| Chain sequence(s) |
A: TIPPHVQKSVNNDMIVTDNNGAVKFPQLCKFCDVRFSTCDNQKSCMSNCSITSICEKPQEVCVAVWRKNDENITLETVCHDPKLPYHDFILEDAASPKCIMKEKKKPGETFFMCSCSSDECNDNIIFSEEYNTSNPDLLLVIFQGGGGSGGGGSGGGGSQVQLVESGGGLVQPGGSLRLSCAASGFTFSNYYMSWVRQAPGKGLEWVSGIRSDGGSTYYADSVKGRFTISRDNAKSTLYLQMNSLKPEDTALYYCAKGTTLVPFDYWGQGTQVTVSSGGGGSGGGGSGGGGSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVESKYGPPCPPCPAPEFEGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLWCLVKGFYPSDIAVEWESNGQPENNYKTTPPMLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGGGGGSGGGGSGGGGSEVQLVESGGGLVQPGDSLRLSCAASGRAFSSYAMGWFRQAPGKEREFVAAIGWGGSKTNYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYSCAAKFVNTDSTWSRSEYYDYWGQGTQVTVSS
B: YLWSSDTQHSRVLSLYNTINPEASASPCCVSQDLEPLTILYYIGKTPKIEQLSNMIVKSCKCS input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| 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 all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:14:59)
[INFO] Main: Simulation completed successfully. (00:15:12)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | T | A | 1.0793 | |
| 2 | I | A | 2.0081 | |
| 3 | P | A | 0.3867 | |
| 4 | P | A | -0.5109 | |
| 5 | H | A | -0.8155 | |
| 6 | V | A | -0.7719 | |
| 7 | Q | A | -1.7140 | |
| 8 | K | A | -1.9715 | |
| 9 | S | A | -0.9760 | |
| 10 | V | A | -0.5492 | |
| 11 | N | A | -1.9743 | |
| 12 | N | A | -2.0389 | |
| 13 | D | A | -1.9510 | |
| 14 | M | A | -0.1227 | |
| 15 | I | A | 1.8359 | |
| 16 | V | A | 1.0985 | |
| 17 | T | A | 0.1442 | |
| 18 | D | A | -1.9010 | |
| 19 | N | A | -2.2835 | |
| 20 | N | A | -2.1821 | |
| 21 | G | A | -1.4547 | |
| 22 | A | A | -0.3213 | |
| 23 | V | A | 1.5584 | |
| 24 | K | A | 0.5736 | |
| 25 | F | A | 2.0818 | |
| 26 | P | A | 0.0000 | |
| 27 | Q | A | -0.6200 | |
| 28 | L | A | -0.0622 | |
| 29 | C | A | 0.0000 | |
| 30 | K | A | -0.7589 | |
| 31 | F | A | 0.0000 | |
| 32 | C | A | 0.0000 | |
| 33 | D | A | -0.9156 | |
| 34 | V | A | -0.7756 | |
| 35 | R | A | -1.9233 | |
| 36 | F | A | -1.2596 | |
| 37 | S | A | -1.0999 | |
| 38 | T | A | -0.9992 | |
| 39 | C | A | -1.1429 | |
| 40 | D | A | -1.6710 | |
| 41 | N | A | -0.7255 | |
| 42 | Q | A | 0.0000 | |
| 43 | K | A | -0.2216 | |
| 44 | S | A | -0.5542 | |
| 45 | C | A | 0.0000 | |
| 46 | M | A | -0.6151 | |
| 47 | S | A | -0.4208 | |
| 48 | N | A | 0.1236 | |
| 49 | C | A | 0.0000 | |
| 50 | S | A | -0.0541 | |
| 51 | I | A | 0.6224 | |
| 52 | T | A | 0.1208 | |
| 53 | S | A | 0.1663 | |
| 54 | I | A | 0.2559 | |
| 55 | C | A | 0.0000 | |
| 56 | E | A | -2.1686 | |
| 57 | K | A | -2.2340 | |
| 58 | P | A | -1.0999 | |
| 59 | Q | A | -1.7409 | |
| 60 | E | A | -1.3293 | |
| 61 | V | A | 0.0000 | |
| 62 | C | A | 0.0000 | |
| 63 | V | A | 0.0000 | |
| 64 | A | A | 0.0000 | |
| 65 | V | A | 0.0000 | |
| 66 | W | A | 0.0000 | |
| 67 | R | A | -1.3294 | |
| 68 | K | A | -2.1857 | |
| 69 | N | A | -2.7020 | |
| 70 | D | A | -3.2495 | |
| 71 | E | A | -3.1354 | |
| 72 | N | A | -2.3567 | |
| 73 | I | A | -1.7766 | |
| 74 | T | A | -1.2370 | |
| 75 | L | A | 0.0000 | |
| 76 | E | A | -0.9922 | |
| 77 | T | A | 0.0000 | |
| 78 | V | A | 0.0608 | |
| 79 | C | A | -0.3290 | |
| 80 | H | A | -0.6865 | |
| 81 | D | A | -0.8449 | |
| 82 | P | A | -0.4757 | |
| 83 | K | A | -0.9664 | |
| 84 | L | A | 0.3833 | |
| 85 | P | A | -0.1341 | |
| 86 | Y | A | 0.0000 | |
| 87 | H | A | -1.1261 | |
| 88 | D | A | -1.7342 | |
| 89 | F | A | 0.0000 | |
| 90 | I | A | 0.9047 | |
| 91 | L | A | 0.5838 | |
| 92 | E | A | 0.1645 | |
| 93 | D | A | -0.1171 | |
| 94 | A | A | -0.3971 | |
| 95 | A | A | -0.2363 | |
| 96 | S | A | 0.0000 | |
| 97 | P | A | -0.6537 | |
| 98 | K | A | -0.9538 | |
| 99 | C | A | 0.0000 | |
| 100 | I | A | 0.0000 | |
| 101 | M | A | 0.0000 | |
| 102 | K | A | 0.0000 | |
| 103 | E | A | -0.4863 | |
| 104 | K | A | 0.0000 | |
| 105 | K | A | -0.5586 | |
| 106 | K | A | -0.5476 | |
| 107 | P | A | -0.1896 | |
| 108 | G | A | -1.1121 | |
| 109 | E | A | -1.4771 | |
| 110 | T | A | -1.0763 | |
| 111 | F | A | 0.0000 | |
| 112 | F | A | 0.0000 | |
| 113 | M | A | 0.0000 | |
| 114 | C | A | 0.0000 | |
| 115 | S | A | 0.0000 | |
| 116 | C | A | 0.0000 | |
| 117 | S | A | -0.8721 | |
| 118 | S | A | -1.3101 | |
| 119 | D | A | -2.1075 | |
| 120 | E | A | -2.4286 | |
| 121 | C | A | 0.0000 | |
| 122 | N | A | 0.0000 | |
| 123 | D | A | -2.8716 | |
| 124 | N | A | -1.9970 | |
| 125 | I | A | -0.7148 | |
| 126 | I | A | -0.3219 | |
| 127 | F | A | 0.0000 | |
| 128 | S | A | 0.0000 | |
| 129 | E | A | -2.4121 | |
| 130 | E | A | -2.0051 | |
| 131 | Y | A | -1.3306 | |
| 132 | N | A | -1.8359 | |
| 133 | T | A | -0.8313 | |
| 134 | S | A | 0.0000 | |
| 135 | N | A | -0.8407 | |
| 136 | P | A | -1.0009 | |
| 137 | D | A | -1.4090 | |
| 138 | L | A | -0.1756 | |
| 139 | L | A | 0.7566 | |
| 140 | L | A | 0.8699 | |
| 141 | V | A | 1.1291 | |
| 142 | I | A | 1.4009 | |
| 143 | F | A | 1.1906 | |
| 144 | Q | A | -0.6766 | |
| 145 | G | A | -0.7329 | |
| 146 | G | A | -1.0767 | |
| 147 | G | A | -0.8799 | |
| 148 | G | A | -1.2772 | |
| 149 | S | A | -0.9804 | |
| 150 | G | A | -1.1676 | |
| 151 | G | A | -1.2227 | |
| 152 | G | A | -1.1405 | |
| 153 | G | A | -1.2645 | |
| 154 | S | A | -1.0704 | |
| 155 | G | A | -1.1087 | |
| 156 | G | A | -0.7890 | |
| 157 | G | A | -0.6093 | |
| 158 | G | A | -0.0191 | |
| 159 | S | A | -0.7333 | |
| 160 | Q | A | -1.2301 | |
| 161 | V | A | -0.5307 | |
| 162 | Q | A | -1.2796 | |
| 163 | L | A | 0.0000 | |
| 164 | V | A | 0.5821 | |
| 165 | E | A | -0.1686 | |
| 166 | S | A | -0.4476 | |
| 167 | G | A | -0.9368 | |
| 168 | G | A | -0.7454 | |
| 169 | G | A | 0.2095 | |
| 170 | L | A | 1.0316 | |
| 171 | V | A | -0.1357 | |
| 172 | Q | A | -1.4507 | |
| 173 | P | A | -1.8741 | |
| 174 | G | A | -1.4314 | |
| 175 | G | A | -1.1108 | |
| 176 | S | A | -1.2424 | |
| 177 | L | A | -1.0867 | |
| 178 | R | A | -2.0799 | |
| 179 | L | A | 0.0000 | |
| 180 | S | A | -0.4944 | |
| 181 | C | A | 0.0000 | |
| 182 | A | A | -0.1372 | |
| 183 | A | A | 0.0000 | |
| 184 | S | A | -0.9243 | |
| 185 | G | A | -0.9578 | |
| 186 | F | A | -0.3356 | |
| 187 | T | A | -0.7645 | |
| 188 | F | A | 0.0000 | |
| 189 | S | A | -1.5766 | |
| 190 | N | A | -1.5858 | |
| 191 | Y | A | -0.6643 | |
| 192 | Y | A | -0.4352 | |
| 193 | M | A | 0.0000 | |
| 194 | S | A | 0.0000 | |
| 195 | W | A | 0.0000 | |
| 196 | V | A | 0.0000 | |
| 197 | R | A | -0.1641 | |
| 198 | Q | A | -0.4904 | |
| 199 | A | A | -1.1410 | |
| 200 | P | A | -0.9614 | |
| 201 | G | A | -1.7336 | |
| 202 | K | A | -2.3425 | |
| 203 | G | A | -1.0796 | |
| 204 | L | A | 0.7073 | |
| 205 | E | A | 0.0175 | |
| 206 | W | A | 0.5574 | |
| 207 | V | A | 0.0000 | |
| 208 | S | A | 0.0000 | |
| 209 | G | A | 0.0000 | |
| 210 | I | A | 0.0000 | |
| 211 | R | A | -1.8820 | |
| 212 | S | A | -1.9539 | |
| 213 | D | A | -2.6602 | |
| 214 | G | A | -2.0214 | |
| 215 | G | A | -1.3522 | |
| 216 | S | A | -0.9177 | |
| 217 | T | A | -0.3227 | |
| 218 | Y | A | 0.1403 | |
| 219 | Y | A | -0.4316 | |
| 220 | A | A | -1.1715 | |
| 221 | D | A | -2.5613 | |
| 222 | S | A | -1.6611 | |
| 223 | V | A | 0.0000 | |
| 224 | K | A | -2.6807 | |
| 225 | G | A | -1.8928 | |
| 226 | R | A | -1.7142 | |
| 227 | F | A | 0.0000 | |
| 228 | T | A | -0.8126 | |
| 229 | I | A | 0.0000 | |
| 230 | S | A | -0.4556 | |
| 231 | R | A | -0.9700 | |
| 232 | D | A | -1.5142 | |
| 233 | N | A | -2.0100 | |
| 234 | A | A | -1.5267 | |
| 235 | K | A | -2.1948 | |
| 236 | S | A | -1.5120 | |
| 237 | T | A | 0.0000 | |
| 238 | L | A | 0.0000 | |
| 239 | Y | A | -0.6115 | |
| 240 | L | A | 0.0000 | |
| 241 | Q | A | -1.2988 | |
| 242 | M | A | 0.0000 | |
| 243 | N | A | -1.6682 | |
| 244 | S | A | -1.3846 | |
| 245 | L | A | 0.0000 | |
| 246 | K | A | -2.3309 | |
| 247 | P | A | -1.8918 | |
| 248 | E | A | -2.2843 | |
| 249 | D | A | 0.0000 | |
| 250 | T | A | -0.8288 | |
| 251 | A | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | Y | A | 0.0000 | |
| 254 | Y | A | -0.0401 | |
| 255 | C | A | 0.0000 | |
| 256 | A | A | 0.0000 | |
| 257 | K | A | 0.0000 | |
| 258 | G | A | 0.0000 | |
| 259 | T | A | 0.5176 | |
| 260 | T | A | 0.7287 | |
| 261 | L | A | 1.9574 | |
| 262 | V | A | 1.3780 | |
| 263 | P | A | 0.5801 | |
| 264 | F | A | 0.7956 | |
| 265 | D | A | 0.4260 | |
| 266 | Y | A | 0.5087 | |
| 267 | W | A | 0.4839 | |
| 268 | G | A | -0.1855 | |
| 269 | Q | A | -1.0717 | |
| 270 | G | A | -0.6324 | |
| 271 | T | A | 0.0000 | |
| 272 | Q | A | -0.3715 | |
| 273 | V | A | 0.0000 | |
| 274 | T | A | -0.1133 | |
| 275 | V | A | 0.0000 | |
| 276 | S | A | -0.8029 | |
| 277 | S | A | -1.3372 | |
| 278 | G | A | -1.5490 | |
| 279 | G | A | -1.3160 | |
| 280 | G | A | -1.2060 | |
| 281 | G | A | -1.3040 | |
| 282 | S | A | -1.1117 | |
| 283 | G | A | -1.1144 | |
| 284 | G | A | -1.1856 | |
| 285 | G | A | -1.2167 | |
| 286 | G | A | -1.0979 | |
| 287 | S | A | -0.9710 | |
| 288 | G | A | -1.0823 | |
| 289 | G | A | -1.1874 | |
| 290 | G | A | -1.1141 | |
| 291 | G | A | -0.7827 | |
| 292 | S | A | -0.5387 | |
| 293 | A | A | -0.2650 | |
| 294 | S | A | -0.6268 | |
| 295 | T | A | -0.9700 | |
| 296 | K | A | -1.4660 | |
| 297 | G | A | -1.6108 | |
| 298 | P | A | 0.0000 | |
| 299 | S | A | -0.5290 | |
| 300 | V | A | 0.0000 | |
| 301 | F | A | 0.9972 | |
| 302 | P | A | 0.1506 | |
| 303 | L | A | 0.7222 | |
| 304 | A | A | 0.0159 | |
| 305 | P | A | -0.3576 | |
| 306 | S | A | -0.7133 | |
| 307 | S | A | -0.9257 | |
| 308 | K | A | -2.0292 | |
| 309 | S | A | -1.2561 | |
| 310 | T | A | -1.0338 | |
| 311 | S | A | -1.0693 | |
| 312 | G | A | -0.9339 | |
| 313 | G | A | -0.5911 | |
| 314 | T | A | -0.4670 | |
| 315 | A | A | 0.0000 | |
| 316 | A | A | 0.0064 | |
| 317 | L | A | 0.0000 | |
| 318 | G | A | 0.0000 | |
| 319 | C | A | 0.0000 | |
| 320 | L | A | 0.6239 | |
| 321 | V | A | 0.0000 | |
| 322 | K | A | -0.7210 | |
| 323 | D | A | -1.7198 | |
| 324 | Y | A | 0.0000 | |
| 325 | F | A | -0.4060 | |
| 326 | P | A | -0.5330 | |
| 327 | E | A | -0.7024 | |
| 328 | P | A | -0.9939 | |
| 329 | V | A | -0.7258 | |
| 330 | T | A | -0.8588 | |
| 331 | V | A | -0.5326 | |
| 332 | S | A | -0.6040 | |
| 333 | W | A | 0.0000 | |
| 334 | N | A | -1.6604 | |
| 335 | S | A | -0.8372 | |
| 336 | G | A | -0.7365 | |
| 337 | A | A | -0.3449 | |
| 338 | L | A | -0.0425 | |
| 339 | T | A | -0.2100 | |
| 340 | S | A | -0.1236 | |
| 341 | G | A | 0.3783 | |
| 342 | V | A | 1.0573 | |
| 343 | H | A | 0.3610 | |
| 344 | T | A | 0.6617 | |
| 345 | F | A | 1.3547 | |
| 346 | P | A | 0.8192 | |
| 347 | A | A | 1.1841 | |
| 348 | V | A | 2.0897 | |
| 349 | L | A | 0.9874 | |
| 350 | Q | A | -0.3632 | |
| 351 | S | A | -0.6436 | |
| 352 | S | A | -0.6645 | |
| 353 | G | A | -0.3765 | |
| 354 | L | A | -0.2560 | |
| 355 | Y | A | 0.3771 | |
| 356 | S | A | 0.0000 | |
| 357 | L | A | 0.7752 | |
| 358 | S | A | 0.8282 | |
| 359 | S | A | 0.0000 | |
| 360 | V | A | 0.7715 | |
| 361 | V | A | 0.0000 | |
| 362 | T | A | 0.2243 | |
| 363 | V | A | 0.0000 | |
| 364 | P | A | -0.1337 | |
| 365 | S | A | -0.2009 | |
| 366 | S | A | 0.1168 | |
| 367 | S | A | -0.0960 | |
| 368 | L | A | 0.0000 | |
| 369 | G | A | -1.2431 | |
| 370 | T | A | -0.6403 | |
| 371 | Q | A | -0.8583 | |
| 372 | T | A | -1.2661 | |
| 373 | Y | A | 0.0000 | |
| 374 | I | A | -1.7070 | |
| 375 | C | A | 0.0000 | |
| 376 | N | A | -1.9851 | |
| 377 | V | A | 0.0000 | |
| 378 | N | A | -2.8237 | |
| 379 | H | A | 0.0000 | |
| 380 | K | A | -2.8873 | |
| 381 | P | A | -1.6534 | |
| 382 | S | A | -1.9329 | |
| 383 | N | A | -2.6850 | |
| 384 | T | A | -2.5233 | |
| 385 | K | A | -3.2140 | |
| 386 | V | A | -2.1838 | |
| 387 | D | A | -3.0813 | |
| 388 | K | A | -2.3962 | |
| 389 | R | A | -2.8750 | |
| 390 | V | A | 0.0000 | |
| 391 | E | A | -2.6508 | |
| 392 | S | A | -1.7351 | |
| 393 | K | A | -1.8273 | |
| 394 | Y | A | -0.2113 | |
| 395 | G | A | -0.3169 | |
| 396 | P | A | -0.4086 | |
| 397 | P | A | 0.0130 | |
| 398 | C | A | 0.4483 | |
| 399 | P | A | -0.0477 | |
| 400 | P | A | -0.0487 | |
| 401 | C | A | 0.3675 | |
| 402 | P | A | -0.4919 | |
| 403 | A | A | -0.8782 | |
| 404 | P | A | -1.3036 | |
| 405 | E | A | -1.7694 | |
| 406 | F | A | -0.7411 | |
| 407 | E | A | -1.9151 | |
| 408 | G | A | -1.3986 | |
| 409 | G | A | -1.0372 | |
| 410 | P | A | -0.2554 | |
| 411 | S | A | -0.0101 | |
| 412 | V | A | 0.0000 | |
| 413 | F | A | 1.3394 | |
| 414 | L | A | 1.1361 | |
| 415 | F | A | 1.1588 | |
| 416 | P | A | -0.2036 | |
| 417 | P | A | 0.0000 | |
| 418 | K | A | -2.5713 | |
| 419 | P | A | -1.7612 | |
| 420 | K | A | -2.2985 | |
| 421 | D | A | -2.0832 | |
| 422 | T | A | 0.0000 | |
| 423 | L | A | -0.1244 | |
| 424 | M | A | 0.5656 | |
| 425 | I | A | 1.4183 | |
| 426 | S | A | 0.0550 | |
| 427 | R | A | -1.4726 | |
| 428 | T | A | -0.6784 | |
| 429 | P | A | 0.0000 | |
| 430 | E | A | -2.0252 | |
| 431 | V | A | 0.0000 | |
| 432 | T | A | -0.0949 | |
| 433 | C | A | 0.0000 | |
| 434 | V | A | 0.0000 | |
| 435 | V | A | 0.0000 | |
| 436 | V | A | -0.3812 | |
| 437 | D | A | -0.6957 | |
| 438 | V | A | 0.0000 | |
| 439 | S | A | -1.7583 | |
| 440 | H | A | -2.1219 | |
| 441 | E | A | -2.7255 | |
| 442 | D | A | -2.4410 | |
| 443 | P | A | -2.3517 | |
| 444 | E | A | -2.9008 | |
| 445 | V | A | -1.8435 | |
| 446 | K | A | -2.3027 | |
| 447 | F | A | -1.2203 | |
| 448 | N | A | -1.0463 | |
| 449 | W | A | 0.0000 | |
| 450 | Y | A | -0.7611 | |
| 451 | V | A | -1.0000 | |
| 452 | D | A | -2.2556 | |
| 453 | G | A | -0.9525 | |
| 454 | V | A | 0.5080 | |
| 455 | E | A | -0.7034 | |
| 456 | V | A | -0.5456 | |
| 457 | H | A | -1.8541 | |
| 458 | N | A | -2.1539 | |
| 459 | A | A | -1.9439 | |
| 460 | K | A | -2.5433 | |
| 461 | T | A | -1.7527 | |
| 462 | K | A | -1.9515 | |
| 463 | P | A | -1.8645 | |
| 464 | R | A | -2.2970 | |
| 465 | E | A | -3.0910 | |
| 466 | E | A | -2.9819 | |
| 467 | Q | A | -1.6479 | |
| 468 | Y | A | -0.1771 | |
| 469 | N | A | -1.1554 | |
| 470 | S | A | -1.2538 | |
| 471 | T | A | -1.5761 | |
| 472 | Y | A | -1.8208 | |
| 473 | R | A | -1.8072 | |
| 474 | V | A | 0.0000 | |
| 475 | V | A | -0.7261 | |
| 476 | S | A | 0.0000 | |
| 477 | V | A | 0.0000 | |
| 478 | L | A | 0.0000 | |
| 479 | T | A | -1.1436 | |
| 480 | V | A | 0.0000 | |
| 481 | L | A | 0.3651 | |
| 482 | H | A | -0.2825 | |
| 483 | Q | A | -1.2097 | |
| 484 | D | A | -1.0994 | |
| 485 | W | A | 0.0000 | |
| 486 | L | A | -0.7108 | |
| 487 | N | A | -2.0473 | |
| 488 | G | A | -2.0623 | |
| 489 | K | A | -2.4919 | |
| 490 | E | A | -2.5096 | |
| 491 | Y | A | 0.0000 | |
| 492 | K | A | -1.4116 | |
| 493 | C | A | 0.0000 | |
| 494 | K | A | -1.1364 | |
| 495 | V | A | 0.0000 | |
| 496 | S | A | -1.4252 | |
| 497 | N | A | -1.7734 | |
| 498 | K | A | -2.3455 | |
| 499 | A | A | -1.3342 | |
| 500 | L | A | -0.6174 | |
| 501 | P | A | -0.4774 | |
| 502 | A | A | -0.3256 | |
| 503 | P | A | -0.5287 | |
| 504 | I | A | -0.2170 | |
| 505 | E | A | -1.2191 | |
| 506 | K | A | -0.8601 | |
| 507 | T | A | -0.5365 | |
| 508 | I | A | -0.0251 | |
| 509 | S | A | -0.9456 | |
| 510 | K | A | -1.2255 | |
| 511 | A | A | -1.3722 | |
| 512 | K | A | -2.4500 | |
| 513 | G | A | -2.0722 | |
| 514 | Q | A | -2.0957 | |
| 515 | P | A | -1.9708 | |
| 516 | R | A | -2.5733 | |
| 517 | E | A | -2.6518 | |
| 518 | P | A | 0.0000 | |
| 519 | Q | A | -1.5982 | |
| 520 | V | A | -0.6408 | |
| 521 | Y | A | 0.3109 | |
| 522 | T | A | 0.3304 | |
| 523 | L | A | 0.8177 | |
| 524 | P | A | 0.0289 | |
| 525 | P | A | -0.5889 | |
| 526 | S | A | -1.4415 | |
| 527 | R | A | -2.5679 | |
| 528 | D | A | -2.3708 | |
| 529 | E | A | -1.9592 | |
| 530 | L | A | -1.6148 | |
| 531 | T | A | -1.5444 | |
| 532 | K | A | -2.2655 | |
| 533 | N | A | -2.4915 | |
| 534 | Q | A | -2.2549 | |
| 535 | V | A | 0.0000 | |
| 536 | S | A | -0.6935 | |
| 537 | L | A | 0.0000 | |
| 538 | W | A | 0.5502 | |
| 539 | C | A | 0.0000 | |
| 540 | L | A | 0.6204 | |
| 541 | V | A | 0.0000 | |
| 542 | K | A | -0.6593 | |
| 543 | G | A | -1.3232 | |
| 544 | F | A | 0.0000 | |
| 545 | Y | A | -0.6847 | |
| 546 | P | A | -0.7428 | |
| 547 | S | A | 0.1284 | |
| 548 | D | A | 0.0000 | |
| 549 | I | A | 0.0000 | |
| 550 | A | A | -0.5282 | |
| 551 | V | A | 0.0000 | |
| 552 | E | A | -2.1913 | |
| 553 | W | A | 0.0000 | |
| 554 | E | A | -2.1991 | |
| 555 | S | A | 0.0000 | |
| 556 | N | A | -1.9033 | |
| 557 | G | A | -1.8135 | |
| 558 | Q | A | -2.2505 | |
| 559 | P | A | -2.2050 | |
| 560 | E | A | -2.1865 | |
| 561 | N | A | -2.4456 | |
| 562 | N | A | -1.8851 | |
| 563 | Y | A | -1.3980 | |
| 564 | K | A | -1.2956 | |
| 565 | T | A | -0.5664 | |
| 566 | T | A | -0.1421 | |
| 567 | P | A | 0.1052 | |
| 568 | P | A | 0.4514 | |
| 569 | M | A | 1.0310 | |
| 570 | L | A | 1.0690 | |
| 571 | D | A | -0.5969 | |
| 572 | S | A | -1.4240 | |
| 573 | D | A | -2.4171 | |
| 574 | G | A | -1.3373 | |
| 575 | S | A | 0.0000 | |
| 576 | F | A | 0.4734 | |
| 577 | F | A | 0.5509 | |
| 578 | L | A | 0.0000 | |
| 579 | Y | A | 0.6338 | |
| 580 | S | A | 0.0000 | |
| 581 | K | A | -0.3368 | |
| 582 | L | A | 0.0000 | |
| 583 | T | A | -1.2270 | |
| 584 | V | A | 0.0000 | |
| 585 | D | A | -2.5012 | |
| 586 | K | A | -2.6774 | |
| 587 | S | A | -2.2584 | |
| 588 | R | A | -2.0755 | |
| 589 | W | A | 0.0000 | |
| 590 | Q | A | -2.6305 | |
| 591 | Q | A | -2.3571 | |
| 592 | G | A | -1.6210 | |
| 593 | N | A | -1.0529 | |
| 594 | V | A | -0.2252 | |
| 595 | F | A | 0.0000 | |
| 596 | S | A | -1.4034 | |
| 597 | C | A | 0.0000 | |
| 598 | S | A | 0.0000 | |
| 599 | V | A | 0.0000 | |
| 600 | M | A | -0.5620 | |
| 601 | H | A | 0.0000 | |
| 602 | E | A | -1.0164 | |
| 603 | A | A | -1.4909 | |
| 604 | L | A | -1.4366 | |
| 605 | H | A | -1.7531 | |
| 606 | N | A | -1.9797 | |
| 607 | H | A | -1.6016 | |
| 608 | Y | A | -0.5227 | |
| 609 | T | A | -1.0747 | |
| 610 | Q | A | -1.7559 | |
| 611 | K | A | -1.4534 | |
| 612 | S | A | -0.8540 | |
| 613 | L | A | 0.0000 | |
| 614 | S | A | 0.2721 | |
| 615 | L | A | 0.3222 | |
| 616 | S | A | -0.5297 | |
| 617 | P | A | -1.2179 | |
| 618 | G | A | -1.2468 | |
| 619 | G | A | -1.0416 | |
| 620 | G | A | -1.4273 | |
| 621 | G | A | -1.3108 | |
| 622 | G | A | -1.4961 | |
| 623 | S | A | -1.1240 | |
| 624 | G | A | -1.1583 | |
| 625 | G | A | -1.2101 | |
| 626 | G | A | -1.1682 | |
| 627 | G | A | -1.1933 | |
| 628 | S | A | -1.0395 | |
| 629 | G | A | -1.0983 | |
| 630 | G | A | -1.4294 | |
| 631 | G | A | -1.5230 | |
| 632 | G | A | -1.5483 | |
| 633 | S | A | -2.0242 | |
| 634 | E | A | -2.6473 | |
| 635 | V | A | 0.0000 | |
| 636 | Q | A | -1.4946 | |
| 637 | L | A | 0.0000 | |
| 638 | V | A | 0.9542 | |
| 639 | E | A | -0.0175 | |
| 640 | S | A | -0.3497 | |
| 641 | G | A | -1.2241 | |
| 642 | G | A | -1.0113 | |
| 643 | G | A | -0.0754 | |
| 644 | L | A | 0.9574 | |
| 645 | V | A | -0.3192 | |
| 646 | Q | A | -1.5962 | |
| 647 | P | A | -1.9947 | |
| 648 | G | A | -1.9184 | |
| 649 | D | A | -2.2204 | |
| 650 | S | A | -1.8878 | |
| 651 | L | A | -1.5066 | |
| 652 | R | A | -2.2356 | |
| 653 | L | A | 0.0000 | |
| 654 | S | A | -0.4859 | |
| 655 | C | A | 0.0000 | |
| 656 | A | A | -0.1834 | |
| 657 | A | A | 0.0000 | |
| 658 | S | A | -1.4069 | |
| 659 | G | A | -1.9368 | |
| 660 | R | A | -2.4478 | |
| 661 | A | A | -1.0360 | |
| 662 | F | A | 0.0000 | |
| 663 | S | A | -0.7524 | |
| 664 | S | A | 0.1115 | |
| 665 | Y | A | 0.0000 | |
| 666 | A | A | 0.0000 | |
| 667 | M | A | 0.0000 | |
| 668 | G | A | 0.0000 | |
| 669 | W | A | 0.0000 | |
| 670 | F | A | -0.5074 | |
| 671 | R | A | 0.0000 | |
| 672 | Q | A | -2.1562 | |
| 673 | A | A | -1.9529 | |
| 674 | P | A | -1.3055 | |
| 675 | G | A | -1.8454 | |
| 676 | K | A | -3.3887 | |
| 677 | E | A | -3.6768 | |
| 678 | R | A | -2.9120 | |
| 679 | E | A | -2.2716 | |
| 680 | F | A | -1.2150 | |
| 681 | V | A | 0.0000 | |
| 682 | A | A | 0.0000 | |
| 683 | A | A | 0.0000 | |
| 684 | I | A | 0.0000 | |
| 685 | G | A | 0.0000 | |
| 686 | W | A | 0.5418 | |
| 687 | G | A | -0.6244 | |
| 688 | G | A | -1.0198 | |
| 689 | S | A | -1.0503 | |
| 690 | K | A | -1.9524 | |
| 691 | T | A | -1.2609 | |
| 692 | N | A | -1.5289 | |
| 693 | Y | A | -1.3901 | |
| 694 | A | A | -1.6502 | |
| 695 | D | A | -2.6651 | |
| 696 | S | A | -1.7566 | |
| 697 | V | A | 0.0000 | |
| 698 | K | A | -2.8338 | |
| 699 | G | A | -1.9107 | |
| 700 | R | A | -1.7851 | |
| 701 | F | A | 0.0000 | |
| 702 | T | A | -1.1289 | |
| 703 | I | A | 0.0000 | |
| 704 | S | A | -0.5831 | |
| 705 | R | A | -1.1862 | |
| 706 | D | A | -1.7589 | |
| 707 | N | A | -2.2844 | |
| 708 | A | A | -1.6807 | |
| 709 | K | A | -2.4133 | |
| 710 | N | A | -2.1521 | |
| 711 | T | A | 0.0000 | |
| 712 | V | A | 0.0000 | |
| 713 | Y | A | -0.6667 | |
| 714 | L | A | 0.0000 | |
| 715 | Q | A | -1.5544 | |
| 716 | M | A | 0.0000 | |
| 717 | N | A | -2.2485 | |
| 718 | S | A | -1.8564 | |
| 719 | L | A | 0.0000 | |
| 720 | K | A | -2.2831 | |
| 721 | P | A | -1.7542 | |
| 722 | E | A | -2.2319 | |
| 723 | D | A | 0.0000 | |
| 724 | T | A | -0.8338 | |
| 725 | A | A | 0.0000 | |
| 726 | V | A | -0.5399 | |
| 727 | Y | A | 0.0000 | |
| 728 | S | A | 0.0000 | |
| 729 | C | A | 0.0000 | |
| 730 | A | A | 0.0000 | |
| 731 | A | A | 0.0000 | |
| 732 | K | A | 0.2360 | |
| 733 | F | A | 1.3575 | |
| 734 | V | A | 0.2038 | |
| 735 | N | A | -1.3151 | |
| 736 | T | A | -1.3997 | |
| 737 | D | A | -2.2866 | |
| 738 | S | A | -1.3669 | |
| 739 | T | A | -0.5345 | |
| 740 | W | A | -0.2265 | |
| 741 | S | A | -0.8911 | |
| 742 | R | A | -1.8354 | |
| 743 | S | A | -0.9888 | |
| 744 | E | A | -0.6536 | |
| 745 | Y | A | 0.2730 | |
| 746 | Y | A | 0.0000 | |
| 747 | D | A | -1.0018 | |
| 748 | Y | A | -0.6217 | |
| 749 | W | A | -0.2844 | |
| 750 | G | A | -0.3755 | |
| 751 | Q | A | -1.0399 | |
| 752 | G | A | -0.7759 | |
| 753 | T | A | -0.9444 | |
| 754 | Q | A | -1.1455 | |
| 755 | V | A | 0.0000 | |
| 756 | T | A | -0.0783 | |
| 757 | V | A | 0.0000 | |
| 758 | S | A | -0.5886 | |
| 759 | S | A | -0.8815 | |
| 1 | Y | B | 1.7054 | |
| 2 | L | B | 1.1142 | |
| 3 | W | B | 0.4565 | |
| 4 | S | B | -0.5479 | |
| 5 | S | B | -1.4614 | |
| 6 | D | B | -2.2467 | |
| 7 | T | B | -1.5727 | |
| 8 | Q | B | -1.8762 | |
| 9 | H | B | -1.7393 | |
| 10 | S | B | -0.9428 | |
| 11 | R | B | -0.6955 | |
| 12 | V | B | 0.5902 | |
| 13 | L | B | 0.5444 | |
| 14 | S | B | 0.0000 | |
| 15 | L | B | 1.1525 | |
| 16 | Y | B | 1.6038 | |
| 17 | N | B | 0.2202 | |
| 18 | T | B | 0.4211 | |
| 19 | I | B | 1.6816 | |
| 20 | N | B | -0.0818 | |
| 21 | P | B | -1.0660 | |
| 22 | E | B | -1.9499 | |
| 23 | A | B | -0.8603 | |
| 24 | S | B | -0.7326 | |
| 25 | A | B | -0.2475 | |
| 26 | S | B | 0.0900 | |
| 27 | P | B | 0.0000 | |
| 28 | C | B | 0.8663 | |
| 29 | C | B | 0.6901 | |
| 30 | V | B | 0.6123 | |
| 31 | S | B | -0.0363 | |
| 32 | Q | B | -0.8318 | |
| 33 | D | B | -1.0678 | |
| 34 | L | B | -0.5389 | |
| 35 | E | B | -1.0054 | |
| 36 | P | B | -0.6052 | |
| 37 | L | B | -0.0378 | |
| 38 | T | B | 0.1470 | |
| 39 | I | B | 0.5266 | |
| 40 | L | B | 0.9053 | |
| 41 | Y | B | 1.1926 | |
| 42 | Y | B | 1.3045 | |
| 43 | I | B | 1.3095 | |
| 44 | G | B | -0.1606 | |
| 45 | K | B | -1.3028 | |
| 46 | T | B | -0.4280 | |
| 47 | P | B | -0.0377 | |
| 48 | K | B | -0.0757 | |
| 49 | I | B | 0.4803 | |
| 50 | E | B | -0.3982 | |
| 51 | Q | B | -0.8406 | |
| 52 | L | B | -0.3020 | |
| 53 | S | B | -0.8469 | |
| 54 | N | B | -1.1190 | |
| 55 | M | B | 0.1928 | |
| 56 | I | B | 0.4407 | |
| 57 | V | B | 0.1625 | |
| 58 | K | B | -0.6519 | |
| 59 | S | B | 0.0000 | |
| 60 | C | B | 0.0000 | |
| 61 | K | B | -0.4409 | |
| 62 | C | B | 0.0000 | |
| 63 | S | B | -0.4965 |
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