 | A | A | 0.3025 | |
| 7 | V | A | 0.6799 | |
| 8 | S | A | -0.7158 | |
| 9 | E | A | -1.8376 | |
| 10 | S | A | -1.3105 | |
| 11 | D | A | -1.3852 | |
| 12 | V | A | 0.1436 | |
| 13 | S | A | 0.0556 | |
| 14 | V | A | 1.2218 | |
| 15 | H | A | -0.0307 | |
| 16 | S | A | -0.1359 | |
| 17 | T | A | 0.1029 | |
| 18 | F | A | 1.3116 | |
| 19 | A | A | 0.2892 | |
| 20 | S | A | -0.5827 | |
| 21 | R | A | -2.0264 | |
| 22 | Y | A | -0.5655 | |
| 23 | V | A | -0.4003 | |
| 24 | R | A | -1.9405 | |
| 25 | T | A | -1.1398 | |
| 26 | S | A | -0.6667 | |
| 27 | L | A | -0.1119 | |
| 28 | P | A | -0.6918 | |
| 29 | R | A | -1.2265 | |
| 30 | F | A | 0.4200 | |
| 31 | K | A | -1.0515 | |
| 32 | M | A | -0.3371 | |
| 33 | P | A | -1.2468 | |
| 34 | E | A | -2.4307 | |
| 35 | N | A | -1.9699 | |
| 36 | S | A | -1.1062 | |
| 37 | I | A | -0.5018 | |
| 38 | P | A | -0.9453 | |
| 39 | K | A | -2.1227 | |
| 40 | E | A | -2.1643 | |
| 41 | A | A | 0.0000 | |
| 42 | A | A | -0.0290 | |
| 43 | Y | A | 0.2827 | |
| 44 | Q | A | -0.1304 | |
| 45 | I | A | 0.4329 | |
| 46 | I | A | 0.9807 | |
| 47 | N | A | 0.3214 | |
| 48 | D | A | -0.3947 | |
| 49 | E | A | -0.8690 | |
| 50 | L | A | 0.6030 | |
| 51 | M | A | 0.7429 | |
| 52 | L | A | 0.6518 | |
| 53 | D | A | -1.0951 | |
| 54 | G | A | -1.3141 | |
| 55 | N | A | -1.7455 | |
| 56 | P | A | -1.3567 | |
| 57 | R | A | -1.0548 | |
| 58 | L | A | -0.7628 | |
| 59 | N | A | -0.8269 | |
| 60 | L | A | 0.0000 | |
| 61 | A | A | -0.0250 | |
| 62 | S | A | -0.0745 | |
| 63 | F | A | 0.0000 | |
| 64 | V | A | 0.3736 | |
| 65 | T | A | 0.0000 | |
| 66 | T | A | -0.1054 | |
| 67 | W | A | 0.1513 | |
| 68 | M | A | 0.0000 | |
| 69 | E | A | -1.3338 | |
| 70 | P | A | -1.8771 | |
| 71 | E | A | -2.7208 | |
| 72 | C | A | 0.0000 | |
| 73 | D | A | -1.8276 | |
| 74 | K | A | -2.2332 | |
| 75 | L | A | -0.4821 | |
| 76 | I | A | 0.0667 | |
| 77 | M | A | 0.8264 | |
| 78 | S | A | 0.1991 | |
| 79 | S | A | 0.0000 | |
| 80 | I | A | 1.4244 | |
| 81 | N | A | -0.5969 | |
| 82 | K | A | -1.0548 | |
| 83 | N | A | -0.9163 | |
| 84 | Y | A | 0.0000 | |
| 85 | V | A | 0.0000 | |
| 86 | D | A | -0.9716 | |
| 87 | M | A | -1.1799 | |
| 88 | D | A | -1.8645 | |
| 89 | E | A | -2.1233 | |
| 90 | Y | A | -0.8749 | |
| 91 | P | A | -0.4788 | |
| 92 | V | A | 0.7883 | |
| 93 | T | A | 0.0000 | |
| 94 | T | A | -0.9517 | |
| 95 | E | A | -1.7474 | |
| 96 | L | A | -0.9846 | |
| 97 | Q | A | 0.0000 | |
| 98 | N | A | -1.8157 | |
| 99 | R | A | -2.5117 | |
| 100 | C | A | 0.0000 | |
| 101 | V | A | 0.0000 | |
| 102 | N | A | -1.2042 | |
| 103 | M | A | -0.4046 | |
| 104 | I | A | 0.0000 | |
| 105 | A | A | 0.0000 | |
| 106 | H | A | -0.8655 | |
| 107 | L | A | -0.4794 | |
| 108 | F | A | 0.0000 | |
| 109 | N | A | -1.7513 | |
| 110 | A | A | -1.2754 | |
| 111 | P | A | -1.2967 | |
| 112 | L | A | -1.9895 | |
| 113 | E | A | -3.1353 | |
| 114 | E | A | -3.1201 | |
| 115 | A | A | -2.3246 | |
| 116 | E | A | -2.7810 | |
| 117 | T | A | -1.6505 | |
| 118 | A | A | 0.0000 | |
| 119 | V | A | -0.6979 | |
| 120 | G | A | -0.2128 | |
| 121 | V | A | 0.1415 | |
| 122 | G | A | 0.0000 | |
| 123 | T | A | 0.0000 | |
| 124 | V | A | 0.4554 | |
| 125 | G | A | 0.0000 | |
| 126 | S | A | 0.0000 | |
| 127 | S | A | 0.0857 | |
| 128 | E | A | 0.0000 | |
| 129 | A | A | 0.0000 | |
| 130 | I | A | 0.0000 | |
| 131 | M | A | 0.4087 | |
| 132 | L | A | 0.0000 | |
| 133 | A | A | 0.0000 | |
| 134 | G | A | 0.0000 | |
| 135 | L | A | 0.0372 | |
| 136 | A | A | 0.0000 | |
| 137 | F | A | 0.0000 | |
| 138 | K | A | -0.8414 | |
| 139 | R | A | -1.5701 | |
| 140 | K | A | -2.1595 | |
| 141 | W | A | 0.0000 | |
| 142 | Q | A | -2.2020 | |
| 143 | N | A | -2.2629 | |
| 144 | K | A | -2.6989 | |
| 145 | R | A | -3.0110 | |
| 146 | K | A | -3.3209 | |
| 147 | A | A | -2.4503 | |
| 148 | E | A | -3.3440 | |
| 149 | G | A | -2.7761 | |
| 150 | K | A | -3.1384 | |
| 151 | P | A | -2.2999 | |
| 152 | V | A | -2.1666 | |
| 153 | D | A | -2.9396 | |
| 154 | K | A | -3.2908 | |
| 155 | P | A | 0.0000 | |
| 156 | N | A | 0.0000 | |
| 157 | I | A | 0.0000 | |
| 158 | V | A | 0.0000 | |
| 159 | T | A | 0.0000 | |
| 160 | G | A | 0.0000 | |
| 161 | A | A | -1.0950 | |
| 162 | N | A | 0.0000 | |
| 163 | V | A | -0.0306 | |
| 164 | Q | A | -0.0761 | |
| 165 | V | A | 0.5811 | |
| 166 | C | A | 0.0000 | |
| 167 | W | A | 0.0000 | |
| 168 | E | A | -1.1800 | |
| 169 | K | A | -1.1279 | |
| 170 | F | A | 0.0000 | |
| 171 | A | A | 0.0000 | |
| 172 | R | A | -2.3873 | |
| 173 | Y | A | -0.1936 | |
| 174 | F | A | -0.7565 | |
| 175 | E | A | -2.8097 | |
| 176 | V | A | 0.0000 | |
| 177 | E | A | -3.0461 | |
| 178 | L | A | -1.7033 | |
| 179 | K | A | -1.2718 | |
| 180 | E | A | -1.8083 | |
| 181 | V | A | 0.0000 | |
| 182 | K | A | -2.2948 | |
| 183 | L | A | 0.0000 | |
| 184 | S | A | -1.8280 | |
| 185 | E | A | -2.3604 | |
| 186 | G | A | -0.9538 | |
| 187 | Y | A | -0.2835 | |
| 188 | Y | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | M | A | 0.0000 | |
| 191 | D | A | -1.1776 | |
| 192 | P | A | 0.0000 | |
| 193 | Q | A | -1.7279 | |
| 194 | Q | A | -2.4410 | |
| 195 | A | A | 0.0000 | |
| 196 | V | A | 0.0000 | |
| 197 | D | A | -2.3162 | |
| 198 | M | A | -1.2345 | |
| 199 | V | A | 0.0000 | |
| 200 | D | A | -1.0515 | |
| 201 | E | A | -1.6437 | |
| 202 | N | A | -1.7160 | |
| 203 | T | A | 0.0000 | |
| 204 | I | A | 0.0000 | |
| 205 | C | A | 0.0000 | |
| 206 | V | A | 0.0000 | |
| 207 | A | A | 0.0000 | |
| 208 | A | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | L | A | 0.0000 | |
| 211 | G | A | 0.0075 | |
| 212 | S | A | 0.0000 | |
| 213 | T | A | -0.0668 | |
| 214 | L | A | 0.0755 | |
| 215 | N | A | 0.0000 | |
| 216 | G | A | 0.0000 | |
| 217 | E | A | -1.1519 | |
| 218 | F | A | -0.6174 | |
| 219 | E | A | 0.0000 | |
| 220 | D | A | -1.6021 | |
| 221 | V | A | 0.0000 | |
| 222 | K | A | -1.4342 | |
| 223 | L | A | -0.5469 | |
| 224 | L | A | 0.0000 | |
| 225 | N | A | 0.0000 | |
| 226 | D | A | -0.8604 | |
| 227 | L | A | -0.9087 | |
| 228 | L | A | 0.0000 | |
| 229 | V | A | -1.6575 | |
| 230 | E | A | -2.9153 | |
| 231 | K | A | -2.7756 | |
| 232 | N | A | -2.7463 | |
| 233 | K | A | -3.6131 | |
| 234 | E | A | -3.2395 | |
| 235 | T | A | -2.3018 | |
| 236 | G | A | -2.1908 | |
| 237 | W | A | -1.7871 | |
| 238 | D | A | -2.2022 | |
| 239 | T | A | 0.0000 | |
| 240 | P | A | -0.5012 | |
| 241 | I | A | 0.0000 | |
| 242 | H | A | 0.0000 | |
| 243 | V | A | 0.0000 | |
| 244 | D | A | 0.0000 | |
| 245 | A | A | 0.0000 | |
| 246 | A | A | -0.1390 | |
| 247 | S | A | 0.0000 | |
| 248 | G | A | 0.0000 | |
| 249 | G | A | 0.0000 | |
| 250 | F | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | A | A | 0.0000 | |
| 253 | P | A | 0.0000 | |
| 254 | F | A | 0.0000 | |
| 255 | L | A | -0.9032 | |
| 256 | Y | A | -0.6432 | |
| 257 | P | A | -0.8797 | |
| 258 | E | A | -1.8512 | |
| 259 | L | A | -1.2704 | |
| 260 | E | A | -1.9519 | |
| 261 | W | A | 0.0000 | |
| 262 | D | A | 0.0000 | |
| 263 | F | A | 0.0000 | |
| 264 | R | A | -1.6495 | |
| 265 | L | A | 0.0000 | |
| 266 | P | A | -0.6147 | |
| 267 | L | A | -0.5962 | |
| 268 | V | A | 0.0000 | |
| 269 | K | A | -0.7431 | |
| 270 | S | A | 0.0000 | |
| 271 | I | A | 0.0000 | |
| 272 | N | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | S | A | 0.0000 | |
| 275 | G | A | 0.0000 | |
| 276 | H | A | 0.0484 | |
| 277 | K | A | -0.1207 | |
| 278 | Y | A | 0.0000 | |
| 279 | G | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | V | A | 0.0000 | |
| 282 | Y | A | 0.3148 | |
| 283 | A | A | 0.2230 | |
| 284 | G | A | -0.0034 | |
| 285 | I | A | 0.0000 | |
| 286 | G | A | 0.0000 | |
| 287 | W | A | 0.0000 | |
| 288 | V | A | 0.0000 | |
| 289 | I | A | 0.0000 | |
| 290 | W | A | 0.0000 | |
| 291 | R | A | -1.4194 | |
| 292 | N | A | -1.8879 | |
| 293 | K | A | -2.8912 | |
| 294 | E | A | -2.9539 | |
| 295 | D | A | -2.1336 | |
| 296 | L | A | 0.0000 | |
| 297 | P | A | 0.0000 | |
| 298 | E | A | -2.7154 | |
| 299 | E | A | -1.8800 | |
| 300 | L | A | -0.5004 | |
| 301 | I | A | 0.2630 | |
| 302 | F | A | 0.8721 | |
| 303 | H | A | -0.5673 | |
| 304 | I | A | 0.0000 | |
| 305 | N | A | -1.5010 | |
| 306 | Y | A | 0.2778 | |
| 307 | L | A | -0.3788 | |
| 308 | G | A | -1.1480 | |
| 309 | A | A | -1.6874 | |
| 310 | D | A | -2.3026 | |
| 311 | Q | A | 0.0000 | |
| 312 | P | A | -0.5799 | |
| 313 | T | A | 0.6171 | |
| 314 | F | A | 0.0000 | |
| 315 | T | A | 0.9973 | |
| 316 | L | A | 1.0737 | |
| 317 | N | A | 0.5330 | |
| 318 | F | A | 0.9794 | |
| 319 | S | A | -0.1371 | |
| 320 | K | A | -0.4413 | |
| 321 | G | A | -0.5370 | |
| 322 | S | A | 0.0000 | |
| 323 | S | A | 0.0000 | |
| 324 | Q | A | 0.1885 | |
| 325 | V | A | 0.0000 | |
| 326 | I | A | 0.5728 | |
| 327 | A | A | 0.0000 | |
| 328 | Q | A | 0.0000 | |
| 329 | Y | A | 0.3431 | |
| 330 | Y | A | 0.3945 | |
| 331 | Q | A | 0.0000 | |
| 332 | L | A | 0.5796 | |
| 333 | I | A | 1.4261 | |
| 334 | R | A | -0.5980 | |
| 335 | L | A | -0.8228 | |
| 336 | G | A | -0.8211 | |
| 337 | H | A | -1.9852 | |
| 338 | E | A | -3.0066 | |
| 339 | G | A | -2.0006 | |
| 340 | Y | A | 0.0000 | |
| 341 | R | A | -2.9240 | |
| 342 | N | A | -3.1950 | |
| 343 | V | A | -2.2584 | |
| 344 | M | A | 0.0000 | |
| 345 | E | A | -3.6169 | |
| 346 | N | A | -3.4560 | |
| 347 | C | A | 0.0000 | |
| 348 | R | A | -2.8731 | |
| 349 | E | A | -2.8865 | |
| 350 | N | A | 0.0000 | |
| 351 | M | A | 0.0000 | |
| 352 | I | A | -1.0761 | |
| 353 | V | A | -0.9128 | |
| 354 | L | A | 0.0000 | |
| 355 | R | A | 0.0000 | |
| 356 | E | A | -1.9346 | |
| 357 | G | A | -1.7545 | |
| 358 | L | A | 0.0000 | |
| 359 | E | A | -3.7446 | |
| 360 | K | A | -3.5323 | |
| 361 | T | A | -2.7286 | |
| 362 | E | A | -3.7290 | |
| 363 | R | A | -3.2806 | |
| 364 | F | A | 0.0000 | |
| 365 | N | A | -2.4614 | |
| 366 | I | A | -1.3499 | |
| 367 | V | A | -0.5477 | |
| 368 | S | A | 0.0000 | |
| 369 | K | A | -2.8428 | |
| 370 | D | A | -3.1408 | |
| 371 | E | A | -2.5605 | |
| 372 | G | A | 0.0000 | |
| 373 | V | A | 0.0000 | |
| 374 | P | A | 0.0000 | |
| 375 | L | A | 0.0000 | |
| 376 | V | A | 0.0000 | |
| 377 | A | A | 0.0000 | |
| 378 | F | A | 0.0000 | |
| 379 | S | A | -1.0447 | |
| 380 | L | A | -2.0592 | |
| 381 | K | A | -3.4111 | |
| 382 | D | A | -2.9650 | |
| 383 | S | A | -1.4531 | |
| 384 | S | A | -1.0591 | |
| 385 | C | A | -0.5679 | |
| 386 | H | A | -0.7391 | |
| 387 | T | A | -0.2556 | |
| 388 | E | A | 0.0000 | |
| 389 | F | A | 0.4891 | |
| 390 | E | A | -0.4402 | |
| 391 | I | A | 0.0000 | |
| 392 | S | A | -0.9425 | |
| 393 | D | A | -2.1598 | |
| 394 | M | A | -1.6387 | |
| 395 | L | A | 0.0000 | |
| 396 | R | A | -2.3126 | |
| 397 | R | A | -2.4838 | |
| 398 | Y | A | -1.0984 | |
| 399 | G | A | -1.2625 | |
| 400 | W | A | 0.0000 | |
| 401 | I | A | -0.8755 | |
| 402 | V | A | 0.0000 | |
| 403 | P | A | -0.0582 | |
| 404 | A | A | 0.1487 | |
| 405 | Y | A | 0.2661 | |
| 406 | T | A | -0.4816 | |
| 407 | M | A | 0.0000 | |
| 408 | P | A | -1.0792 | |
| 409 | P | A | -1.7814 | |
| 410 | N | A | -2.5741 | |
| 411 | A | A | 0.0000 | |
| 412 | Q | A | -2.2213 | |
| 413 | H | A | -1.9049 | |
| 414 | I | A | -1.0830 | |
| 415 | T | A | -0.1676 | |
| 416 | V | A | 0.0000 | |
| 417 | L | A | 0.0000 | |
| 418 | R | A | -0.0884 | |
| 419 | V | A | 0.0000 | |
| 420 | V | A | 0.0000 | |
| 421 | I | A | 0.0000 | |
| 422 | R | A | 0.0000 | |
| 423 | E | A | -0.9642 | |
| 424 | D | A | 0.0000 | |
| 425 | F | A | 0.0000 | |
| 426 | S | A | -1.0386 | |
| 427 | R | A | -1.5545 | |
| 428 | T | A | -0.9635 | |
| 429 | L | A | -0.5462 | |
| 430 | A | A | 0.0000 | |
| 431 | E | A | -1.4105 | |
| 432 | R | A | -0.8681 | |
| 433 | L | A | 0.0000 | |
| 434 | V | A | -0.1194 | |
| 435 | I | A | 0.6439 | |
| 436 | D | A | 0.0000 | |
| 437 | I | A | 0.0000 | |
| 438 | E | A | -1.1476 | |
| 439 | K | A | -1.7527 | |
| 440 | V | A | 0.0000 | |
| 441 | M | A | 0.0000 | |
| 442 | R | A | -3.5384 | |
| 443 | E | A | -2.6841 | |
| 444 | L | A | 0.0000 | |
| 445 | D | A | -3.3942 | |
| 446 | E | A | -3.0291 | |
| 447 | L | A | -1.3534 | |
| 448 | P | A | -0.3573 | |
| 449 | S | A | -0.5805 | |
| 450 | R | A | -0.8448 | |
| 451 | V | A | 0.8239 | |
| 452 | I | A | 1.8543 | |
| 453 | H | A | 0.0187 | |
| 454 | K | A | -0.6204 | |
| 455 | I | A | 1.4155 | |
| 456 | S | A | 0.2570 | |
| 457 | L | A | -0.4266 | |
| 458 | G | A | -1.5276 | |
| 459 | Q | A | -2.6790 | |
| 460 | E | A | -3.6640 | |
| 461 | K | A | -3.6895 | |
| 462 | S | A | -2.8719 | |
| 463 | E | A | -3.1578 | |
| 464 | S | A | -2.2344 | |
| 465 | N | A | -2.5381 | |
| 466 | S | A | -2.0665 | |
| 467 | D | A | -2.3798 | |
| 468 | N | A | -1.1667 | |
| 469 | L | A | 1.4675 | |
| 470 | M | A | 2.3230 | |
| 471 | V | A | 2.7767 | |
| 472 | T | A | 1.4570 | |
| 473 | V | A | 1.0659 | |
| 474 | K | A | -1.8086 | |
| 475 | K | A | -2.6462 | |
| 476 | S | A | -2.1175 | |
| 477 | D | A | -2.6863 | |
| 478 | I | A | -0.7673 | |
| 479 | D | A | -2.6659 | |
| 480 | K | A | -2.8786 | |
| 481 | Q | A | -2.1854 | |
| 482 | R | A | -2.8075 | |
| 483 | D | A | -2.9560 | |
| 484 | I | A | -1.3088 | |
| 485 | I | A | -0.8901 | |
| 486 | T | A | -1.6292 | |
| 487 | G | A | -1.4225 | |
| 488 | W | A | -0.7054 | |
| 489 | K | A | -1.9948 | |
| 490 | K | A | -2.6074 | |
| 491 | F | A | -1.3454 | |
| 492 | V | A | -1.5638 | |
| 493 | A | A | -2.7329 | |
| 494 | D | A | -3.8722 | |
| 495 | R | A | -3.7929 | |
| 496 | K | A | -3.9141 | |
| 497 | K | A | -3.5286 | |
| 498 | T | A | -2.2470 | |
| 499 | S | A | -1.4830 | |
| 500 | G | A | -0.3656 | |
| 501 | I | A | 1.8911 | |
| 502 | C | A | 1.5743 |
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 | -0.6466 | 3.5814 | View | CSV | PDB |
| 4.5 | -0.7391 | 3.456 | View | CSV | PDB |
| 5.0 | -0.8532 | 3.3144 | View | CSV | PDB |
| 5.5 | -0.9676 | 3.2003 | View | CSV | PDB |
| 6.0 | -1.0608 | 3.1366 | View | CSV | PDB |
| 6.5 | -1.1173 | 3.1565 | View | CSV | PDB |
| 7.0 | -1.1351 | 3.1979 | View | CSV | PDB |
| 7.5 | -1.1253 | 3.2478 | View | CSV | PDB |
| 8.0 | -1.1002 | 3.3014 | View | CSV | PDB |
| 8.5 | -1.0642 | 3.3561 | View | CSV | PDB |
| 9.0 | -1.0166 | 3.411 | 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