| Chain sequence(s) |
A: MNHKVHHHHHHIEGRHMQAKLTKKEFIEWLKTSEGKQFNVDLWYGFQCFDYANAGWKVLFGLLLKGLGAKDIPFANNFDGLATVYQNTPDFLAQPGDMVVFGSNYGAGYGHVAWVIEATLDYIIVYEQNWLGGGWTDRIEQPGWGWEKVTRRQHAYDFPMWFIRPNFKSETAPRSIQSPTQASKKETAKPQPKAVELKIIKDVVKGYDLPKRGGNPKGIVIHNDAGSKGATAEAYRNGLVNAPLSRLEAGIAHSYVSGNTVWQALDESQVGWHTANQLGNKYYYGIEVCQSMGADNATFLKNEQATFQECARLLKKWGLPANRNTIRLHNEFTSTSCPHRSSVLHTGFDPVTRGLLPEDKQLQLKDYFIKQIRVYMDGKIPVATVSNESSASSNTVKPVASAWKRNKYGTYYMEENARFTNGNQPITVRKIGPFLSCPVAYQFQPGGYCDYTEVMLQDGHVWVGYTWEGQRYYLPIRTWNGSAPPNQILGDLWGEISEAAAKEAAAKEAAAKEAAAKEAAAKLAEAKVLANRELDKYGVSDYYKNLINNAKTVEGVKALIDEILAALP
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | No |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[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 A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:01)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:01)
[INFO] Main: Simulation completed successfully. (00:00:05)
|
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 | 0.0159 | |
| 2 | N | A | -1.4886 | |
| 3 | H | A | -1.8372 | |
| 4 | K | A | -1.9222 | |
| 5 | V | A | -0.2976 | |
| 6 | H | A | -1.5672 | |
| 7 | H | A | -2.0843 | |
| 8 | H | A | -2.4191 | |
| 9 | H | A | -2.3625 | |
| 10 | H | A | -2.0248 | |
| 11 | H | A | -1.4935 | |
| 12 | I | A | -0.1719 | |
| 13 | E | A | -2.1102 | |
| 14 | G | A | -2.2101 | |
| 15 | R | A | -2.7334 | |
| 16 | H | A | -2.5476 | |
| 17 | M | A | -1.7154 | |
| 18 | Q | A | -2.2135 | |
| 19 | A | A | 0.0000 | |
| 20 | K | A | -2.4252 | |
| 21 | L | A | -2.0023 | |
| 22 | T | A | 0.0000 | |
| 23 | K | A | -2.6080 | |
| 24 | K | A | -3.1670 | |
| 25 | E | A | -3.0933 | |
| 26 | F | A | 0.0000 | |
| 27 | I | A | -1.7227 | |
| 28 | E | A | -2.4379 | |
| 29 | W | A | -1.4420 | |
| 30 | L | A | 0.0000 | |
| 31 | K | A | -2.1758 | |
| 32 | T | A | -1.5833 | |
| 33 | S | A | 0.0000 | |
| 34 | E | A | -2.8882 | |
| 35 | G | A | -2.5276 | |
| 36 | K | A | -2.5637 | |
| 37 | Q | A | -1.3770 | |
| 38 | F | A | -0.2893 | |
| 39 | N | A | 0.5989 | |
| 40 | V | A | 0.2815 | |
| 41 | D | A | -0.0943 | |
| 42 | L | A | 0.9136 | |
| 43 | W | A | 0.7312 | |
| 44 | Y | A | 0.3946 | |
| 45 | G | A | 0.0000 | |
| 46 | F | A | 0.4836 | |
| 47 | Q | A | 0.2277 | |
| 48 | C | A | 0.0344 | |
| 49 | F | A | 0.1367 | |
| 50 | D | A | 0.0000 | |
| 51 | Y | A | 0.0000 | |
| 52 | A | A | 0.0000 | |
| 53 | N | A | 0.0000 | |
| 54 | A | A | 0.0000 | |
| 55 | G | A | 0.0000 | |
| 56 | W | A | 0.0000 | |
| 57 | K | A | -0.9430 | |
| 58 | V | A | -0.3450 | |
| 59 | L | A | 0.0000 | |
| 60 | F | A | 0.0000 | |
| 61 | G | A | -0.5028 | |
| 62 | L | A | 0.4096 | |
| 63 | L | A | 0.6466 | |
| 64 | L | A | 0.0000 | |
| 65 | K | A | -1.1225 | |
| 66 | G | A | -0.0695 | |
| 67 | L | A | 1.1975 | |
| 68 | G | A | 0.0000 | |
| 69 | A | A | 0.0000 | |
| 70 | K | A | -0.0284 | |
| 71 | D | A | 0.1567 | |
| 72 | I | A | 0.0000 | |
| 73 | P | A | 0.0000 | |
| 74 | F | A | 1.2951 | |
| 75 | A | A | 0.0573 | |
| 76 | N | A | -0.8625 | |
| 77 | N | A | -1.6810 | |
| 78 | F | A | 0.0000 | |
| 79 | D | A | -2.3663 | |
| 80 | G | A | -2.0046 | |
| 81 | L | A | -1.2515 | |
| 82 | A | A | 0.0000 | |
| 83 | T | A | -0.1913 | |
| 84 | V | A | 0.4954 | |
| 85 | Y | A | 0.2870 | |
| 86 | Q | A | -0.2984 | |
| 87 | N | A | 0.0000 | |
| 88 | T | A | -0.2156 | |
| 89 | P | A | -0.4005 | |
| 90 | D | A | -0.8353 | |
| 91 | F | A | 0.3126 | |
| 92 | L | A | 1.0240 | |
| 93 | A | A | 0.0000 | |
| 94 | Q | A | -0.4677 | |
| 95 | P | A | -0.7821 | |
| 96 | G | A | 0.0000 | |
| 97 | D | A | 0.0000 | |
| 98 | M | A | 0.0000 | |
| 99 | V | A | 0.0000 | |
| 100 | V | A | 0.0000 | |
| 101 | F | A | 0.0000 | |
| 102 | G | A | 0.0000 | |
| 103 | S | A | -0.4180 | |
| 104 | N | A | -1.0134 | |
| 105 | Y | A | -0.3289 | |
| 106 | G | A | -0.0826 | |
| 107 | A | A | -0.0978 | |
| 108 | G | A | -0.0679 | |
| 109 | Y | A | 0.9811 | |
| 110 | G | A | 0.0000 | |
| 111 | H | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | A | A | 0.0000 | |
| 114 | W | A | 0.0000 | |
| 115 | V | A | 0.0000 | |
| 116 | I | A | -0.8594 | |
| 117 | E | A | -0.9415 | |
| 118 | A | A | -0.2568 | |
| 119 | T | A | 0.3227 | |
| 120 | L | A | 0.9030 | |
| 121 | D | A | -0.8621 | |
| 122 | Y | A | -0.4075 | |
| 123 | I | A | 0.0000 | |
| 124 | I | A | 0.0000 | |
| 125 | V | A | 0.0000 | |
| 126 | Y | A | 0.0000 | |
| 127 | E | A | 0.0000 | |
| 128 | Q | A | 0.0000 | |
| 129 | N | A | 0.1808 | |
| 130 | W | A | 0.5893 | |
| 131 | L | A | 1.3485 | |
| 132 | G | A | 0.4514 | |
| 133 | G | A | 0.0000 | |
| 134 | G | A | 0.0000 | |
| 135 | W | A | 0.5772 | |
| 136 | T | A | -0.0500 | |
| 137 | D | A | -0.5654 | |
| 138 | R | A | -1.4579 | |
| 139 | I | A | 0.1731 | |
| 140 | E | A | -1.0757 | |
| 141 | Q | A | -0.9222 | |
| 142 | P | A | -0.0269 | |
| 143 | G | A | 0.0000 | |
| 144 | W | A | 1.2234 | |
| 145 | G | A | 0.0000 | |
| 146 | W | A | 1.0294 | |
| 147 | E | A | 0.0000 | |
| 148 | K | A | -1.9369 | |
| 149 | V | A | 0.0000 | |
| 150 | T | A | -1.8049 | |
| 151 | R | A | -2.2593 | |
| 152 | R | A | -1.5489 | |
| 153 | Q | A | -1.6743 | |
| 154 | H | A | -0.9358 | |
| 155 | A | A | -0.4390 | |
| 156 | Y | A | 0.2415 | |
| 157 | D | A | 0.2829 | |
| 158 | F | A | 1.3194 | |
| 159 | P | A | 0.5275 | |
| 160 | M | A | 0.0000 | |
| 161 | W | A | 0.1220 | |
| 162 | F | A | 0.0000 | |
| 163 | I | A | 0.0000 | |
| 164 | R | A | -0.2778 | |
| 165 | P | A | 0.0000 | |
| 166 | N | A | -1.6059 | |
| 167 | F | A | -2.0002 | |
| 168 | K | A | -2.7463 | |
| 169 | S | A | -2.0374 | |
| 170 | E | A | -2.6406 | |
| 171 | T | A | -1.4530 | |
| 172 | A | A | -1.0294 | |
| 173 | P | A | -1.1734 | |
| 174 | R | A | -1.7216 | |
| 175 | S | A | -0.4651 | |
| 176 | I | A | 0.7941 | |
| 177 | Q | A | -0.7085 | |
| 178 | S | A | -0.5210 | |
| 179 | P | A | -0.9492 | |
| 180 | T | A | -1.0035 | |
| 181 | Q | A | -1.5028 | |
| 182 | A | A | -1.3083 | |
| 183 | S | A | -2.0098 | |
| 184 | K | A | -3.2433 | |
| 185 | K | A | -3.4646 | |
| 186 | E | A | -3.4070 | |
| 187 | T | A | -2.1134 | |
| 188 | A | A | -1.7647 | |
| 189 | K | A | -2.4174 | |
| 190 | P | A | -1.9887 | |
| 191 | Q | A | -2.4432 | |
| 192 | P | A | -1.7855 | |
| 193 | K | A | -2.1580 | |
| 194 | A | A | -0.7831 | |
| 195 | V | A | 0.1451 | |
| 196 | E | A | -1.5567 | |
| 197 | L | A | -0.9709 | |
| 198 | K | A | -1.5313 | |
| 199 | I | A | -0.4080 | |
| 200 | I | A | -0.6371 | |
| 201 | K | A | -1.5731 | |
| 202 | D | A | -0.9659 | |
| 203 | V | A | -0.8289 | |
| 204 | V | A | 0.0000 | |
| 205 | K | A | -2.2926 | |
| 206 | G | A | -1.5832 | |
| 207 | Y | A | -1.1447 | |
| 208 | D | A | -2.0714 | |
| 209 | L | A | 0.0000 | |
| 210 | P | A | -1.5205 | |
| 211 | K | A | -2.4265 | |
| 212 | R | A | 0.0000 | |
| 213 | G | A | -1.5364 | |
| 214 | G | A | -1.8926 | |
| 215 | N | A | -2.2257 | |
| 216 | P | A | 0.0000 | |
| 217 | K | A | -2.1305 | |
| 218 | G | A | 0.0000 | |
| 219 | I | A | 0.0000 | |
| 220 | V | A | 0.0000 | |
| 221 | I | A | 0.0000 | |
| 222 | H | A | 0.0000 | |
| 223 | N | A | 0.0000 | |
| 224 | D | A | -0.1815 | |
| 225 | A | A | 0.1162 | |
| 226 | G | A | 0.0000 | |
| 227 | S | A | -0.9390 | |
| 228 | K | A | -2.0397 | |
| 229 | G | A | -1.4719 | |
| 230 | A | A | -0.9579 | |
| 231 | T | A | -1.0776 | |
| 232 | A | A | 0.0000 | |
| 233 | E | A | -1.5284 | |
| 234 | A | A | -1.1972 | |
| 235 | Y | A | -0.9756 | |
| 236 | R | A | -1.8354 | |
| 237 | N | A | -2.1666 | |
| 238 | G | A | -1.6691 | |
| 239 | L | A | 0.0000 | |
| 240 | V | A | 0.0000 | |
| 241 | N | A | -2.2422 | |
| 242 | A | A | 0.0000 | |
| 243 | P | A | -1.1750 | |
| 244 | L | A | -0.9687 | |
| 245 | S | A | -1.0960 | |
| 246 | R | A | -1.8378 | |
| 247 | L | A | 0.0000 | |
| 248 | E | A | -2.0085 | |
| 249 | A | A | -1.1348 | |
| 250 | G | A | -0.8407 | |
| 251 | I | A | 0.0000 | |
| 252 | A | A | 0.0000 | |
| 253 | H | A | 0.0000 | |
| 254 | S | A | 0.0000 | |
| 255 | Y | A | 0.0000 | |
| 256 | V | A | 0.0000 | |
| 257 | S | A | 0.0000 | |
| 258 | G | A | -1.1703 | |
| 259 | N | A | -1.4575 | |
| 260 | T | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | W | A | 0.0000 | |
| 263 | Q | A | -0.5678 | |
| 264 | A | A | 0.0000 | |
| 265 | L | A | 0.0000 | |
| 266 | D | A | -1.0815 | |
| 267 | E | A | -1.0458 | |
| 268 | S | A | -1.4763 | |
| 269 | Q | A | 0.0000 | |
| 270 | V | A | -0.8562 | |
| 271 | G | A | 0.0000 | |
| 272 | W | A | -0.4737 | |
| 273 | H | A | 0.0000 | |
| 274 | T | A | 0.0000 | |
| 275 | A | A | -0.1824 | |
| 276 | N | A | -0.5869 | |
| 277 | Q | A | -0.7293 | |
| 278 | L | A | 0.7662 | |
| 279 | G | A | 0.0000 | |
| 280 | N | A | -0.1983 | |
| 281 | K | A | -0.9161 | |
| 282 | Y | A | -0.4568 | |
| 283 | Y | A | -0.3674 | |
| 284 | Y | A | 0.0000 | |
| 285 | G | A | 0.0000 | |
| 286 | I | A | 0.0000 | |
| 287 | E | A | -0.2832 | |
| 288 | V | A | 0.0000 | |
| 289 | C | A | 0.0000 | |
| 290 | Q | A | 0.0000 | |
| 291 | S | A | 0.0000 | |
| 292 | M | A | 0.2616 | |
| 293 | G | A | -0.9322 | |
| 294 | A | A | 0.0000 | |
| 295 | D | A | -1.6019 | |
| 296 | N | A | -1.2498 | |
| 297 | A | A | -0.8034 | |
| 298 | T | A | -1.2537 | |
| 299 | F | A | 0.0000 | |
| 300 | L | A | -0.7553 | |
| 301 | K | A | -1.9265 | |
| 302 | N | A | 0.0000 | |
| 303 | E | A | 0.0000 | |
| 304 | Q | A | -0.3162 | |
| 305 | A | A | 0.0000 | |
| 306 | T | A | 0.0000 | |
| 307 | F | A | 0.0000 | |
| 308 | Q | A | -0.5889 | |
| 309 | E | A | 0.0000 | |
| 310 | C | A | 0.0000 | |
| 311 | A | A | 0.0000 | |
| 312 | R | A | -1.7443 | |
| 313 | L | A | 0.0000 | |
| 314 | L | A | 0.0000 | |
| 315 | K | A | -2.8202 | |
| 316 | K | A | -2.9190 | |
| 317 | W | A | 0.0000 | |
| 318 | G | A | -1.6146 | |
| 319 | L | A | -1.1289 | |
| 320 | P | A | -1.0209 | |
| 321 | A | A | 0.0000 | |
| 322 | N | A | -1.6279 | |
| 323 | R | A | -1.3975 | |
| 324 | N | A | -1.9138 | |
| 325 | T | A | 0.0000 | |
| 326 | I | A | 0.0000 | |
| 327 | R | A | -0.7777 | |
| 328 | L | A | 0.0000 | |
| 329 | H | A | -0.3592 | |
| 330 | N | A | 0.0000 | |
| 331 | E | A | -0.8303 | |
| 332 | F | A | -0.1459 | |
| 333 | T | A | -0.1264 | |
| 334 | S | A | -0.0354 | |
| 335 | T | A | 0.3052 | |
| 336 | S | A | 0.3760 | |
| 337 | C | A | 0.1978 | |
| 338 | P | A | 0.0000 | |
| 339 | H | A | 0.4034 | |
| 340 | R | A | 0.0914 | |
| 341 | S | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | V | A | 0.0443 | |
| 344 | L | A | 0.0000 | |
| 345 | H | A | 0.0000 | |
| 346 | T | A | 0.0000 | |
| 347 | G | A | -1.0770 | |
| 348 | F | A | 0.0000 | |
| 349 | D | A | -0.2271 | |
| 350 | P | A | 0.0000 | |
| 351 | V | A | 1.2135 | |
| 352 | T | A | -0.1605 | |
| 353 | R | A | -1.3915 | |
| 354 | G | A | -0.2324 | |
| 355 | L | A | 0.6312 | |
| 356 | L | A | 0.0000 | |
| 357 | P | A | -1.5462 | |
| 358 | E | A | -2.7237 | |
| 359 | D | A | -2.8413 | |
| 360 | K | A | -1.8724 | |
| 361 | Q | A | -1.5307 | |
| 362 | L | A | -1.3761 | |
| 363 | Q | A | -1.3576 | |
| 364 | L | A | 0.0000 | |
| 365 | K | A | 0.0000 | |
| 366 | D | A | -1.3383 | |
| 367 | Y | A | -0.7553 | |
| 368 | F | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | K | A | -2.2239 | |
| 371 | Q | A | 0.0000 | |
| 372 | I | A | 0.0000 | |
| 373 | R | A | -2.5614 | |
| 374 | V | A | -1.5274 | |
| 375 | Y | A | -1.6079 | |
| 376 | M | A | -2.1936 | |
| 377 | D | A | -2.5654 | |
| 378 | G | A | -2.1881 | |
| 379 | K | A | -2.3766 | |
| 380 | I | A | -0.3169 | |
| 381 | P | A | 0.3925 | |
| 382 | V | A | 1.6747 | |
| 383 | A | A | 0.7476 | |
| 384 | T | A | 0.3615 | |
| 385 | V | A | -0.2957 | |
| 386 | S | A | -1.1777 | |
| 387 | N | A | -2.1672 | |
| 388 | E | A | -2.4303 | |
| 389 | S | A | 0.0000 | |
| 390 | S | A | -1.1742 | |
| 391 | A | A | -0.9605 | |
| 392 | S | A | -1.2042 | |
| 393 | S | A | 0.0000 | |
| 394 | N | A | -0.6311 | |
| 395 | T | A | 0.0000 | |
| 396 | V | A | 0.4789 | |
| 397 | K | A | -0.3412 | |
| 398 | P | A | -0.0828 | |
| 399 | V | A | 0.6667 | |
| 400 | A | A | -0.1367 | |
| 401 | S | A | -0.1264 | |
| 402 | A | A | -0.3853 | |
| 403 | W | A | -1.1067 | |
| 404 | K | A | -2.7202 | |
| 405 | R | A | -2.9075 | |
| 406 | N | A | -2.1525 | |
| 407 | K | A | -1.7413 | |
| 408 | Y | A | -0.0232 | |
| 409 | G | A | -0.8748 | |
| 410 | T | A | 0.0000 | |
| 411 | Y | A | -1.0797 | |
| 412 | Y | A | -1.1161 | |
| 413 | M | A | 0.0000 | |
| 414 | E | A | -2.3528 | |
| 415 | E | A | 0.0000 | |
| 416 | N | A | -2.4550 | |
| 417 | A | A | 0.0000 | |
| 418 | R | A | -1.2633 | |
| 419 | F | A | 0.0000 | |
| 420 | T | A | -0.6476 | |
| 421 | N | A | 0.0000 | |
| 422 | G | A | -1.6473 | |
| 423 | N | A | -2.2896 | |
| 424 | Q | A | -2.3410 | |
| 425 | P | A | -1.8002 | |
| 426 | I | A | 0.0000 | |
| 427 | T | A | 0.0577 | |
| 428 | V | A | 0.0000 | |
| 429 | R | A | 0.7488 | |
| 430 | K | A | 0.5846 | |
| 431 | I | A | 1.7804 | |
| 432 | G | A | 0.0000 | |
| 433 | P | A | 0.0000 | |
| 434 | F | A | 0.6632 | |
| 435 | L | A | 1.0007 | |
| 436 | S | A | 0.4056 | |
| 437 | C | A | 0.9905 | |
| 438 | P | A | 0.9747 | |
| 439 | V | A | 1.6496 | |
| 440 | A | A | 0.8219 | |
| 441 | Y | A | 0.2358 | |
| 442 | Q | A | -0.8689 | |
| 443 | F | A | 0.0000 | |
| 444 | Q | A | -1.9703 | |
| 445 | P | A | -1.8662 | |
| 446 | G | A | -1.3397 | |
| 447 | G | A | -0.3668 | |
| 448 | Y | A | 0.4643 | |
| 449 | C | A | 0.0000 | |
| 450 | D | A | -1.1236 | |
| 451 | Y | A | 0.0000 | |
| 452 | T | A | -1.4847 | |
| 453 | E | A | -1.3900 | |
| 454 | V | A | 0.0000 | |
| 455 | M | A | 0.0000 | |
| 456 | L | A | 0.0000 | |
| 457 | Q | A | -0.3023 | |
| 458 | D | A | -0.7965 | |
| 459 | G | A | -0.9066 | |
| 460 | H | A | -0.5554 | |
| 461 | V | A | 0.0000 | |
| 462 | W | A | 0.0000 | |
| 463 | V | A | 0.0000 | |
| 464 | G | A | 0.0000 | |
| 465 | Y | A | 0.0000 | |
| 466 | T | A | -0.5095 | |
| 467 | W | A | -0.2545 | |
| 468 | E | A | -1.7467 | |
| 469 | G | A | -1.3701 | |
| 470 | Q | A | -1.1010 | |
| 471 | R | A | -0.5332 | |
| 472 | Y | A | 0.3478 | |
| 473 | Y | A | 0.5163 | |
| 474 | L | A | 0.0000 | |
| 475 | P | A | 0.0000 | |
| 476 | I | A | 0.0000 | |
| 477 | R | A | 0.0000 | |
| 478 | T | A | -0.5260 | |
| 479 | W | A | -0.5582 | |
| 480 | N | A | -1.0976 | |
| 481 | G | A | -1.0899 | |
| 482 | S | A | -0.6581 | |
| 483 | A | A | -0.6858 | |
| 484 | P | A | -0.6910 | |
| 485 | P | A | -0.5389 | |
| 486 | N | A | -1.2077 | |
| 487 | Q | A | -0.2027 | |
| 488 | I | A | 1.1455 | |
| 489 | L | A | 0.2585 | |
| 490 | G | A | -0.8018 | |
| 491 | D | A | -1.8109 | |
| 492 | L | A | -0.8470 | |
| 493 | W | A | -0.7842 | |
| 494 | G | A | -1.2968 | |
| 495 | E | A | -1.6491 | |
| 496 | I | A | -1.0109 | |
| 497 | S | A | -1.7119 | |
| 498 | E | A | -2.0081 | |
| 499 | A | A | -1.5109 | |
| 500 | A | A | -1.5191 | |
| 501 | A | A | -2.3774 | |
| 502 | K | A | -3.4843 | |
| 503 | E | A | -3.3727 | |
| 504 | A | A | -2.6605 | |
| 505 | A | A | -2.4765 | |
| 506 | A | A | -2.5359 | |
| 507 | K | A | -3.6204 | |
| 508 | E | A | -3.6694 | |
| 509 | A | A | -2.5238 | |
| 510 | A | A | -2.1903 | |
| 511 | A | A | -2.5184 | |
| 512 | K | A | -3.6073 | |
| 513 | E | A | -3.6587 | |
| 514 | A | A | -2.5236 | |
| 515 | A | A | -2.1898 | |
| 516 | A | A | -2.5140 | |
| 517 | K | A | -3.3872 | |
| 518 | E | A | -3.3542 | |
| 519 | A | A | -2.1062 | |
| 520 | A | A | -1.8964 | |
| 521 | A | A | -2.2016 | |
| 522 | K | A | -2.6358 | |
| 523 | L | A | -1.7848 | |
| 524 | A | A | -1.1801 | |
| 525 | E | A | -1.4297 | |
| 526 | A | A | -1.1338 | |
| 527 | K | A | -1.0536 | |
| 528 | V | A | 0.4693 | |
| 529 | L | A | 0.5282 | |
| 530 | A | A | 0.0000 | |
| 531 | N | A | -1.7023 | |
| 532 | R | A | -2.1888 | |
| 533 | E | A | -1.6785 | |
| 534 | L | A | 0.0000 | |
| 535 | D | A | -3.3027 | |
| 536 | K | A | -2.6350 | |
| 537 | Y | A | -0.5009 | |
| 538 | G | A | -1.2653 | |
| 539 | V | A | 0.0000 | |
| 540 | S | A | -0.8838 | |
| 541 | D | A | -1.7035 | |
| 542 | Y | A | 0.2061 | |
| 543 | Y | A | 0.0849 | |
| 544 | K | A | -1.4677 | |
| 545 | N | A | -1.7431 | |
| 546 | L | A | -0.5202 | |
| 547 | I | A | 0.0000 | |
| 548 | N | A | -1.8344 | |
| 549 | N | A | -2.3327 | |
| 550 | A | A | 0.0000 | |
| 551 | K | A | -2.3660 | |
| 552 | T | A | -1.8744 | |
| 553 | V | A | -1.8477 | |
| 554 | E | A | -2.4512 | |
| 555 | G | A | -1.9718 | |
| 556 | V | A | 0.0000 | |
| 557 | K | A | -2.7097 | |
| 558 | A | A | -2.1130 | |
| 559 | L | A | -1.2630 | |
| 560 | I | A | -1.5148 | |
| 561 | D | A | -2.7223 | |
| 562 | E | A | -2.4782 | |
| 563 | I | A | 0.0000 | |
| 564 | L | A | -0.2996 | |
| 565 | A | A | -0.6230 | |
| 566 | A | A | -0.2726 | |
| 567 | L | A | 0.5418 | |
| 568 | P | A | 0.0686 |
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