Project name: MPV_218T80I208T_417P [mutate: ST182A, ST182C, ST182B, EI62A, EI62C, EI62B, SF172A, SF172C, SF172B, QP417A, QP417C, QP417B]
Status: done
Started: 2025-12-11 17:45:54
| Chain sequence(s) |
A: LKESYLEESCSTITEGYLSVLRTGWYTNVFTLEVGDVENLTCADGPSLIKTELDLTKSALRELKTVSADQLGGGGSATAAAVTAGVAIAKCIRLPSEVTAIKNALKKTNEAVSTLGCGVRVLATAVPELKDFVSKNLTRAINKNKCDIPDLKMAVSFSQFNRRFLNVVRQFSDNAGITPAISLDLMTDAELARAVSNMPTSAGQIKLMLENRAMVRRKGFGILIGVYGSSVIYMVQLPIFGVIDTPCWIVKAAPSCSEKKGNYACLLREDQGWYCQNAGSTVYYPNEKDCETRGDHVFCDTAAGINVAEQSKECNINISTTNYPCKVSTGRNPISMVALSPLGALVACYKGVSCSIGSNRVGIIKQLNKGCSYITNQDADTVTIDNTVYQLSKVEGEQHVIKGRPVSSSFDPVKFPQDQFNVALPQVFENIENSQAWVDKFNRILSSAEKGNT
C: LKESYLEESCSTITEGYLSVLRTGWYTNVFTLEVGDVENLTCADGPSLIKTELDLTKSALRELKTVSADQLGGGGSATAAAVTAGVAIAKCIRLPSEVTAIKNALKKTNEAVSTLGCGVRVLATAVPELKDFVSKNLTRAINKNKCDIPDLKMAVSFSQFNRRFLNVVRQFSDNAGITPAISLDLMTDAELARAVSNMPTSAGQIKLMLENRAMVRRKGFGILIGVYGSSVIYMVQLPIFGVIDTPCWIVKAAPSCSEKKGNYACLLREDQGWYCQNAGSTVYYPNEKDCETRGDHVFCDTAAGINVAEQSKECNINISTTNYPCKVSTGRNPISMVALSPLGALVACYKGVSCSIGSNRVGIIKQLNKGCSYITNQDADTVTIDNTVYQLSKVEGEQHVIKGRPVSSSFDPVKFPQDQFNVALPQVFENIENSQAWVDKFNRILSSAEKGNT B: LKESYLEESCSTITEGYLSVLRTGWYTNVFTLEVGDVENLTCADGPSLIKTELDLTKSALRELKTVSADQLGGGGSATAAAVTAGVAIAKCIRLPSEVTAIKNALKKTNEAVSTLGCGVRVLATAVPELKDFVSKNLTRAINKNKCDIPDLKMAVSFSQFNRRFLNVVRQFSDNAGITPAISLDLMTDAELARAVSNMPTSAGQIKLMLENRAMVRRKGFGILIGVYGSSVIYMVQLPIFGVIDTPCWIVKAAPSCSEKKGNYACLLREDQGWYCQNAGSTVYYPNEKDCETRGDHVFCDTAAGINVAEQSKECNINISTTNYPCKVSTGRNPISMVALSPLGALVACYKGVSCSIGSNRVGIIKQLNKGCSYITNQDADTVTIDNTVYQLSKVEGEQHVIKGRPVSSSFDPVKFPQDQFNVALPQVFENIENSQAWVDKFNRILSSAEKGNT input PDB |
| Selected Chain(s) | A,C,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | Yes |
| Automated mutations | No |
| Mutated residues | SF172B,ST182B,QP417C,QP417B,ST182C,EI62B,SF172C,EI62C,EI62A,QP417A,SF172A,ST182A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -1.59785 kcal/mol |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] FoldX: Building mutant model (00:35:49)
[INFO] CABS: Running CABS flex simulation (00:45:05)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (09:49:58)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (09:50:27)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (09:50:57)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (09:51:27)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (09:51:56)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (09:52:25)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (09:52:54)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (09:53:23)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (09:53:53)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (09:54:22)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (09:54:53)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (09:55:22)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (09:55:52)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (09:56:53)
[INFO] Main: Simulation completed successfully. (09:57:18)
|
Note Your prediction results will be deleted after 360 days.
Drag cursor over the plot to display residue labels.
Show buried residues
- Minimal score value
- -3.4417
- Maximal score value
- 1.8837
- Average score
- -0.6609
- Total score value
- -898.1153
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 | L | A | -1.6204 | |
| 2 | K | A | -2.4560 | |
| 3 | E | A | 0.0000 | |
| 4 | S | A | 0.0000 | |
| 5 | Y | A | 0.0000 | |
| 6 | L | A | 0.0000 | |
| 7 | E | A | -0.8089 | |
| 8 | E | A | -1.3199 | |
| 9 | S | A | 0.0000 | |
| 10 | C | A | 0.0000 | |
| 11 | S | A | 0.0000 | |
| 12 | T | A | 0.0000 | |
| 13 | I | A | 0.0000 | |
| 14 | T | A | 0.0000 | |
| 15 | E | A | -1.7048 | |
| 16 | G | A | -1.4188 | |
| 17 | Y | A | 0.0000 | |
| 18 | L | A | -0.8986 | |
| 19 | S | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | R | A | 0.0000 | |
| 23 | T | A | 0.1050 | |
| 24 | G | A | 0.1382 | |
| 25 | W | A | 0.1385 | |
| 26 | Y | A | 0.0000 | |
| 27 | T | A | 0.0000 | |
| 28 | N | A | 0.0000 | |
| 29 | V | A | 0.0000 | |
| 30 | F | A | 0.0000 | |
| 31 | T | A | 0.0000 | |
| 32 | L | A | 0.0000 | |
| 33 | E | A | -1.1761 | |
| 34 | V | A | 0.0000 | |
| 35 | G | A | 0.0000 | |
| 36 | D | A | -2.7887 | |
| 37 | V | A | 0.0000 | |
| 38 | E | A | -3.2357 | |
| 39 | N | A | -2.6454 | |
| 40 | L | A | 0.0000 | |
| 41 | T | A | -1.8209 | |
| 42 | C | A | -1.6484 | |
| 43 | A | A | -1.2777 | |
| 44 | D | A | -1.7776 | |
| 45 | G | A | -1.0282 | |
| 46 | P | A | -0.7685 | |
| 47 | S | A | 0.0000 | |
| 48 | L | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | K | A | -1.4352 | |
| 51 | T | A | -0.7055 | |
| 52 | E | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | D | A | -2.0571 | |
| 55 | L | A | -0.6796 | |
| 56 | T | A | 0.0000 | |
| 57 | K | A | -1.9015 | |
| 58 | S | A | -1.0720 | |
| 59 | A | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | R | A | -2.0584 | |
| 62 | I | A | 0.0000 | mutated: EI62A |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -2.3008 | |
| 65 | T | A | -1.6245 | |
| 66 | V | A | 0.0000 | |
| 67 | S | A | -0.9715 | |
| 68 | A | A | 0.0000 | |
| 69 | D | A | -1.3849 | |
| 70 | Q | A | 0.0000 | |
| 71 | L | A | -0.4133 | |
| 72 | G | A | -1.1080 | |
| 73 | G | A | -1.1903 | |
| 74 | G | A | -1.0802 | |
| 75 | G | A | -0.9225 | |
| 76 | S | A | -0.9910 | |
| 77 | A | A | -0.5223 | |
| 78 | T | A | -0.3565 | |
| 79 | A | A | -0.5864 | |
| 80 | A | A | 0.0923 | |
| 81 | A | A | 0.0000 | |
| 82 | V | A | 0.0000 | |
| 83 | T | A | -0.1409 | |
| 84 | A | A | 0.0000 | |
| 85 | G | A | 0.0000 | |
| 86 | V | A | 0.0000 | |
| 87 | A | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | K | A | -0.9696 | |
| 91 | C | A | 0.0000 | |
| 92 | I | A | 0.0000 | |
| 93 | R | A | -0.2323 | |
| 94 | L | A | 0.3869 | |
| 95 | P | A | 0.0226 | |
| 96 | S | A | -0.2606 | |
| 97 | E | A | -0.3167 | |
| 98 | V | A | 0.0000 | |
| 99 | T | A | -0.4737 | |
| 100 | A | A | -0.5025 | |
| 101 | I | A | 0.0000 | |
| 102 | K | A | -1.5223 | |
| 103 | N | A | -1.7819 | |
| 104 | A | A | -1.2872 | |
| 105 | L | A | -1.9796 | |
| 106 | K | A | -3.1317 | |
| 107 | K | A | -3.0086 | |
| 108 | T | A | -2.2051 | |
| 109 | N | A | -2.2054 | |
| 110 | E | A | -1.7482 | |
| 111 | A | A | -0.2648 | |
| 112 | V | A | 1.3494 | |
| 113 | S | A | 0.4645 | |
| 114 | T | A | -0.0555 | |
| 115 | L | A | 0.0000 | |
| 116 | G | A | -0.4888 | |
| 117 | C | A | -0.6400 | |
| 118 | G | A | -0.8126 | |
| 119 | V | A | -0.7005 | |
| 120 | R | A | -0.4418 | |
| 121 | V | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | A | A | 0.0000 | |
| 124 | T | A | -0.5912 | |
| 125 | A | A | 0.0000 | |
| 126 | V | A | 0.0000 | |
| 127 | P | A | -1.5551 | |
| 128 | E | A | -2.0109 | |
| 129 | L | A | 0.0000 | |
| 130 | K | A | -2.3126 | |
| 131 | D | A | -2.3875 | |
| 132 | F | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | S | A | -2.3887 | |
| 135 | K | A | -2.9717 | |
| 136 | N | A | -2.4656 | |
| 137 | L | A | 0.0000 | |
| 138 | T | A | -2.4676 | |
| 139 | R | A | -3.0301 | |
| 140 | A | A | -2.2605 | |
| 141 | I | A | 0.0000 | |
| 142 | N | A | -3.0204 | |
| 143 | K | A | -3.2079 | |
| 144 | N | A | -2.7595 | |
| 145 | K | A | -2.7109 | |
| 146 | C | A | 0.0000 | |
| 147 | D | A | -1.4714 | |
| 148 | I | A | -1.0535 | |
| 149 | P | A | -0.9522 | |
| 150 | D | A | -1.4525 | |
| 151 | L | A | -0.7952 | |
| 152 | K | A | -1.0049 | |
| 153 | M | A | -0.6256 | |
| 154 | A | A | 0.0000 | |
| 155 | V | A | -0.0564 | |
| 156 | S | A | -0.0640 | |
| 157 | F | A | 0.0000 | |
| 158 | S | A | 0.0272 | |
| 159 | Q | A | 0.0704 | |
| 160 | F | A | 0.0466 | |
| 161 | N | A | 0.0000 | |
| 162 | R | A | -0.4576 | |
| 163 | R | A | -0.5879 | |
| 164 | F | A | 0.0000 | |
| 165 | L | A | -0.1381 | |
| 166 | N | A | -0.6147 | |
| 167 | V | A | 0.0000 | |
| 168 | V | A | 0.0000 | |
| 169 | R | A | -0.6365 | |
| 170 | Q | A | -0.5809 | |
| 171 | F | A | 0.0000 | |
| 172 | F | A | 0.0000 | mutated: SF172A |
| 173 | D | A | -0.6913 | |
| 174 | N | A | -0.6383 | |
| 175 | A | A | 0.0000 | |
| 176 | G | A | 0.0000 | |
| 177 | I | A | 0.0000 | |
| 178 | T | A | 0.0000 | |
| 179 | P | A | -0.6192 | |
| 180 | A | A | 0.0000 | |
| 181 | I | A | 0.0000 | |
| 182 | T | A | -0.3316 | mutated: ST182A |
| 183 | L | A | -0.0880 | |
| 184 | D | A | 0.0000 | |
| 185 | L | A | 0.0000 | |
| 186 | M | A | 0.0000 | |
| 187 | T | A | -0.2121 | |
| 188 | D | A | 0.0000 | |
| 189 | A | A | -0.5689 | |
| 190 | E | A | -0.9459 | |
| 191 | L | A | 0.0000 | |
| 192 | A | A | -1.1900 | |
| 193 | R | A | -2.1709 | |
| 194 | A | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | S | A | -1.2854 | |
| 197 | N | A | -0.8086 | |
| 198 | M | A | 0.0000 | |
| 199 | P | A | -0.4716 | |
| 200 | T | A | -0.2962 | |
| 201 | S | A | -0.5168 | |
| 202 | A | A | -0.6618 | |
| 203 | G | A | -1.0442 | |
| 204 | Q | A | -1.0101 | |
| 205 | I | A | -1.1060 | |
| 206 | K | A | -2.1544 | |
| 207 | L | A | -1.2936 | |
| 208 | M | A | 0.0000 | |
| 209 | L | A | -1.5163 | |
| 210 | E | A | -2.3953 | |
| 211 | N | A | -1.2332 | |
| 212 | R | A | -0.9521 | |
| 213 | A | A | 0.0000 | |
| 214 | M | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | R | A | 0.0000 | |
| 217 | R | A | -0.7601 | |
| 218 | K | A | -0.5509 | |
| 219 | G | A | 0.0000 | |
| 220 | F | A | 0.0000 | |
| 221 | G | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | L | A | 0.0000 | |
| 224 | I | A | 0.0000 | |
| 225 | G | A | -0.3540 | |
| 226 | V | A | -0.4269 | |
| 227 | Y | A | -0.1163 | |
| 228 | G | A | -0.5393 | |
| 229 | S | A | -1.0354 | |
| 230 | S | A | 0.0000 | |
| 231 | V | A | 0.0000 | |
| 232 | I | A | 0.0000 | |
| 233 | Y | A | 0.0000 | |
| 234 | M | A | 0.0000 | |
| 235 | V | A | 0.0000 | |
| 236 | Q | A | 0.0000 | |
| 237 | L | A | 0.0000 | |
| 238 | P | A | 0.0000 | |
| 239 | I | A | 0.1443 | |
| 240 | F | A | 0.0000 | |
| 241 | G | A | 0.0161 | |
| 242 | V | A | -0.0760 | |
| 243 | I | A | -0.4762 | |
| 244 | D | A | -1.7338 | |
| 245 | T | A | -0.8579 | |
| 246 | P | A | -0.8700 | |
| 247 | C | A | 0.0000 | |
| 248 | W | A | 0.0000 | |
| 249 | I | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | K | A | -0.6210 | |
| 252 | A | A | 0.0000 | |
| 253 | A | A | 0.0000 | |
| 254 | P | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | C | A | -0.6112 | |
| 257 | S | A | -1.5370 | |
| 258 | E | A | -3.3788 | |
| 259 | K | A | -3.0420 | |
| 260 | K | A | -2.9465 | |
| 261 | G | A | -2.6274 | |
| 262 | N | A | -2.7954 | |
| 263 | Y | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | C | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | L | A | 0.0586 | |
| 268 | R | A | 0.0000 | |
| 269 | E | A | -1.1905 | |
| 270 | D | A | -0.9607 | |
| 271 | Q | A | -1.1417 | |
| 272 | G | A | -1.3210 | |
| 273 | W | A | 0.0000 | |
| 274 | Y | A | 0.0000 | |
| 275 | C | A | 0.0000 | |
| 276 | Q | A | -0.8741 | |
| 277 | N | A | 0.0000 | |
| 278 | A | A | -0.4446 | |
| 279 | G | A | -0.9110 | |
| 280 | S | A | -0.8962 | |
| 281 | T | A | 0.0000 | |
| 282 | V | A | 0.0000 | |
| 283 | Y | A | 0.1088 | |
| 284 | Y | A | 0.0000 | |
| 285 | P | A | -1.2924 | |
| 286 | N | A | -2.3554 | |
| 287 | E | A | -3.2249 | |
| 288 | K | A | -3.1164 | |
| 289 | D | A | -1.9823 | |
| 290 | C | A | 0.0000 | |
| 291 | E | A | -1.2756 | |
| 292 | T | A | 0.0000 | |
| 293 | R | A | 0.0000 | |
| 294 | G | A | -1.3510 | |
| 295 | D | A | -1.6212 | |
| 296 | H | A | -1.0566 | |
| 297 | V | A | 0.0000 | |
| 298 | F | A | 0.0000 | |
| 299 | C | A | 0.0000 | |
| 300 | D | A | 0.0000 | |
| 301 | T | A | 0.0000 | |
| 302 | A | A | 0.1974 | |
| 303 | A | A | -0.2592 | |
| 304 | G | A | 0.1348 | |
| 305 | I | A | 0.7808 | |
| 306 | N | A | 0.0733 | |
| 307 | V | A | -0.0573 | |
| 308 | A | A | -1.1502 | |
| 309 | E | A | -2.2742 | |
| 310 | Q | A | -1.9410 | |
| 311 | S | A | -1.2627 | |
| 312 | K | A | -1.3262 | |
| 313 | E | A | -1.3178 | |
| 314 | C | A | 0.0000 | |
| 315 | N | A | 0.0000 | |
| 316 | I | A | 1.0985 | |
| 317 | N | A | -0.8362 | |
| 318 | I | A | 0.0000 | |
| 319 | S | A | -0.5382 | |
| 320 | T | A | -0.6649 | |
| 321 | T | A | -1.0758 | |
| 322 | N | A | -1.5677 | |
| 323 | Y | A | -1.2697 | |
| 324 | P | A | -0.7215 | |
| 325 | C | A | 0.0000 | |
| 326 | K | A | -0.9227 | |
| 327 | V | A | 0.0000 | |
| 328 | S | A | -0.3475 | |
| 329 | T | A | 0.0000 | |
| 330 | G | A | -0.2541 | |
| 331 | R | A | -0.9407 | |
| 332 | N | A | -0.9471 | |
| 333 | P | A | 0.0000 | |
| 334 | I | A | 0.7738 | |
| 335 | S | A | 0.0000 | |
| 336 | M | A | 0.7340 | |
| 337 | V | A | 0.6461 | |
| 338 | A | A | 0.1716 | |
| 339 | L | A | 0.1905 | |
| 340 | S | A | 0.0000 | |
| 341 | P | A | 0.0000 | |
| 342 | L | A | 0.0000 | |
| 343 | G | A | 0.0000 | |
| 344 | A | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | V | A | 0.0000 | |
| 347 | A | A | 0.0000 | |
| 348 | C | A | 0.0000 | |
| 349 | Y | A | 0.0000 | |
| 350 | K | A | -2.3179 | |
| 351 | G | A | -1.5227 | |
| 352 | V | A | -0.8835 | |
| 353 | S | A | -1.3659 | |
| 354 | C | A | 0.0000 | |
| 355 | S | A | -0.6151 | |
| 356 | I | A | 0.0000 | |
| 357 | G | A | 0.0000 | |
| 358 | S | A | -0.3130 | |
| 359 | N | A | -0.8770 | |
| 360 | R | A | -1.1295 | |
| 361 | V | A | 1.2488 | |
| 362 | G | A | 0.9107 | |
| 363 | I | A | 1.8600 | |
| 364 | I | A | 1.1414 | |
| 365 | K | A | -1.1013 | |
| 366 | Q | A | -1.8320 | |
| 367 | L | A | 0.0000 | |
| 368 | N | A | -2.4115 | |
| 369 | K | A | -2.5406 | |
| 370 | G | A | -1.4460 | |
| 371 | C | A | -0.3996 | |
| 372 | S | A | -0.3937 | |
| 373 | Y | A | 0.3965 | |
| 374 | I | A | 0.0000 | |
| 375 | T | A | -1.3441 | |
| 376 | N | A | 0.0000 | |
| 377 | Q | A | -2.4349 | |
| 378 | D | A | -2.2896 | |
| 379 | A | A | 0.0000 | |
| 380 | D | A | -0.8440 | |
| 381 | T | A | 0.0678 | |
| 382 | V | A | 0.0000 | |
| 383 | T | A | 0.1513 | |
| 384 | I | A | 0.0000 | |
| 385 | D | A | -0.8681 | |
| 386 | N | A | -0.7066 | |
| 387 | T | A | 0.0000 | |
| 388 | V | A | 0.5672 | |
| 389 | Y | A | 0.3865 | |
| 390 | Q | A | -0.1034 | |
| 391 | L | A | 0.0000 | |
| 392 | S | A | 0.0000 | |
| 393 | K | A | -1.1988 | |
| 394 | V | A | -1.1849 | |
| 395 | E | A | -2.4512 | |
| 396 | G | A | -2.3395 | |
| 397 | E | A | -2.8480 | |
| 398 | Q | A | -1.4044 | |
| 399 | H | A | -0.1801 | |
| 400 | V | A | 1.5833 | |
| 401 | I | A | 1.3498 | |
| 402 | K | A | -1.2394 | |
| 403 | G | A | -1.5433 | |
| 404 | R | A | -2.5431 | |
| 405 | P | A | -1.5127 | |
| 406 | V | A | 0.0000 | |
| 407 | S | A | 0.0000 | |
| 408 | S | A | -1.1318 | |
| 409 | S | A | -0.6734 | |
| 410 | F | A | 0.0000 | |
| 411 | D | A | -1.2745 | |
| 412 | P | A | 0.0000 | |
| 413 | V | A | -0.6913 | |
| 414 | K | A | -1.3594 | |
| 415 | F | A | 0.0000 | |
| 416 | P | A | -0.4550 | |
| 417 | P | A | -0.5092 | mutated: QP417A |
| 418 | D | A | 0.0000 | |
| 419 | Q | A | 0.0425 | |
| 420 | F | A | 0.2820 | |
| 421 | N | A | -0.7860 | |
| 422 | V | A | 0.0000 | |
| 423 | A | A | 0.0000 | |
| 424 | L | A | 0.0000 | |
| 425 | P | A | -0.5335 | |
| 426 | Q | A | 0.0000 | |
| 427 | V | A | 0.0000 | |
| 428 | F | A | -0.6592 | |
| 429 | E | A | -1.7767 | |
| 430 | N | A | -1.5845 | |
| 431 | I | A | -1.7333 | |
| 432 | E | A | -2.5012 | |
| 433 | N | A | -2.2896 | |
| 434 | S | A | -1.6867 | |
| 435 | Q | A | -1.8452 | |
| 436 | A | A | -1.6246 | |
| 437 | W | A | -1.1018 | |
| 438 | V | A | -0.9434 | |
| 439 | D | A | -2.5873 | |
| 440 | K | A | -2.1595 | |
| 441 | F | A | 0.0000 | |
| 442 | N | A | -2.4050 | |
| 443 | R | A | -2.7721 | |
| 444 | I | A | 0.0000 | |
| 445 | L | A | -1.9133 | |
| 446 | S | A | -1.9752 | |
| 447 | S | A | -2.4296 | |
| 448 | A | A | -2.4394 | |
| 449 | E | A | -3.1565 | |
| 450 | K | A | -3.1897 | |
| 451 | G | A | -3.0824 | |
| 452 | N | A | -2.8390 | |
| 453 | T | A | -1.6097 | |
| 1 | L | B | -1.7839 | |
| 2 | K | B | -2.6938 | |
| 3 | E | B | 0.0000 | |
| 4 | S | B | -0.4319 | |
| 5 | Y | B | 0.0000 | |
| 6 | L | B | 0.0000 | |
| 7 | E | B | -0.8275 | |
| 8 | E | B | -1.3105 | |
| 9 | S | B | 0.0000 | |
| 10 | C | B | 0.0000 | |
| 11 | S | B | 0.0000 | |
| 12 | T | B | 0.0000 | |
| 13 | I | B | 0.0000 | |
| 14 | T | B | 0.0000 | |
| 15 | E | B | -2.1132 | |
| 16 | G | B | -1.6087 | |
| 17 | Y | B | 0.0000 | |
| 18 | L | B | -0.8822 | |
| 19 | S | B | 0.0000 | |
| 20 | V | B | 0.0000 | |
| 21 | L | B | 0.0000 | |
| 22 | R | B | 0.0000 | |
| 23 | T | B | 0.1262 | |
| 24 | G | B | 0.1631 | |
| 25 | W | B | 0.1363 | |
| 26 | Y | B | 0.0000 | |
| 27 | T | B | 0.0000 | |
| 28 | N | B | 0.0000 | |
| 29 | V | B | 0.0000 | |
| 30 | F | B | 0.0000 | |
| 31 | T | B | 0.0000 | |
| 32 | L | B | 0.0000 | |
| 33 | E | B | -1.2975 | |
| 34 | V | B | 0.0000 | |
| 35 | G | B | 0.0000 | |
| 36 | D | B | -2.8462 | |
| 37 | V | B | 0.0000 | |
| 38 | E | B | -3.2540 | |
| 39 | N | B | -2.6622 | |
| 40 | L | B | 0.0000 | |
| 41 | T | B | -1.8183 | |
| 42 | C | B | -1.6583 | |
| 43 | A | B | -1.2871 | |
| 44 | D | B | -1.8056 | |
| 45 | G | B | -1.0461 | |
| 46 | P | B | -0.7913 | |
| 47 | S | B | -0.9490 | |
| 48 | L | B | 0.0000 | |
| 49 | I | B | 0.0000 | |
| 50 | K | B | -1.4366 | |
| 51 | T | B | -0.6833 | |
| 52 | E | B | 0.0000 | |
| 53 | L | B | 0.0000 | |
| 54 | D | B | -2.0220 | |
| 55 | L | B | -0.6086 | |
| 56 | T | B | 0.0000 | |
| 57 | K | B | -1.8748 | |
| 58 | S | B | -1.0400 | |
| 59 | A | B | 0.0000 | |
| 60 | L | B | 0.0000 | |
| 61 | R | B | -2.0048 | |
| 62 | I | B | 0.0000 | mutated: EI62B |
| 63 | L | B | 0.0000 | |
| 64 | K | B | -2.2806 | |
| 65 | T | B | -1.6124 | |
| 66 | V | B | 0.0000 | |
| 67 | S | B | -0.9128 | |
| 68 | A | B | 0.0000 | |
| 69 | D | B | -1.0731 | |
| 70 | Q | B | 0.0000 | |
| 71 | L | B | -0.1285 | |
| 72 | G | B | -0.6748 | |
| 73 | G | B | -0.8738 | |
| 74 | G | B | -0.8735 | |
| 75 | G | B | -0.8521 | |
| 76 | S | B | -0.9631 | |
| 77 | A | B | -0.4702 | |
| 78 | T | B | -0.3057 | |
| 79 | A | B | -0.3936 | |
| 80 | A | B | 0.1226 | |
| 81 | A | B | 0.0000 | |
| 82 | V | B | 0.0000 | |
| 83 | T | B | -0.0967 | |
| 84 | A | B | 0.0000 | |
| 85 | G | B | 0.0000 | |
| 86 | V | B | 0.0000 | |
| 87 | A | B | 0.0000 | |
| 88 | I | B | 0.0000 | |
| 89 | A | B | 0.0000 | |
| 90 | K | B | -0.7779 | |
| 91 | C | B | -0.2484 | |
| 92 | I | B | 0.0000 | |
| 93 | R | B | -0.2227 | |
| 94 | L | B | 0.4285 | |
| 95 | P | B | 0.0270 | |
| 96 | S | B | -0.2547 | |
| 97 | E | B | -0.3416 | |
| 98 | V | B | 0.0000 | |
| 99 | T | B | -0.5555 | |
| 100 | A | B | -0.6033 | |
| 101 | I | B | 0.0000 | |
| 102 | K | B | -1.6591 | |
| 103 | N | B | -2.0741 | |
| 104 | A | B | -1.3606 | |
| 105 | L | B | -1.9791 | |
| 106 | K | B | -3.1964 | |
| 107 | K | B | -3.0136 | |
| 108 | T | B | -2.1312 | |
| 109 | N | B | -2.0711 | |
| 110 | E | B | -1.2796 | |
| 111 | A | B | -0.0743 | |
| 112 | V | B | 1.3945 | |
| 113 | S | B | 0.4301 | |
| 114 | T | B | -0.1886 | |
| 115 | L | B | 0.0000 | |
| 116 | G | B | -0.5099 | |
| 117 | C | B | -0.6542 | |
| 118 | G | B | -0.8790 | |
| 119 | V | B | -0.8397 | |
| 120 | R | B | -0.7477 | |
| 121 | V | B | 0.0000 | |
| 122 | L | B | 0.0000 | |
| 123 | A | B | 0.0000 | |
| 124 | T | B | 0.0000 | |
| 125 | A | B | 0.0000 | |
| 126 | V | B | 0.0000 | |
| 127 | P | B | -1.7356 | |
| 128 | E | B | -2.2991 | |
| 129 | L | B | 0.0000 | |
| 130 | K | B | -2.4654 | |
| 131 | D | B | -2.5766 | |
| 132 | F | B | 0.0000 | |
| 133 | V | B | 0.0000 | |
| 134 | S | B | -2.6350 | |
| 135 | K | B | -3.0841 | |
| 136 | N | B | -2.6867 | |
| 137 | L | B | 0.0000 | |
| 138 | T | B | -2.5312 | |
| 139 | R | B | -3.0973 | |
| 140 | A | B | -2.3238 | |
| 141 | I | B | 0.0000 | |
| 142 | N | B | -3.0148 | |
| 143 | K | B | -3.2006 | |
| 144 | N | B | -2.7497 | |
| 145 | K | B | -2.7048 | |
| 146 | C | B | 0.0000 | |
| 147 | D | B | -1.5256 | |
| 148 | I | B | -1.0962 | |
| 149 | P | B | -1.0043 | |
| 150 | D | B | -1.4831 | |
| 151 | L | B | -0.8339 | |
| 152 | K | B | -0.9244 | |
| 153 | M | B | -0.6134 | |
| 154 | A | B | 0.0000 | |
| 155 | V | B | -0.0631 | |
| 156 | S | B | -0.0719 | |
| 157 | F | B | 0.0000 | |
| 158 | S | B | 0.0024 | |
| 159 | Q | B | 0.0289 | |
| 160 | F | B | -0.0803 | |
| 161 | N | B | 0.0000 | |
| 162 | R | B | -0.5028 | |
| 163 | R | B | -0.5716 | |
| 164 | F | B | 0.0000 | |
| 165 | L | B | -0.2702 | |
| 166 | N | B | -0.6930 | |
| 167 | V | B | 0.0000 | |
| 168 | V | B | 0.0000 | |
| 169 | R | B | -1.0710 | |
| 170 | Q | B | -0.8455 | |
| 171 | F | B | 0.0000 | |
| 172 | F | B | 0.0000 | mutated: SF172B |
| 173 | D | B | -1.1273 | |
| 174 | N | B | -0.8766 | |
| 175 | A | B | 0.0000 | |
| 176 | G | B | 0.0000 | |
| 177 | I | B | 0.0000 | |
| 178 | T | B | 0.0000 | |
| 179 | P | B | -0.6002 | |
| 180 | A | B | 0.0000 | |
| 181 | I | B | 0.0000 | |
| 182 | T | B | -0.2015 | mutated: ST182B |
| 183 | L | B | 0.0562 | |
| 184 | D | B | 0.0000 | |
| 185 | L | B | 0.0000 | |
| 186 | M | B | 0.0000 | |
| 187 | T | B | -0.1825 | |
| 188 | D | B | 0.0000 | |
| 189 | A | B | -0.5378 | |
| 190 | E | B | -0.8298 | |
| 191 | L | B | 0.0000 | |
| 192 | A | B | -1.1117 | |
| 193 | R | B | -1.9420 | |
| 194 | A | B | 0.0000 | |
| 195 | V | B | 0.0000 | |
| 196 | S | B | -1.2208 | |
| 197 | N | B | -0.7473 | |
| 198 | M | B | 0.0000 | |
| 199 | P | B | -0.5036 | |
| 200 | T | B | -0.2943 | |
| 201 | S | B | -0.5182 | |
| 202 | A | B | -0.6608 | |
| 203 | G | B | -1.0285 | |
| 204 | Q | B | -1.0009 | |
| 205 | I | B | -1.1108 | |
| 206 | K | B | -2.1625 | |
| 207 | L | B | -1.3065 | |
| 208 | M | B | 0.0000 | |
| 209 | L | B | -1.5116 | |
| 210 | E | B | -2.4032 | |
| 211 | N | B | -1.2230 | |
| 212 | R | B | -0.9456 | |
| 213 | A | B | 0.0000 | |
| 214 | M | B | 0.0000 | |
| 215 | V | B | 0.0000 | |
| 216 | R | B | 0.0000 | |
| 217 | R | B | -0.7380 | |
| 218 | K | B | -0.5604 | |
| 219 | G | B | 0.0000 | |
| 220 | F | B | 0.0000 | |
| 221 | G | B | 0.0000 | |
| 222 | I | B | 0.0000 | |
| 223 | L | B | 0.0000 | |
| 224 | I | B | 0.0000 | |
| 225 | G | B | -0.3620 | |
| 226 | V | B | -0.4079 | |
| 227 | Y | B | -0.1142 | |
| 228 | G | B | -0.5444 | |
| 229 | S | B | -1.0566 | |
| 230 | S | B | 0.0000 | |
| 231 | V | B | 0.0000 | |
| 232 | I | B | 0.0000 | |
| 233 | Y | B | 0.0000 | |
| 234 | M | B | 0.0000 | |
| 235 | V | B | 0.0000 | |
| 236 | Q | B | 0.0000 | |
| 237 | L | B | 0.0000 | |
| 238 | P | B | 0.0000 | |
| 239 | I | B | 0.1423 | |
| 240 | F | B | 0.0000 | |
| 241 | G | B | 0.0153 | |
| 242 | V | B | -0.0483 | |
| 243 | I | B | -0.4141 | |
| 244 | D | B | -1.5956 | |
| 245 | T | B | -0.7776 | |
| 246 | P | B | -0.8799 | |
| 247 | C | B | 0.0000 | |
| 248 | W | B | 0.0000 | |
| 249 | I | B | 0.0000 | |
| 250 | V | B | 0.0000 | |
| 251 | K | B | -0.6063 | |
| 252 | A | B | 0.0000 | |
| 253 | A | B | 0.0000 | |
| 254 | P | B | 0.0000 | |
| 255 | S | B | 0.0000 | |
| 256 | C | B | -0.6777 | |
| 257 | S | B | -1.5401 | |
| 258 | E | B | -3.3714 | |
| 259 | K | B | -3.0148 | |
| 260 | K | B | -2.9349 | |
| 261 | G | B | -2.6308 | |
| 262 | N | B | -2.8090 | |
| 263 | Y | B | 0.0000 | |
| 264 | A | B | 0.0000 | |
| 265 | C | B | 0.0000 | |
| 266 | L | B | 0.0000 | |
| 267 | L | B | 0.2763 | |
| 268 | R | B | 0.0000 | |
| 269 | E | B | -0.6928 | |
| 270 | D | B | -0.8039 | |
| 271 | Q | B | -1.0576 | |
| 272 | G | B | -1.2677 | |
| 273 | W | B | 0.0000 | |
| 274 | Y | B | 0.0000 | |
| 275 | C | B | 0.0000 | |
| 276 | Q | B | -0.8599 | |
| 277 | N | B | 0.0000 | |
| 278 | A | B | -0.4472 | |
| 279 | G | B | -0.9443 | |
| 280 | S | B | -0.9471 | |
| 281 | T | B | 0.0000 | |
| 282 | V | B | 0.0000 | |
| 283 | Y | B | 0.1457 | |
| 284 | Y | B | 0.0000 | |
| 285 | P | B | -1.2017 | |
| 286 | N | B | -2.2458 | |
| 287 | E | B | -3.1789 | |
| 288 | K | B | -3.1110 | |
| 289 | D | B | -1.9419 | |
| 290 | C | B | 0.0000 | |
| 291 | E | B | -1.2690 | |
| 292 | T | B | 0.0000 | |
| 293 | R | B | 0.0000 | |
| 294 | G | B | -1.3863 | |
| 295 | D | B | -1.7004 | |
| 296 | H | B | -1.0354 | |
| 297 | V | B | 0.0000 | |
| 298 | F | B | 0.0000 | |
| 299 | C | B | 0.0000 | |
| 300 | D | B | 0.0000 | |
| 301 | T | B | 0.0000 | |
| 302 | A | B | 0.2354 | |
| 303 | A | B | -0.2255 | |
| 304 | G | B | 0.1774 | |
| 305 | I | B | 0.8428 | |
| 306 | N | B | 0.0730 | |
| 307 | V | B | -0.1342 | |
| 308 | A | B | -1.3251 | |
| 309 | E | B | -2.6031 | |
| 310 | Q | B | -2.2476 | |
| 311 | S | B | -1.4430 | |
| 312 | K | B | -1.4859 | |
| 313 | E | B | -1.4273 | |
| 314 | C | B | 0.0000 | |
| 315 | N | B | 0.0000 | |
| 316 | I | B | 1.0936 | |
| 317 | N | B | -0.8342 | |
| 318 | I | B | 0.0000 | |
| 319 | S | B | -0.5341 | |
| 320 | T | B | -0.6611 | |
| 321 | T | B | -1.0959 | |
| 322 | N | B | -1.5794 | |
| 323 | Y | B | -1.3047 | |
| 324 | P | B | -0.6897 | |
| 325 | C | B | 0.0000 | |
| 326 | K | B | -0.5392 | |
| 327 | V | B | 0.0000 | |
| 328 | S | B | 0.3386 | |
| 329 | T | B | 0.0000 | |
| 330 | G | B | -0.1799 | |
| 331 | R | B | -0.9833 | |
| 332 | N | B | -1.0185 | |
| 333 | P | B | -0.6572 | |
| 334 | I | B | 0.6237 | |
| 335 | S | B | 0.0000 | |
| 336 | M | B | 0.7385 | |
| 337 | V | B | 0.6556 | |
| 338 | A | B | 0.1814 | |
| 339 | L | B | 0.1901 | |
| 340 | S | B | 0.0000 | |
| 341 | P | B | 0.0000 | |
| 342 | L | B | 0.0000 | |
| 343 | G | B | 0.0000 | |
| 344 | A | B | 0.0000 | |
| 345 | L | B | 0.0000 | |
| 346 | V | B | 0.0000 | |
| 347 | A | B | 0.0000 | |
| 348 | C | B | 0.0000 | |
| 349 | Y | B | 0.0000 | |
| 350 | K | B | -2.4015 | |
| 351 | G | B | -1.5597 | |
| 352 | V | B | -0.9347 | |
| 353 | S | B | -1.3836 | |
| 354 | C | B | 0.0000 | |
| 355 | S | B | 0.0000 | |
| 356 | I | B | 0.0000 | |
| 357 | G | B | 0.0000 | |
| 358 | S | B | -0.3035 | |
| 359 | N | B | -0.8766 | |
| 360 | R | B | -1.1310 | |
| 361 | V | B | 1.2618 | |
| 362 | G | B | 0.9232 | |
| 363 | I | B | 1.8837 | |
| 364 | I | B | 1.2036 | |
| 365 | K | B | -1.0685 | |
| 366 | Q | B | -1.7849 | |
| 367 | L | B | -1.7035 | |
| 368 | N | B | -2.4741 | |
| 369 | K | B | -2.7883 | |
| 370 | G | B | -1.5655 | |
| 371 | C | B | -0.4376 | |
| 372 | S | B | -0.4081 | |
| 373 | Y | B | 0.3887 | |
| 374 | I | B | 0.0000 | |
| 375 | T | B | -1.3572 | |
| 376 | N | B | 0.0000 | |
| 377 | Q | B | -2.4424 | |
| 378 | D | B | -2.2799 | |
| 379 | A | B | 0.0000 | |
| 380 | D | B | -0.8414 | |
| 381 | T | B | 0.0685 | |
| 382 | V | B | 0.0000 | |
| 383 | T | B | 0.1500 | |
| 384 | I | B | 0.0000 | |
| 385 | D | B | -0.9079 | |
| 386 | N | B | -0.7849 | |
| 387 | T | B | 0.0000 | |
| 388 | V | B | 0.5243 | |
| 389 | Y | B | 0.3609 | |
| 390 | Q | B | -0.1184 | |
| 391 | L | B | 0.0000 | |
| 392 | S | B | 0.0000 | |
| 393 | K | B | -1.2822 | |
| 394 | V | B | -1.3028 | |
| 395 | E | B | -2.4939 | |
| 396 | G | B | -2.3934 | |
| 397 | E | B | -2.9355 | |
| 398 | Q | B | -1.5188 | |
| 399 | H | B | -0.3814 | |
| 400 | V | B | 1.3812 | |
| 401 | I | B | 1.2617 | |
| 402 | K | B | -1.2846 | |
| 403 | G | B | -1.5483 | |
| 404 | R | B | -2.5378 | |
| 405 | P | B | -1.5084 | |
| 406 | V | B | 0.0000 | |
| 407 | S | B | 0.0000 | |
| 408 | S | B | -1.1267 | |
| 409 | S | B | -0.6706 | |
| 410 | F | B | 0.0000 | |
| 411 | D | B | -1.2193 | |
| 412 | P | B | 0.0000 | |
| 413 | V | B | -0.5531 | |
| 414 | K | B | -1.3007 | |
| 415 | F | B | 0.0000 | |
| 416 | P | B | -0.4788 | |
| 417 | P | B | -0.5016 | mutated: QP417B |
| 418 | D | B | -0.2334 | |
| 419 | Q | B | 0.4087 | |
| 420 | F | B | 1.4520 | |
| 421 | N | B | 0.2240 | |
| 422 | V | B | 0.0000 | |
| 423 | A | B | 0.0000 | |
| 424 | L | B | 0.0000 | |
| 425 | P | B | -0.5139 | |
| 426 | Q | B | 0.0000 | |
| 427 | V | B | 0.0000 | |
| 428 | F | B | -0.6221 | |
| 429 | E | B | -1.7214 | |
| 430 | N | B | -1.5353 | |
| 431 | I | B | -1.7072 | |
| 432 | E | B | -2.4881 | |
| 433 | N | B | -2.1472 | |
| 434 | S | B | -1.5645 | |
| 435 | Q | B | -1.6346 | |
| 436 | A | B | -1.3089 | |
| 437 | W | B | -0.8772 | |
| 438 | V | B | -0.6051 | |
| 439 | D | B | -1.7377 | |
| 440 | K | B | -1.9216 | |
| 441 | F | B | 0.0000 | |
| 442 | N | B | -2.3411 | |
| 443 | R | B | -2.8984 | |
| 444 | I | B | 0.0000 | |
| 445 | L | B | -2.1373 | |
| 446 | S | B | -2.2246 | |
| 447 | S | B | -2.6315 | |
| 448 | A | B | -2.6899 | |
| 449 | E | B | -3.4417 | |
| 450 | K | B | -3.4081 | |
| 451 | G | B | -3.3146 | |
| 452 | N | B | -3.3084 | |
| 453 | T | B | -1.8684 | |
| 1 | L | C | -1.6061 | |
| 2 | K | C | -2.4611 | |
| 3 | E | C | 0.0000 | |
| 4 | S | C | 0.0000 | |
| 5 | Y | C | 0.0000 | |
| 6 | L | C | 0.0000 | |
| 7 | E | C | -0.8331 | |
| 8 | E | C | -1.3146 | |
| 9 | S | C | 0.0000 | |
| 10 | C | C | 0.0000 | |
| 11 | S | C | 0.0000 | |
| 12 | T | C | 0.0000 | |
| 13 | I | C | 0.0000 | |
| 14 | T | C | 0.0000 | |
| 15 | E | C | -1.6927 | |
| 16 | G | C | -1.4131 | |
| 17 | Y | C | 0.0000 | |
| 18 | L | C | -0.9130 | |
| 19 | S | C | 0.0000 | |
| 20 | V | C | 0.0000 | |
| 21 | L | C | 0.0000 | |
| 22 | R | C | 0.0000 | |
| 23 | T | C | 0.1193 | |
| 24 | G | C | 0.1438 | |
| 25 | W | C | 0.1435 | |
| 26 | Y | C | 0.0000 | |
| 27 | T | C | 0.0000 | |
| 28 | N | C | 0.0000 | |
| 29 | V | C | 0.0000 | |
| 30 | F | C | 0.0000 | |
| 31 | T | C | 0.0000 | |
| 32 | L | C | 0.0000 | |
| 33 | E | C | -1.2095 | |
| 34 | V | C | 0.0000 | |
| 35 | G | C | 0.0000 | |
| 36 | D | C | -2.8456 | |
| 37 | V | C | 0.0000 | |
| 38 | E | C | -3.2179 | |
| 39 | N | C | -2.6626 | |
| 40 | L | C | 0.0000 | |
| 41 | T | C | -1.8096 | |
| 42 | C | C | -1.6646 | |
| 43 | A | C | -1.3243 | |
| 44 | D | C | -1.8329 | |
| 45 | G | C | -1.0634 | |
| 46 | P | C | -0.7815 | |
| 47 | S | C | 0.0000 | |
| 48 | L | C | 0.0000 | |
| 49 | I | C | 0.0000 | |
| 50 | K | C | -1.3772 | |
| 51 | T | C | -0.5793 | |
| 52 | E | C | 0.0000 | |
| 53 | L | C | 0.0000 | |
| 54 | D | C | -1.6977 | |
| 55 | L | C | -0.4503 | |
| 56 | T | C | 0.0000 | |
| 57 | K | C | -1.7605 | |
| 58 | S | C | -0.9422 | |
| 59 | A | C | 0.0000 | |
| 60 | L | C | 0.0000 | |
| 61 | R | C | -2.0104 | |
| 62 | I | C | 0.0000 | mutated: EI62C |
| 63 | L | C | 0.0000 | |
| 64 | K | C | -2.2800 | |
| 65 | T | C | -1.6078 | |
| 66 | V | C | 0.0000 | |
| 67 | S | C | -0.9762 | |
| 68 | A | C | 0.0000 | |
| 69 | D | C | -1.3266 | |
| 70 | Q | C | 0.0000 | |
| 71 | L | C | -0.3295 | |
| 72 | G | C | -1.0129 | |
| 73 | G | C | -1.0554 | |
| 74 | G | C | -0.9313 | |
| 75 | G | C | -0.8531 | |
| 76 | S | C | -0.9063 | |
| 77 | A | C | -0.4564 | |
| 78 | T | C | -0.2703 | |
| 79 | A | C | -0.5187 | |
| 80 | A | C | 0.1377 | |
| 81 | A | C | 0.0000 | |
| 82 | V | C | 0.0000 | |
| 83 | T | C | 0.0000 | |
| 84 | A | C | 0.0000 | |
| 85 | G | C | 0.0000 | |
| 86 | V | C | -0.3011 | |
| 87 | A | C | 0.0000 | |
| 88 | I | C | 0.0000 | |
| 89 | A | C | 0.0000 | |
| 90 | K | C | -0.9252 | |
| 91 | C | C | 0.0000 | |
| 92 | I | C | 0.0000 | |
| 93 | R | C | -0.2389 | |
| 94 | L | C | 0.3857 | |
| 95 | P | C | 0.0247 | |
| 96 | S | C | -0.2563 | |
| 97 | E | C | -0.3095 | |
| 98 | V | C | 0.0000 | |
| 99 | T | C | -0.4630 | |
| 100 | A | C | -0.4937 | |
| 101 | I | C | 0.0000 | |
| 102 | K | C | -1.4628 | |
| 103 | N | C | -1.7652 | |
| 104 | A | C | -1.1359 | |
| 105 | L | C | -1.6990 | |
| 106 | K | C | -2.9869 | |
| 107 | K | C | -2.8423 | |
| 108 | T | C | -1.8106 | |
| 109 | N | C | -1.5050 | |
| 110 | E | C | -0.8413 | |
| 111 | A | C | 0.1098 | |
| 112 | V | C | 1.4647 | |
| 113 | S | C | 0.5257 | |
| 114 | T | C | -0.0553 | |
| 115 | L | C | 0.0000 | |
| 116 | G | C | -0.4819 | |
| 117 | C | C | -0.6356 | |
| 118 | G | C | -0.8111 | |
| 119 | V | C | -0.7041 | |
| 120 | R | C | -0.4449 | |
| 121 | V | C | 0.0000 | |
| 122 | L | C | 0.0000 | |
| 123 | A | C | 0.0000 | |
| 124 | T | C | 0.0000 | |
| 125 | A | C | 0.0000 | |
| 126 | V | C | 0.0000 | |
| 127 | P | C | -1.5391 | |
| 128 | E | C | -2.1024 | |
| 129 | L | C | 0.0000 | |
| 130 | K | C | -2.3183 | |
| 131 | D | C | -2.3727 | |
| 132 | F | C | 0.0000 | |
| 133 | V | C | 0.0000 | |
| 134 | S | C | -2.5425 | |
| 135 | K | C | -2.9401 | |
| 136 | N | C | -2.4136 | |
| 137 | L | C | 0.0000 | |
| 138 | T | C | -2.4656 | |
| 139 | R | C | -3.0212 | |
| 140 | A | C | -2.2546 | |
| 141 | I | C | 0.0000 | |
| 142 | N | C | -3.0660 | |
| 143 | K | C | -3.2562 | |
| 144 | N | C | -2.8371 | |
| 145 | K | C | -2.8604 | |
| 146 | C | C | 0.0000 | |
| 147 | D | C | -1.5019 | |
| 148 | I | C | -1.0442 | |
| 149 | P | C | -0.9166 | |
| 150 | D | C | -1.3836 | |
| 151 | L | C | -0.8260 | |
| 152 | K | C | -1.1290 | |
| 153 | M | C | -0.6437 | |
| 154 | A | C | 0.0000 | |
| 155 | V | C | -0.1021 | |
| 156 | S | C | -0.1041 | |
| 157 | F | C | 0.0000 | |
| 158 | S | C | 0.0949 | |
| 159 | Q | C | 0.0634 | |
| 160 | F | C | 0.0487 | |
| 161 | N | C | 0.0000 | |
| 162 | R | C | -0.5189 | |
| 163 | R | C | -0.5680 | |
| 164 | F | C | 0.0000 | |
| 165 | L | C | -0.2172 | |
| 166 | N | C | -0.6377 | |
| 167 | V | C | 0.0000 | |
| 168 | V | C | 0.0000 | |
| 169 | R | C | -0.8828 | |
| 170 | Q | C | -0.7587 | |
| 171 | F | C | 0.0000 | |
| 172 | F | C | 0.0000 | mutated: SF172C |
| 173 | D | C | -0.9607 | |
| 174 | N | C | -0.7609 | |
| 175 | A | C | 0.0000 | |
| 176 | G | C | 0.0000 | |
| 177 | I | C | 0.0000 | |
| 178 | T | C | 0.0000 | |
| 179 | P | C | -0.5893 | |
| 180 | A | C | -0.5090 | |
| 181 | I | C | 0.0000 | |
| 182 | T | C | -0.3907 | mutated: ST182C |
| 183 | L | C | -0.1552 | |
| 184 | D | C | 0.0000 | |
| 185 | L | C | 0.0000 | |
| 186 | M | C | 0.0000 | |
| 187 | T | C | -0.0999 | |
| 188 | D | C | 0.0000 | |
| 189 | A | C | -0.2838 | |
| 190 | E | C | -0.4889 | |
| 191 | L | C | 0.0000 | |
| 192 | A | C | -0.6944 | |
| 193 | R | C | -1.0860 | |
| 194 | A | C | 0.0000 | |
| 195 | V | C | 0.0000 | |
| 196 | S | C | -0.9395 | |
| 197 | N | C | -0.5946 | |
| 198 | M | C | 0.0000 | |
| 199 | P | C | -0.4825 | |
| 200 | T | C | -0.3027 | |
| 201 | S | C | -0.5174 | |
| 202 | A | C | -0.6580 | |
| 203 | G | C | -1.0382 | |
| 204 | Q | C | -1.0125 | |
| 205 | I | C | -1.1099 | |
| 206 | K | C | -2.1536 | |
| 207 | L | C | -1.2991 | |
| 208 | M | C | 0.0000 | |
| 209 | L | C | -1.4004 | |
| 210 | E | C | -2.3985 | |
| 211 | N | C | -1.2299 | |
| 212 | R | C | -0.9512 | |
| 213 | A | C | 0.0000 | |
| 214 | M | C | 0.0000 | |
| 215 | V | C | 0.0000 | |
| 216 | R | C | 0.0000 | |
| 217 | R | C | -0.7652 | |
| 218 | K | C | -0.5241 | |
| 219 | G | C | 0.0000 | |
| 220 | F | C | 0.0000 | |
| 221 | G | C | 0.0000 | |
| 222 | I | C | 0.0000 | |
| 223 | L | C | 0.0000 | |
| 224 | I | C | 0.0000 | |
| 225 | G | C | -0.3489 | |
| 226 | V | C | -0.4113 | |
| 227 | Y | C | -0.1634 | |
| 228 | G | C | -0.5427 | |
| 229 | S | C | -1.0483 | |
| 230 | S | C | 0.0000 | |
| 231 | V | C | 0.0000 | |
| 232 | I | C | 0.0000 | |
| 233 | Y | C | 0.0000 | |
| 234 | M | C | 0.0000 | |
| 235 | V | C | 0.0000 | |
| 236 | Q | C | 0.0000 | |
| 237 | L | C | 0.0000 | |
| 238 | P | C | 0.0000 | |
| 239 | I | C | 0.1455 | |
| 240 | F | C | 0.0000 | |
| 241 | G | C | 0.0118 | |
| 242 | V | C | -0.1100 | |
| 243 | I | C | -0.5006 | |
| 244 | D | C | -1.7728 | |
| 245 | T | C | -0.9239 | |
| 246 | P | C | -0.9226 | |
| 247 | C | C | 0.0000 | |
| 248 | W | C | -0.4897 | |
| 249 | I | C | 0.0000 | |
| 250 | V | C | 0.0000 | |
| 251 | K | C | -0.3858 | |
| 252 | A | C | 0.0000 | |
| 253 | A | C | 0.0000 | |
| 254 | P | C | 0.0000 | |
| 255 | S | C | 0.0000 | |
| 256 | C | C | -0.6216 | |
| 257 | S | C | -1.4930 | |
| 258 | E | C | -3.2807 | |
| 259 | K | C | -2.9115 | |
| 260 | K | C | -2.8634 | |
| 261 | G | C | -2.5483 | |
| 262 | N | C | -2.6225 | |
| 263 | Y | C | 0.0000 | |
| 264 | A | C | 0.0000 | |
| 265 | C | C | 0.0000 | |
| 266 | L | C | 0.0000 | |
| 267 | L | C | 0.1817 | |
| 268 | R | C | 0.0000 | |
| 269 | E | C | -0.7746 | |
| 270 | D | C | -0.7350 | |
| 271 | Q | C | -0.8396 | |
| 272 | G | C | 0.0000 | |
| 273 | W | C | 0.0000 | |
| 274 | Y | C | 0.0000 | |
| 275 | C | C | 0.0000 | |
| 276 | Q | C | -1.0520 | |
| 277 | N | C | 0.0000 | |
| 278 | A | C | -0.4680 | |
| 279 | G | C | -0.9539 | |
| 280 | S | C | -0.9596 | |
| 281 | T | C | 0.0000 | |
| 282 | V | C | 0.0000 | |
| 283 | Y | C | 0.0968 | |
| 284 | Y | C | 0.0000 | |
| 285 | P | C | -0.9557 | |
| 286 | N | C | -1.7727 | |
| 287 | E | C | -2.0020 | |
| 288 | K | C | -2.4161 | |
| 289 | D | C | 0.0000 | |
| 290 | C | C | 0.0000 | |
| 291 | E | C | 0.0000 | |
| 292 | T | C | 0.0000 | |
| 293 | R | C | 0.0000 | |
| 294 | G | C | -1.0890 | |
| 295 | D | C | -1.5202 | |
| 296 | H | C | -0.9569 | |
| 297 | V | C | 0.0000 | |
| 298 | F | C | 0.0000 | |
| 299 | C | C | 0.0000 | |
| 300 | D | C | 0.0000 | |
| 301 | T | C | 0.0000 | |
| 302 | A | C | 0.2320 | |
| 303 | A | C | -0.2097 | |
| 304 | G | C | 0.1539 | |
| 305 | I | C | 0.7875 | |
| 306 | N | C | 0.0534 | |
| 307 | V | C | -0.1782 | |
| 308 | A | C | -1.3029 | |
| 309 | E | C | -2.5465 | |
| 310 | Q | C | -2.1663 | |
| 311 | S | C | -1.6055 | |
| 312 | K | C | -2.0341 | |
| 313 | E | C | -1.5473 | |
| 314 | C | C | 0.0000 | |
| 315 | N | C | 0.0000 | |
| 316 | I | C | 1.0035 | |
| 317 | N | C | -0.8595 | |
| 318 | I | C | 0.0000 | |
| 319 | S | C | -0.5149 | |
| 320 | T | C | -0.6381 | |
| 321 | T | C | -1.1083 | |
| 322 | N | C | -1.5438 | |
| 323 | Y | C | -1.3443 | |
| 324 | P | C | -0.7088 | |
| 325 | C | C | 0.0000 | |
| 326 | K | C | -0.6260 | |
| 327 | V | C | 0.0000 | |
| 328 | S | C | -0.0033 | |
| 329 | T | C | 0.0000 | |
| 330 | G | C | -0.2371 | |
| 331 | R | C | -0.8163 | |
| 332 | N | C | -0.8234 | |
| 333 | P | C | -0.5539 | |
| 334 | I | C | 0.7086 | |
| 335 | S | C | 0.0000 | |
| 336 | M | C | 0.7709 | |
| 337 | V | C | 0.6904 | |
| 338 | A | C | 0.2371 | |
| 339 | L | C | 0.2475 | |
| 340 | S | C | 0.0000 | |
| 341 | P | C | 0.0000 | |
| 342 | L | C | 0.0000 | |
| 343 | G | C | 0.0000 | |
| 344 | A | C | 0.0000 | |
| 345 | L | C | 0.0000 | |
| 346 | V | C | 0.0000 | |
| 347 | A | C | 0.0000 | |
| 348 | C | C | 0.0000 | |
| 349 | Y | C | 0.0000 | |
| 350 | K | C | -2.3750 | |
| 351 | G | C | -1.5747 | |
| 352 | V | C | -0.9190 | |
| 353 | S | C | -1.4030 | |
| 354 | C | C | 0.0000 | |
| 355 | S | C | -0.6041 | |
| 356 | I | C | 0.0000 | |
| 357 | G | C | 0.0000 | |
| 358 | S | C | -0.3236 | |
| 359 | N | C | -0.9349 | |
| 360 | R | C | -1.1385 | |
| 361 | V | C | 1.2884 | |
| 362 | G | C | 0.9316 | |
| 363 | I | C | 1.8834 | |
| 364 | I | C | 1.1844 | |
| 365 | K | C | -1.0916 | |
| 366 | Q | C | -1.8472 | |
| 367 | L | C | 0.0000 | |
| 368 | N | C | -2.4974 | |
| 369 | K | C | -2.7152 | |
| 370 | G | C | -1.5360 | |
| 371 | C | C | -0.4330 | |
| 372 | S | C | -0.4232 | |
| 373 | Y | C | 0.3822 | |
| 374 | I | C | 0.0000 | |
| 375 | T | C | -1.3435 | |
| 376 | N | C | 0.0000 | |
| 377 | Q | C | -2.4447 | |
| 378 | D | C | -2.2964 | |
| 379 | A | C | 0.0000 | |
| 380 | D | C | -1.0752 | |
| 381 | T | C | 0.0711 | |
| 382 | V | C | 0.0000 | |
| 383 | T | C | 0.0000 | |
| 384 | I | C | 0.0000 | |
| 385 | D | C | -0.9069 | |
| 386 | N | C | -0.7904 | |
| 387 | T | C | 0.0000 | |
| 388 | V | C | 0.6619 | |
| 389 | Y | C | 0.4282 | |
| 390 | Q | C | -0.0792 | |
| 391 | L | C | 0.0000 | |
| 392 | S | C | 0.0000 | |
| 393 | K | C | -1.1751 | |
| 394 | V | C | -1.2084 | |
| 395 | E | C | -2.4531 | |
| 396 | G | C | -2.3320 | |
| 397 | E | C | -2.8409 | |
| 398 | Q | C | -1.4252 | |
| 399 | H | C | -0.2293 | |
| 400 | V | C | 1.4798 | |
| 401 | I | C | 1.2976 | |
| 402 | K | C | -1.2686 | |
| 403 | G | C | -1.5513 | |
| 404 | R | C | -2.5434 | |
| 405 | P | C | -1.5143 | |
| 406 | V | C | 0.0000 | |
| 407 | S | C | 0.0000 | |
| 408 | S | C | -1.1206 | |
| 409 | S | C | -0.6692 | |
| 410 | F | C | 0.0000 | |
| 411 | D | C | -1.1795 | |
| 412 | P | C | 0.0000 | |
| 413 | V | C | -0.4559 | |
| 414 | K | C | -1.3130 | |
| 415 | F | C | 0.0000 | |
| 416 | P | C | -0.4671 | |
| 417 | P | C | -0.5900 | mutated: QP417C |
| 418 | D | C | -0.1549 | |
| 419 | Q | C | 0.2432 | |
| 420 | F | C | 0.8265 | |
| 421 | N | C | -0.0843 | |
| 422 | V | C | 0.0000 | |
| 423 | A | C | 0.0000 | |
| 424 | L | C | 0.0000 | |
| 425 | P | C | -0.4981 | |
| 426 | Q | C | 0.0000 | |
| 427 | V | C | 0.0000 | |
| 428 | F | C | -0.5982 | |
| 429 | E | C | -1.6294 | |
| 430 | N | C | -1.4947 | |
| 431 | I | C | -1.6857 | |
| 432 | E | C | -2.4804 | |
| 433 | N | C | -2.1856 | |
| 434 | S | C | -1.5871 | |
| 435 | Q | C | -1.6546 | |
| 436 | A | C | -1.3290 | |
| 437 | W | C | -0.8900 | |
| 438 | V | C | -0.5701 | |
| 439 | D | C | -1.6698 | |
| 440 | K | C | -1.8634 | |
| 441 | F | C | 0.0000 | |
| 442 | N | C | -2.2254 | |
| 443 | R | C | -2.8232 | |
| 444 | I | C | 0.0000 | |
| 445 | L | C | -1.8888 | |
| 446 | S | C | -2.1844 | |
| 447 | S | C | -2.5217 | |
| 448 | A | C | -2.5826 | |
| 449 | E | C | -3.3904 | |
| 450 | K | C | -3.3196 | |
| 451 | G | C | -3.2294 | |
| 452 | N | C | -3.3203 | |
| 453 | T | C | -1.8787 |
3Dmol can be expensive computationally for big molecules. If you experience lag or delay click on the "Play the video" button instead.
CABS-flex predictions of flexibility of input structure
In dynamic mode, A4D 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 A4D scores are provided below in the table.
The right panel presents comparison of the most aggregation prone model (with the highest A4D score, -0.6609 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 A4D Score |
|||
| input | -0.6609 | View | CSV | PDB |
| model_3 | -0.6672 | View | CSV | PDB |
| model_9 | -0.6694 | View | CSV | PDB |
| model_10 | -0.6705 | View | CSV | PDB |
| model_1 | -0.6824 | View | CSV | PDB |
| model_4 | -0.6848 | View | CSV | PDB |
| model_0 | -0.6855 | View | CSV | PDB |
| CABS_average | -0.6897 | View | CSV | PDB |
| model_2 | -0.6913 | View | CSV | PDB |
| model_7 | -0.6953 | View | CSV | PDB |
| model_6 | -0.6984 | View | CSV | PDB |
| model_5 | -0.7062 | View | CSV | PDB |
| model_11 | -0.7115 | View | CSV | PDB |
| model_8 | -0.714 | 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