| Chain sequence(s) |
A: QVQLVESGGGLVQPGGSLRLSCAASGSDFSRNALRWYRQAPGKEREWVCGINWTGSGTAYADSVKGRFTISRDDARNTVYLQLNSLKPEDTAVYYCARLACSNCFPYKHYVYWGQGTQVTVSSGGGGSGGGGSGGGGSQVQLQESGGGLVQPGGSLRLSCAASGYTFTSDCMGWFRQTPGKEREWVALIYTDGNSTNYADSVKGRFTISRDNSKNTVYLQMNSLKPEDTAMYYCAARRGACSLRLPDYWGQGTQVTVSSGGGGSGGGGSGGGGSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVESKYGPPCPPCPAPEFEGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLWCLVKGFYPSDIAVEWESNGQPENNYKTTPPMLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGGGGGSGGGGSGGGGSQVQLVESGGGLVKPGGSLRLSCAASGFTFSDYSMTWVRQAPGKGLEWVSYISSGGGTIYYADSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCAREAPLRLGESPHDAFDIWGQGTMVTVSS
B: QLLFNKTKSVEFTFCNDTVVIPCFVTNMEAQNTTEVYVKWKFKGRDIYTFDGALNKSTVPTDFSSAKIEVSQLLKGDASLKMDKS 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 (00:15:11)
[INFO] Main: Simulation completed successfully. (00:15:25)
|
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 | Q | A | -1.7620 | |
| 2 | V | A | -1.1988 | |
| 3 | Q | A | -1.1968 | |
| 4 | L | A | 0.0000 | |
| 5 | V | A | 1.0815 | |
| 6 | E | A | 0.0000 | |
| 7 | S | A | -0.4872 | |
| 8 | G | A | -0.9625 | |
| 9 | G | A | -0.7937 | |
| 10 | G | A | -0.0589 | |
| 11 | L | A | 0.9426 | |
| 12 | V | A | 0.0000 | |
| 13 | Q | A | -1.4626 | |
| 14 | P | A | -1.6995 | |
| 15 | G | A | -1.3894 | |
| 16 | G | A | -0.9286 | |
| 17 | S | A | -1.2620 | |
| 18 | L | A | -1.0757 | |
| 19 | R | A | -2.0877 | |
| 20 | L | A | 0.0000 | |
| 21 | S | A | -0.3688 | |
| 22 | C | A | 0.0000 | |
| 23 | A | A | -0.1195 | |
| 24 | A | A | 0.0000 | |
| 25 | S | A | -1.5430 | |
| 26 | G | A | -1.9697 | |
| 27 | S | A | -1.9852 | |
| 28 | D | A | -2.1695 | |
| 29 | F | A | 0.0000 | |
| 30 | S | A | -1.4939 | |
| 31 | R | A | -2.0187 | |
| 32 | N | A | 0.0000 | |
| 33 | A | A | -0.2098 | |
| 34 | L | A | 0.0000 | |
| 35 | R | A | 0.0170 | |
| 36 | W | A | 0.0000 | |
| 37 | Y | A | 0.0000 | |
| 38 | R | A | 0.0000 | |
| 39 | Q | A | -2.1349 | |
| 40 | A | A | -2.1485 | |
| 41 | P | A | -1.5171 | |
| 42 | G | A | -1.8738 | |
| 43 | K | A | -3.4434 | |
| 44 | E | A | -3.7035 | |
| 45 | R | A | -2.4532 | |
| 46 | E | A | -1.9079 | |
| 47 | W | A | -0.7875 | |
| 48 | V | A | 0.0000 | |
| 49 | C | A | 0.0000 | |
| 50 | G | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | N | A | -0.3434 | |
| 53 | W | A | 0.0366 | |
| 54 | T | A | -0.3413 | |
| 55 | G | A | -0.5209 | |
| 56 | S | A | -0.3846 | |
| 57 | G | A | -0.3176 | |
| 58 | T | A | -0.3430 | |
| 59 | A | A | -0.4504 | |
| 60 | Y | A | -0.8620 | |
| 61 | A | A | -1.3914 | |
| 62 | D | A | -2.6526 | |
| 63 | S | A | -1.9584 | |
| 64 | V | A | 0.0000 | |
| 65 | K | A | -2.6811 | |
| 66 | G | A | -1.7890 | |
| 67 | R | A | -1.6028 | |
| 68 | F | A | 0.0000 | |
| 69 | T | A | -0.8405 | |
| 70 | I | A | 0.0000 | |
| 71 | S | A | -0.5709 | |
| 72 | R | A | -1.0112 | |
| 73 | D | A | -1.7086 | |
| 74 | D | A | -2.3408 | |
| 75 | A | A | -1.7537 | |
| 76 | R | A | -2.5356 | |
| 77 | N | A | -2.1350 | |
| 78 | T | A | 0.0000 | |
| 79 | V | A | 0.0000 | |
| 80 | Y | A | -0.5913 | |
| 81 | L | A | 0.0000 | |
| 82 | Q | A | -1.2458 | |
| 83 | L | A | 0.0000 | |
| 84 | N | A | -1.3268 | |
| 85 | S | A | -1.2259 | |
| 86 | L | A | 0.0000 | |
| 87 | K | A | -2.2851 | |
| 88 | P | A | -1.9419 | |
| 89 | E | A | -2.2918 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -0.9420 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | -0.9249 | |
| 94 | Y | A | 0.0000 | |
| 95 | Y | A | -0.1922 | |
| 96 | C | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | R | A | 0.0000 | |
| 99 | L | A | 0.0000 | |
| 100 | A | A | -0.0088 | |
| 101 | C | A | 0.0170 | |
| 102 | S | A | -0.4515 | |
| 103 | N | A | -0.9060 | |
| 104 | C | A | 0.5558 | |
| 105 | F | A | 1.7470 | |
| 106 | P | A | 0.6825 | |
| 107 | Y | A | 0.9467 | |
| 108 | K | A | -0.7264 | |
| 109 | H | A | 0.1642 | |
| 110 | Y | A | 1.3075 | |
| 111 | V | A | 1.1985 | |
| 112 | Y | A | 1.1555 | |
| 113 | W | A | 0.8464 | |
| 114 | G | A | -0.0223 | |
| 115 | Q | A | -0.9519 | |
| 116 | G | A | -0.5039 | |
| 117 | T | A | 0.0000 | |
| 118 | Q | A | -1.1882 | |
| 119 | V | A | 0.0000 | |
| 120 | T | A | -0.3954 | |
| 121 | V | A | 0.0000 | |
| 122 | S | A | -0.6538 | |
| 123 | S | A | -1.3272 | |
| 124 | G | A | -1.4540 | |
| 125 | G | A | -1.1990 | |
| 126 | G | A | -1.1937 | |
| 127 | G | A | -1.2320 | |
| 128 | S | A | -1.1059 | |
| 129 | G | A | -1.1751 | |
| 130 | G | A | -1.2139 | |
| 131 | G | A | -1.1836 | |
| 132 | G | A | -1.2441 | |
| 133 | S | A | -1.1505 | |
| 134 | G | A | -1.1840 | |
| 135 | G | A | -1.4213 | |
| 136 | G | A | -1.3903 | |
| 137 | G | A | -1.6824 | |
| 138 | S | A | -1.4450 | |
| 139 | Q | A | -1.8874 | |
| 140 | V | A | -1.2205 | |
| 141 | Q | A | -1.9206 | |
| 142 | L | A | 0.0000 | |
| 143 | Q | A | -1.8186 | |
| 144 | E | A | -1.3543 | |
| 145 | S | A | -0.8122 | |
| 146 | G | A | -0.3250 | |
| 147 | G | A | -0.1587 | |
| 148 | G | A | 0.2024 | |
| 149 | L | A | 0.6296 | |
| 150 | V | A | -0.0350 | |
| 151 | Q | A | -1.3578 | |
| 152 | P | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | G | A | 0.0000 | |
| 155 | S | A | -0.2725 | |
| 156 | L | A | -0.1110 | |
| 157 | R | A | 0.0000 | |
| 158 | L | A | 0.0000 | |
| 159 | S | A | 0.0000 | |
| 160 | C | A | 0.0000 | |
| 161 | A | A | -0.9613 | |
| 162 | A | A | -0.9961 | |
| 163 | S | A | -1.1278 | |
| 164 | G | A | -1.0368 | |
| 165 | Y | A | 0.0000 | |
| 166 | T | A | -0.4978 | |
| 167 | F | A | 0.0000 | |
| 168 | T | A | -0.7960 | |
| 169 | S | A | -0.6949 | |
| 170 | D | A | 0.0000 | |
| 171 | C | A | 0.0000 | |
| 172 | M | A | 0.0000 | |
| 173 | G | A | 0.0000 | |
| 174 | W | A | 0.0000 | |
| 175 | F | A | -0.1177 | |
| 176 | R | A | -1.1098 | |
| 177 | Q | A | -1.9267 | |
| 178 | T | A | -1.9797 | |
| 179 | P | A | -1.3670 | |
| 180 | G | A | -1.7968 | |
| 181 | K | A | -3.3479 | |
| 182 | E | A | -3.5303 | |
| 183 | R | A | -2.6739 | |
| 184 | E | A | -2.0339 | |
| 185 | W | A | -0.4723 | |
| 186 | V | A | 0.0000 | |
| 187 | A | A | 0.0000 | |
| 188 | L | A | 0.2221 | |
| 189 | I | A | 0.0000 | |
| 190 | Y | A | -0.3968 | |
| 191 | T | A | -0.9629 | |
| 192 | D | A | -2.0956 | |
| 193 | G | A | 0.0000 | |
| 194 | N | A | -1.8348 | |
| 195 | S | A | -1.2749 | |
| 196 | T | A | -1.1154 | |
| 197 | N | A | -0.9906 | |
| 198 | Y | A | -1.0856 | |
| 199 | A | A | 0.0000 | |
| 200 | D | A | -2.3130 | |
| 201 | S | A | -1.4404 | |
| 202 | V | A | 0.0000 | |
| 203 | K | A | -2.2343 | |
| 204 | G | A | 0.0000 | |
| 205 | R | A | 0.0000 | |
| 206 | F | A | 0.0000 | |
| 207 | T | A | 0.0000 | |
| 208 | I | A | 0.0000 | |
| 209 | S | A | 0.0000 | |
| 210 | R | A | 0.0000 | |
| 211 | D | A | 0.0000 | |
| 212 | N | A | -2.3044 | |
| 213 | S | A | -2.2036 | |
| 214 | K | A | -1.9713 | |
| 215 | N | A | -1.6573 | |
| 216 | T | A | -1.0861 | |
| 217 | V | A | 0.0000 | |
| 218 | Y | A | 0.0000 | |
| 219 | L | A | 0.0000 | |
| 220 | Q | A | 0.0000 | |
| 221 | M | A | 0.0000 | |
| 222 | N | A | 0.0000 | |
| 223 | S | A | 0.0000 | |
| 224 | L | A | 0.0000 | |
| 225 | K | A | 0.0000 | |
| 226 | P | A | -1.2552 | |
| 227 | E | A | -1.8845 | |
| 228 | D | A | 0.0000 | |
| 229 | T | A | -0.5994 | |
| 230 | A | A | 0.0000 | |
| 231 | M | A | -0.2977 | |
| 232 | Y | A | 0.0000 | |
| 233 | Y | A | -0.4947 | |
| 234 | C | A | 0.0000 | |
| 235 | A | A | 0.0000 | |
| 236 | A | A | 0.0000 | |
| 237 | R | A | -0.9423 | |
| 238 | R | A | -1.3061 | |
| 239 | G | A | -0.9925 | |
| 240 | A | A | -0.3769 | |
| 241 | C | A | -0.2342 | |
| 242 | S | A | -0.5691 | |
| 243 | L | A | 0.0000 | |
| 244 | R | A | -1.3231 | |
| 245 | L | A | -0.5876 | |
| 246 | P | A | -0.5163 | |
| 247 | D | A | -0.5491 | |
| 248 | Y | A | -0.3330 | |
| 249 | W | A | -0.5412 | |
| 250 | G | A | -1.2317 | |
| 251 | Q | A | -2.1503 | |
| 252 | G | A | -0.9573 | |
| 253 | T | A | -0.8189 | |
| 254 | Q | A | -0.3215 | |
| 255 | V | A | 0.0000 | |
| 256 | T | A | -0.0961 | |
| 257 | V | A | 0.0000 | |
| 258 | S | A | -0.6926 | |
| 259 | S | A | -1.1001 | |
| 260 | G | A | -1.2266 | |
| 261 | G | A | -1.1690 | |
| 262 | G | A | -1.1916 | |
| 263 | G | A | -1.2251 | |
| 264 | S | A | -1.0736 | |
| 265 | G | A | -1.1629 | |
| 266 | G | A | -1.2092 | |
| 267 | G | A | -1.1833 | |
| 268 | G | A | -1.1888 | |
| 269 | S | A | -1.0427 | |
| 270 | G | A | -1.1398 | |
| 271 | G | A | -1.1886 | |
| 272 | G | A | -1.1100 | |
| 273 | G | A | -0.9936 | |
| 274 | S | A | -0.4802 | |
| 275 | A | A | -0.1897 | |
| 276 | S | A | -0.5936 | |
| 277 | T | A | -1.2123 | |
| 278 | K | A | -1.5325 | |
| 279 | G | A | -1.7951 | |
| 280 | P | A | 0.0000 | |
| 281 | S | A | -0.6144 | |
| 282 | V | A | 0.0000 | |
| 283 | F | A | 0.5326 | |
| 284 | P | A | 0.1412 | |
| 285 | L | A | 0.6231 | |
| 286 | A | A | -0.0174 | |
| 287 | P | A | 0.0000 | |
| 288 | S | A | -0.5774 | |
| 289 | S | A | -0.9770 | |
| 290 | K | A | -1.9817 | |
| 291 | S | A | -1.1973 | |
| 292 | T | A | -1.0376 | |
| 293 | S | A | -1.0596 | |
| 294 | G | A | -0.9443 | |
| 295 | G | A | -0.7117 | |
| 296 | T | A | -0.5230 | |
| 297 | A | A | 0.0000 | |
| 298 | A | A | -0.2360 | |
| 299 | L | A | 0.0000 | |
| 300 | G | A | 0.0000 | |
| 301 | C | A | 0.0000 | |
| 302 | L | A | 0.3806 | |
| 303 | V | A | 0.0000 | |
| 304 | K | A | -0.9373 | |
| 305 | D | A | -1.8520 | |
| 306 | Y | A | 0.0000 | |
| 307 | F | A | 0.0000 | |
| 308 | P | A | -0.8278 | |
| 309 | E | A | -1.0456 | |
| 310 | P | A | -1.0500 | |
| 311 | V | A | -0.5651 | |
| 312 | T | A | -0.7024 | |
| 313 | V | A | -0.4684 | |
| 314 | S | A | -0.3497 | |
| 315 | W | A | 0.0000 | |
| 316 | N | A | -0.7526 | |
| 317 | S | A | -0.6431 | |
| 318 | G | A | -0.4033 | |
| 319 | A | A | -0.1861 | |
| 320 | L | A | 0.0946 | |
| 321 | T | A | -0.2457 | |
| 322 | S | A | -0.3302 | |
| 323 | G | A | -0.4238 | |
| 324 | V | A | -0.1081 | |
| 325 | H | A | -0.6656 | |
| 326 | T | A | -0.0615 | |
| 327 | F | A | 0.8671 | |
| 328 | P | A | 0.5445 | |
| 329 | A | A | 0.8353 | |
| 330 | V | A | 1.7869 | |
| 331 | L | A | 0.6569 | |
| 332 | Q | A | -0.6877 | |
| 333 | S | A | -0.5130 | |
| 334 | S | A | -0.7562 | |
| 335 | G | A | -0.3331 | |
| 336 | L | A | -0.6869 | |
| 337 | Y | A | 0.0000 | |
| 338 | S | A | 0.0000 | |
| 339 | L | A | 0.0000 | |
| 340 | S | A | 0.5211 | |
| 341 | S | A | 0.0000 | |
| 342 | V | A | 0.2629 | |
| 343 | V | A | 0.0000 | |
| 344 | T | A | -0.2647 | |
| 345 | V | A | 0.0000 | |
| 346 | P | A | -0.4424 | |
| 347 | S | A | -0.3903 | |
| 348 | S | A | -0.5906 | |
| 349 | S | A | 0.0000 | |
| 350 | L | A | -0.8635 | |
| 351 | G | A | -1.4444 | |
| 352 | T | A | -0.9244 | |
| 353 | Q | A | -1.5071 | |
| 354 | T | A | -1.2971 | |
| 355 | Y | A | 0.0000 | |
| 356 | I | A | -1.2680 | |
| 357 | C | A | 0.0000 | |
| 358 | N | A | -1.5714 | |
| 359 | V | A | 0.0000 | |
| 360 | N | A | -1.9280 | |
| 361 | H | A | 0.0000 | |
| 362 | K | A | -2.7420 | |
| 363 | P | A | -1.6698 | |
| 364 | S | A | -1.9307 | |
| 365 | N | A | -2.4610 | |
| 366 | T | A | -2.2566 | |
| 367 | K | A | -2.7407 | |
| 368 | V | A | -1.7739 | |
| 369 | D | A | -2.6359 | |
| 370 | K | A | -2.0693 | |
| 371 | R | A | -2.4301 | |
| 372 | V | A | 0.0000 | |
| 373 | E | A | -2.5253 | |
| 374 | S | A | -1.7422 | |
| 375 | K | A | -1.7680 | |
| 376 | Y | A | -0.1220 | |
| 377 | G | A | -0.5212 | |
| 378 | P | A | -0.4454 | |
| 379 | P | A | -0.1282 | |
| 380 | C | A | 0.4077 | |
| 381 | P | A | 0.0718 | |
| 382 | P | A | 0.0689 | |
| 383 | C | A | 0.5276 | |
| 384 | P | A | -0.3910 | |
| 385 | A | A | -0.4957 | |
| 386 | P | A | -1.4136 | |
| 387 | E | A | -2.2036 | |
| 388 | F | A | -1.3469 | |
| 389 | E | A | -2.1065 | |
| 390 | G | A | -1.5491 | |
| 391 | G | A | -1.0762 | |
| 392 | P | A | 0.0000 | |
| 393 | S | A | 0.0347 | |
| 394 | V | A | 0.0000 | |
| 395 | F | A | 1.4400 | |
| 396 | L | A | 1.0576 | |
| 397 | F | A | 1.2196 | |
| 398 | P | A | -0.0920 | |
| 399 | P | A | 0.0000 | |
| 400 | K | A | -2.0065 | |
| 401 | P | A | -1.3698 | |
| 402 | K | A | -1.0556 | |
| 403 | D | A | -1.1831 | |
| 404 | T | A | 0.0000 | |
| 405 | L | A | 0.0000 | |
| 406 | M | A | 0.4462 | |
| 407 | I | A | 1.3105 | |
| 408 | S | A | 0.1274 | |
| 409 | R | A | -0.8705 | |
| 410 | T | A | -0.3530 | |
| 411 | P | A | 0.0000 | |
| 412 | E | A | -1.1221 | |
| 413 | V | A | 0.0000 | |
| 414 | T | A | 0.0714 | |
| 415 | C | A | 0.0000 | |
| 416 | V | A | 0.0000 | |
| 417 | V | A | 0.0000 | |
| 418 | V | A | -0.7105 | |
| 419 | D | A | -0.8198 | |
| 420 | V | A | 0.0000 | |
| 421 | S | A | -1.9319 | |
| 422 | H | A | -2.3981 | |
| 423 | E | A | -2.8520 | |
| 424 | D | A | -2.4509 | |
| 425 | P | A | -2.4879 | |
| 426 | E | A | -3.0513 | |
| 427 | V | A | 0.0000 | |
| 428 | K | A | -2.3995 | |
| 429 | F | A | -1.4191 | |
| 430 | N | A | -1.0851 | |
| 431 | W | A | 0.0000 | |
| 432 | Y | A | -0.6497 | |
| 433 | V | A | -0.7080 | |
| 434 | D | A | -1.7225 | |
| 435 | G | A | -0.6646 | |
| 436 | V | A | 0.6985 | |
| 437 | E | A | -0.3043 | |
| 438 | V | A | -0.4392 | |
| 439 | H | A | -1.4968 | |
| 440 | N | A | -1.8571 | |
| 441 | A | A | -1.8015 | |
| 442 | K | A | -2.5510 | |
| 443 | T | A | -1.9823 | |
| 444 | K | A | -2.6349 | |
| 445 | P | A | -2.3764 | |
| 446 | R | A | -2.8297 | |
| 447 | E | A | -3.5469 | |
| 448 | E | A | -3.1038 | |
| 449 | Q | A | -1.4438 | |
| 450 | Y | A | 0.3842 | |
| 451 | N | A | -0.6475 | |
| 452 | S | A | -1.0870 | |
| 453 | T | A | 0.0000 | |
| 454 | Y | A | -1.9583 | |
| 455 | R | A | -2.2738 | |
| 456 | V | A | 0.0000 | |
| 457 | V | A | 0.0000 | |
| 458 | S | A | 0.0000 | |
| 459 | V | A | 0.0000 | |
| 460 | L | A | 0.0000 | |
| 461 | T | A | -0.5695 | |
| 462 | V | A | 0.0000 | |
| 463 | L | A | 0.4434 | |
| 464 | H | A | -0.2144 | |
| 465 | Q | A | -1.1352 | |
| 466 | D | A | -1.2237 | |
| 467 | W | A | 0.0000 | |
| 468 | L | A | -1.1397 | |
| 469 | N | A | -2.0964 | |
| 470 | G | A | -2.0745 | |
| 471 | K | A | -2.4392 | |
| 472 | E | A | -2.3543 | |
| 473 | Y | A | 0.0000 | |
| 474 | K | A | -1.4690 | |
| 475 | C | A | 0.0000 | |
| 476 | K | A | -1.5538 | |
| 477 | V | A | 0.0000 | |
| 478 | S | A | -1.6334 | |
| 479 | N | A | 0.0000 | |
| 480 | K | A | -2.5837 | |
| 481 | A | A | -1.5246 | |
| 482 | L | A | 0.0000 | |
| 483 | P | A | -0.6011 | |
| 484 | A | A | -0.5414 | |
| 485 | P | A | -1.0443 | |
| 486 | I | A | -0.5834 | |
| 487 | E | A | -1.8246 | |
| 488 | K | A | -0.9836 | |
| 489 | T | A | -0.7298 | |
| 490 | I | A | -0.2313 | |
| 491 | S | A | -1.3209 | |
| 492 | K | A | -1.2503 | |
| 493 | A | A | -1.3494 | |
| 494 | K | A | -2.4509 | |
| 495 | G | A | -1.9757 | |
| 496 | Q | A | -2.1248 | |
| 497 | P | A | -1.8233 | |
| 498 | R | A | -2.1518 | |
| 499 | E | A | -2.6948 | |
| 500 | P | A | 0.0000 | |
| 501 | Q | A | -1.3974 | |
| 502 | V | A | 0.0000 | |
| 503 | Y | A | 0.4267 | |
| 504 | T | A | 0.4558 | |
| 505 | L | A | 0.9425 | |
| 506 | P | A | 0.0825 | |
| 507 | P | A | -0.5922 | |
| 508 | S | A | -1.3555 | |
| 509 | R | A | -2.4958 | |
| 510 | D | A | -2.5322 | |
| 511 | E | A | -2.3702 | |
| 512 | L | A | -2.0311 | |
| 513 | T | A | -1.9380 | |
| 514 | K | A | -3.0739 | |
| 515 | N | A | -2.7870 | |
| 516 | Q | A | -2.2372 | |
| 517 | V | A | 0.0000 | |
| 518 | S | A | 0.0000 | |
| 519 | L | A | 0.0000 | |
| 520 | W | A | 0.7106 | |
| 521 | C | A | 0.0000 | |
| 522 | L | A | 0.7132 | |
| 523 | V | A | 0.0000 | |
| 524 | K | A | -0.4840 | |
| 525 | G | A | -1.1772 | |
| 526 | F | A | 0.0000 | |
| 527 | Y | A | -0.7345 | |
| 528 | P | A | -0.8415 | |
| 529 | S | A | 0.0826 | |
| 530 | D | A | -0.8982 | |
| 531 | I | A | 0.0000 | |
| 532 | A | A | 0.0000 | |
| 533 | V | A | 0.0000 | |
| 534 | E | A | -1.0158 | |
| 535 | W | A | 0.0000 | |
| 536 | E | A | -1.6893 | |
| 537 | S | A | 0.0000 | |
| 538 | N | A | -1.8355 | |
| 539 | G | A | -1.7648 | |
| 540 | Q | A | -2.1624 | |
| 541 | P | A | -1.8949 | |
| 542 | E | A | -1.9497 | |
| 543 | N | A | -2.4466 | |
| 544 | N | A | -2.2728 | |
| 545 | Y | A | -1.7677 | |
| 546 | K | A | -2.0972 | |
| 547 | T | A | -0.7684 | |
| 548 | T | A | -0.3497 | |
| 549 | P | A | -0.0491 | |
| 550 | P | A | 0.4310 | |
| 551 | M | A | 1.0633 | |
| 552 | L | A | 1.0944 | |
| 553 | D | A | -0.4409 | |
| 554 | S | A | -1.3716 | |
| 555 | D | A | -2.1460 | |
| 556 | G | A | -1.0424 | |
| 557 | S | A | 0.0000 | |
| 558 | F | A | 0.3905 | |
| 559 | F | A | 0.6414 | |
| 560 | L | A | 0.0000 | |
| 561 | Y | A | 0.5063 | |
| 562 | S | A | 0.0000 | |
| 563 | K | A | -0.6464 | |
| 564 | L | A | 0.0000 | |
| 565 | T | A | -1.0879 | |
| 566 | V | A | 0.0000 | |
| 567 | D | A | -1.9913 | |
| 568 | K | A | -2.5491 | |
| 569 | S | A | -1.9691 | |
| 570 | R | A | -1.9550 | |
| 571 | W | A | 0.0000 | |
| 572 | Q | A | -2.2294 | |
| 573 | Q | A | -2.1046 | |
| 574 | G | A | -1.2990 | |
| 575 | N | A | -1.0123 | |
| 576 | V | A | -0.3911 | |
| 577 | F | A | 0.0000 | |
| 578 | S | A | 0.0000 | |
| 579 | C | A | 0.0000 | |
| 580 | S | A | 0.0000 | |
| 581 | V | A | 0.0000 | |
| 582 | M | A | 0.0000 | |
| 583 | H | A | 0.0000 | |
| 584 | E | A | -1.2836 | |
| 585 | A | A | -1.6156 | |
| 586 | L | A | -1.5026 | |
| 587 | H | A | -1.7695 | |
| 588 | N | A | -1.4635 | |
| 589 | H | A | -0.8790 | |
| 590 | Y | A | -0.2116 | |
| 591 | T | A | -0.5848 | |
| 592 | Q | A | -0.8104 | |
| 593 | K | A | -0.8111 | |
| 594 | S | A | -0.6636 | |
| 595 | L | A | 0.0000 | |
| 596 | S | A | -0.4114 | |
| 597 | L | A | -0.3669 | |
| 598 | S | A | -0.6850 | |
| 599 | P | A | -1.0361 | |
| 600 | G | A | -1.1399 | |
| 601 | G | A | -1.2194 | |
| 602 | G | A | -1.2503 | |
| 603 | G | A | -1.2474 | |
| 604 | G | A | -1.2563 | |
| 605 | S | A | -0.9789 | |
| 606 | G | A | -1.0522 | |
| 607 | G | A | -1.1206 | |
| 608 | G | A | -1.0809 | |
| 609 | G | A | -1.0764 | |
| 610 | S | A | -1.0742 | |
| 611 | G | A | -1.1337 | |
| 612 | G | A | -1.1823 | |
| 613 | G | A | -1.3022 | |
| 614 | G | A | -1.3361 | |
| 615 | S | A | -1.5521 | |
| 616 | Q | A | -1.7706 | |
| 617 | V | A | -0.8170 | |
| 618 | Q | A | -1.0573 | |
| 619 | L | A | 0.0000 | |
| 620 | V | A | 1.1133 | |
| 621 | E | A | 0.0000 | |
| 622 | S | A | -0.3627 | |
| 623 | G | A | -0.9830 | |
| 624 | G | A | -0.4094 | |
| 625 | G | A | 0.4928 | |
| 626 | L | A | 1.1450 | |
| 627 | V | A | -0.3605 | |
| 628 | K | A | -1.8300 | |
| 629 | P | A | -2.0270 | |
| 630 | G | A | -1.5394 | |
| 631 | G | A | -1.2768 | |
| 632 | S | A | -1.2550 | |
| 633 | L | A | -1.0636 | |
| 634 | R | A | -2.0343 | |
| 635 | L | A | 0.0000 | |
| 636 | S | A | -0.4630 | |
| 637 | C | A | 0.0000 | |
| 638 | A | A | -0.0355 | |
| 639 | A | A | -0.4316 | |
| 640 | S | A | -0.6927 | |
| 641 | G | A | -1.0972 | |
| 642 | F | A | -0.6492 | |
| 643 | T | A | -0.8076 | |
| 644 | F | A | 0.0000 | |
| 645 | S | A | -1.5445 | |
| 646 | D | A | -1.9512 | |
| 647 | Y | A | -0.8442 | |
| 648 | S | A | -0.4453 | |
| 649 | M | A | 0.0000 | |
| 650 | T | A | 0.0000 | |
| 651 | W | A | 0.0000 | |
| 652 | V | A | 0.0000 | |
| 653 | R | A | 0.0000 | |
| 654 | Q | A | -0.4300 | |
| 655 | A | A | -1.3440 | |
| 656 | P | A | -1.7068 | |
| 657 | G | A | -2.0997 | |
| 658 | K | A | -2.4879 | |
| 659 | G | A | -1.2324 | |
| 660 | L | A | 0.4080 | |
| 661 | E | A | -0.2434 | |
| 662 | W | A | 0.0211 | |
| 663 | V | A | 0.0000 | |
| 664 | S | A | 0.0000 | |
| 665 | Y | A | 0.9358 | |
| 666 | I | A | 0.0000 | |
| 667 | S | A | -0.1911 | |
| 668 | S | A | -1.0207 | |
| 669 | G | A | -1.4459 | |
| 670 | G | A | -0.9408 | |
| 671 | G | A | -0.5657 | |
| 672 | T | A | 0.3343 | |
| 673 | I | A | 1.4615 | |
| 674 | Y | A | 1.5087 | |
| 675 | Y | A | 0.1135 | |
| 676 | A | A | -1.0463 | |
| 677 | D | A | -2.3048 | |
| 678 | S | A | -1.8488 | |
| 679 | V | A | 0.0000 | |
| 680 | K | A | -2.3795 | |
| 681 | G | A | -1.6250 | |
| 682 | R | A | 0.0000 | |
| 683 | F | A | 0.0000 | |
| 684 | T | A | -0.5295 | |
| 685 | I | A | 0.0000 | |
| 686 | S | A | -0.6201 | |
| 687 | R | A | -1.1318 | |
| 688 | D | A | -1.6362 | |
| 689 | N | A | -2.1331 | |
| 690 | A | A | -1.5961 | |
| 691 | K | A | -2.2559 | |
| 692 | N | A | -1.6748 | |
| 693 | S | A | -0.9149 | |
| 694 | L | A | 0.0000 | |
| 695 | Y | A | 0.0000 | |
| 696 | L | A | 0.0000 | |
| 697 | Q | A | -1.1849 | |
| 698 | M | A | 0.0000 | |
| 699 | N | A | -1.2154 | |
| 700 | S | A | -1.2678 | |
| 701 | L | A | 0.0000 | |
| 702 | R | A | -2.6505 | |
| 703 | A | A | -1.9299 | |
| 704 | E | A | -2.3364 | |
| 705 | D | A | 0.0000 | |
| 706 | T | A | -0.6981 | |
| 707 | A | A | 0.0000 | |
| 708 | V | A | 0.0000 | |
| 709 | Y | A | 0.0000 | |
| 710 | Y | A | 0.2511 | |
| 711 | C | A | 0.0000 | |
| 712 | A | A | 0.0000 | |
| 713 | R | A | 0.0000 | |
| 714 | E | A | 0.0000 | |
| 715 | A | A | -0.6510 | |
| 716 | P | A | -0.6436 | |
| 717 | L | A | -0.5277 | |
| 718 | R | A | -1.2938 | |
| 719 | L | A | 0.2949 | |
| 720 | G | A | -0.7751 | |
| 721 | E | A | -1.8414 | |
| 722 | S | A | -1.5310 | |
| 723 | P | A | -1.6022 | |
| 724 | H | A | -1.9803 | |
| 725 | D | A | -2.4961 | |
| 726 | A | A | -1.6006 | |
| 727 | F | A | -0.7442 | |
| 728 | D | A | -0.6956 | |
| 729 | I | A | 0.0088 | |
| 730 | W | A | 0.1605 | |
| 731 | G | A | -0.1700 | |
| 732 | Q | A | -0.8875 | |
| 733 | G | A | -0.2846 | |
| 734 | T | A | 0.0000 | |
| 735 | M | A | 0.3010 | |
| 736 | V | A | 0.0000 | |
| 737 | T | A | -0.0396 | |
| 738 | V | A | 0.0000 | |
| 739 | S | A | -0.7257 | |
| 740 | S | A | -1.0359 | |
| 1 | Q | B | -0.6685 | |
| 2 | L | B | 0.2992 | |
| 3 | L | B | 0.5423 | |
| 4 | F | B | 0.7005 | |
| 5 | N | B | 0.0000 | |
| 6 | K | B | -1.9189 | |
| 7 | T | B | -1.5679 | |
| 8 | K | B | -2.2664 | |
| 9 | S | B | -1.1982 | |
| 10 | V | B | 0.1646 | |
| 11 | E | B | -0.0525 | |
| 12 | F | B | 1.4391 | |
| 13 | T | B | 1.3924 | |
| 14 | F | B | 1.8668 | |
| 15 | C | B | 0.2602 | |
| 16 | N | B | 0.0000 | |
| 17 | D | B | -2.2587 | |
| 18 | T | B | 0.0000 | |
| 19 | V | B | -0.4973 | |
| 20 | V | B | 0.0000 | |
| 21 | I | B | 0.5628 | |
| 22 | P | B | 0.1108 | |
| 23 | C | B | 0.1164 | |
| 24 | F | B | 0.0000 | |
| 25 | V | B | 0.0000 | |
| 26 | T | B | 0.0000 | |
| 27 | N | B | -1.0903 | |
| 28 | M | B | 0.0000 | |
| 29 | E | B | -2.8586 | |
| 30 | A | B | -2.3699 | |
| 31 | Q | B | -2.6462 | |
| 32 | N | B | -2.5003 | |
| 33 | T | B | -1.2036 | |
| 34 | T | B | -1.2897 | |
| 35 | E | B | -2.3221 | |
| 36 | V | B | 0.0000 | |
| 37 | Y | B | 0.2056 | |
| 38 | V | B | 0.0000 | |
| 39 | K | B | -1.7488 | |
| 40 | W | B | -1.9712 | |
| 41 | K | B | -3.3974 | |
| 42 | F | B | -1.9156 | |
| 43 | K | B | -2.7051 | |
| 44 | G | B | -2.7717 | |
| 45 | R | B | -3.6187 | |
| 46 | D | B | -3.6963 | |
| 47 | I | B | 0.0000 | |
| 48 | Y | B | 0.0000 | |
| 49 | T | B | -1.2832 | |
| 50 | F | B | 0.0000 | |
| 51 | D | B | -0.8850 | |
| 52 | G | B | 0.0000 | |
| 53 | A | B | -0.3694 | |
| 54 | L | B | 0.2901 | |
| 55 | N | B | -1.2222 | |
| 56 | K | B | -1.9460 | |
| 57 | S | B | -1.0785 | |
| 58 | T | B | -0.7974 | |
| 59 | V | B | -0.3176 | |
| 60 | P | B | -0.7361 | |
| 61 | T | B | -0.7932 | |
| 62 | D | B | -1.6435 | |
| 63 | F | B | -0.9157 | |
| 64 | S | B | -0.8697 | |
| 65 | S | B | -1.2606 | |
| 66 | A | B | 0.0000 | |
| 67 | K | B | -1.5056 | |
| 68 | I | B | 0.0000 | |
| 69 | E | B | -0.5154 | |
| 70 | V | B | 0.3586 | |
| 71 | S | B | 0.0946 | |
| 72 | Q | B | -0.0485 | |
| 73 | L | B | 0.0000 | |
| 74 | L | B | -0.6647 | |
| 75 | K | B | -0.8768 | |
| 76 | G | B | 0.0000 | |
| 77 | D | B | 0.0000 | |
| 78 | A | B | -0.0373 | |
| 79 | S | B | 0.0000 | |
| 80 | L | B | 0.0000 | |
| 81 | K | B | -0.9984 | |
| 82 | M | B | -1.4789 | |
| 83 | D | B | -2.8540 | |
| 84 | K | B | -2.1004 | |
| 85 | S | B | -1.4024 |
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