| Chain sequence(s) |
A: GSKLLDEAIQAVKVQSFQMKRCLDKNKLMDALKHASNMLGELRTSMLSPKSYYELYMAISDELHYLEVYLTDEFAKGRKVADLYELVQYAGNIIPRLYLLITVGVVYVKSFPQSRKDILKDLVEMCRGVQHPLRGLFLRNYLLQCTRNILPDEGEPTDEETTGDISDSMDFVLLNFAEMNKLWVRMQHQGHSRDREKRERERQELRILVGTNLVRLSQLEGVNVERYKQIVLTGILEQVVNCRDALAQEYLMECIIQVFPDEFHLQTLNPFLRACAELHQNVNVKNIIIALIDRLALFAHREDGPGIPADIKLFDIFSQQVATVIQSRQDMPSEDVVSLQVSLINLAMKCYPDRVDYVDKVLETTVEIFNKLNLEHIATSSAVSKELTRLLKIPVDTYNNILTVLKLKHFHPLFEYFDYESRKSMSCYVLSNVLDYNTEIVSQDQVDSIMNLVSTLIQ
C: TVADTRRLITKPQNLNDAYGPPSNFLEIDVSNPQTVGVGRGRFTTYEIRVKTNLPIFKLKESTVRRRYSDFEWLRSELERESKVVVPPLPGKAFLRQLPFRGDDGIFDDNFIEERKQGLEQFINKVAGHPLAQNERCLHMFLQDEIIDKSYTPSK B: FGPICEIDIVLNDGETRKMAEMKTEDGKVEKHYLFYDGESVSGKVNLAFKQPGKRLEHQGIRIEFVGQIELFNDKSNTHEFVNLVKELALPGELTQSRSYDFEFMQVEKPYESYIGANVRLRYFLKVTIVRRLTDLVKEYDLIVHQLATYPDVNNSIKMEVGIEDCLHIEFEYNKSKYHLKDVIVGKIYFLLVRIKIQHMELQLIKKEITGIGPSTTTETETIAKYEIMDGAPVKGESIPIRLFLAGYDPTPTMRDVNKKFSVRYFLNLVLVDEEDRRYFKQQEIILWRKAPESAEQPEMGLVPRG input PDB |
| Selected Chain(s) | A,C,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | LR445A,IA468A,VR79A,VR464A,LR467A,MR461A,LR441A,MN57A,IR218A,IR451A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 3.59821 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] FoldX: Building mutant model (00:11:17)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:17:57)
[INFO] Main: Simulation completed successfully. (00:18:12)
|
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 |
|---|---|---|---|---|
| 12 | G | A | -0.9015 | |
| 13 | S | A | -1.5165 | |
| 14 | K | A | -2.5119 | |
| 15 | L | A | -1.3804 | |
| 16 | L | A | -2.0424 | |
| 17 | D | A | -3.1708 | |
| 18 | E | A | -3.2759 | |
| 19 | A | A | 0.0000 | |
| 20 | I | A | -1.7359 | |
| 21 | Q | A | -2.1695 | |
| 22 | A | A | -1.3192 | |
| 23 | V | A | 0.0000 | |
| 24 | K | A | -1.0613 | |
| 25 | V | A | 0.5774 | |
| 26 | Q | A | -0.6603 | |
| 27 | S | A | 0.0000 | |
| 28 | F | A | 0.5241 | |
| 29 | Q | A | -0.9387 | |
| 30 | M | A | 0.0000 | |
| 31 | K | A | -1.7021 | |
| 32 | R | A | -2.7603 | |
| 33 | C | A | 0.0000 | |
| 34 | L | A | 0.0000 | |
| 35 | D | A | -3.7030 | |
| 36 | K | A | -3.7516 | |
| 37 | N | A | -3.1555 | |
| 38 | K | A | -2.7875 | |
| 39 | L | A | 0.0000 | |
| 40 | M | A | -0.7001 | |
| 41 | D | A | -2.0851 | |
| 42 | A | A | 0.0000 | |
| 43 | L | A | 0.0000 | |
| 44 | K | A | -2.4238 | |
| 45 | H | A | -1.6186 | |
| 46 | A | A | 0.0000 | |
| 47 | S | A | -1.7077 | |
| 48 | N | A | -2.0275 | |
| 49 | M | A | 0.0000 | |
| 50 | L | A | 0.0000 | |
| 51 | G | A | -1.2147 | |
| 52 | E | A | -1.1196 | |
| 53 | L | A | 0.0000 | |
| 54 | R | A | -0.9279 | |
| 55 | T | A | -0.7482 | |
| 56 | S | A | -1.0140 | |
| 57 | N | A | -1.2621 | mutated: MN57A |
| 58 | L | A | 0.0000 | |
| 59 | S | A | -1.1368 | |
| 60 | P | A | 0.0000 | |
| 61 | K | A | -2.1249 | |
| 62 | S | A | -1.3505 | |
| 63 | Y | A | 0.0000 | |
| 64 | Y | A | -0.6989 | |
| 65 | E | A | -1.2294 | |
| 66 | L | A | 0.0000 | |
| 67 | Y | A | 0.0000 | |
| 68 | M | A | -0.3293 | |
| 69 | A | A | -0.6987 | |
| 70 | I | A | 0.0000 | |
| 71 | S | A | -0.9125 | |
| 72 | D | A | -1.8002 | |
| 73 | E | A | 0.0000 | |
| 74 | L | A | 0.0000 | |
| 75 | H | A | -1.4858 | |
| 76 | Y | A | -0.8139 | |
| 77 | L | A | 0.0000 | |
| 78 | E | A | -1.5323 | |
| 79 | R | A | -2.3256 | mutated: VR79A |
| 80 | Y | A | -1.6051 | |
| 81 | L | A | 0.0000 | |
| 82 | T | A | -2.1120 | |
| 83 | D | A | -3.1059 | |
| 84 | E | A | 0.0000 | |
| 85 | F | A | 0.0000 | |
| 86 | A | A | -2.2801 | |
| 87 | K | A | -3.0808 | |
| 88 | G | A | -2.6157 | |
| 89 | R | A | -3.1158 | |
| 90 | K | A | -2.4124 | |
| 91 | V | A | -0.8341 | |
| 92 | A | A | -0.9257 | |
| 93 | D | A | -1.7171 | |
| 94 | L | A | 0.0000 | |
| 95 | Y | A | 0.0000 | |
| 96 | E | A | -0.7862 | |
| 97 | L | A | -0.0740 | |
| 98 | V | A | 0.0000 | |
| 99 | Q | A | 0.0000 | |
| 100 | Y | A | 0.2458 | |
| 101 | A | A | -0.5407 | |
| 102 | G | A | -0.9663 | |
| 103 | N | A | -1.2853 | |
| 104 | I | A | 0.0000 | |
| 105 | I | A | 0.0000 | |
| 106 | P | A | 0.0000 | |
| 107 | R | A | 0.0000 | |
| 108 | L | A | 0.0000 | |
| 109 | Y | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | L | A | 0.0000 | |
| 112 | I | A | 0.0000 | |
| 113 | T | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | V | A | 0.0000 | |
| 117 | V | A | 0.0000 | |
| 118 | Y | A | 0.0000 | |
| 119 | V | A | 0.0000 | |
| 120 | K | A | -1.4508 | |
| 121 | S | A | -1.0438 | |
| 122 | F | A | -0.5769 | |
| 123 | P | A | -1.7818 | |
| 124 | Q | A | -2.3547 | |
| 125 | S | A | -1.5138 | |
| 126 | R | A | 0.0000 | |
| 127 | K | A | -2.8156 | |
| 128 | D | A | -3.0840 | |
| 129 | I | A | 0.0000 | |
| 130 | L | A | 0.0000 | |
| 131 | K | A | -2.3094 | |
| 132 | D | A | 0.0000 | |
| 133 | L | A | 0.0000 | |
| 134 | V | A | 0.0000 | |
| 135 | E | A | -0.5589 | |
| 136 | M | A | 0.0000 | |
| 137 | C | A | 0.0000 | |
| 138 | R | A | -0.3181 | |
| 139 | G | A | 0.0000 | |
| 140 | V | A | 0.0000 | |
| 141 | Q | A | 0.0000 | |
| 142 | H | A | -0.3723 | |
| 143 | P | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | R | A | 0.0000 | |
| 146 | G | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | F | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | R | A | 0.0000 | |
| 151 | N | A | 0.0000 | |
| 152 | Y | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | Q | A | -1.2656 | |
| 156 | C | A | -0.9798 | |
| 157 | T | A | 0.0000 | |
| 158 | R | A | -2.6647 | |
| 159 | N | A | -2.2935 | |
| 160 | I | A | -1.2375 | |
| 161 | L | A | 0.0000 | |
| 162 | P | A | 0.0000 | |
| 163 | D | A | -2.8877 | |
| 164 | E | A | -3.2962 | |
| 165 | G | A | -2.2625 | |
| 166 | E | A | -2.2454 | |
| 167 | P | A | -1.7714 | |
| 168 | T | A | -2.0733 | |
| 169 | D | A | -3.5651 | |
| 170 | E | A | -3.7491 | |
| 171 | E | A | -3.5351 | |
| 172 | T | A | -2.7518 | |
| 173 | T | A | -2.3602 | |
| 174 | G | A | -2.1552 | |
| 175 | D | A | -2.6808 | |
| 176 | I | A | 0.0000 | |
| 177 | S | A | -1.5165 | |
| 178 | D | A | -2.4202 | |
| 179 | S | A | 0.0000 | |
| 180 | M | A | 0.0000 | |
| 181 | D | A | -1.9198 | |
| 182 | F | A | 0.0000 | |
| 183 | V | A | 0.0000 | |
| 184 | L | A | -0.3097 | |
| 185 | L | A | -0.3203 | |
| 186 | N | A | 0.0000 | |
| 187 | F | A | 0.0000 | |
| 188 | A | A | -0.0679 | |
| 189 | E | A | 0.0000 | |
| 190 | M | A | 0.0000 | |
| 191 | N | A | 0.0000 | |
| 192 | K | A | 0.0000 | |
| 193 | L | A | 0.0000 | |
| 194 | W | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | R | A | 0.0000 | |
| 197 | M | A | -0.6741 | |
| 198 | Q | A | -1.6462 | |
| 199 | H | A | -1.2414 | |
| 200 | Q | A | -1.3745 | |
| 201 | G | A | -1.6702 | |
| 202 | H | A | -1.8859 | |
| 203 | S | A | -2.5905 | |
| 204 | R | A | -3.7972 | |
| 205 | D | A | -4.9660 | |
| 206 | R | A | -5.4250 | |
| 207 | E | A | -5.2297 | |
| 208 | K | A | -5.1712 | |
| 209 | R | A | -4.6104 | |
| 210 | E | A | -4.3490 | |
| 211 | R | A | -4.7074 | |
| 212 | E | A | -3.7339 | |
| 213 | R | A | 0.0000 | |
| 214 | Q | A | -3.2742 | |
| 215 | E | A | -3.2931 | |
| 216 | L | A | 0.0000 | |
| 217 | R | A | -2.6221 | |
| 218 | R | A | -2.6449 | mutated: IR218A |
| 219 | L | A | 0.0000 | |
| 220 | V | A | 0.0000 | |
| 221 | G | A | 0.0000 | |
| 222 | T | A | -0.4441 | |
| 223 | N | A | 0.0000 | |
| 224 | L | A | 0.0000 | |
| 225 | V | A | 0.1020 | |
| 226 | R | A | 0.0000 | |
| 227 | L | A | 0.0000 | |
| 228 | S | A | -0.7931 | |
| 229 | Q | A | -1.7657 | |
| 230 | L | A | 0.0000 | |
| 231 | E | A | -3.0605 | |
| 232 | G | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | N | A | -1.9947 | |
| 235 | V | A | -1.7758 | |
| 236 | E | A | -2.7303 | |
| 237 | R | A | -1.9508 | |
| 238 | Y | A | 0.0000 | |
| 239 | K | A | -2.2497 | |
| 240 | Q | A | -1.8768 | |
| 241 | I | A | -0.6902 | |
| 242 | V | A | 0.0000 | |
| 243 | L | A | 0.0000 | |
| 244 | T | A | -0.8444 | |
| 245 | G | A | -0.8363 | |
| 246 | I | A | 0.0000 | |
| 247 | L | A | -0.6998 | |
| 248 | E | A | -1.6523 | |
| 249 | Q | A | -1.1199 | |
| 250 | V | A | 0.0000 | |
| 251 | V | A | -1.3798 | |
| 252 | N | A | -1.7393 | |
| 253 | C | A | 0.0000 | |
| 254 | R | A | -2.5649 | |
| 255 | D | A | -1.5278 | |
| 256 | A | A | -1.2839 | |
| 257 | L | A | -0.9112 | |
| 258 | A | A | 0.0000 | |
| 259 | Q | A | 0.0000 | |
| 260 | E | A | -1.2624 | |
| 261 | Y | A | -0.9723 | |
| 262 | L | A | 0.0000 | |
| 263 | M | A | 0.0000 | |
| 264 | E | A | -1.5724 | |
| 265 | C | A | -0.9487 | |
| 266 | I | A | 0.0000 | |
| 267 | I | A | 0.0000 | |
| 268 | Q | A | -1.4076 | |
| 269 | V | A | -0.3937 | |
| 270 | F | A | 0.0000 | |
| 271 | P | A | -0.6554 | |
| 272 | D | A | 0.0000 | |
| 273 | E | A | -1.3596 | |
| 274 | F | A | -1.1162 | |
| 275 | H | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | Q | A | -1.4320 | |
| 278 | T | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | N | A | -1.7918 | |
| 281 | P | A | -1.4141 | |
| 282 | F | A | 0.0000 | |
| 283 | L | A | 0.0000 | |
| 284 | R | A | -2.5939 | |
| 285 | A | A | 0.0000 | |
| 286 | C | A | 0.0000 | |
| 287 | A | A | -1.8219 | |
| 288 | E | A | -2.6802 | |
| 289 | L | A | 0.0000 | |
| 290 | H | A | -2.3525 | |
| 291 | Q | A | -2.9385 | |
| 292 | N | A | -2.4122 | |
| 293 | V | A | 0.0000 | |
| 294 | N | A | -1.4830 | |
| 295 | V | A | 0.0000 | |
| 296 | K | A | -0.6067 | |
| 297 | N | A | -1.1389 | |
| 298 | I | A | 0.0000 | |
| 299 | I | A | 0.0000 | |
| 300 | I | A | -0.3966 | |
| 301 | A | A | -1.1648 | |
| 302 | L | A | 0.0000 | |
| 303 | I | A | 0.0000 | |
| 304 | D | A | -1.5240 | |
| 305 | R | A | -1.3933 | |
| 306 | L | A | 0.0000 | |
| 307 | A | A | 0.0000 | |
| 308 | L | A | 0.0755 | |
| 309 | F | A | -0.9885 | |
| 310 | A | A | -1.0303 | |
| 311 | H | A | -2.1603 | |
| 312 | R | A | -3.2984 | |
| 313 | E | A | -3.9993 | |
| 314 | D | A | -3.4436 | |
| 315 | G | A | -2.5191 | |
| 316 | P | A | -1.5002 | |
| 317 | G | A | -1.3989 | |
| 318 | I | A | -0.4279 | |
| 319 | P | A | -0.7177 | |
| 320 | A | A | -1.0746 | |
| 321 | D | A | -2.0801 | |
| 322 | I | A | -1.5659 | |
| 323 | K | A | -2.3633 | |
| 324 | L | A | 0.0000 | |
| 325 | F | A | 0.0000 | |
| 326 | D | A | -2.1443 | |
| 327 | I | A | -1.4602 | |
| 328 | F | A | 0.0000 | |
| 329 | S | A | -1.1719 | |
| 330 | Q | A | -1.7027 | |
| 331 | Q | A | -1.4896 | |
| 332 | V | A | 0.0000 | |
| 333 | A | A | -0.6049 | |
| 334 | T | A | -1.0189 | |
| 335 | V | A | 0.0000 | |
| 336 | I | A | -0.7311 | |
| 337 | Q | A | -1.5338 | |
| 338 | S | A | -1.5660 | |
| 339 | R | A | -2.2209 | |
| 340 | Q | A | -2.6543 | |
| 341 | D | A | -2.7699 | |
| 342 | M | A | -1.6882 | |
| 343 | P | A | -0.9247 | |
| 344 | S | A | -0.5296 | |
| 345 | E | A | -0.9568 | |
| 346 | D | A | -0.6878 | |
| 347 | V | A | -0.0934 | |
| 348 | V | A | 0.0000 | |
| 349 | S | A | -0.6219 | |
| 350 | L | A | 0.0000 | |
| 351 | Q | A | 0.0000 | |
| 352 | V | A | 0.0000 | |
| 353 | S | A | 0.0000 | |
| 354 | L | A | 0.0000 | |
| 355 | I | A | 0.0000 | |
| 356 | N | A | -0.4981 | |
| 357 | L | A | 0.0000 | |
| 358 | A | A | 0.0000 | |
| 359 | M | A | 0.0000 | |
| 360 | K | A | -1.0052 | |
| 361 | C | A | -0.4997 | |
| 362 | Y | A | -0.7967 | |
| 363 | P | A | -1.2847 | |
| 364 | D | A | -2.3801 | |
| 365 | R | A | -1.9928 | |
| 366 | V | A | -1.1280 | |
| 367 | D | A | -2.1605 | |
| 368 | Y | A | -1.4943 | |
| 369 | V | A | 0.0000 | |
| 370 | D | A | -1.9538 | |
| 371 | K | A | -1.9166 | |
| 372 | V | A | 0.0000 | |
| 373 | L | A | 0.0000 | |
| 374 | E | A | -2.2839 | |
| 375 | T | A | -1.5293 | |
| 376 | T | A | 0.0000 | |
| 377 | V | A | -1.8787 | |
| 378 | E | A | -2.7868 | |
| 379 | I | A | -1.7530 | |
| 380 | F | A | 0.0000 | |
| 381 | N | A | -2.6829 | |
| 382 | K | A | -2.8364 | |
| 383 | L | A | -1.7392 | |
| 384 | N | A | -2.0505 | |
| 385 | L | A | -1.5102 | |
| 386 | E | A | -2.2231 | |
| 387 | H | A | -1.9010 | |
| 388 | I | A | 0.0000 | |
| 389 | A | A | -0.8394 | |
| 390 | T | A | -0.8773 | |
| 391 | S | A | -0.5715 | |
| 392 | S | A | -0.7018 | |
| 393 | A | A | -0.8463 | |
| 394 | V | A | -0.8432 | |
| 395 | S | A | 0.0000 | |
| 396 | K | A | -2.0994 | |
| 397 | E | A | 0.0000 | |
| 398 | L | A | 0.0000 | |
| 399 | T | A | -1.2409 | |
| 400 | R | A | -1.6673 | |
| 401 | L | A | 0.0000 | |
| 402 | L | A | 0.0000 | |
| 403 | K | A | -1.1581 | |
| 404 | I | A | -0.8364 | |
| 405 | P | A | 0.0000 | |
| 406 | V | A | 0.0000 | |
| 407 | D | A | -2.0703 | |
| 408 | T | A | -1.2978 | |
| 409 | Y | A | -1.1301 | |
| 410 | N | A | -1.8110 | |
| 411 | N | A | -1.4020 | |
| 412 | I | A | 0.0000 | |
| 413 | L | A | 0.0000 | |
| 414 | T | A | -0.8030 | |
| 415 | V | A | 0.0000 | |
| 416 | L | A | 0.0000 | |
| 417 | K | A | -2.5883 | |
| 418 | L | A | 0.0000 | |
| 419 | K | A | -2.8677 | |
| 420 | H | A | -1.7416 | |
| 421 | F | A | 0.0000 | |
| 422 | H | A | -1.0117 | |
| 423 | P | A | -1.1871 | |
| 424 | L | A | 0.0000 | |
| 425 | F | A | 0.0000 | |
| 426 | E | A | -1.7960 | |
| 427 | Y | A | -1.1376 | |
| 428 | F | A | 0.0000 | |
| 429 | D | A | -0.9466 | |
| 430 | Y | A | -0.7046 | |
| 431 | E | A | -1.9275 | |
| 432 | S | A | 0.0000 | |
| 433 | R | A | -1.8323 | |
| 434 | K | A | -2.6388 | |
| 435 | S | A | -1.3226 | |
| 436 | M | A | 0.0000 | |
| 437 | S | A | 0.0000 | |
| 438 | C | A | -0.7946 | |
| 439 | Y | A | -0.2314 | |
| 440 | V | A | 0.0000 | |
| 441 | R | A | -1.4390 | mutated: LR441A |
| 442 | S | A | -1.1715 | |
| 443 | N | A | -1.5383 | |
| 444 | V | A | -1.4160 | |
| 445 | R | A | -2.8018 | mutated: LR445A |
| 446 | D | A | -2.4913 | |
| 447 | Y | A | -1.0549 | |
| 448 | N | A | -2.0369 | |
| 449 | T | A | -2.1396 | |
| 450 | E | A | -2.4839 | |
| 451 | R | A | -2.5855 | mutated: IR451A |
| 452 | V | A | -1.5937 | |
| 453 | S | A | -1.8240 | |
| 454 | Q | A | -2.2259 | |
| 455 | D | A | -2.3946 | |
| 456 | Q | A | -2.3078 | |
| 457 | V | A | -1.7593 | |
| 458 | D | A | -2.5631 | |
| 459 | S | A | -2.3315 | |
| 460 | I | A | -1.6233 | |
| 461 | R | A | -2.9823 | mutated: MR461A |
| 462 | N | A | -2.4854 | |
| 463 | L | A | 0.0000 | |
| 464 | R | A | -2.8939 | mutated: VR464A |
| 465 | S | A | -2.2287 | |
| 466 | T | A | -2.2073 | |
| 467 | R | A | -2.7171 | mutated: LR467A |
| 468 | A | A | -1.6105 | mutated: IA468A |
| 469 | Q | A | -1.7207 | |
| 8 | F | B | 1.4520 | |
| 9 | G | B | 0.1587 | |
| 10 | P | B | -0.4473 | |
| 11 | I | B | -0.9739 | |
| 12 | C | B | 0.0000 | |
| 13 | E | B | -1.8430 | |
| 14 | I | B | 0.0000 | |
| 15 | D | B | -2.2426 | |
| 16 | I | B | 0.0000 | |
| 17 | V | B | -0.5899 | |
| 18 | L | B | 0.0000 | |
| 19 | N | B | -2.2721 | |
| 20 | D | B | -1.8009 | |
| 21 | G | B | -1.6902 | |
| 22 | E | B | -2.5537 | |
| 23 | T | B | -1.6970 | |
| 24 | R | B | -1.7266 | |
| 25 | K | B | -1.7803 | |
| 26 | M | B | -1.1430 | |
| 27 | A | B | -1.5986 | |
| 28 | E | B | -2.9731 | |
| 29 | M | B | -2.2735 | |
| 30 | K | B | -3.2676 | |
| 31 | T | B | -2.8069 | |
| 32 | E | B | -3.4519 | |
| 33 | D | B | -3.4855 | |
| 34 | G | B | -2.9497 | |
| 35 | K | B | -3.3005 | |
| 36 | V | B | -2.2852 | |
| 37 | E | B | -2.9081 | |
| 38 | K | B | -2.9124 | |
| 39 | H | B | -1.7537 | |
| 40 | Y | B | -0.8907 | |
| 41 | L | B | 0.0000 | |
| 42 | F | B | 0.0000 | |
| 43 | Y | B | -1.0829 | |
| 44 | D | B | -2.6724 | |
| 45 | G | B | -2.1408 | |
| 46 | E | B | -1.6015 | |
| 47 | S | B | -1.2840 | |
| 48 | V | B | 0.0000 | |
| 49 | S | B | -1.5999 | |
| 50 | G | B | -1.8871 | |
| 51 | K | B | -2.3596 | |
| 52 | V | B | 0.0000 | |
| 53 | N | B | -2.1755 | |
| 54 | L | B | 0.0000 | |
| 55 | A | B | -1.8134 | |
| 56 | F | B | -2.1433 | |
| 57 | K | B | -2.1626 | |
| 58 | Q | B | -1.8689 | |
| 59 | P | B | -2.0243 | |
| 60 | G | B | -2.1254 | |
| 61 | K | B | -3.0201 | |
| 62 | R | B | -3.4437 | |
| 63 | L | B | 0.0000 | |
| 64 | E | B | -2.3097 | |
| 65 | H | B | 0.0000 | |
| 66 | Q | B | -1.1172 | |
| 67 | G | B | -0.4483 | |
| 68 | I | B | 0.0000 | |
| 69 | R | B | -0.9229 | |
| 70 | I | B | 0.0000 | |
| 71 | E | B | 0.0000 | |
| 72 | F | B | 0.0000 | |
| 73 | V | B | 0.0000 | |
| 74 | G | B | 0.0000 | |
| 75 | Q | B | 0.0000 | |
| 76 | I | B | 0.0000 | |
| 77 | E | B | -1.5970 | |
| 78 | L | B | 0.0000 | |
| 79 | F | B | -0.2665 | |
| 80 | N | B | -1.7777 | |
| 81 | D | B | -2.2168 | |
| 82 | K | B | -2.7454 | |
| 83 | S | B | -1.9096 | |
| 84 | N | B | -2.1963 | |
| 85 | T | B | -2.0073 | |
| 86 | H | B | -1.8078 | |
| 87 | E | B | -1.7208 | |
| 88 | F | B | -0.8776 | |
| 89 | V | B | 0.0000 | |
| 90 | N | B | -0.8403 | |
| 91 | L | B | 0.4446 | |
| 92 | V | B | 0.2623 | |
| 93 | K | B | -1.6919 | |
| 94 | E | B | -1.8149 | |
| 95 | L | B | -0.9783 | |
| 96 | A | B | -0.2354 | |
| 97 | L | B | 0.7093 | |
| 98 | P | B | -0.2644 | |
| 99 | G | B | -1.0338 | |
| 100 | E | B | -2.5952 | |
| 101 | L | B | 0.0000 | |
| 102 | T | B | -2.7207 | |
| 103 | Q | B | -2.7599 | |
| 104 | S | B | -2.1453 | |
| 105 | R | B | -2.4253 | |
| 106 | S | B | -2.0985 | |
| 107 | Y | B | 0.0000 | |
| 108 | D | B | -2.8003 | |
| 109 | F | B | 0.0000 | |
| 110 | E | B | -2.5189 | |
| 111 | F | B | 0.0000 | |
| 112 | M | B | -0.3561 | |
| 113 | Q | B | -1.8821 | |
| 114 | V | B | 0.0000 | |
| 115 | E | B | -2.7497 | |
| 116 | K | B | 0.0000 | |
| 117 | P | B | -1.0644 | |
| 118 | Y | B | -0.4614 | |
| 119 | E | B | 0.0000 | |
| 120 | S | B | 0.0000 | |
| 121 | Y | B | 0.0000 | |
| 122 | I | B | -0.5938 | |
| 123 | G | B | -0.7350 | |
| 124 | A | B | -0.4695 | |
| 125 | N | B | -0.2575 | |
| 126 | V | B | 0.0000 | |
| 127 | R | B | -0.6016 | |
| 128 | L | B | 0.0000 | |
| 129 | R | B | -0.5355 | |
| 130 | Y | B | 0.0000 | |
| 131 | F | B | 0.0000 | |
| 132 | L | B | 0.0000 | |
| 133 | K | B | -0.7613 | |
| 134 | V | B | 0.0000 | |
| 135 | T | B | 0.0000 | |
| 136 | I | B | 0.0000 | |
| 137 | V | B | -0.4710 | |
| 138 | R | B | -1.3457 | |
| 139 | R | B | -1.6239 | |
| 140 | L | B | 0.3267 | |
| 141 | T | B | -0.1425 | |
| 142 | D | B | -0.6936 | |
| 143 | L | B | 0.1108 | |
| 144 | V | B | 0.4141 | |
| 145 | K | B | -1.1187 | |
| 146 | E | B | -1.6631 | |
| 147 | Y | B | -1.0316 | |
| 148 | D | B | -1.2176 | |
| 149 | L | B | 0.0000 | |
| 150 | I | B | 0.0000 | |
| 151 | V | B | 0.0000 | |
| 152 | H | B | -0.3284 | |
| 153 | Q | B | -0.4298 | |
| 154 | L | B | 0.0728 | |
| 155 | A | B | 0.1940 | |
| 156 | T | B | -0.0328 | |
| 157 | Y | B | 0.7629 | |
| 158 | P | B | 0.1317 | |
| 159 | D | B | -0.8400 | |
| 160 | V | B | 0.4971 | |
| 161 | N | B | -0.5087 | |
| 162 | N | B | -1.5582 | |
| 163 | S | B | -1.2452 | |
| 164 | I | B | -1.2884 | |
| 165 | K | B | -2.2040 | |
| 166 | M | B | -1.6563 | |
| 167 | E | B | -1.9106 | |
| 168 | V | B | 0.0000 | |
| 169 | G | B | 0.0000 | |
| 170 | I | B | -0.8584 | |
| 171 | E | B | -2.4212 | |
| 172 | D | B | -2.5224 | |
| 173 | C | B | -1.4364 | |
| 174 | L | B | 0.0000 | |
| 175 | H | B | -0.9206 | |
| 176 | I | B | 0.0000 | |
| 177 | E | B | -1.3954 | |
| 178 | F | B | 0.0000 | |
| 179 | E | B | -1.1987 | |
| 180 | Y | B | 0.0000 | |
| 181 | N | B | -0.9676 | |
| 182 | K | B | -1.0443 | |
| 183 | S | B | -0.8281 | |
| 184 | K | B | -0.4237 | |
| 185 | Y | B | 0.0000 | |
| 186 | H | B | -0.9347 | |
| 187 | L | B | -1.4279 | |
| 188 | K | B | -2.2436 | |
| 189 | D | B | -1.2171 | |
| 190 | V | B | 0.0000 | |
| 191 | I | B | 0.0000 | |
| 192 | V | B | 0.0000 | |
| 193 | G | B | 0.0000 | |
| 194 | K | B | -0.2814 | |
| 195 | I | B | 0.0000 | |
| 196 | Y | B | 0.0000 | |
| 197 | F | B | 0.0000 | |
| 198 | L | B | 0.2700 | |
| 199 | L | B | -0.2977 | |
| 200 | V | B | 0.0000 | |
| 201 | R | B | -0.9498 | |
| 202 | I | B | 0.0000 | |
| 203 | K | B | -1.4230 | |
| 204 | I | B | 0.0000 | |
| 205 | Q | B | -1.8535 | |
| 206 | H | B | -0.9847 | |
| 207 | M | B | 0.0000 | |
| 208 | E | B | 0.0000 | |
| 209 | L | B | 0.0000 | |
| 210 | Q | B | -0.7466 | |
| 211 | L | B | 0.0000 | |
| 212 | I | B | -0.5591 | |
| 213 | K | B | 0.0000 | |
| 214 | K | B | -0.9610 | |
| 215 | E | B | 0.0000 | |
| 216 | I | B | -0.2783 | |
| 217 | T | B | 0.0000 | |
| 218 | G | B | 0.2536 | |
| 219 | I | B | 1.0540 | |
| 220 | G | B | 0.2649 | |
| 221 | P | B | -0.1301 | |
| 222 | S | B | 0.1260 | |
| 223 | T | B | 0.1057 | |
| 224 | T | B | -0.0504 | |
| 225 | T | B | -0.5836 | |
| 226 | E | B | -1.2059 | |
| 227 | T | B | -1.1609 | |
| 228 | E | B | -1.4894 | |
| 229 | T | B | -0.7591 | |
| 230 | I | B | -0.2859 | |
| 231 | A | B | 0.0000 | |
| 232 | K | B | -1.8012 | |
| 233 | Y | B | 0.0000 | |
| 234 | E | B | 0.0000 | |
| 235 | I | B | 0.0000 | |
| 236 | M | B | 0.0000 | |
| 237 | D | B | 0.0000 | |
| 238 | G | B | 0.0000 | |
| 239 | A | B | -0.6482 | |
| 240 | P | B | 0.0000 | |
| 241 | V | B | -0.3676 | |
| 242 | K | B | -0.7207 | |
| 243 | G | B | -1.0591 | |
| 244 | E | B | 0.0000 | |
| 245 | S | B | 0.0000 | |
| 246 | I | B | 0.0000 | |
| 247 | P | B | -0.1556 | |
| 248 | I | B | 0.0000 | |
| 249 | R | B | 0.0000 | |
| 250 | L | B | 0.0000 | |
| 251 | F | B | 0.0000 | |
| 252 | L | B | 0.0000 | |
| 253 | A | B | -1.1743 | |
| 254 | G | B | -0.6843 | |
| 255 | Y | B | -0.6734 | |
| 256 | D | B | -1.8637 | |
| 257 | P | B | 0.0000 | |
| 258 | T | B | -0.4390 | |
| 259 | P | B | 0.0000 | |
| 260 | T | B | -0.4773 | |
| 261 | M | B | 0.0000 | |
| 262 | R | B | -2.6501 | |
| 263 | D | B | -3.0820 | |
| 264 | V | B | 0.0000 | |
| 265 | N | B | -1.9485 | |
| 266 | K | B | -2.5453 | |
| 267 | K | B | -1.4661 | |
| 268 | F | B | 0.0000 | |
| 269 | S | B | 0.0000 | |
| 270 | V | B | 0.0000 | |
| 271 | R | B | -0.6819 | |
| 272 | Y | B | 0.0000 | |
| 273 | F | B | -0.3070 | |
| 274 | L | B | 0.0000 | |
| 275 | N | B | -0.7722 | |
| 276 | L | B | 0.0000 | |
| 277 | V | B | 0.0000 | |
| 278 | L | B | 0.0000 | |
| 279 | V | B | 0.0000 | |
| 280 | D | B | 0.0000 | |
| 281 | E | B | -2.9963 | |
| 282 | E | B | -2.7435 | |
| 283 | D | B | -3.0367 | |
| 284 | R | B | 0.0000 | |
| 285 | R | B | -1.6889 | |
| 286 | Y | B | 0.0000 | |
| 287 | F | B | -0.3178 | |
| 288 | K | B | -0.3558 | |
| 289 | Q | B | -1.1777 | |
| 290 | Q | B | -0.7825 | |
| 291 | E | B | -0.6154 | |
| 292 | I | B | 0.0000 | |
| 293 | I | B | -0.0128 | |
| 294 | L | B | 0.0000 | |
| 295 | W | B | 0.0000 | |
| 296 | R | B | -0.7696 | |
| 297 | K | B | -1.3233 | |
| 298 | A | B | -0.7352 | |
| 299 | P | B | -1.3298 | |
| 300 | E | B | -2.0743 | |
| 321 | S | B | -0.9986 | |
| 322 | A | B | -1.1001 | |
| 323 | E | B | -2.5866 | |
| 324 | Q | B | -2.4095 | |
| 325 | P | B | 0.0000 | |
| 326 | E | B | -2.4310 | |
| 327 | M | B | 0.0000 | |
| 328 | G | B | -0.2949 | |
| 329 | L | B | 0.0000 | |
| 330 | V | B | 0.8414 | |
| 331 | P | B | -0.6551 | |
| 332 | R | B | -1.6562 | |
| 333 | G | B | -1.0334 | |
| 4 | T | C | -0.1643 | |
| 5 | V | C | 0.0448 | |
| 6 | A | C | -0.7701 | |
| 7 | D | C | -1.3322 | |
| 8 | T | C | -1.5287 | |
| 9 | R | C | -1.5127 | |
| 10 | R | C | -0.5383 | |
| 11 | L | C | 0.5364 | |
| 12 | I | C | 1.4859 | |
| 13 | T | C | 0.0053 | |
| 14 | K | C | -1.5946 | |
| 15 | P | C | -1.2411 | |
| 16 | Q | C | -1.7426 | |
| 17 | N | C | -2.2379 | |
| 18 | L | C | -1.6323 | |
| 19 | N | C | -2.2805 | |
| 20 | D | C | -1.9397 | |
| 21 | A | C | 0.0000 | |
| 22 | Y | C | 0.0000 | |
| 23 | G | C | -1.4738 | |
| 24 | P | C | -0.9000 | |
| 25 | P | C | -0.7545 | |
| 26 | S | C | -0.6353 | |
| 27 | N | C | -0.5083 | |
| 28 | F | C | -0.6002 | |
| 29 | L | C | 0.0000 | |
| 30 | E | C | -0.9314 | |
| 31 | I | C | 0.0000 | |
| 32 | D | C | -1.6347 | |
| 33 | V | C | 0.0000 | |
| 34 | S | C | -1.7872 | |
| 35 | N | C | -2.0162 | |
| 36 | P | C | -1.7627 | |
| 37 | Q | C | -1.5127 | |
| 38 | T | C | -0.1446 | |
| 39 | V | C | 0.3301 | |
| 40 | G | C | -0.1526 | |
| 41 | V | C | 0.6371 | |
| 42 | G | C | -0.9003 | |
| 43 | R | C | -2.2201 | |
| 44 | G | C | -1.4678 | |
| 45 | R | C | -1.0858 | |
| 46 | F | C | -0.3778 | |
| 47 | T | C | -0.5991 | |
| 48 | T | C | 0.0000 | |
| 49 | Y | C | 0.0000 | |
| 50 | E | C | -1.8258 | |
| 51 | I | C | 0.0000 | |
| 52 | R | C | -2.1773 | |
| 53 | V | C | 0.0000 | |
| 54 | K | C | -2.1782 | |
| 55 | T | C | 0.0000 | |
| 56 | N | C | -1.9160 | |
| 57 | L | C | 0.0000 | |
| 58 | P | C | -0.7801 | |
| 59 | I | C | -0.0031 | |
| 60 | F | C | 0.0000 | |
| 61 | K | C | -2.0007 | |
| 62 | L | C | -1.7176 | |
| 63 | K | C | -2.5106 | |
| 64 | E | C | -3.0243 | |
| 65 | S | C | -2.1833 | |
| 66 | T | C | -1.8192 | |
| 67 | V | C | 0.0000 | |
| 68 | R | C | -1.8881 | |
| 69 | R | C | 0.0000 | |
| 70 | R | C | -1.3427 | |
| 71 | Y | C | 0.0000 | |
| 72 | S | C | -0.9005 | |
| 73 | D | C | -0.8632 | |
| 74 | F | C | 0.0000 | |
| 75 | E | C | -0.9397 | |
| 76 | W | C | -0.8707 | |
| 77 | L | C | 0.0000 | |
| 78 | R | C | -1.2155 | |
| 79 | S | C | -1.6456 | |
| 80 | E | C | -2.1567 | |
| 81 | L | C | 0.0000 | |
| 82 | E | C | -3.3369 | |
| 83 | R | C | -3.8531 | |
| 84 | E | C | -3.8923 | |
| 85 | S | C | 0.0000 | |
| 86 | K | C | -2.5564 | |
| 87 | V | C | 0.0000 | |
| 88 | V | C | -0.4459 | |
| 89 | V | C | 0.0000 | |
| 90 | P | C | -0.6779 | |
| 91 | P | C | -0.5505 | |
| 92 | L | C | -0.7092 | |
| 93 | P | C | -1.2881 | |
| 94 | G | C | -0.8881 | |
| 95 | K | C | -1.1156 | |
| 96 | A | C | 0.3263 | |
| 97 | F | C | 1.9109 | |
| 98 | L | C | 1.8793 | |
| 99 | R | C | 0.2252 | |
| 100 | Q | C | 0.0865 | |
| 101 | L | C | 1.1426 | |
| 102 | P | C | 0.3330 | |
| 103 | F | C | 0.9742 | |
| 104 | R | C | -0.6091 | |
| 105 | G | C | -1.1887 | |
| 106 | D | C | -2.0840 | |
| 107 | D | C | -2.5751 | |
| 108 | G | C | 0.0000 | |
| 109 | I | C | -0.5629 | |
| 110 | F | C | -1.4691 | |
| 111 | D | C | -2.3161 | |
| 112 | D | C | -3.2813 | |
| 113 | N | C | -2.9869 | |
| 114 | F | C | 0.0000 | |
| 115 | I | C | -2.2451 | |
| 116 | E | C | -3.4657 | |
| 117 | E | C | -3.4546 | |
| 118 | R | C | 0.0000 | |
| 119 | K | C | -2.4869 | |
| 120 | Q | C | -2.8347 | |
| 121 | G | C | -2.0551 | |
| 122 | L | C | 0.0000 | |
| 123 | E | C | -1.9030 | |
| 124 | Q | C | -2.0893 | |
| 125 | F | C | 0.0000 | |
| 126 | I | C | 0.0000 | |
| 127 | N | C | -1.1409 | |
| 128 | K | C | -1.4505 | |
| 129 | V | C | 0.0000 | |
| 130 | A | C | 0.0000 | |
| 131 | G | C | -0.5213 | |
| 132 | H | C | 0.0000 | |
| 133 | P | C | 0.0000 | |
| 134 | L | C | -0.1092 | |
| 135 | A | C | 0.0000 | |
| 136 | Q | C | 0.0000 | |
| 137 | N | C | -1.1810 | |
| 138 | E | C | 0.0000 | |
| 139 | R | C | -1.9592 | |
| 140 | C | C | 0.0000 | |
| 141 | L | C | 0.0000 | |
| 142 | H | C | -0.9981 | |
| 143 | M | C | -1.2527 | |
| 144 | F | C | 0.0000 | |
| 145 | L | C | 0.0000 | |
| 146 | Q | C | 0.0000 | |
| 147 | D | C | -2.2189 | |
| 148 | E | C | -1.9233 | |
| 149 | I | C | -0.0717 | |
| 150 | I | C | 0.0000 | |
| 151 | D | C | -2.4399 | |
| 152 | K | C | -2.3672 | |
| 153 | S | C | -1.5248 | |
| 154 | Y | C | -1.1404 | |
| 155 | T | C | -0.6927 | |
| 156 | P | C | -1.1886 | |
| 157 | S | C | -1.6422 | |
| 158 | K | C | -2.4308 |
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