| Chain sequence(s) |
A: VYRAFDIYNDKVAGFAKFLKFSNYQHEETIYNLLKDCPAVARLTKYTMADLVYALRHFDEGNCDTLKEILVTYNCCDDDYFNKKDWYDFVENPDILRVYANLGERVRQALLKTVQFCDAMRNAGIVGVLTLDNQDLNGNWYDFGDFIQTTPGSGVPVVDSYYSLLMPILTLTRALTAESHVDTDLTKPYIKWDLLKYDFTEERLKLFDRYFKYWDQTYHPNCVNCLDDRCILHCANFNVLFSTVFPPTSFGPLVRKIFVDGVPFVVSTGYHFRELGVVHNQDVNLHSSRLSFKELLVYAADPAMHAASGNLLLDKRTTCFSVAALTNNVAFQTVKPGNFNKDFYDFAVSKGFFKEGSSVELKHFFFAQDGNAAISDYDYYRYNLPTMCDIRQLLFVVEVVDKYFDCYDGGCINANQVIVNNLDKSAGFPFNKWGKARLYYDSMSYEDQDALFAYTKRNVIPTITQMNLKYAISAKNRARTVAGVSICSTMTNRQFHQKLLKSIAATRGATVVIGTSKFYGGWHNMLKTVYSDVENPHLMGWDYPKCDRAMPNMLRIMASLVLARKHTTCCSLSHRFYRLANECAQVLSEMVMCGGSLYVKPGGTSSGDATTAYANSVFNICQAVTANVNALLSTDGNKIADKYVRNLQHRLYECLYRNRDVDTDFVNEFYAYLRKHFSMMILSDDAVVCFNSTYASQGLVASIKNFKSVLYYQNNVFMSEAKCWTETDLTKGPHEFCSQHTMLVKQGDDYVYLPYPDPSRILGAGCFVDDIVKTDGTLMIERFVSLAIDAYPLTKHPNQEYADVFHLYLQYIRKLHDELTGHMLDMYSVMLTNDNTSRYWEPEFYEAMYTPHT
C: SKMSDVKCTSVVLLSVLQQLRVESSSKLWAQCVQLHNDILLAKDTTEAFEKMVSLLSVLLSMQGAVDINKLCE B: FSSLPSYAAFATAQEAYEQAVANGDSEVVLKKLKKSLNVAKSEFDRDAAMQRKLEKMADQAMTQMYKQARSEDKRAKVTSAMQTMLFTMLRKLDNDALNNIINNARDGCVPLNIIPLTTAAKLMVVIPDYNTYKNTCDGTTFTYASALWEIQQVVDADSKIVQLSEISMDNSPNLAWPLIVTALRA D: FSSLPSYAAFATAQEAYEQAVANGDSEVVLKKLKKSLNVAKSEFDRDAAMQRKLEKMADQAMTQMYKQARSEDKRAKVTSAMQTMLFTMLRKLDNDALNNIINNARDGCVPLNIIPLTTAAKLMVVIPDYNTYKNTCDGTTFTYASALWEIQQVVDADSKIVQLSEISMDNSPNLAWPLIVTALRA input PDB |
| Selected Chain(s) | A,C,B,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | Yes |
| 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 all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] CABS: Running CABS flex simulation (00:38:15)
[INFO] Analysis: Starting Aggrescan3D on model_10.pdb (11:45:58)
[INFO] Analysis: Starting Aggrescan3D on model_7.pdb (11:46:45)
[INFO] Analysis: Starting Aggrescan3D on model_9.pdb (11:47:30)
[INFO] Analysis: Starting Aggrescan3D on model_8.pdb (11:48:15)
[INFO] Analysis: Starting Aggrescan3D on model_11.pdb (11:49:02)
[INFO] Analysis: Starting Aggrescan3D on model_6.pdb (11:49:47)
[INFO] Analysis: Starting Aggrescan3D on model_4.pdb (11:50:33)
[INFO] Analysis: Starting Aggrescan3D on model_2.pdb (11:51:18)
[INFO] Analysis: Starting Aggrescan3D on model_5.pdb (11:52:04)
[INFO] Analysis: Starting Aggrescan3D on model_1.pdb (11:52:50)
[INFO] Analysis: Starting Aggrescan3D on model_0.pdb (11:53:36)
[INFO] Analysis: Starting Aggrescan3D on model_3.pdb (11:54:23)
[INFO] Analysis: Starting Aggrescan3D on input.pdb (11:55:09)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (11:57:28)
[INFO] Movie: Creting movie with webm format (12:22:12)
[INFO] Main: Simulation completed successfully. (12:22:59)
|
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 | |
| 31 | V | A | 3.1091 | |
| 32 | Y | A | 2.8432 | |
| 33 | R | A | 1.7099 | |
| 34 | A | A | 0.0000 | |
| 35 | F | A | 0.0000 | |
| 36 | D | A | 0.0000 | |
| 37 | I | A | 0.0000 | |
| 38 | Y | A | -0.3425 | |
| 39 | N | A | -1.4171 | |
| 40 | D | A | -3.0989 | |
| 41 | K | A | -3.2726 | |
| 42 | V | A | -1.8743 | |
| 43 | A | A | 0.0000 | |
| 44 | G | A | 0.0000 | |
| 45 | F | A | 0.0000 | |
| 46 | A | A | 0.0000 | |
| 47 | K | A | 0.0000 | |
| 48 | F | A | 3.0860 | |
| 49 | L | A | 3.0316 | |
| 50 | K | A | 1.4768 | |
| 77 | F | A | 1.9021 | |
| 78 | S | A | 0.2543 | |
| 79 | N | A | 0.0978 | |
| 80 | Y | A | 0.3976 | |
| 81 | Q | A | -0.6114 | |
| 82 | H | A | 0.0000 | |
| 83 | E | A | 0.0000 | |
| 84 | E | A | -0.3734 | |
| 85 | T | A | 0.0000 | |
| 86 | I | A | 0.0000 | |
| 87 | Y | A | 0.0000 | |
| 88 | N | A | -1.2540 | |
| 89 | L | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | K | A | -2.4554 | |
| 92 | D | A | -2.7787 | |
| 93 | C | A | -1.9249 | |
| 94 | P | A | -1.4119 | |
| 95 | A | A | 0.0000 | |
| 96 | V | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 118 | R | A | -2.5547 | |
| 119 | L | A | -1.1745 | |
| 120 | T | A | -1.2214 | |
| 121 | K | A | -2.3953 | |
| 122 | Y | A | 0.0000 | |
| 123 | T | A | 0.0000 | |
| 124 | M | A | 0.0000 | |
| 125 | A | A | 0.0000 | |
| 126 | D | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | V | A | 0.0000 | |
| 129 | Y | A | 0.0000 | |
| 130 | A | A | 0.0000 | |
| 131 | L | A | 0.0000 | |
| 132 | R | A | 0.0000 | |
| 133 | H | A | 0.0000 | |
| 134 | F | A | 0.0000 | |
| 135 | D | A | -2.0500 | |
| 136 | E | A | -3.1883 | |
| 137 | G | A | -2.1546 | |
| 138 | N | A | 0.0000 | |
| 139 | C | A | 0.0000 | |
| 140 | D | A | -2.8636 | |
| 141 | T | A | 0.0000 | |
| 142 | L | A | 0.0000 | |
| 143 | K | A | -1.9709 | |
| 144 | E | A | -1.0911 | |
| 145 | I | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | V | A | 0.4146 | |
| 148 | T | A | 0.0214 | |
| 149 | Y | A | 0.3102 | |
| 150 | N | A | -0.4851 | |
| 151 | C | A | 0.0241 | |
| 152 | C | A | -0.8133 | |
| 153 | D | A | -2.9891 | |
| 154 | D | A | -3.9580 | |
| 155 | D | A | -3.5815 | |
| 156 | Y | A | -2.3851 | |
| 157 | F | A | 0.0000 | |
| 158 | N | A | -3.7981 | |
| 159 | K | A | -4.0280 | |
| 160 | K | A | 0.0000 | |
| 161 | D | A | -2.5478 | |
| 162 | W | A | -1.0266 | |
| 163 | Y | A | 0.0000 | |
| 164 | D | A | 0.0000 | |
| 165 | F | A | 0.0000 | |
| 166 | V | A | 0.0877 | |
| 167 | E | A | -1.4823 | |
| 168 | N | A | 0.0000 | |
| 169 | P | A | -1.0183 | |
| 170 | D | A | -1.2334 | |
| 171 | I | A | 0.0000 | |
| 172 | L | A | -0.8904 | |
| 173 | R | A | -2.1023 | |
| 174 | V | A | -0.8359 | |
| 175 | Y | A | 0.0000 | |
| 176 | A | A | -1.3002 | |
| 177 | N | A | -1.3073 | |
| 178 | L | A | 0.0000 | |
| 179 | G | A | 0.0000 | |
| 180 | E | A | -1.6744 | |
| 181 | R | A | -1.6343 | |
| 182 | V | A | 0.0000 | |
| 183 | R | A | -1.2901 | |
| 184 | Q | A | -1.3599 | |
| 185 | A | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | L | A | 0.0000 | |
| 188 | K | A | -2.0300 | |
| 189 | T | A | 0.0000 | |
| 190 | V | A | -1.6376 | |
| 191 | Q | A | -2.6393 | |
| 192 | F | A | 0.0000 | |
| 193 | C | A | 0.0000 | |
| 194 | D | A | -3.2589 | |
| 195 | A | A | -2.5692 | |
| 196 | M | A | 0.0000 | |
| 197 | R | A | -3.1033 | |
| 198 | N | A | -2.5889 | |
| 199 | A | A | -1.6835 | |
| 200 | G | A | -1.6247 | |
| 201 | I | A | 0.0000 | |
| 202 | V | A | 0.1522 | |
| 203 | G | A | 0.0000 | |
| 204 | V | A | 0.8896 | |
| 205 | L | A | 0.0000 | |
| 206 | T | A | 0.0000 | |
| 207 | L | A | 0.0000 | |
| 208 | D | A | 0.0000 | |
| 209 | N | A | -0.6504 | |
| 210 | Q | A | 0.0000 | |
| 211 | D | A | -1.6512 | |
| 212 | L | A | 0.0000 | |
| 213 | N | A | -2.0051 | |
| 214 | G | A | 0.0000 | |
| 215 | N | A | -1.5438 | |
| 216 | W | A | 0.0000 | |
| 217 | Y | A | 0.1939 | |
| 218 | D | A | 0.0000 | |
| 219 | F | A | 0.6322 | |
| 220 | G | A | -0.2217 | |
| 221 | D | A | -0.5091 | |
| 222 | F | A | 0.6251 | |
| 223 | I | A | 1.3897 | |
| 224 | Q | A | -0.4254 | |
| 225 | T | A | -0.4011 | |
| 226 | T | A | -0.4657 | |
| 227 | P | A | -0.6320 | |
| 228 | G | A | -0.7589 | |
| 229 | S | A | -0.7564 | |
| 230 | G | A | -0.3574 | |
| 231 | V | A | -0.2888 | |
| 232 | P | A | 0.0000 | |
| 233 | V | A | 0.5820 | |
| 234 | V | A | 0.0000 | |
| 235 | D | A | 0.0000 | |
| 236 | S | A | 0.1477 | |
| 237 | Y | A | 0.0000 | |
| 238 | Y | A | 0.0000 | |
| 239 | S | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | L | A | 0.0000 | |
| 242 | M | A | 0.0000 | |
| 243 | P | A | 0.0000 | |
| 244 | I | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | T | A | 0.0000 | |
| 247 | L | A | 0.1279 | |
| 248 | T | A | 0.0000 | |
| 249 | R | A | -0.7865 | |
| 250 | A | A | 0.0000 | |
| 251 | L | A | 0.0000 | |
| 252 | T | A | -0.2336 | |
| 253 | A | A | 0.0000 | |
| 254 | E | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | H | A | -0.3788 | |
| 257 | V | A | -0.3437 | |
| 258 | D | A | -1.1533 | |
| 259 | T | A | -1.0443 | |
| 260 | D | A | -1.3100 | |
| 261 | L | A | 0.2380 | |
| 262 | T | A | -0.4332 | |
| 263 | K | A | -1.0917 | |
| 264 | P | A | -0.8729 | |
| 265 | Y | A | -0.1608 | |
| 266 | I | A | -0.0157 | |
| 267 | K | A | -0.6434 | |
| 268 | W | A | 0.0000 | |
| 269 | D | A | -1.3947 | |
| 270 | L | A | -0.5824 | |
| 271 | L | A | -0.1300 | |
| 272 | K | A | -0.7934 | |
| 273 | Y | A | 0.0000 | |
| 274 | D | A | -1.3115 | |
| 275 | F | A | 0.2601 | |
| 276 | T | A | -0.9687 | |
| 277 | E | A | -1.9776 | |
| 278 | E | A | -1.4677 | |
| 279 | R | A | 0.0000 | |
| 280 | L | A | -0.9716 | |
| 281 | K | A | -2.3219 | |
| 282 | L | A | 0.0000 | |
| 283 | F | A | 0.0000 | |
| 284 | D | A | -2.3380 | |
| 285 | R | A | -2.2682 | |
| 286 | Y | A | 0.0000 | |
| 287 | F | A | 0.0000 | |
| 288 | K | A | -1.8977 | |
| 289 | Y | A | -1.0026 | |
| 290 | W | A | -1.2497 | |
| 291 | D | A | -2.3069 | |
| 292 | Q | A | -2.1331 | |
| 293 | T | A | 0.0000 | |
| 294 | Y | A | 0.0000 | |
| 295 | H | A | -1.1756 | |
| 296 | P | A | -0.6864 | |
| 297 | N | A | -0.5540 | |
| 298 | C | A | -0.3935 | |
| 299 | V | A | -0.2699 | |
| 300 | N | A | -0.7617 | |
| 301 | C | A | -0.3386 | |
| 302 | L | A | 0.4438 | |
| 303 | D | A | -1.5030 | |
| 304 | D | A | -1.6105 | |
| 305 | R | A | -2.2321 | |
| 306 | C | A | -1.2109 | |
| 307 | I | A | 0.0000 | |
| 308 | L | A | 0.0000 | |
| 309 | H | A | 0.0000 | |
| 310 | C | A | 0.0000 | |
| 311 | A | A | 0.0000 | |
| 312 | N | A | 0.0000 | |
| 313 | F | A | 0.0000 | |
| 314 | N | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | F | A | 0.0000 | |
| 318 | S | A | 0.0000 | |
| 319 | T | A | 0.0000 | |
| 320 | V | A | 0.0000 | |
| 321 | F | A | 0.1817 | |
| 322 | P | A | -0.1557 | |
| 323 | P | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | S | A | 0.0000 | |
| 326 | F | A | 0.0000 | |
| 327 | G | A | 0.0000 | |
| 328 | P | A | 0.0000 | |
| 329 | L | A | 0.0000 | |
| 330 | V | A | 0.0000 | |
| 331 | R | A | 0.0000 | |
| 332 | K | A | -0.7927 | |
| 333 | I | A | 0.4613 | |
| 334 | F | A | 1.3089 | |
| 335 | V | A | -0.4268 | |
| 336 | D | A | -1.5724 | |
| 337 | G | A | -0.8413 | |
| 338 | V | A | 0.0662 | |
| 339 | P | A | -0.0184 | |
| 340 | F | A | 0.8466 | |
| 341 | V | A | 0.0000 | |
| 342 | V | A | 0.0000 | |
| 343 | S | A | 0.0000 | |
| 344 | T | A | 0.0000 | |
| 345 | G | A | -0.5184 | |
| 346 | Y | A | 0.0000 | |
| 347 | H | A | 0.0000 | |
| 348 | F | A | 0.0000 | |
| 349 | R | A | 0.0000 | |
| 350 | E | A | 0.0000 | |
| 351 | L | A | 0.0000 | |
| 352 | G | A | 0.0000 | |
| 353 | V | A | 0.3886 | |
| 354 | V | A | -0.1131 | |
| 355 | H | A | -0.8327 | |
| 356 | N | A | -1.4705 | |
| 357 | Q | A | -2.6871 | |
| 358 | D | A | -2.1751 | |
| 359 | V | A | -0.3811 | |
| 360 | N | A | -0.1674 | |
| 361 | L | A | 0.7694 | |
| 362 | H | A | -0.7257 | |
| 363 | S | A | -1.1148 | |
| 364 | S | A | -1.0620 | |
| 365 | R | A | -1.3884 | |
| 366 | L | A | 0.4860 | |
| 367 | S | A | 0.0989 | |
| 368 | F | A | 0.0854 | |
| 369 | K | A | -0.1125 | |
| 370 | E | A | -0.3414 | |
| 371 | L | A | 0.0000 | |
| 372 | L | A | 0.0000 | |
| 373 | V | A | 0.0000 | |
| 374 | Y | A | 0.0007 | |
| 375 | A | A | 0.0000 | |
| 376 | A | A | 0.0000 | |
| 377 | D | A | 0.0000 | |
| 378 | P | A | 0.0000 | |
| 379 | A | A | 0.0000 | |
| 380 | M | A | 0.0000 | |
| 381 | H | A | -0.0788 | |
| 382 | A | A | 0.0000 | |
| 383 | A | A | 0.0000 | |
| 384 | S | A | 0.0000 | |
| 385 | G | A | -0.7321 | |
| 386 | N | A | -0.2394 | |
| 387 | L | A | 0.5679 | |
| 388 | L | A | 0.0000 | |
| 389 | L | A | 1.4530 | |
| 390 | D | A | 0.0000 | |
| 391 | K | A | -1.6154 | |
| 392 | R | A | -1.4513 | |
| 393 | T | A | 0.0000 | |
| 394 | T | A | -0.1202 | |
| 395 | C | A | 0.0000 | |
| 396 | F | A | 1.9454 | |
| 397 | S | A | 1.2260 | |
| 398 | V | A | 0.0000 | |
| 399 | A | A | 0.0000 | |
| 400 | A | A | 0.0000 | |
| 401 | L | A | 1.2174 | |
| 402 | T | A | 0.5016 | |
| 403 | N | A | -0.0587 | |
| 404 | N | A | 0.2517 | |
| 405 | V | A | 1.0515 | |
| 406 | A | A | 0.3528 | |
| 407 | F | A | 0.4081 | |
| 408 | Q | A | -0.7113 | |
| 409 | T | A | -1.0284 | |
| 410 | V | A | 0.0000 | |
| 411 | K | A | -2.3615 | |
| 412 | P | A | -1.2313 | |
| 413 | G | A | -0.9861 | |
| 414 | N | A | -0.4185 | |
| 415 | F | A | 0.0000 | |
| 416 | N | A | 0.0000 | |
| 417 | K | A | 0.0000 | |
| 418 | D | A | -0.9757 | |
| 419 | F | A | 0.0000 | |
| 420 | Y | A | 0.0000 | |
| 421 | D | A | -1.5464 | |
| 422 | F | A | -0.8075 | |
| 423 | A | A | 0.0000 | |
| 424 | V | A | -0.0265 | |
| 425 | S | A | -0.5218 | |
| 426 | K | A | -1.4333 | |
| 427 | G | A | -1.1497 | |
| 428 | F | A | 0.0000 | |
| 429 | F | A | 0.0000 | |
| 430 | K | A | -2.1486 | |
| 431 | E | A | -2.0255 | |
| 432 | G | A | -1.4404 | |
| 433 | S | A | -1.3299 | |
| 434 | S | A | -1.2234 | |
| 435 | V | A | 0.0000 | |
| 436 | E | A | -1.0881 | |
| 437 | L | A | 0.0000 | |
| 438 | K | A | -0.1925 | |
| 439 | H | A | 0.0000 | |
| 440 | F | A | 0.7366 | |
| 441 | F | A | 0.0000 | |
| 442 | F | A | 0.0000 | |
| 443 | A | A | 0.0000 | |
| 444 | Q | A | -0.9708 | |
| 445 | D | A | -0.9150 | |
| 446 | G | A | -0.4818 | |
| 447 | N | A | -0.4961 | |
| 448 | A | A | 0.0000 | |
| 449 | A | A | -0.4316 | |
| 450 | I | A | -0.3142 | |
| 451 | S | A | -0.6237 | |
| 452 | D | A | -0.6687 | |
| 453 | Y | A | -0.3964 | |
| 454 | D | A | -1.2369 | |
| 455 | Y | A | 0.3087 | |
| 456 | Y | A | -0.1103 | |
| 457 | R | A | -0.5670 | |
| 458 | Y | A | 0.0152 | |
| 459 | N | A | -0.0813 | |
| 460 | L | A | 0.0000 | |
| 461 | P | A | 0.0000 | |
| 462 | T | A | 0.0000 | |
| 463 | M | A | 0.0000 | |
| 464 | C | A | 0.0000 | |
| 465 | D | A | 0.0000 | |
| 466 | I | A | 0.0000 | |
| 467 | R | A | 0.0000 | |
| 468 | Q | A | 0.0000 | |
| 469 | L | A | 0.0000 | |
| 470 | L | A | 0.0000 | |
| 471 | F | A | 0.0000 | |
| 472 | V | A | 0.0000 | |
| 473 | V | A | 0.0000 | |
| 474 | E | A | -0.9976 | |
| 475 | V | A | 0.0000 | |
| 476 | V | A | 0.0000 | |
| 477 | D | A | 0.0000 | |
| 478 | K | A | -1.4096 | |
| 479 | Y | A | 0.0000 | |
| 480 | F | A | 0.0000 | |
| 481 | D | A | -1.8690 | |
| 482 | C | A | -0.4058 | |
| 483 | Y | A | 0.3618 | |
| 484 | D | A | -0.6528 | |
| 485 | G | A | -0.2837 | |
| 486 | G | A | -0.1739 | |
| 487 | C | A | 0.0000 | |
| 488 | I | A | 0.3902 | |
| 489 | N | A | -0.2783 | |
| 490 | A | A | 0.0000 | |
| 491 | N | A | -1.0547 | |
| 492 | Q | A | -0.4389 | |
| 493 | V | A | 0.0000 | |
| 494 | I | A | 0.0590 | |
| 495 | V | A | 1.0141 | |
| 496 | N | A | -0.2313 | |
| 497 | N | A | -0.4801 | |
| 498 | L | A | -0.2378 | |
| 499 | D | A | -1.7873 | |
| 500 | K | A | -1.9402 | |
| 501 | S | A | -2.3320 | |
| 502 | A | A | 0.0000 | |
| 503 | G | A | 0.0000 | |
| 504 | F | A | 0.0000 | |
| 505 | P | A | -0.6879 | |
| 506 | F | A | 0.0000 | |
| 507 | N | A | -2.6813 | |
| 508 | K | A | -2.5954 | |
| 509 | W | A | -1.6903 | |
| 510 | G | A | 0.0000 | |
| 511 | K | A | -3.3036 | |
| 512 | A | A | 0.0000 | |
| 513 | R | A | -2.6303 | |
| 514 | L | A | -1.6275 | |
| 515 | Y | A | 0.0000 | |
| 516 | Y | A | 0.0000 | |
| 517 | D | A | -2.1012 | |
| 518 | S | A | 0.0000 | |
| 519 | M | A | 0.0000 | |
| 520 | S | A | -1.2695 | |
| 521 | Y | A | -0.7913 | |
| 522 | E | A | -2.2215 | |
| 523 | D | A | -1.4524 | |
| 524 | Q | A | 0.0000 | |
| 525 | D | A | -1.2461 | |
| 526 | A | A | -0.4443 | |
| 527 | L | A | 0.0000 | |
| 528 | F | A | 0.0000 | |
| 529 | A | A | 0.3523 | |
| 530 | Y | A | 0.6086 | |
| 531 | T | A | 0.0000 | |
| 532 | K | A | -0.8293 | |
| 533 | R | A | -0.5294 | |
| 534 | N | A | -0.8176 | |
| 535 | V | A | 0.0000 | |
| 536 | I | A | 0.0000 | |
| 537 | P | A | 0.0000 | |
| 538 | T | A | 0.0000 | |
| 539 | I | A | 0.0000 | |
| 540 | T | A | 0.0000 | |
| 541 | Q | A | -0.3781 | |
| 542 | M | A | -0.5579 | |
| 543 | N | A | -1.0518 | |
| 544 | L | A | -1.3245 | |
| 545 | K | A | -2.1281 | |
| 546 | Y | A | 0.0000 | |
| 547 | A | A | -0.5393 | |
| 548 | I | A | -0.2812 | |
| 549 | S | A | -0.5340 | |
| 550 | A | A | 0.0000 | |
| 551 | K | A | -1.6435 | |
| 552 | N | A | -1.9155 | |
| 553 | R | A | -1.7886 | |
| 554 | A | A | -1.7857 | |
| 555 | R | A | -2.3214 | |
| 556 | T | A | -1.1175 | |
| 557 | V | A | -0.4206 | |
| 558 | A | A | -0.4199 | |
| 559 | G | A | 0.0000 | |
| 560 | V | A | 0.0000 | |
| 561 | S | A | 0.0000 | |
| 562 | I | A | 0.0000 | |
| 563 | C | A | 0.0000 | |
| 564 | S | A | 0.0000 | |
| 565 | T | A | 0.0000 | |
| 566 | M | A | 0.0000 | |
| 567 | T | A | 0.0000 | |
| 568 | N | A | 0.0000 | |
| 569 | R | A | 0.0000 | |
| 570 | Q | A | 0.0000 | |
| 571 | F | A | 0.0000 | |
| 572 | H | A | 0.0000 | |
| 573 | Q | A | 0.0000 | |
| 574 | K | A | -0.9023 | |
| 575 | L | A | 0.0000 | |
| 576 | L | A | -0.6736 | |
| 577 | K | A | -1.6993 | |
| 578 | S | A | -0.7398 | |
| 579 | I | A | 0.0000 | |
| 580 | A | A | -0.6966 | |
| 581 | A | A | -0.6429 | |
| 582 | T | A | 0.0000 | |
| 583 | R | A | -2.0786 | |
| 584 | G | A | -1.5320 | |
| 585 | A | A | 0.0000 | |
| 586 | T | A | 0.0000 | |
| 587 | V | A | 0.0000 | |
| 588 | V | A | 0.0000 | |
| 589 | I | A | -0.0671 | |
| 590 | G | A | -0.3748 | |
| 591 | T | A | -0.3199 | |
| 592 | S | A | 0.0000 | |
| 593 | K | A | -0.5821 | |
| 594 | F | A | 0.7505 | |
| 595 | Y | A | 0.2183 | |
| 596 | G | A | -0.3882 | |
| 597 | G | A | -0.8106 | |
| 598 | W | A | 0.0000 | |
| 599 | H | A | -1.4756 | |
| 600 | N | A | -1.8962 | |
| 601 | M | A | -1.0192 | |
| 602 | L | A | -1.0457 | |
| 603 | K | A | -2.2435 | |
| 604 | T | A | -1.1541 | |
| 605 | V | A | 0.0000 | |
| 606 | Y | A | -0.6152 | |
| 607 | S | A | -1.2810 | |
| 608 | D | A | -1.7205 | |
| 609 | V | A | -1.5805 | |
| 610 | E | A | -2.3566 | |
| 611 | N | A | -2.0177 | |
| 612 | P | A | -1.7101 | |
| 613 | H | A | -1.4511 | |
| 614 | L | A | 0.0000 | |
| 615 | M | A | 0.0000 | |
| 616 | G | A | 0.0000 | |
| 617 | W | A | 0.0000 | |
| 618 | D | A | -1.0236 | |
| 619 | Y | A | 0.0000 | |
| 620 | P | A | -1.1592 | |
| 621 | K | A | -1.1676 | |
| 622 | C | A | -0.6098 | |
| 623 | D | A | -0.4894 | |
| 624 | R | A | -0.3973 | |
| 625 | A | A | -0.1511 | |
| 626 | M | A | 0.0000 | |
| 627 | P | A | 0.0000 | |
| 628 | N | A | 0.0000 | |
| 629 | M | A | 0.0000 | |
| 630 | L | A | 0.0000 | |
| 631 | R | A | -0.2030 | |
| 632 | I | A | 0.0000 | |
| 633 | M | A | 0.0000 | |
| 634 | A | A | 0.0000 | |
| 635 | S | A | 0.0000 | |
| 636 | L | A | 0.0000 | |
| 637 | V | A | 0.0000 | |
| 638 | L | A | 0.0000 | |
| 639 | A | A | 0.0000 | |
| 640 | R | A | -0.9465 | |
| 641 | K | A | 0.0000 | |
| 642 | H | A | 0.0000 | |
| 643 | T | A | -0.0247 | |
| 644 | T | A | 0.0376 | |
| 645 | C | A | 0.5961 | |
| 646 | C | A | 0.6136 | |
| 647 | S | A | 0.6721 | |
| 648 | L | A | 0.8828 | |
| 649 | S | A | 0.1451 | |
| 650 | H | A | 0.1830 | |
| 651 | R | A | 0.1736 | |
| 652 | F | A | 0.0000 | |
| 653 | Y | A | -0.0367 | |
| 654 | R | A | 0.0000 | |
| 655 | L | A | 0.0000 | |
| 656 | A | A | 0.0000 | |
| 657 | N | A | 0.0000 | |
| 658 | E | A | 0.0000 | |
| 659 | C | A | 0.0000 | |
| 660 | A | A | 0.0000 | |
| 661 | Q | A | 0.0000 | |
| 662 | V | A | 0.1248 | |
| 663 | L | A | 0.0000 | |
| 664 | S | A | 0.0000 | |
| 665 | E | A | 0.0000 | |
| 666 | M | A | 0.0000 | |
| 667 | V | A | 0.0000 | |
| 668 | M | A | 0.0520 | |
| 669 | C | A | -0.1808 | |
| 670 | G | A | 0.0476 | |
| 671 | G | A | 0.0000 | |
| 672 | S | A | 0.3683 | |
| 673 | L | A | 0.0000 | |
| 674 | Y | A | 0.0000 | |
| 675 | V | A | 0.0000 | |
| 676 | K | A | 0.0000 | |
| 677 | P | A | 0.0000 | |
| 678 | G | A | -0.1857 | |
| 679 | G | A | 0.0000 | |
| 680 | T | A | -0.0364 | |
| 681 | S | A | 0.0000 | |
| 682 | S | A | -0.0773 | |
| 683 | G | A | 0.0000 | |
| 684 | D | A | 0.0000 | |
| 685 | A | A | -0.0491 | |
| 686 | T | A | 0.0000 | |
| 687 | T | A | -0.0410 | |
| 688 | A | A | -0.0310 | |
| 689 | Y | A | 0.0000 | |
| 690 | A | A | 0.0000 | |
| 691 | N | A | 0.0000 | |
| 692 | S | A | 0.0000 | |
| 693 | V | A | 0.0000 | |
| 694 | F | A | 0.0000 | |
| 695 | N | A | 0.0000 | |
| 696 | I | A | 0.0000 | |
| 697 | C | A | 0.0000 | |
| 698 | Q | A | 0.0000 | |
| 699 | A | A | 0.0000 | |
| 700 | V | A | 0.0000 | |
| 701 | T | A | 0.0000 | |
| 702 | A | A | 0.0000 | |
| 703 | N | A | 0.0000 | |
| 704 | V | A | 0.0000 | |
| 705 | N | A | 0.0000 | |
| 706 | A | A | 0.0000 | |
| 707 | L | A | 0.0000 | |
| 708 | L | A | 0.0000 | |
| 709 | S | A | 0.0000 | |
| 710 | T | A | 0.0000 | |
| 711 | D | A | -1.5426 | |
| 712 | G | A | -1.0272 | |
| 713 | N | A | -1.3763 | |
| 714 | K | A | -2.9026 | |
| 715 | I | A | 0.0000 | |
| 716 | A | A | -2.0117 | |
| 717 | D | A | -2.4226 | |
| 718 | K | A | -2.7840 | |
| 719 | Y | A | -0.4350 | |
| 720 | V | A | 0.0000 | |
| 721 | R | A | -2.3415 | |
| 722 | N | A | -1.8689 | |
| 723 | L | A | 0.0000 | |
| 724 | Q | A | 0.0000 | |
| 725 | H | A | -1.8034 | |
| 726 | R | A | -1.9535 | |
| 727 | L | A | 0.0000 | |
| 728 | Y | A | 0.0000 | |
| 729 | E | A | -1.7678 | |
| 730 | C | A | 0.0000 | |
| 731 | L | A | 0.0000 | |
| 732 | Y | A | -0.4647 | |
| 733 | R | A | 0.0000 | |
| 734 | N | A | -2.0593 | |
| 735 | R | A | 0.0000 | |
| 736 | D | A | -2.6352 | |
| 737 | V | A | 0.0000 | |
| 738 | D | A | -2.6216 | |
| 739 | T | A | -2.1483 | |
| 740 | D | A | -2.6641 | |
| 741 | F | A | 0.0000 | |
| 742 | V | A | 0.0000 | |
| 743 | N | A | -1.9400 | |
| 744 | E | A | -1.3331 | |
| 745 | F | A | 0.0000 | |
| 746 | Y | A | 0.0000 | |
| 747 | A | A | -0.8321 | |
| 748 | Y | A | -0.7610 | |
| 749 | L | A | 0.0000 | |
| 750 | R | A | -1.2908 | |
| 751 | K | A | -2.2342 | |
| 752 | H | A | 0.0000 | |
| 753 | F | A | 0.0000 | |
| 754 | S | A | 0.0000 | |
| 755 | M | A | 0.0000 | |
| 756 | M | A | 0.0000 | |
| 757 | I | A | 0.0000 | |
| 758 | L | A | 0.0000 | |
| 759 | S | A | -0.3110 | |
| 760 | D | A | -0.5808 | |
| 761 | D | A | 0.0000 | |
| 762 | A | A | -0.1682 | |
| 763 | V | A | 0.0000 | |
| 764 | V | A | 0.0000 | |
| 765 | C | A | 0.0000 | |
| 766 | F | A | 0.0000 | |
| 767 | N | A | -1.1581 | |
| 768 | S | A | -0.9952 | |
| 769 | T | A | -0.8315 | |
| 770 | Y | A | 0.0000 | |
| 771 | A | A | -0.5359 | |
| 772 | S | A | -0.8045 | |
| 773 | Q | A | -1.6603 | |
| 774 | G | A | -1.1936 | |
| 775 | L | A | 0.0000 | |
| 776 | V | A | 0.0788 | |
| 777 | A | A | 0.0603 | |
| 778 | S | A | 0.0000 | |
| 779 | I | A | 1.1285 | |
| 780 | K | A | -0.3049 | |
| 781 | N | A | 0.0000 | |
| 782 | F | A | 0.4047 | |
| 783 | K | A | -0.0038 | |
| 784 | S | A | 0.0000 | |
| 785 | V | A | 0.0000 | |
| 786 | L | A | 0.0000 | |
| 787 | Y | A | 0.2144 | |
| 788 | Y | A | 0.1979 | |
| 789 | Q | A | 0.0000 | |
| 790 | N | A | 0.0000 | |
| 791 | N | A | 0.0000 | |
| 792 | V | A | 0.0000 | |
| 793 | F | A | 0.0000 | |
| 794 | M | A | -0.5392 | |
| 795 | S | A | -0.9684 | |
| 796 | E | A | -1.3117 | |
| 797 | A | A | -1.2896 | |
| 798 | K | A | -1.6798 | |
| 799 | C | A | -0.2747 | |
| 800 | W | A | 0.1680 | |
| 801 | T | A | -0.0150 | |
| 802 | E | A | -0.8769 | |
| 803 | T | A | -1.3871 | |
| 804 | D | A | -2.4066 | |
| 805 | L | A | 0.0000 | |
| 806 | T | A | -0.8725 | |
| 807 | K | A | -0.7651 | |
| 808 | G | A | -0.4016 | |
| 809 | P | A | -0.5693 | |
| 810 | H | A | 0.0000 | |
| 811 | E | A | -0.7490 | |
| 812 | F | A | 0.0000 | |
| 813 | C | A | -0.5981 | |
| 814 | S | A | -0.6285 | |
| 815 | Q | A | 0.0000 | |
| 816 | H | A | -1.2633 | |
| 817 | T | A | 0.0000 | |
| 818 | M | A | -0.0646 | |
| 819 | L | A | 0.0553 | |
| 820 | V | A | -0.1061 | |
| 821 | K | A | -2.4379 | |
| 822 | Q | A | -2.8945 | |
| 823 | G | A | -2.7261 | |
| 824 | D | A | -3.6119 | |
| 825 | D | A | -3.4140 | |
| 826 | Y | A | 0.0000 | |
| 827 | V | A | -0.7238 | |
| 828 | Y | A | 0.0000 | |
| 829 | L | A | 0.0000 | |
| 830 | P | A | 0.0000 | |
| 831 | Y | A | 0.0000 | |
| 832 | P | A | 0.0000 | |
| 833 | D | A | -0.9874 | |
| 834 | P | A | 0.0000 | |
| 835 | S | A | -1.0271 | |
| 836 | R | A | -1.6659 | |
| 837 | I | A | 0.0000 | |
| 838 | L | A | 0.0000 | |
| 839 | G | A | -0.5028 | |
| 840 | A | A | -0.1192 | |
| 841 | G | A | 0.0000 | |
| 842 | C | A | 0.0000 | |
| 843 | F | A | 0.6103 | |
| 844 | V | A | 0.0987 | |
| 845 | D | A | 0.0000 | |
| 846 | D | A | -0.6533 | |
| 847 | I | A | -0.4980 | |
| 848 | V | A | 0.0000 | |
| 849 | K | A | -0.8011 | |
| 850 | T | A | 0.0000 | |
| 851 | D | A | -0.7920 | |
| 852 | G | A | 0.0000 | |
| 853 | T | A | 0.0000 | |
| 854 | L | A | -0.7240 | |
| 855 | M | A | 0.0000 | |
| 856 | I | A | 0.0000 | |
| 857 | E | A | -2.0247 | |
| 858 | R | A | -2.1634 | |
| 859 | F | A | 0.0000 | |
| 860 | V | A | -0.6524 | |
| 861 | S | A | -0.5296 | |
| 862 | L | A | -0.2663 | |
| 863 | A | A | 0.0000 | |
| 864 | I | A | 0.0000 | |
| 865 | D | A | 0.1864 | |
| 866 | A | A | 0.0000 | |
| 867 | Y | A | 0.0000 | |
| 868 | P | A | 0.0000 | |
| 869 | L | A | 0.0000 | |
| 870 | T | A | -1.1497 | |
| 871 | K | A | -1.4413 | |
| 872 | H | A | -1.4737 | |
| 873 | P | A | -1.5943 | |
| 874 | N | A | -2.1681 | |
| 875 | Q | A | -1.9936 | |
| 876 | E | A | 0.0000 | |
| 877 | Y | A | -1.1759 | |
| 878 | A | A | -1.2528 | |
| 879 | D | A | 0.0000 | |
| 880 | V | A | 0.0000 | |
| 881 | F | A | -0.1883 | |
| 882 | H | A | -0.8106 | |
| 883 | L | A | 0.0000 | |
| 884 | Y | A | 0.0000 | |
| 885 | L | A | -0.8356 | |
| 886 | Q | A | -1.3100 | |
| 887 | Y | A | 0.0000 | |
| 888 | I | A | 0.0000 | |
| 889 | R | A | -3.0132 | |
| 890 | K | A | -2.6872 | |
| 891 | L | A | 0.0000 | |
| 892 | H | A | -2.1489 | |
| 893 | D | A | -2.8454 | |
| 894 | E | A | -2.0757 | |
| 895 | L | A | 0.0000 | |
| 896 | T | A | -0.6366 | |
| 897 | G | A | -0.7170 | |
| 898 | H | A | -0.8573 | |
| 899 | M | A | 0.0000 | |
| 900 | L | A | 1.3204 | |
| 901 | D | A | -0.3600 | |
| 902 | M | A | 1.3462 | |
| 903 | Y | A | 2.1446 | |
| 904 | S | A | 1.9246 | |
| 905 | V | A | 2.5567 | |
| 906 | M | A | 0.9992 | |
| 907 | L | A | -0.1022 | |
| 908 | T | A | -1.4743 | |
| 909 | N | A | -2.3874 | |
| 910 | D | A | -3.1624 | |
| 911 | N | A | -2.6571 | |
| 912 | T | A | 0.0000 | |
| 913 | S | A | -2.1246 | |
| 914 | R | A | -2.4721 | |
| 915 | Y | A | 0.0000 | |
| 916 | W | A | -1.5291 | |
| 917 | E | A | -2.3319 | |
| 918 | P | A | -1.6837 | |
| 919 | E | A | -2.0993 | |
| 920 | F | A | -0.8677 | |
| 921 | Y | A | 0.0000 | |
| 922 | E | A | -1.7462 | |
| 923 | A | A | -0.5543 | |
| 924 | M | A | 0.1923 | |
| 925 | Y | A | 0.0000 | |
| 926 | T | A | -0.2789 | |
| 927 | P | A | -0.6403 | |
| 928 | H | A | -0.7535 | |
| 929 | T | A | -0.7033 | |
| 6 | F | B | 2.1660 | |
| 7 | S | B | 1.3075 | |
| 8 | S | B | 1.1380 | |
| 9 | L | B | 2.0590 | |
| 10 | P | B | 1.2510 | |
| 11 | S | B | 0.0000 | |
| 12 | Y | B | 1.5751 | |
| 13 | A | B | 1.0706 | |
| 14 | A | B | 0.3562 | |
| 15 | F | B | 0.1468 | |
| 16 | A | B | -0.2922 | |
| 17 | T | B | -0.6459 | |
| 18 | A | B | -1.2889 | |
| 19 | Q | B | -2.1700 | |
| 20 | E | B | -2.8643 | |
| 21 | A | B | -1.6874 | |
| 22 | Y | B | -1.9081 | |
| 23 | E | B | -2.7587 | |
| 24 | Q | B | -2.5354 | |
| 25 | A | B | -1.2526 | |
| 26 | V | B | -0.3928 | |
| 27 | A | B | -1.0080 | |
| 28 | N | B | -1.7450 | |
| 29 | G | B | -1.4742 | |
| 30 | D | B | -1.0002 | |
| 31 | S | B | -1.0578 | |
| 32 | E | B | -1.4695 | |
| 33 | V | B | -0.0680 | |
| 34 | V | B | -0.5457 | |
| 35 | L | B | -1.5005 | |
| 36 | K | B | -2.9479 | |
| 37 | K | B | -2.8608 | |
| 38 | L | B | -1.9537 | |
| 39 | K | B | -3.0979 | |
| 40 | K | B | -3.3878 | |
| 41 | S | B | -1.8871 | |
| 42 | L | B | -1.8072 | |
| 43 | N | B | -2.5183 | |
| 44 | V | B | -0.3341 | |
| 45 | A | B | -1.0278 | |
| 46 | K | B | -2.5217 | |
| 47 | S | B | -1.9627 | |
| 48 | E | B | -1.3651 | |
| 49 | F | B | -0.7535 | |
| 50 | D | B | -2.8538 | |
| 51 | R | B | -2.6191 | |
| 52 | D | B | 0.0000 | |
| 53 | A | B | -1.1995 | |
| 54 | A | B | -1.3437 | |
| 55 | M | B | -0.3877 | |
| 56 | Q | B | -1.6574 | |
| 57 | R | B | -3.0454 | |
| 58 | K | B | -2.5868 | |
| 59 | L | B | -1.1992 | |
| 60 | E | B | -3.4181 | |
| 61 | K | B | -3.5002 | |
| 62 | M | B | -1.2943 | |
| 63 | A | B | -1.6249 | |
| 64 | D | B | -2.7397 | |
| 65 | Q | B | -2.2949 | |
| 66 | A | B | -0.8364 | |
| 67 | M | B | 0.5224 | |
| 68 | T | B | -0.9228 | |
| 69 | Q | B | -1.7466 | |
| 70 | M | B | 0.0268 | |
| 71 | Y | B | -0.4425 | |
| 72 | K | B | -2.8401 | |
| 73 | Q | B | -2.9463 | |
| 74 | A | B | -2.5286 | |
| 75 | R | B | -3.7843 | |
| 76 | S | B | -3.2999 | |
| 77 | E | B | -3.8227 | |
| 78 | D | B | -3.6364 | |
| 79 | K | B | -2.7929 | |
| 80 | R | B | -2.3382 | |
| 81 | A | B | -1.8841 | |
| 82 | K | B | -1.7347 | |
| 83 | V | B | 0.0000 | |
| 84 | T | B | -0.9279 | |
| 85 | S | B | -0.9800 | |
| 86 | A | B | -0.4509 | |
| 87 | M | B | 0.0000 | |
| 88 | Q | B | -0.6659 | |
| 89 | T | B | 0.1536 | |
| 90 | M | B | 0.1343 | |
| 91 | L | B | 0.3990 | |
| 92 | F | B | 1.0514 | |
| 93 | T | B | -0.3126 | |
| 94 | M | B | 0.0000 | |
| 95 | L | B | 0.0000 | |
| 96 | R | B | -2.4358 | |
| 97 | K | B | -2.8237 | |
| 98 | L | B | 0.0000 | |
| 99 | D | B | -3.1641 | |
| 100 | N | B | 0.0000 | |
| 101 | D | B | -2.4700 | |
| 102 | A | B | -1.6390 | |
| 103 | L | B | 0.0000 | |
| 104 | N | B | 0.0000 | |
| 105 | N | B | -2.4536 | |
| 106 | I | B | -1.6793 | |
| 107 | I | B | 0.0000 | |
| 108 | N | B | -3.2816 | |
| 109 | N | B | -2.9084 | |
| 110 | A | B | -2.3410 | |
| 111 | R | B | -3.4863 | |
| 112 | D | B | -3.6613 | |
| 113 | G | B | -2.3682 | |
| 114 | C | B | 0.0000 | |
| 115 | V | B | 0.0000 | |
| 116 | P | B | 0.0000 | |
| 117 | L | B | 0.0000 | |
| 118 | N | B | 0.3647 | |
| 119 | I | B | 0.5593 | |
| 120 | I | B | 0.0000 | |
| 121 | P | B | 0.0000 | |
| 122 | L | B | 0.7510 | |
| 123 | T | B | 0.3395 | |
| 124 | T | B | -0.5983 | |
| 125 | A | B | 0.0000 | |
| 126 | A | B | -0.7754 | |
| 127 | K | B | -0.9446 | |
| 128 | L | B | -0.0650 | |
| 129 | M | B | 0.0000 | |
| 130 | V | B | 0.0000 | |
| 131 | V | B | 0.0000 | |
| 132 | I | B | 0.0000 | |
| 133 | P | B | -1.1218 | |
| 134 | D | B | -1.7473 | |
| 135 | Y | B | -1.3961 | |
| 136 | N | B | -2.2528 | |
| 137 | T | B | 0.0000 | |
| 138 | Y | B | 0.0000 | |
| 139 | K | B | -3.1642 | |
| 140 | N | B | -3.1943 | |
| 141 | T | B | -2.2821 | |
| 142 | C | B | -1.0249 | |
| 143 | D | B | -1.6418 | |
| 144 | G | B | -1.0330 | |
| 145 | T | B | -0.7102 | |
| 146 | T | B | -0.2175 | |
| 147 | F | B | 0.7303 | |
| 148 | T | B | 0.8797 | |
| 149 | Y | B | 1.3087 | |
| 150 | A | B | 0.7853 | |
| 151 | S | B | 0.4193 | |
| 152 | A | B | 0.6767 | |
| 153 | L | B | 1.1951 | |
| 154 | W | B | 0.0000 | |
| 155 | E | B | -1.4092 | |
| 156 | I | B | -1.3445 | |
| 157 | Q | B | -1.9215 | |
| 158 | Q | B | -1.2866 | |
| 159 | V | B | -0.1201 | |
| 160 | V | B | 0.4403 | |
| 161 | D | B | 0.0000 | |
| 162 | A | B | -0.1312 | |
| 163 | D | B | -1.1371 | |
| 164 | S | B | -0.3078 | |
| 165 | K | B | 0.2581 | |
| 166 | I | B | 1.8082 | |
| 167 | V | B | 1.2068 | |
| 168 | Q | B | -0.8151 | |
| 169 | L | B | 0.0000 | |
| 170 | S | B | -1.8955 | |
| 171 | E | B | -2.8433 | |
| 172 | I | B | -1.4747 | |
| 173 | S | B | -1.2517 | |
| 174 | M | B | -1.2177 | |
| 175 | D | B | -1.8062 | |
| 176 | N | B | 0.0000 | |
| 177 | S | B | -1.0970 | |
| 178 | P | B | -1.4088 | |
| 179 | N | B | -1.4326 | |
| 180 | L | B | -0.0277 | |
| 181 | A | B | -0.1897 | |
| 182 | W | B | 0.0000 | |
| 183 | P | B | 0.0426 | |
| 184 | L | B | 0.0000 | |
| 185 | I | B | 0.0000 | |
| 186 | V | B | 0.0000 | |
| 187 | T | B | -0.6766 | |
| 188 | A | B | 0.0000 | |
| 189 | L | B | -0.7387 | |
| 190 | R | B | -1.2564 | |
| 191 | A | B | -0.4346 | |
| 1 | S | C | -1.7837 | |
| 2 | K | C | -2.0699 | |
| 3 | M | C | -1.5656 | |
| 4 | S | C | 0.0000 | |
| 5 | D | C | 0.0000 | |
| 6 | V | C | 0.0000 | |
| 7 | K | C | 0.0000 | |
| 8 | C | C | 0.0000 | |
| 9 | T | C | 0.0000 | |
| 10 | S | C | 0.0000 | |
| 11 | V | C | 0.0000 | |
| 12 | V | C | 0.0000 | |
| 13 | L | C | 0.0000 | |
| 14 | L | C | 0.0000 | |
| 15 | S | C | 0.0000 | |
| 16 | V | C | 0.0000 | |
| 17 | L | C | 0.0000 | |
| 18 | Q | C | 0.0000 | |
| 19 | Q | C | -1.4715 | |
| 20 | L | C | -0.3838 | |
| 21 | R | C | -1.8736 | |
| 22 | V | C | -0.8046 | |
| 23 | E | C | -0.8280 | |
| 24 | S | C | -0.7235 | |
| 25 | S | C | 0.0000 | |
| 26 | S | C | -0.8001 | |
| 27 | K | C | -0.7650 | |
| 28 | L | C | -0.6070 | |
| 29 | W | C | 0.0000 | |
| 30 | A | C | -0.4868 | |
| 31 | Q | C | -0.6722 | |
| 32 | C | C | 0.0000 | |
| 33 | V | C | 0.0000 | |
| 34 | Q | C | -1.2287 | |
| 35 | L | C | -0.3030 | |
| 36 | H | C | 0.0000 | |
| 37 | N | C | 0.0000 | |
| 38 | D | C | -0.9876 | |
| 39 | I | C | 0.0000 | |
| 40 | L | C | 0.0000 | |
| 41 | L | C | 0.2715 | |
| 42 | A | C | -1.1742 | |
| 43 | K | C | -2.2982 | |
| 44 | D | C | -2.6360 | |
| 45 | T | C | -1.9891 | |
| 46 | T | C | -1.3377 | |
| 47 | E | C | -1.5864 | |
| 48 | A | C | 0.0000 | |
| 49 | F | C | -0.9249 | |
| 50 | E | C | -0.4958 | |
| 51 | K | C | -0.4832 | |
| 52 | M | C | 0.0000 | |
| 53 | V | C | 0.0000 | |
| 54 | S | C | 0.0000 | |
| 55 | L | C | 0.0000 | |
| 56 | L | C | 0.0000 | |
| 57 | S | C | 0.0000 | |
| 58 | V | C | 0.2678 | |
| 59 | L | C | 0.0000 | |
| 60 | L | C | 0.0000 | |
| 61 | S | C | 0.0584 | |
| 62 | M | C | -0.4745 | |
| 63 | Q | C | -1.1469 | |
| 64 | G | C | -1.0309 | |
| 65 | A | C | 0.0000 | |
| 66 | V | C | 0.0000 | |
| 67 | D | C | -1.4745 | |
| 68 | I | C | -1.4326 | |
| 69 | N | C | -1.9195 | |
| 70 | K | C | -1.6523 | |
| 71 | L | C | 0.0000 | |
| 72 | C | C | -0.5538 | |
| 73 | E | C | 0.0000 | |
| 6 | F | D | 1.7795 | |
| 7 | S | D | 1.2930 | |
| 8 | S | D | 1.3136 | |
| 9 | L | D | 1.9822 | |
| 10 | P | D | 1.0823 | |
| 11 | S | D | 0.0000 | |
| 12 | Y | D | 1.6418 | |
| 13 | A | D | 1.1208 | |
| 14 | A | D | 0.4809 | |
| 15 | F | D | 0.4778 | |
| 16 | A | D | 0.1131 | |
| 17 | T | D | -0.6999 | |
| 18 | A | D | -1.4008 | |
| 19 | Q | D | -1.9677 | |
| 20 | E | D | -2.6743 | |
| 21 | A | D | -1.5964 | |
| 22 | Y | D | -1.3986 | |
| 23 | E | D | -2.4110 | |
| 24 | Q | D | -2.3653 | |
| 25 | A | D | 0.0000 | |
| 26 | V | D | -0.1132 | |
| 27 | A | D | -1.0015 | |
| 28 | N | D | -1.7129 | |
| 29 | G | D | -1.4051 | |
| 30 | D | D | -1.2457 | |
| 31 | S | D | -1.0683 | |
| 32 | E | D | -1.4045 | |
| 33 | V | D | -0.0049 | |
| 34 | V | D | -0.4345 | |
| 35 | L | D | -1.2330 | |
| 36 | K | D | -2.6032 | |
| 37 | K | D | -2.7430 | |
| 38 | L | D | -1.9254 | |
| 39 | K | D | -2.7616 | |
| 40 | K | D | -3.2849 | |
| 41 | S | D | -1.8332 | |
| 42 | L | D | -1.8449 | |
| 43 | N | D | -2.2783 | |
| 44 | V | D | -0.7209 | |
| 45 | A | D | -1.1954 | |
| 46 | K | D | -2.3856 | |
| 47 | S | D | -2.2747 | |
| 48 | E | D | -2.3804 | |
| 49 | F | D | -1.6157 | |
| 50 | D | D | -3.1339 | |
| 51 | R | D | -3.3579 | |
| 52 | D | D | -2.2694 | |
| 53 | A | D | -1.8928 | |
| 54 | A | D | -1.7506 | |
| 55 | M | D | -1.2865 | |
| 56 | Q | D | -1.7919 | |
| 57 | R | D | -3.2788 | |
| 58 | K | D | -2.6043 | |
| 59 | L | D | -1.1010 | |
| 60 | E | D | -2.5738 | |
| 61 | K | D | -3.0970 | |
| 62 | M | D | -0.9614 | |
| 63 | A | D | -1.0907 | |
| 64 | D | D | 0.0000 | |
| 65 | Q | D | -1.6806 | |
| 66 | A | D | -0.6970 | |
| 67 | M | D | -0.0610 | |
| 68 | T | D | -0.6585 | |
| 69 | Q | D | -1.4266 | |
| 70 | M | D | -0.3047 | |
| 71 | Y | D | 0.0305 | |
| 72 | K | D | -1.1226 | |
| 73 | Q | D | -1.8576 | |
| 74 | A | D | -1.6261 | |
| 75 | R | D | -2.1054 | |
| 76 | S | D | -2.6689 | |
| 77 | E | D | -3.7398 | |
| 78 | D | D | -3.5722 | |
| 79 | K | D | -3.2234 | |
| 80 | R | D | -3.5438 | |
| 81 | A | D | -2.6316 | |
| 82 | K | D | -2.8969 | |
| 83 | V | D | -1.4385 | |
| 84 | T | D | -0.8259 | |
| 85 | S | D | -0.7062 | |
| 86 | A | D | -0.3974 | |
| 87 | M | D | 0.0000 | |
| 88 | Q | D | -0.2920 | |
| 89 | T | D | -0.1431 | |
| 90 | M | D | -0.1161 | |
| 91 | L | D | 0.0000 | |
| 92 | F | D | -0.5661 | |
| 93 | T | D | -1.0785 | |
| 94 | M | D | 0.0000 | |
| 95 | L | D | 0.0000 | |
| 96 | R | D | -3.1428 | |
| 97 | K | D | -2.8731 | |
| 98 | L | D | 0.0000 | |
| 99 | D | D | -3.8755 | |
| 100 | N | D | 0.0000 | |
| 101 | D | D | -2.7298 | |
| 102 | A | D | 0.0000 | |
| 103 | L | D | 0.0000 | |
| 104 | N | D | -2.4703 | |
| 105 | N | D | -2.0440 | |
| 106 | I | D | 0.0000 | |
| 107 | I | D | 0.0000 | |
| 108 | N | D | -1.8859 | |
| 109 | N | D | -1.4184 | |
| 110 | A | D | 0.0000 | |
| 111 | R | D | -2.5867 | |
| 112 | D | D | -1.9336 | |
| 113 | G | D | 0.0000 | |
| 114 | C | D | 0.0000 | |
| 115 | V | D | 0.0947 | |
| 116 | P | D | 0.0000 | |
| 117 | L | D | 1.1628 | |
| 118 | N | D | 0.0441 | |
| 119 | I | D | 0.0000 | |
| 120 | I | D | 0.0548 | |
| 121 | P | D | 0.0000 | |
| 122 | L | D | 0.0000 | |
| 123 | T | D | -0.1422 | |
| 124 | T | D | -0.2961 | |
| 125 | A | D | -0.4158 | |
| 126 | A | D | -0.8101 | |
| 127 | K | D | -1.7380 | |
| 128 | L | D | 0.0000 | |
| 129 | M | D | 0.4085 | |
| 130 | V | D | 0.0000 | |
| 131 | V | D | 0.6860 | |
| 132 | I | D | 0.0000 | |
| 133 | P | D | 0.0000 | |
| 134 | D | D | -1.9850 | |
| 135 | Y | D | -2.0532 | |
| 136 | N | D | -2.6481 | |
| 137 | T | D | -2.0080 | |
| 138 | Y | D | 0.0000 | |
| 139 | K | D | -3.8118 | |
| 140 | N | D | -2.7934 | |
| 141 | T | D | -1.8347 | |
| 142 | C | D | 0.0000 | |
| 143 | D | D | -3.0407 | |
| 144 | G | D | -2.3326 | |
| 145 | T | D | -1.7758 | |
| 146 | T | D | -1.3102 | |
| 147 | F | D | 0.0000 | |
| 148 | T | D | -0.3804 | |
| 149 | Y | D | 0.0000 | |
| 150 | A | D | -0.3905 | |
| 151 | S | D | -0.2089 | |
| 152 | A | D | 0.4352 | |
| 153 | L | D | 1.0324 | |
| 154 | W | D | 0.0000 | |
| 155 | E | D | -1.4830 | |
| 156 | I | D | 0.0000 | |
| 157 | Q | D | -2.0033 | |
| 158 | Q | D | -1.4501 | |
| 159 | V | D | -0.1127 | |
| 160 | V | D | 0.0000 | |
| 161 | D | D | -1.3205 | |
| 162 | A | D | -1.4352 | |
| 163 | D | D | -2.4515 | |
| 164 | S | D | -1.9180 | |
| 165 | K | D | -2.3786 | |
| 166 | I | D | -0.5716 | |
| 167 | V | D | 0.0000 | |
| 168 | Q | D | -1.1535 | |
| 169 | L | D | 0.0000 | |
| 170 | S | D | -2.0695 | |
| 171 | E | D | -2.7877 | |
| 172 | I | D | 0.0000 | |
| 173 | S | D | -2.8393 | |
| 174 | M | D | 0.0000 | |
| 175 | D | D | -3.2240 | |
| 176 | N | D | -2.6703 | |
| 177 | S | D | -1.8811 | |
| 178 | P | D | -1.6894 | |
| 179 | N | D | -1.9391 | |
| 180 | L | D | -1.0373 | |
| 181 | A | D | -0.2565 | |
| 182 | W | D | 0.5162 | |
| 183 | P | D | -0.4351 | |
| 184 | L | D | 0.0000 | |
| 185 | I | D | 0.7471 | |
| 186 | V | D | 0.0000 | |
| 187 | T | D | -0.5799 | |
| 188 | A | D | 0.0000 | |
| 189 | L | D | -0.8321 | |
| 190 | R | D | -1.0980 | |
| 191 | A | D | -0.2065 |
CABS-flex predictions of flexibility of input structure
In dynamic mode, A3D analysis is performed on the set of models reflecting fluctuations of the input structure (predicted
by CABS-flex method, models are numbered from 0 to 11) and the input model.
Their A3D scores are provided below in the table.
The right panel presents comparison of the most aggregation prone model (with the highest A3D score, -0.6422 in this case) with the input model
(the most aggregation prone model in blue, input in red) and RMSF plot which shows the extent of residue fluctuations in Angstroms (predicted by CABS-flex).
Model |
Average A3D Score |
|||
| model_6 | -0.6422 | View | CSV | PDB |
| model_4 | -0.6427 | View | CSV | PDB |
| model_2 | -0.6599 | View | CSV | PDB |
| model_1 | -0.6664 | View | CSV | PDB |
| model_7 | -0.6793 | View | CSV | PDB |
| model_11 | -0.6794 | View | CSV | PDB |
| model_3 | -0.6904 | View | CSV | PDB |
| model_0 | -0.6933 | View | CSV | PDB |
| model_9 | -0.6945 | View | CSV | PDB |
| model_8 | -0.6988 | View | CSV | PDB |
| model_5 | -0.7098 | View | CSV | PDB |
| model_10 | -0.7185 | View | CSV | PDB |
| input | -0.8522 | 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