Project name: MPV_A185P [mutate: DF149A, DF149C, DF149B]
Status: done
Started: 2025-12-10 04:42:26
| Chain sequence(s) |
A: LKESYLEESCSTITEGYLSVLRTGWYTNVFTLEVGDVENLTCADGPSLIKTELDLTKSALRELKTVSADQLGGGGSATAAAVTAGVAIAKTIRLESEVTAIKNALKKTNEAVSTLGNGVRVLATAVRELKDFVSKNLTRAINKNKCDIDDLKMAVSFSQFNRRFLNVVRQFSDNAGITPAISLDLMTDAELARAVSNMPTSAGQIKLMLENRAMVRRKGFGILIGVYGSSVIYMVQLPIFGVIDTPCWIVKAAPSCSEKKGNYACLLREDQGWYCQNAGSTVYYPNEKDCETRGDHVFCDTAAGINVAEQSKECNINISTTNYPCKVSTGRHPISMVALSPLGALVACYKGVSCSIGSNRVGIIKQLNKGCSYITNQDADTVTIDNTVYQLSKVEGEQHVIKGRPVSSSFDPVKFPEDQFNVALDQVFENIENSQALVDQSNRILSSAEKGNT
C: LKESYLEESCSTITEGYLSVLRTGWYTNVFTLEVGDVENLTCADGPSLIKTELDLTKSALRELKTVSADQLGGGGSATAAAVTAGVAIAKTIRLESEVTAIKNALKKTNEAVSTLGNGVRVLATAVRELKDFVSKNLTRAINKNKCDIDDLKMAVSFSQFNRRFLNVVRQFSDNAGITPAISLDLMTDAELARAVSNMPTSAGQIKLMLENRAMVRRKGFGILIGVYGSSVIYMVQLPIFGVIDTPCWIVKAAPSCSEKKGNYACLLREDQGWYCQNAGSTVYYPNEKDCETRGDHVFCDTAAGINVAEQSKECNINISTTNYPCKVSTGRHPISMVALSPLGALVACYKGVSCSIGSNRVGIIKQLNKGCSYITNQDADTVTIDNTVYQLSKVEGEQHVIKGRPVSSSFDPVKFPEDQFNVALDQVFENIENSQALVDQSNRILSSAEKGNT B: LKESYLEESCSTITEGYLSVLRTGWYTNVFTLEVGDVENLTCADGPSLIKTELDLTKSALRELKTVSADQLGGGGSATAAAVTAGVAIAKTIRLESEVTAIKNALKKTNEAVSTLGNGVRVLATAVRELKDFVSKNLTRAINKNKCDIDDLKMAVSFSQFNRRFLNVVRQFSDNAGITPAISLDLMTDAELARAVSNMPTSAGQIKLMLENRAMVRRKGFGILIGVYGSSVIYMVQLPIFGVIDTPCWIVKAAPSCSEKKGNYACLLREDQGWYCQNAGSTVYYPNEKDCETRGDHVFCDTAAGINVAEQSKECNINISTTNYPCKVSTGRHPISMVALSPLGALVACYKGVSCSIGSNRVGIIKQLNKGCSYITNQDADTVTIDNTVYQLSKVEGEQHVIKGRPVSSSFDPVKFPEDQFNVALDQVFENIENSQALVDQSNRILSSAEKGNT 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 | DF149C,DF149A,DF149B |
| Energy difference between WT (input) and mutated protein (by FoldX) | 1.1914 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] (00:00:01)
[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 minimization (00:00:02)
[INFO] FoldX: Building mutant model (00:30:16)
[INFO] CABS: Running CABS flex simulation (00:30:45)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (09:04:02)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (09:04:42)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (09:05:24)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (09:05:59)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (09:06:38)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (09:07:11)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (09:07:46)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (09:08:30)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (09:09:07)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (09:09:40)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (09:10:11)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (09:10:45)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (09:11:16)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (09:12:25)
[INFO] Main: Simulation completed successfully. (09:12:57)
|
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
- -4.352
- Maximal score value
- 1.9193
- Average score
- -0.6302
- Total score value
- -856.4202
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 | 0.0298 | |
| 2 | K | A | -1.4450 | |
| 3 | E | A | 0.0000 | |
| 4 | S | A | 0.0000 | |
| 5 | Y | A | 0.0000 | |
| 6 | L | A | 0.0000 | |
| 7 | E | A | -1.2338 | |
| 8 | E | A | -1.4813 | |
| 9 | S | A | 0.0000 | |
| 10 | C | A | 0.0000 | |
| 11 | S | A | 0.0000 | |
| 12 | T | A | 0.0000 | |
| 13 | I | A | 0.3381 | |
| 14 | T | A | 0.0000 | |
| 15 | E | A | -0.6320 | |
| 16 | G | A | -0.6359 | |
| 17 | Y | A | 0.0000 | |
| 18 | L | A | -0.8758 | |
| 19 | S | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | R | A | -0.2023 | |
| 23 | T | A | -0.0376 | |
| 24 | G | A | 0.1016 | |
| 25 | W | A | 0.0990 | |
| 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 | 0.0000 | |
| 34 | V | A | 0.0000 | |
| 35 | G | A | -1.0943 | |
| 36 | D | A | -1.5098 | |
| 37 | V | A | 0.0000 | |
| 38 | E | A | -1.4591 | |
| 39 | N | A | -1.8692 | |
| 40 | L | A | 0.0000 | |
| 41 | T | A | -2.4093 | |
| 42 | C | A | 0.0000 | |
| 43 | A | A | -1.8848 | |
| 44 | D | A | -2.8914 | |
| 45 | G | A | -1.8314 | |
| 46 | P | A | -1.3785 | |
| 47 | S | A | -1.2797 | |
| 48 | L | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | K | A | -1.7118 | |
| 51 | T | A | -0.8459 | |
| 52 | E | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | D | A | -1.4076 | |
| 55 | L | A | 0.0000 | |
| 56 | T | A | 0.0000 | |
| 57 | K | A | -1.4254 | |
| 58 | S | A | -1.1406 | |
| 59 | A | A | 0.0000 | |
| 60 | L | A | -0.9506 | |
| 61 | R | A | -1.5169 | |
| 62 | E | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -1.6084 | |
| 65 | T | A | 0.0000 | |
| 66 | V | A | -0.4157 | |
| 67 | S | A | -0.5346 | |
| 68 | A | A | 0.0000 | |
| 69 | D | A | -0.7672 | |
| 70 | Q | A | -0.7145 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | 0.0000 | |
| 73 | G | A | 0.0000 | |
| 74 | G | A | 0.0000 | |
| 75 | G | A | 0.0000 | |
| 76 | S | A | -0.7167 | |
| 77 | A | A | -1.1331 | |
| 78 | T | A | 0.0000 | |
| 79 | A | A | 0.1948 | |
| 80 | A | A | 0.2636 | |
| 81 | A | A | 0.3736 | |
| 82 | V | A | 0.4380 | |
| 83 | T | A | 0.0000 | |
| 84 | A | A | 0.1500 | |
| 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 | -0.9419 | |
| 91 | T | A | 0.0000 | |
| 92 | I | A | 0.0000 | |
| 93 | R | A | -2.3300 | |
| 94 | L | A | -1.1327 | |
| 95 | E | A | -2.4149 | |
| 96 | S | A | -1.4483 | |
| 97 | E | A | -1.5787 | |
| 98 | V | A | 0.0000 | |
| 99 | T | A | -1.3096 | |
| 100 | A | A | -0.9200 | |
| 101 | I | A | 0.0000 | |
| 102 | K | A | -1.4929 | |
| 103 | N | A | -1.7913 | |
| 104 | A | A | -1.1294 | |
| 105 | L | A | 0.0000 | |
| 106 | K | A | -1.9941 | |
| 107 | K | A | -2.6908 | |
| 108 | T | A | -1.7125 | |
| 109 | N | A | -1.5952 | |
| 110 | E | A | -1.7885 | |
| 111 | A | A | -0.0497 | |
| 112 | V | A | 1.2444 | |
| 113 | S | A | 0.3350 | |
| 114 | T | A | -0.4024 | |
| 115 | L | A | 0.0000 | |
| 116 | G | A | -0.9759 | |
| 117 | N | A | -1.1909 | |
| 118 | G | A | -1.1023 | |
| 119 | V | A | -0.9336 | |
| 120 | R | A | -0.8444 | |
| 121 | V | A | 0.0000 | |
| 122 | L | A | -0.0503 | |
| 123 | A | A | 0.0000 | |
| 124 | T | A | 0.0000 | |
| 125 | A | A | 0.0000 | |
| 126 | V | A | -1.0082 | |
| 127 | R | A | -2.3019 | |
| 128 | E | A | -1.9549 | |
| 129 | L | A | 0.0000 | |
| 130 | K | A | -2.5025 | |
| 131 | D | A | -3.0596 | |
| 132 | F | A | -2.0054 | |
| 133 | V | A | 0.0000 | |
| 134 | S | A | -2.2223 | |
| 135 | K | A | -2.8501 | |
| 136 | N | A | -2.1984 | |
| 137 | L | A | 0.0000 | |
| 138 | T | A | -2.5636 | |
| 139 | R | A | -2.9271 | |
| 140 | A | A | -2.1414 | |
| 141 | I | A | 0.0000 | |
| 142 | N | A | -3.4198 | |
| 143 | K | A | -3.7081 | |
| 144 | N | A | -3.6840 | |
| 145 | K | A | -3.6707 | |
| 146 | C | A | 0.0000 | |
| 147 | D | A | -2.3475 | |
| 148 | I | A | -0.3323 | |
| 149 | F | A | 0.0000 | mutated: DF149A |
| 150 | D | A | -1.0005 | |
| 151 | L | A | -0.7702 | |
| 152 | K | A | -1.5864 | |
| 153 | M | A | 0.0000 | |
| 154 | A | A | 0.0000 | |
| 155 | V | A | -0.3420 | |
| 156 | S | A | -0.3619 | |
| 157 | F | A | 0.0000 | |
| 158 | S | A | -0.2220 | |
| 159 | Q | A | 0.0000 | |
| 160 | F | A | 0.0000 | |
| 161 | N | A | 0.0000 | |
| 162 | R | A | -0.5467 | |
| 163 | R | A | -0.8648 | |
| 164 | F | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | N | A | -0.8618 | |
| 167 | V | A | 0.0000 | |
| 168 | V | A | 0.0000 | |
| 169 | R | A | -0.8136 | |
| 170 | Q | A | -0.7790 | |
| 171 | F | A | 0.0000 | |
| 172 | S | A | 0.0000 | |
| 173 | D | A | -1.1018 | |
| 174 | N | A | -0.8380 | |
| 175 | A | A | -0.5309 | |
| 176 | G | A | 0.0000 | |
| 177 | I | A | 0.1958 | |
| 178 | T | A | 0.0000 | |
| 179 | P | A | 0.0086 | |
| 180 | A | A | -0.2099 | |
| 181 | I | A | 0.0000 | |
| 182 | S | A | -0.5070 | |
| 183 | L | A | 0.0000 | |
| 184 | D | A | -0.5992 | |
| 185 | L | A | -0.1833 | |
| 186 | M | A | 0.0000 | |
| 187 | T | A | -0.4733 | |
| 188 | D | A | -0.9227 | |
| 189 | A | A | -0.6948 | |
| 190 | E | A | -0.9525 | |
| 191 | L | A | 0.0000 | |
| 192 | A | A | -1.1757 | |
| 193 | R | A | -2.0960 | |
| 194 | A | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | S | A | -1.4768 | |
| 197 | N | A | -1.7317 | |
| 198 | M | A | -0.8617 | |
| 199 | P | A | -0.4231 | |
| 200 | T | A | -0.3846 | |
| 201 | S | A | -0.4609 | |
| 202 | A | A | -0.5332 | |
| 203 | G | A | -0.9108 | |
| 204 | Q | A | -0.7940 | |
| 205 | I | A | -1.1191 | |
| 206 | K | A | -2.0175 | |
| 207 | L | A | 0.0000 | |
| 208 | M | A | 0.0000 | |
| 209 | L | A | -1.0388 | |
| 210 | E | A | -1.8484 | |
| 211 | N | A | -1.3758 | |
| 212 | R | A | -1.2694 | |
| 213 | A | A | 0.0000 | |
| 214 | M | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | R | A | 0.0000 | |
| 217 | R | A | -0.6346 | |
| 218 | K | A | -0.4130 | |
| 219 | G | A | -0.0372 | |
| 220 | F | A | 0.4735 | |
| 221 | G | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | L | A | 0.0000 | |
| 224 | I | A | -0.0468 | |
| 225 | G | A | -0.0533 | |
| 226 | V | A | 0.3925 | |
| 227 | Y | A | 0.2999 | |
| 228 | G | A | -0.2236 | |
| 229 | S | A | -0.5960 | |
| 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 | 0.0000 | |
| 240 | F | A | 0.0000 | |
| 241 | G | A | 0.3248 | |
| 242 | V | A | 0.5423 | |
| 243 | I | A | -0.1374 | |
| 244 | D | A | -1.4355 | |
| 245 | T | A | 0.0000 | |
| 246 | P | A | -0.7704 | |
| 247 | C | A | 0.0000 | |
| 248 | W | A | -0.0452 | |
| 249 | I | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | K | A | -0.3529 | |
| 252 | A | A | 0.0000 | |
| 253 | A | A | 0.0000 | |
| 254 | P | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | C | A | -1.0667 | |
| 257 | S | A | -1.5619 | |
| 258 | E | A | -3.3498 | |
| 259 | K | A | -3.6314 | |
| 260 | K | A | -3.4092 | |
| 261 | G | A | -2.4090 | |
| 262 | N | A | -2.4270 | |
| 263 | Y | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | C | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | L | A | 0.6235 | |
| 268 | R | A | 0.0000 | |
| 269 | E | A | 0.0000 | |
| 270 | D | A | 0.0000 | |
| 271 | Q | A | -0.7691 | |
| 272 | G | A | 0.0000 | |
| 273 | W | A | 0.0000 | |
| 274 | Y | A | 0.0000 | |
| 275 | C | A | 0.0000 | |
| 276 | Q | A | -0.9861 | |
| 277 | N | A | -0.6666 | |
| 278 | A | A | -0.3215 | |
| 279 | G | A | -0.8766 | |
| 280 | S | A | -0.9853 | |
| 281 | T | A | -0.7654 | |
| 282 | V | A | 0.0000 | |
| 283 | Y | A | 0.0000 | |
| 284 | Y | A | -0.4368 | |
| 285 | P | A | -0.9854 | |
| 286 | N | A | -1.6169 | |
| 287 | E | A | -1.9579 | |
| 288 | K | A | -2.5385 | |
| 289 | D | A | -1.6650 | |
| 290 | C | A | 0.0000 | |
| 291 | E | A | -1.0783 | |
| 292 | T | A | -1.0101 | |
| 293 | R | A | -1.2786 | |
| 294 | G | A | -1.6391 | |
| 295 | D | A | -1.9475 | |
| 296 | H | A | -1.4319 | |
| 297 | V | A | 0.0000 | |
| 298 | F | A | 0.0000 | |
| 299 | C | A | 0.0000 | |
| 300 | D | A | -0.8855 | |
| 301 | T | A | 0.0000 | |
| 302 | A | A | -0.1416 | |
| 303 | A | A | -0.0087 | |
| 304 | G | A | 0.0130 | |
| 305 | I | A | 0.2807 | |
| 306 | N | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | A | A | -0.8320 | |
| 309 | E | A | -1.0502 | |
| 310 | Q | A | 0.0000 | |
| 311 | S | A | 0.0000 | |
| 312 | K | A | -0.6964 | |
| 313 | E | A | -0.2041 | |
| 314 | C | A | 0.0000 | |
| 315 | N | A | 0.0000 | |
| 316 | I | A | 0.2597 | |
| 317 | N | A | 0.2142 | |
| 318 | I | A | 1.3479 | |
| 319 | S | A | 0.3418 | |
| 320 | T | A | 0.1053 | |
| 321 | T | A | -0.0969 | |
| 322 | N | A | -0.3979 | |
| 323 | Y | A | 0.0000 | |
| 324 | P | A | -0.4932 | |
| 325 | C | A | -0.3776 | |
| 326 | K | A | -0.4545 | |
| 327 | V | A | 0.0000 | |
| 328 | S | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | G | A | 0.0000 | |
| 331 | R | A | -0.9638 | |
| 332 | H | A | -0.8306 | |
| 333 | P | A | -1.0690 | |
| 334 | I | A | 0.0000 | |
| 335 | S | A | 0.0000 | |
| 336 | M | A | 0.3175 | |
| 337 | V | A | 0.5395 | |
| 338 | A | A | 0.0000 | |
| 339 | L | A | 0.4377 | |
| 340 | S | A | 0.0000 | |
| 341 | P | A | 0.1498 | |
| 342 | L | A | -0.5928 | |
| 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 | -1.6529 | |
| 350 | K | A | -2.4854 | |
| 351 | G | A | -1.4629 | |
| 352 | V | A | -0.9703 | |
| 353 | S | A | -1.6335 | |
| 354 | C | A | 0.0000 | |
| 355 | S | A | -1.1868 | |
| 356 | I | A | 0.0000 | |
| 357 | G | A | -0.5632 | |
| 358 | S | A | 0.0000 | |
| 359 | N | A | -1.5230 | |
| 360 | R | A | -1.9903 | |
| 361 | V | A | 0.3380 | |
| 362 | G | A | -0.2215 | |
| 363 | I | A | 0.4456 | |
| 364 | I | A | 1.0466 | |
| 365 | K | A | -1.2137 | |
| 366 | Q | A | -1.8713 | |
| 367 | L | A | -1.7326 | |
| 368 | N | A | -2.7416 | |
| 369 | K | A | -2.6229 | |
| 370 | G | A | -1.6984 | |
| 371 | C | A | -0.7875 | |
| 372 | S | A | 0.0000 | |
| 373 | Y | A | 0.0264 | |
| 374 | I | A | 0.0000 | |
| 375 | T | A | 0.0000 | |
| 376 | N | A | -2.3869 | |
| 377 | Q | A | -2.4302 | |
| 378 | D | A | -1.6382 | |
| 379 | A | A | 0.0000 | |
| 380 | D | A | 0.0000 | |
| 381 | T | A | -0.6895 | |
| 382 | V | A | 0.0000 | |
| 383 | T | A | -0.5391 | |
| 384 | I | A | 0.0000 | |
| 385 | D | A | -1.8678 | |
| 386 | N | A | -0.9505 | |
| 387 | T | A | 0.0000 | |
| 388 | V | A | 0.0614 | |
| 389 | Y | A | 0.0000 | |
| 390 | Q | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | S | A | -1.1438 | |
| 393 | K | A | -2.3938 | |
| 394 | V | A | 0.0000 | |
| 395 | E | A | -2.2593 | |
| 396 | G | A | -1.9812 | |
| 397 | E | A | -2.5859 | |
| 398 | Q | A | -1.7959 | |
| 399 | H | A | -0.6929 | |
| 400 | V | A | 1.2554 | |
| 401 | I | A | 0.5938 | |
| 402 | K | A | -1.7061 | |
| 403 | G | A | -1.6853 | |
| 404 | R | A | -2.5147 | |
| 405 | P | A | -1.2388 | |
| 406 | V | A | -0.3457 | |
| 407 | S | A | 0.0000 | |
| 408 | S | A | -0.7656 | |
| 409 | S | A | -0.4660 | |
| 410 | F | A | 0.1928 | |
| 411 | D | A | -0.8381 | |
| 412 | P | A | -0.0062 | |
| 413 | V | A | 0.0000 | |
| 414 | K | A | 0.0000 | |
| 415 | F | A | 0.3703 | |
| 416 | P | A | 0.0353 | |
| 417 | E | A | 0.0000 | |
| 418 | D | A | -0.0059 | |
| 419 | Q | A | 0.0000 | |
| 420 | F | A | 0.7370 | |
| 421 | N | A | 0.0461 | |
| 422 | V | A | 0.0000 | |
| 423 | A | A | 0.0000 | |
| 424 | L | A | -0.1821 | |
| 425 | D | A | -1.2445 | |
| 426 | Q | A | 0.0000 | |
| 427 | V | A | 0.0000 | |
| 428 | F | A | 0.8504 | |
| 429 | E | A | -0.4636 | |
| 430 | N | A | 0.0000 | |
| 431 | I | A | -0.1633 | |
| 432 | E | A | -1.0677 | |
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| 435 | Q | A | -1.3973 | |
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| 451 | G | A | -2.2316 | |
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| 3 | E | B | 0.0000 | |
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| 7 | E | B | -1.2644 | |
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| 12 | T | B | 0.0000 | |
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| 14 | T | B | 0.0000 | |
| 15 | E | B | -1.3854 | |
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| 80 | A | B | 0.1695 | |
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| 83 | T | B | 0.0000 | |
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| 90 | K | B | -1.1351 | |
| 91 | T | B | -0.9305 | |
| 92 | I | B | 0.0000 | |
| 93 | R | B | -1.8893 | |
| 94 | L | B | -0.7347 | |
| 95 | E | B | -1.9821 | |
| 96 | S | B | -1.2040 | |
| 97 | E | B | -1.2081 | |
| 98 | V | B | 0.0000 | |
| 99 | T | B | -1.4258 | |
| 100 | A | B | -1.2162 | |
| 101 | I | B | 0.0000 | |
| 102 | K | B | -2.5893 | |
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| 105 | L | B | 0.0000 | |
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| 108 | T | B | -2.3253 | |
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| 111 | A | B | 0.0000 | |
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| 117 | N | B | -1.4452 | |
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| 128 | E | B | 0.0000 | |
| 129 | L | B | 0.0000 | |
| 130 | K | B | -2.2597 | |
| 131 | D | B | -2.2203 | |
| 132 | F | B | -1.2864 | |
| 133 | V | B | 0.0000 | |
| 134 | S | B | -1.8882 | |
| 135 | K | B | -1.8438 | |
| 136 | N | B | -1.8116 | |
| 137 | L | B | 0.0000 | |
| 138 | T | B | -2.3115 | |
| 139 | R | B | -3.1246 | |
| 140 | A | B | -2.6772 | |
| 141 | I | B | 0.0000 | |
| 142 | N | B | -3.6477 | |
| 143 | K | B | -3.7952 | |
| 144 | N | B | -3.2233 | |
| 145 | K | B | -3.5958 | |
| 146 | C | B | 0.0000 | |
| 147 | D | B | -2.6416 | |
| 148 | I | B | 0.0000 | |
| 149 | F | B | 0.7123 | mutated: DF149B |
| 150 | D | B | 0.0278 | |
| 151 | L | B | 0.0000 | |
| 152 | K | B | -0.3227 | |
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| 167 | V | B | 0.0000 | |
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| 169 | R | B | -0.7626 | |
| 170 | Q | B | -0.6890 | |
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| 175 | A | B | 0.0000 | |
| 176 | G | B | 0.0000 | |
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| 180 | A | B | 0.0000 | |
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| 182 | S | B | -0.7173 | |
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| 184 | D | B | -0.4387 | |
| 185 | L | B | 0.0000 | |
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| 189 | A | B | -0.8306 | |
| 190 | E | B | -1.1408 | |
| 191 | L | B | 0.0000 | |
| 192 | A | B | -1.5066 | |
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| 197 | N | B | -1.4412 | |
| 198 | M | B | 0.0000 | |
| 199 | P | B | -0.7968 | |
| 200 | T | B | -0.2994 | |
| 201 | S | B | -0.3665 | |
| 202 | A | B | -0.5797 | |
| 203 | G | B | -0.6708 | |
| 204 | Q | B | 0.0000 | |
| 205 | I | B | 0.0000 | |
| 206 | K | B | -1.7348 | |
| 207 | L | B | -0.6940 | |
| 208 | M | B | 0.0000 | |
| 209 | L | B | -0.6908 | |
| 210 | E | B | -1.1492 | |
| 211 | N | B | 0.0000 | |
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| 213 | A | B | 0.0000 | |
| 214 | M | B | 0.0000 | |
| 215 | V | B | 0.0000 | |
| 216 | R | B | 0.0000 | |
| 217 | R | B | -1.3804 | |
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| 219 | G | B | 0.0000 | |
| 220 | F | B | 0.0338 | |
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| 225 | G | B | 0.0000 | |
| 226 | V | B | -0.0956 | |
| 227 | Y | B | 0.0683 | |
| 228 | G | B | -0.4818 | |
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| 230 | S | B | -0.3724 | |
| 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 | |
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| 239 | I | B | 0.1861 | |
| 240 | F | B | 0.0000 | |
| 241 | G | B | 0.1205 | |
| 242 | V | B | 0.4012 | |
| 243 | I | B | -0.0609 | |
| 244 | D | B | -1.2809 | |
| 245 | T | B | 0.0000 | |
| 246 | P | B | -0.6760 | |
| 247 | C | B | 0.0000 | |
| 248 | W | B | 0.0000 | |
| 249 | I | B | 0.0000 | |
| 250 | V | B | 0.0000 | |
| 251 | K | B | 0.0000 | |
| 252 | A | B | 0.0000 | |
| 253 | A | B | 0.1586 | |
| 254 | P | B | 0.0000 | |
| 255 | S | B | 0.0000 | |
| 256 | C | B | -0.4788 | |
| 257 | S | B | -1.3013 | |
| 258 | E | B | -2.6764 | |
| 259 | K | B | -3.1457 | |
| 260 | K | B | -3.3091 | |
| 261 | G | B | -2.2186 | |
| 262 | N | B | -2.5660 | |
| 263 | Y | B | -1.7613 | |
| 264 | A | B | 0.0000 | |
| 265 | C | B | 0.0000 | |
| 266 | L | B | 0.0000 | |
| 267 | L | B | 0.3243 | |
| 268 | R | B | 0.0000 | |
| 269 | E | B | -0.3756 | |
| 270 | D | B | 0.0000 | |
| 271 | Q | B | -0.8973 | |
| 272 | G | B | 0.0000 | |
| 273 | W | B | 0.0000 | |
| 274 | Y | B | 0.0000 | |
| 275 | C | B | 0.0000 | |
| 276 | Q | B | -0.8662 | |
| 277 | N | B | -0.6187 | |
| 278 | A | B | -0.3842 | |
| 279 | G | B | -0.7407 | |
| 280 | S | B | -0.8892 | |
| 281 | T | B | 0.0000 | |
| 282 | V | B | 0.0000 | |
| 283 | Y | B | 0.0000 | |
| 284 | Y | B | -0.7105 | |
| 285 | P | B | -1.1917 | |
| 286 | N | B | -2.0215 | |
| 287 | E | B | -2.1298 | |
| 288 | K | B | -2.3505 | |
| 289 | D | B | 0.0000 | |
| 290 | C | B | 0.0000 | |
| 291 | E | B | -0.9828 | |
| 292 | T | B | 0.0000 | |
| 293 | R | B | -1.0960 | |
| 294 | G | B | -1.2529 | |
| 295 | D | B | -1.6381 | |
| 296 | H | B | 0.0000 | |
| 297 | V | B | 0.0000 | |
| 298 | F | B | 0.0000 | |
| 299 | C | B | 0.0000 | |
| 300 | D | B | -0.5469 | |
| 301 | T | B | 0.0000 | |
| 302 | A | B | 0.0563 | |
| 303 | A | B | -0.1490 | |
| 304 | G | B | -0.3168 | |
| 305 | I | B | 0.0000 | |
| 306 | N | B | -0.5388 | |
| 307 | V | B | 0.0000 | |
| 308 | A | B | -0.9069 | |
| 309 | E | B | -1.7547 | |
| 310 | Q | B | 0.0000 | |
| 311 | S | B | 0.0000 | |
| 312 | K | B | -0.9662 | |
| 313 | E | B | -1.0197 | |
| 314 | C | B | 0.0000 | |
| 315 | N | B | 0.0000 | |
| 316 | I | B | -0.3054 | |
| 317 | N | B | -1.2442 | |
| 318 | I | B | -0.4599 | |
| 319 | S | B | -0.5986 | |
| 320 | T | B | 0.0000 | |
| 321 | T | B | -0.8491 | |
| 322 | N | B | -1.0149 | |
| 323 | Y | B | 0.0000 | |
| 324 | P | B | 0.0000 | |
| 325 | C | B | 0.0000 | |
| 326 | K | B | -0.2249 | |
| 327 | V | B | 0.0000 | |
| 328 | S | B | 0.0000 | |
| 329 | T | B | 0.0248 | |
| 330 | G | B | -0.2153 | |
| 331 | R | B | -0.9761 | |
| 332 | H | B | 0.0000 | |
| 333 | P | B | 0.0000 | |
| 334 | I | B | 0.2413 | |
| 335 | S | B | 0.0000 | |
| 336 | M | B | 0.3150 | |
| 337 | V | B | 0.5027 | |
| 338 | A | B | 0.3172 | |
| 339 | L | B | 0.3340 | |
| 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 | -0.9735 | |
| 349 | Y | B | 0.0000 | |
| 350 | K | B | -1.7182 | |
| 351 | G | B | -1.2310 | |
| 352 | V | B | 0.0000 | |
| 353 | S | B | -1.5793 | |
| 354 | C | B | 0.0000 | |
| 355 | S | B | -0.9674 | |
| 356 | I | B | 0.0000 | |
| 357 | G | B | 0.2370 | |
| 358 | S | B | -0.0756 | |
| 359 | N | B | -0.6720 | |
| 360 | R | B | -1.4088 | |
| 361 | V | B | 0.5866 | |
| 362 | G | B | 0.4896 | |
| 363 | I | B | 1.6251 | |
| 364 | I | B | 1.7134 | |
| 365 | K | B | -0.4546 | |
| 366 | Q | B | -1.6744 | |
| 367 | L | B | 0.0000 | |
| 368 | N | B | -2.5929 | |
| 369 | K | B | -2.4812 | |
| 370 | G | B | -1.5453 | |
| 371 | C | B | -0.6966 | |
| 372 | S | B | -0.7182 | |
| 373 | Y | B | -0.0229 | |
| 374 | I | B | -0.0239 | |
| 375 | T | B | -0.9797 | |
| 376 | N | B | -1.2973 | |
| 377 | Q | B | -1.4228 | |
| 378 | D | B | -0.9112 | |
| 379 | A | B | 0.0000 | |
| 380 | D | B | 0.0000 | |
| 381 | T | B | -0.0305 | |
| 382 | V | B | 0.0000 | |
| 383 | T | B | -0.5103 | |
| 384 | I | B | 0.0000 | |
| 385 | D | B | -1.7337 | |
| 386 | N | B | -0.9736 | |
| 387 | T | B | 0.0000 | |
| 388 | V | B | 0.1067 | |
| 389 | Y | B | 0.0000 | |
| 390 | Q | B | 0.0000 | |
| 391 | L | B | 0.0000 | |
| 392 | S | B | -0.6535 | |
| 393 | K | B | -0.4172 | |
| 394 | V | B | 0.3802 | |
| 395 | E | B | -1.4878 | |
| 396 | G | B | -1.8558 | |
| 397 | E | B | -2.6126 | |
| 398 | Q | B | -2.1473 | |
| 399 | H | B | -0.9023 | |
| 400 | V | B | 0.6746 | |
| 401 | I | B | 0.1078 | |
| 402 | K | B | -1.8190 | |
| 403 | G | B | -1.9302 | |
| 404 | R | B | -2.3246 | |
| 405 | P | B | -1.5616 | |
| 406 | V | B | 0.0000 | |
| 407 | S | B | 0.0000 | |
| 408 | S | B | -1.5048 | |
| 409 | S | B | -1.0267 | |
| 410 | F | B | -0.9546 | |
| 411 | D | B | -2.0444 | |
| 412 | P | B | -1.6783 | |
| 413 | V | B | 0.0000 | |
| 414 | K | B | -2.3109 | |
| 415 | F | B | 0.0000 | |
| 416 | P | B | -0.8574 | |
| 417 | E | B | 0.0000 | |
| 418 | D | B | 0.0000 | |
| 419 | Q | B | 0.0000 | |
| 420 | F | B | 0.6638 | |
| 421 | N | B | 0.0000 | |
| 422 | V | B | 0.0000 | |
| 423 | A | B | 0.0000 | |
| 424 | L | B | 0.0000 | |
| 425 | D | B | -0.8937 | |
| 426 | Q | B | 0.0000 | |
| 427 | V | B | 0.0000 | |
| 428 | F | B | -0.5437 | |
| 429 | E | B | -1.2930 | |
| 430 | N | B | -1.5262 | |
| 431 | I | B | 0.0000 | |
| 432 | E | B | -1.4425 | |
| 433 | N | B | -1.3590 | |
| 434 | S | B | -1.1272 | |
| 435 | Q | B | -1.4633 | |
| 436 | A | B | -1.1337 | |
| 437 | L | B | -0.5243 | |
| 438 | V | B | -0.2315 | |
| 439 | D | B | -2.2027 | |
| 440 | Q | B | -1.7084 | |
| 441 | S | B | -1.1348 | |
| 442 | N | B | -2.2280 | |
| 443 | R | B | -2.8297 | |
| 444 | I | B | 0.0000 | |
| 445 | L | B | -1.4125 | |
| 446 | S | B | -2.0132 | |
| 447 | S | B | -2.0889 | |
| 448 | A | B | -2.1904 | |
| 449 | E | B | -2.9106 | |
| 450 | K | B | -3.0763 | |
| 451 | G | B | -2.3807 | |
| 452 | N | B | -2.6945 | |
| 453 | T | B | 0.0000 | |
| 1 | L | C | -0.5201 | |
| 2 | K | C | -1.4204 | |
| 3 | E | C | 0.0000 | |
| 4 | S | C | 0.0000 | |
| 5 | Y | C | -0.0689 | |
| 6 | L | C | 0.0000 | |
| 7 | E | C | -2.0162 | |
| 8 | E | C | 0.0000 | |
| 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 | -0.3932 | |
| 16 | G | C | -0.4319 | |
| 17 | Y | C | 0.0000 | |
| 18 | L | C | -0.1958 | |
| 19 | S | C | 0.0000 | |
| 20 | V | C | 0.0000 | |
| 21 | L | C | 0.0000 | |
| 22 | R | C | 0.0000 | |
| 23 | T | C | -0.0019 | |
| 24 | G | C | -0.1502 | |
| 25 | W | C | -0.0337 | |
| 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 | -1.2873 | |
| 34 | V | C | 0.0000 | |
| 35 | G | C | -1.3598 | |
| 36 | D | C | -1.7062 | |
| 37 | V | C | 0.0000 | |
| 38 | E | C | -2.1390 | |
| 39 | N | C | -2.0802 | |
| 40 | L | C | 0.0000 | |
| 41 | T | C | -2.2670 | |
| 42 | C | C | 0.0000 | |
| 43 | A | C | -3.3316 | |
| 44 | D | C | -3.6847 | |
| 45 | G | C | -2.9131 | |
| 46 | P | C | -2.0203 | |
| 47 | S | C | -1.1728 | |
| 48 | L | C | 0.0000 | |
| 49 | I | C | 0.0000 | |
| 50 | K | C | -2.4903 | |
| 51 | T | C | -1.5334 | |
| 52 | E | C | 0.0000 | |
| 53 | L | C | -1.7747 | |
| 54 | D | C | -2.4663 | |
| 55 | L | C | -1.3488 | |
| 56 | T | C | 0.0000 | |
| 57 | K | C | -1.8013 | |
| 58 | S | C | -1.5351 | |
| 59 | A | C | 0.0000 | |
| 60 | L | C | -1.2433 | |
| 61 | R | C | -1.8291 | |
| 62 | E | C | 0.0000 | |
| 63 | L | C | 0.0000 | |
| 64 | K | C | -2.1270 | |
| 65 | T | C | 0.0000 | |
| 66 | V | C | 0.0000 | |
| 67 | S | C | -0.7181 | |
| 68 | A | C | 0.0000 | |
| 69 | D | C | -1.2917 | |
| 70 | Q | C | 0.0000 | |
| 71 | L | C | -0.2506 | |
| 72 | G | C | 0.0000 | |
| 73 | G | C | -0.8106 | |
| 74 | G | C | -1.2411 | |
| 75 | G | C | -1.2029 | |
| 76 | S | C | -0.5131 | |
| 77 | A | C | -0.3263 | |
| 78 | T | C | -0.4381 | |
| 79 | A | C | -0.3525 | |
| 80 | A | C | 0.0000 | |
| 81 | A | C | 0.1273 | |
| 82 | V | C | 0.0000 | |
| 83 | T | C | -0.1447 | |
| 84 | A | C | -0.0277 | |
| 85 | G | C | 0.0000 | |
| 86 | V | C | -0.3049 | |
| 87 | A | C | -0.7985 | |
| 88 | I | C | 0.0000 | |
| 89 | A | C | 0.0000 | |
| 90 | K | C | -1.8476 | |
| 91 | T | C | -0.9080 | |
| 92 | I | C | 0.0000 | |
| 93 | R | C | -1.2653 | |
| 94 | L | C | -0.2419 | |
| 95 | E | C | -1.7229 | |
| 96 | S | C | -1.0518 | |
| 97 | E | C | -1.2573 | |
| 98 | V | C | -0.9765 | |
| 99 | T | C | -0.7789 | |
| 100 | A | C | -1.1078 | |
| 101 | I | C | -0.8133 | |
| 102 | K | C | -1.2704 | |
| 103 | N | C | -2.0490 | |
| 104 | A | C | -1.5691 | |
| 105 | L | C | 0.0000 | |
| 106 | K | C | -3.2590 | |
| 107 | K | C | -3.1347 | |
| 108 | T | C | -2.1992 | |
| 109 | N | C | -2.4247 | |
| 110 | E | C | -1.1719 | |
| 111 | A | C | -0.3370 | |
| 112 | V | C | 1.2696 | |
| 113 | S | C | 0.7044 | |
| 114 | T | C | 0.1838 | |
| 115 | L | C | -0.2557 | |
| 116 | G | C | -1.1268 | |
| 117 | N | C | -1.4864 | |
| 118 | G | C | -1.1185 | |
| 119 | V | C | -0.3716 | |
| 120 | R | C | -0.2954 | |
| 121 | V | C | 0.0000 | |
| 122 | L | C | 0.0000 | |
| 123 | A | C | 0.0000 | |
| 124 | T | C | -0.6386 | |
| 125 | A | C | -1.6237 | |
| 126 | V | C | -1.2616 | |
| 127 | R | C | -2.7582 | |
| 128 | E | C | -2.6984 | |
| 129 | L | C | 0.0000 | |
| 130 | K | C | -2.6019 | |
| 131 | D | C | -3.0719 | |
| 132 | F | C | -1.8508 | |
| 133 | V | C | 0.0000 | |
| 134 | S | C | -1.7875 | |
| 135 | K | C | -2.0388 | |
| 136 | N | C | -1.6998 | |
| 137 | L | C | 0.0000 | |
| 138 | T | C | -2.0686 | |
| 139 | R | C | -2.8965 | |
| 140 | A | C | -2.9670 | |
| 141 | I | C | 0.0000 | |
| 142 | N | C | -3.7326 | |
| 143 | K | C | -4.1027 | |
| 144 | N | C | -4.1902 | |
| 145 | K | C | -4.3520 | |
| 146 | C | C | 0.0000 | |
| 147 | D | C | -3.8214 | |
| 148 | I | C | 0.0000 | |
| 149 | F | C | -1.6715 | mutated: DF149C |
| 150 | D | C | -2.3075 | |
| 151 | L | C | -0.9602 | |
| 152 | K | C | -0.8168 | |
| 153 | M | C | 0.0000 | |
| 154 | A | C | 0.0000 | |
| 155 | V | C | 0.0000 | |
| 156 | S | C | 0.0000 | |
| 157 | F | C | 0.0000 | |
| 158 | S | C | -0.1938 | |
| 159 | Q | C | -0.2513 | |
| 160 | F | C | 0.0000 | |
| 161 | N | C | 0.0000 | |
| 162 | R | C | -0.4244 | |
| 163 | R | C | -0.4474 | |
| 164 | F | C | 0.0000 | |
| 165 | L | C | 0.0000 | |
| 166 | N | C | 0.0000 | |
| 167 | V | C | -0.2295 | |
| 168 | V | C | 0.0000 | |
| 169 | R | C | -1.0371 | |
| 170 | Q | C | -0.9742 | |
| 171 | F | C | 0.0000 | |
| 172 | S | C | 0.0000 | |
| 173 | D | C | -1.0720 | |
| 174 | N | C | -1.0391 | |
| 175 | A | C | 0.0000 | |
| 176 | G | C | 0.0000 | |
| 177 | I | C | 0.0000 | |
| 178 | T | C | 0.0000 | |
| 179 | P | C | -0.4317 | |
| 180 | A | C | -0.5972 | |
| 181 | I | C | 0.0000 | |
| 182 | S | C | 0.0000 | |
| 183 | L | C | 0.0000 | |
| 184 | D | C | -0.3724 | |
| 185 | L | C | -0.3298 | |
| 186 | M | C | 0.0000 | |
| 187 | T | C | -0.4647 | |
| 188 | D | C | 0.0000 | |
| 189 | A | C | -0.6090 | |
| 190 | E | C | -0.8605 | |
| 191 | L | C | 0.0000 | |
| 192 | A | C | -1.0587 | |
| 193 | R | C | -2.0072 | |
| 194 | A | C | 0.0000 | |
| 195 | V | C | 0.0000 | |
| 196 | S | C | -1.3966 | |
| 197 | N | C | -1.4358 | |
| 198 | M | C | 0.0000 | |
| 199 | P | C | -0.7321 | |
| 200 | T | C | -0.6185 | |
| 201 | S | C | -0.6695 | |
| 202 | A | C | -0.7020 | |
| 203 | G | C | -0.7460 | |
| 204 | Q | C | 0.0000 | |
| 205 | I | C | -0.9092 | |
| 206 | K | C | -1.8722 | |
| 207 | L | C | -0.9992 | |
| 208 | M | C | 0.0000 | |
| 209 | L | C | -0.8217 | |
| 210 | E | C | -1.8726 | |
| 211 | N | C | -1.2680 | |
| 212 | R | C | -1.0368 | |
| 213 | A | C | 0.0000 | |
| 214 | M | C | 0.0000 | |
| 215 | V | C | 0.0000 | |
| 216 | R | C | 0.0000 | |
| 217 | R | C | -1.5460 | |
| 218 | K | C | 0.0000 | |
| 219 | G | C | 0.0000 | |
| 220 | F | C | -0.0884 | |
| 221 | G | C | 0.0000 | |
| 222 | I | C | 0.0000 | |
| 223 | L | C | 0.0000 | |
| 224 | I | C | 0.0000 | |
| 225 | G | C | -0.1823 | |
| 226 | V | C | 0.2643 | |
| 227 | Y | C | 0.4037 | |
| 228 | G | C | -0.1760 | |
| 229 | S | C | -0.4910 | |
| 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 | -0.0164 | |
| 237 | L | C | 0.0000 | |
| 238 | P | C | 0.0000 | |
| 239 | I | C | 0.0000 | |
| 240 | F | C | 0.0000 | |
| 241 | G | C | 0.2227 | |
| 242 | V | C | 0.3850 | |
| 243 | I | C | 0.3376 | |
| 244 | D | C | -1.1136 | |
| 245 | T | C | 0.0000 | |
| 246 | P | C | -0.5141 | |
| 247 | C | C | 0.0000 | |
| 248 | W | C | -0.1612 | |
| 249 | I | C | 0.0000 | |
| 250 | V | C | 0.0000 | |
| 251 | K | C | 0.0000 | |
| 252 | A | C | 0.0000 | |
| 253 | A | C | 0.0000 | |
| 254 | P | C | 0.0000 | |
| 255 | S | C | -0.3005 | |
| 256 | C | C | -0.2856 | |
| 257 | S | C | -1.1126 | |
| 258 | E | C | -2.0874 | |
| 259 | K | C | -2.5884 | |
| 260 | K | C | -2.3470 | |
| 261 | G | C | -1.7836 | |
| 262 | N | C | -2.1448 | |
| 263 | Y | C | 0.0000 | |
| 264 | A | C | 0.0000 | |
| 265 | C | C | 0.0000 | |
| 266 | L | C | 0.0000 | |
| 267 | L | C | 0.1119 | |
| 268 | R | C | 0.0000 | |
| 269 | E | C | -0.7648 | |
| 270 | D | C | -1.0420 | |
| 271 | Q | C | 0.0000 | |
| 272 | G | C | 0.0000 | |
| 273 | W | C | 0.0000 | |
| 274 | Y | C | 0.0000 | |
| 275 | C | C | 0.0000 | |
| 276 | Q | C | -0.6953 | |
| 277 | N | C | -0.8923 | |
| 278 | A | C | -0.6683 | |
| 279 | G | C | -0.8209 | |
| 280 | S | C | 0.0000 | |
| 281 | T | C | -0.5037 | |
| 282 | V | C | 0.0000 | |
| 283 | Y | C | 0.0527 | |
| 284 | Y | C | 0.0000 | |
| 285 | P | C | -1.1694 | |
| 286 | N | C | -1.9893 | |
| 287 | E | C | -2.1200 | |
| 288 | K | C | -2.3959 | |
| 289 | D | C | -1.6347 | |
| 290 | C | C | 0.0000 | |
| 291 | E | C | 0.0000 | |
| 292 | T | C | 0.0000 | |
| 293 | R | C | -0.8440 | |
| 294 | G | C | 0.0000 | |
| 295 | D | C | -0.7834 | |
| 296 | H | C | -0.7149 | |
| 297 | V | C | 0.0000 | |
| 298 | F | C | 0.0000 | |
| 299 | C | C | 0.0000 | |
| 300 | D | C | -0.4142 | |
| 301 | T | C | 0.0000 | |
| 302 | A | C | 0.0972 | |
| 303 | A | C | -0.2133 | |
| 304 | G | C | 0.0000 | |
| 305 | I | C | 0.3222 | |
| 306 | N | C | 0.0000 | |
| 307 | V | C | 0.0000 | |
| 308 | A | C | -0.4610 | |
| 309 | E | C | -0.3979 | |
| 310 | Q | C | 0.0000 | |
| 311 | S | C | 0.0000 | |
| 312 | K | C | -0.0437 | |
| 313 | E | C | 0.1239 | |
| 314 | C | C | 0.0000 | |
| 315 | N | C | 0.0000 | |
| 316 | I | C | 0.9749 | |
| 317 | N | C | 0.0950 | |
| 318 | I | C | 1.3720 | |
| 319 | S | C | 0.1865 | |
| 320 | T | C | -0.4112 | |
| 321 | T | C | -1.0065 | |
| 322 | N | C | -1.8528 | |
| 323 | Y | C | 0.0000 | |
| 324 | P | C | -0.7440 | |
| 325 | C | C | 0.0000 | |
| 326 | K | C | -0.6239 | |
| 327 | V | C | 0.0000 | |
| 328 | S | C | 0.1223 | |
| 329 | T | C | 0.0000 | |
| 330 | G | C | 0.0000 | |
| 331 | R | C | 0.0000 | |
| 332 | H | C | -0.1822 | |
| 333 | P | C | 0.0000 | |
| 334 | I | C | 0.0000 | |
| 335 | S | C | 0.0000 | |
| 336 | M | C | 0.3143 | |
| 337 | V | C | 0.4515 | |
| 338 | A | C | 0.0000 | |
| 339 | L | C | 0.1053 | |
| 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 | -1.2324 | |
| 350 | K | C | -2.3428 | |
| 351 | G | C | -1.3215 | |
| 352 | V | C | -0.8878 | |
| 353 | S | C | -1.4347 | |
| 354 | C | C | 0.0000 | |
| 355 | S | C | -0.7003 | |
| 356 | I | C | 0.0000 | |
| 357 | G | C | 0.0000 | |
| 358 | S | C | 0.0000 | |
| 359 | N | C | -0.6992 | |
| 360 | R | C | -1.2501 | |
| 361 | V | C | 1.0971 | |
| 362 | G | C | 0.9691 | |
| 363 | I | C | 1.9193 | |
| 364 | I | C | 1.0299 | |
| 365 | K | C | -0.7156 | |
| 366 | Q | C | -1.6247 | |
| 367 | L | C | -1.7696 | |
| 368 | N | C | -2.4919 | |
| 369 | K | C | -2.5517 | |
| 370 | G | C | -1.3230 | |
| 371 | C | C | -0.6681 | |
| 372 | S | C | 0.0000 | |
| 373 | Y | C | 0.0000 | |
| 374 | I | C | -0.2330 | |
| 375 | T | C | -0.8086 | |
| 376 | N | C | 0.0000 | |
| 377 | Q | C | -1.4252 | |
| 378 | D | C | -1.1337 | |
| 379 | A | C | 0.0000 | |
| 380 | D | C | 0.0000 | |
| 381 | T | C | -0.3141 | |
| 382 | V | C | 0.0000 | |
| 383 | T | C | -0.3609 | |
| 384 | I | C | 0.0000 | |
| 385 | D | C | -1.5718 | |
| 386 | N | C | -0.8821 | |
| 387 | T | C | 0.0000 | |
| 388 | V | C | 0.0415 | |
| 389 | Y | C | 0.0000 | |
| 390 | Q | C | -0.1610 | |
| 391 | L | C | 0.0000 | |
| 392 | S | C | 0.0000 | |
| 393 | K | C | -0.7576 | |
| 394 | V | C | -0.7562 | |
| 395 | E | C | -2.0485 | |
| 396 | G | C | -1.9404 | |
| 397 | E | C | -2.6109 | |
| 398 | Q | C | -2.0004 | |
| 399 | H | C | -0.8797 | |
| 400 | V | C | 0.5279 | |
| 401 | I | C | -0.1677 | |
| 402 | K | C | -1.7479 | |
| 403 | G | C | -1.6789 | |
| 404 | R | C | -1.6685 | |
| 405 | P | C | -1.1561 | |
| 406 | V | C | 0.0000 | |
| 407 | S | C | 0.0000 | |
| 408 | S | C | -0.9193 | |
| 409 | S | C | -0.5471 | |
| 410 | F | C | -0.4127 | |
| 411 | D | C | -1.8140 | |
| 412 | P | C | 0.0000 | |
| 413 | V | C | 0.0000 | |
| 414 | K | C | -1.9455 | |
| 415 | F | C | 0.0000 | |
| 416 | P | C | -0.4778 | |
| 417 | E | C | 0.0000 | |
| 418 | D | C | 0.0000 | |
| 419 | Q | C | 0.0000 | |
| 420 | F | C | 0.7127 | |
| 421 | N | C | -0.0922 | |
| 422 | V | C | 0.0000 | |
| 423 | A | C | -0.5486 | |
| 424 | L | C | 0.0000 | |
| 425 | D | C | -0.6863 | |
| 426 | Q | C | 0.0000 | |
| 427 | V | C | 0.0000 | |
| 428 | F | C | 0.2528 | |
| 429 | E | C | -1.2712 | |
| 430 | N | C | 0.0000 | |
| 431 | I | C | -1.0461 | |
| 432 | E | C | -2.0590 | |
| 433 | N | C | -1.7459 | |
| 434 | S | C | -1.3611 | |
| 435 | Q | C | -2.0312 | |
| 436 | A | C | -1.5474 | |
| 437 | L | C | 0.0000 | |
| 438 | V | C | -0.9181 | |
| 439 | D | C | -2.2869 | |
| 440 | Q | C | -1.6756 | |
| 441 | S | C | -1.3942 | |
| 442 | N | C | -2.1553 | |
| 443 | R | C | -2.5601 | |
| 444 | I | C | 0.0000 | |
| 445 | L | C | -1.3500 | |
| 446 | S | C | -2.0561 | |
| 447 | S | C | -2.3193 | |
| 448 | A | C | -2.3890 | |
| 449 | E | C | -3.3245 | |
| 450 | K | C | -3.1408 | |
| 451 | G | C | -2.7630 | |
| 452 | N | C | -2.8576 | |
| 453 | T | C | -1.5175 |
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, -0.6302 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 |
|||
| model_9 | -0.6302 | View | CSV | PDB |
| model_11 | -0.6394 | View | CSV | PDB |
| model_1 | -0.6398 | View | CSV | PDB |
| model_2 | -0.6448 | View | CSV | PDB |
| model_0 | -0.6523 | View | CSV | PDB |
| model_5 | -0.6622 | View | CSV | PDB |
| model_8 | -0.6633 | View | CSV | PDB |
| CABS_average | -0.6645 | View | CSV | PDB |
| input | -0.6672 | View | CSV | PDB |
| model_6 | -0.6779 | View | CSV | PDB |
| model_3 | -0.685 | View | CSV | PDB |
| model_4 | -0.6917 | View | CSV | PDB |
| model_7 | -0.6933 | View | CSV | PDB |
| model_10 | -0.6944 | 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