Project name: MPV_addsd_169Y172I173H174Y180Y_453P [mutate: RY169A, RY169C, RY169B, SI172A, SI172C, SI172B, DH173A, DH173C, DH173B, NY174A, NY174C, NY174B, AY180A, AY180C, AY180B, EP417A, EP417C, EP417B]
Status: done
Started: 2025-12-12 09:42:48
| Chain sequence(s) |
A: LKESYLEESCSTITEGYLSVLRTGWYTNVFTLEVGDVENLTCADGPSLIKTELDLTKSALRELKTVSADQLGGGGSATAAAVTAGVAIAKCIRLPSEVTAIKNALKKTNEAVSTLGCGVRVLATAVPELKDFVSKNLTRAINKNKCDIPDLKMAVSFSQFNRRFLNVVRQFSDNAGITPAISLDLMTDAELARAVSNMPTSAGQIKLMLENRAMVRRKGFGILIGVYGSSVIYMVQLPIFGVIDTPCWIVKAAPSCSEKKGNYACLLREDQGWYCQNAGSTVYYPNEKDCETRGDHVFCDTAAGINVAEQSKECNINISTTNYPCKVSTGRHPISMVALSPLGALVACYKGVSCSIGSNRVGIIKQLNKGCSYITNQDADTVTIDNTVYQLSKVEGEQHVIKGRPVSSSFDPVKFPEDQFNVALPQVFENIENSQAWVDQFNRILSSAEKGNT
C: LKESYLEESCSTITEGYLSVLRTGWYTNVFTLEVGDVENLTCADGPSLIKTELDLTKSALRELKTVSADQLGGGGSATAAAVTAGVAIAKCIRLPSEVTAIKNALKKTNEAVSTLGCGVRVLATAVPELKDFVSKNLTRAINKNKCDIPDLKMAVSFSQFNRRFLNVVRQFSDNAGITPAISLDLMTDAELARAVSNMPTSAGQIKLMLENRAMVRRKGFGILIGVYGSSVIYMVQLPIFGVIDTPCWIVKAAPSCSEKKGNYACLLREDQGWYCQNAGSTVYYPNEKDCETRGDHVFCDTAAGINVAEQSKECNINISTTNYPCKVSTGRHPISMVALSPLGALVACYKGVSCSIGSNRVGIIKQLNKGCSYITNQDADTVTIDNTVYQLSKVEGEQHVIKGRPVSSSFDPVKFPEDQFNVALPQVFENIENSQAWVDQFNRILSSAEKGNT B: LKESYLEESCSTITEGYLSVLRTGWYTNVFTLEVGDVENLTCADGPSLIKTELDLTKSALRELKTVSADQLGGGGSATAAAVTAGVAIAKCIRLPSEVTAIKNALKKTNEAVSTLGCGVRVLATAVPELKDFVSKNLTRAINKNKCDIPDLKMAVSFSQFNRRFLNVVRQFSDNAGITPAISLDLMTDAELARAVSNMPTSAGQIKLMLENRAMVRRKGFGILIGVYGSSVIYMVQLPIFGVIDTPCWIVKAAPSCSEKKGNYACLLREDQGWYCQNAGSTVYYPNEKDCETRGDHVFCDTAAGINVAEQSKECNINISTTNYPCKVSTGRHPISMVALSPLGALVACYKGVSCSIGSNRVGIIKQLNKGCSYITNQDADTVTIDNTVYQLSKVEGEQHVIKGRPVSSSFDPVKFPEDQFNVALPQVFENIENSQAWVDQFNRILSSAEKGNT 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 | SI172B,DH173B,AY180B,RY169B,EP417B,NY174B,RY169C,DH173C,SI172C,NY174C,EP417A,NY174A,DH173A,SI172A,AY180C,EP417C,RY169A,AY180A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -4.10222 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 (00:00:03)
[INFO] FoldX: Building mutant model (00:31:08)
[INFO] CABS: Running CABS flex simulation (01:06:42)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (10:35:44)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (10:36:12)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (10:36:41)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (10:37:10)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (10:37:39)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (10:38:09)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (10:38:38)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (10:39:07)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (10:39:36)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (10:40:05)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (10:40:34)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (10:41:04)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (10:41:34)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (10:42:35)
[INFO] Main: Simulation completed successfully. (10:43:04)
|
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
- -4.2347
- Maximal score value
- 2.7961
- Average score
- -0.62
- Total score value
- -842.6122
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 | -1.9027 | |
| 2 | K | A | -2.9839 | |
| 3 | E | A | 0.0000 | |
| 4 | S | A | -0.8769 | |
| 5 | Y | A | 0.0000 | |
| 6 | L | A | 0.0000 | |
| 7 | E | A | 0.0000 | |
| 8 | E | A | -0.7520 | |
| 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 | -0.9937 | |
| 16 | G | A | -0.8901 | |
| 17 | Y | A | 0.0000 | |
| 18 | L | A | -0.0806 | |
| 19 | S | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | R | A | 0.0000 | |
| 23 | T | A | 0.3301 | |
| 24 | G | A | 0.0359 | |
| 25 | W | A | -0.0287 | |
| 26 | Y | A | -0.3331 | |
| 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 | -1.3575 | |
| 34 | V | A | 0.0000 | |
| 35 | G | A | -2.1583 | |
| 36 | D | A | -2.9882 | |
| 37 | V | A | 0.0000 | |
| 38 | E | A | -3.3846 | |
| 39 | N | A | -2.9212 | |
| 40 | L | A | 0.0000 | |
| 41 | T | A | -2.3653 | |
| 42 | C | A | 0.0000 | |
| 43 | A | A | -2.7171 | |
| 44 | D | A | -3.1321 | |
| 45 | G | A | -2.0740 | |
| 46 | P | A | -1.1519 | |
| 47 | S | A | -1.0418 | |
| 48 | L | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | K | A | -2.3273 | |
| 51 | T | A | 0.0000 | |
| 52 | E | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | D | A | -2.8003 | |
| 55 | L | A | -1.5686 | |
| 56 | T | A | 0.0000 | |
| 57 | K | A | -3.2301 | |
| 58 | S | A | -1.7443 | |
| 59 | A | A | 0.0000 | |
| 60 | L | A | -1.7526 | |
| 61 | R | A | -1.8671 | |
| 62 | E | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -1.9173 | |
| 65 | T | A | -1.0051 | |
| 66 | V | A | 0.0000 | |
| 67 | S | A | -0.5107 | |
| 68 | A | A | 0.0000 | |
| 69 | D | A | -0.4147 | |
| 70 | Q | A | 0.0000 | |
| 71 | L | A | -0.0286 | |
| 72 | G | A | -0.6894 | |
| 73 | G | A | -0.9811 | |
| 74 | G | A | -1.1913 | |
| 75 | G | A | -1.0997 | |
| 76 | S | A | -0.6310 | |
| 77 | A | A | 0.0068 | |
| 78 | T | A | -0.0406 | |
| 79 | A | A | 0.0683 | |
| 80 | A | A | 0.0000 | |
| 81 | A | A | 0.3053 | |
| 82 | V | A | 0.5626 | |
| 83 | T | A | 0.0000 | |
| 84 | A | A | 0.2599 | |
| 85 | G | A | 0.1642 | |
| 86 | V | A | 0.0000 | |
| 87 | A | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | K | A | -0.3521 | |
| 91 | C | A | -0.1528 | |
| 92 | I | A | 0.0000 | |
| 93 | R | A | -0.9518 | |
| 94 | L | A | -0.2395 | |
| 95 | P | A | -0.5661 | |
| 96 | S | A | -0.6808 | |
| 97 | E | A | -1.0981 | |
| 98 | V | A | 0.0000 | |
| 99 | T | A | -0.8823 | |
| 100 | A | A | -1.0669 | |
| 101 | I | A | 0.0000 | |
| 102 | K | A | -1.9110 | |
| 103 | N | A | -2.5636 | |
| 104 | A | A | -1.9937 | |
| 105 | L | A | 0.0000 | |
| 106 | K | A | -3.6449 | |
| 107 | K | A | -3.4208 | |
| 108 | T | A | -2.5887 | |
| 109 | N | A | -2.9949 | |
| 110 | E | A | -2.4095 | |
| 111 | A | A | 0.0000 | |
| 112 | V | A | 0.9142 | |
| 113 | S | A | 0.2080 | |
| 114 | T | A | -0.3340 | |
| 115 | L | A | -0.4114 | |
| 116 | G | A | -1.2160 | |
| 117 | C | A | -1.0379 | |
| 118 | G | A | -0.9591 | |
| 119 | V | A | -0.7799 | |
| 120 | R | A | -1.1064 | |
| 121 | V | A | 0.0000 | |
| 122 | L | A | 0.1005 | |
| 123 | A | A | 0.0000 | |
| 124 | T | A | -0.6199 | |
| 125 | A | A | -1.2530 | |
| 126 | V | A | -0.5179 | |
| 127 | P | A | 0.0000 | |
| 128 | E | A | -1.8038 | |
| 129 | L | A | 0.0000 | |
| 130 | K | A | -2.2390 | |
| 131 | D | A | -2.4624 | |
| 132 | F | A | 0.0000 | |
| 133 | V | A | -1.8505 | |
| 134 | S | A | -1.9922 | |
| 135 | K | A | -2.6564 | |
| 136 | N | A | -2.1949 | |
| 137 | L | A | 0.0000 | |
| 138 | T | A | -2.1490 | |
| 139 | R | A | -2.8869 | |
| 140 | A | A | -2.4217 | |
| 141 | I | A | 0.0000 | |
| 142 | N | A | -3.4366 | |
| 143 | K | A | -3.8100 | |
| 144 | N | A | -3.6670 | |
| 145 | K | A | -3.7515 | |
| 146 | C | A | 0.0000 | |
| 147 | D | A | -2.4204 | |
| 148 | I | A | 0.0000 | |
| 149 | P | A | -1.5389 | |
| 150 | D | A | -2.5705 | |
| 151 | L | A | -1.6042 | |
| 152 | K | A | -1.7360 | |
| 153 | M | A | 0.0000 | |
| 154 | A | A | 0.0000 | |
| 155 | V | A | 0.0000 | |
| 156 | S | A | 0.0000 | |
| 157 | F | A | 0.0000 | |
| 158 | S | A | -0.0727 | |
| 159 | Q | A | 0.0000 | |
| 160 | F | A | 0.0000 | |
| 161 | N | A | 0.0000 | |
| 162 | R | A | 0.0000 | |
| 163 | R | A | 0.0000 | |
| 164 | F | A | 0.0000 | |
| 165 | L | A | -0.0322 | |
| 166 | N | A | -0.3604 | |
| 167 | V | A | 0.0000 | |
| 168 | V | A | 0.0000 | |
| 169 | Y | A | 0.0471 | mutated: RY169A |
| 170 | Q | A | -0.0675 | |
| 171 | F | A | 0.0000 | |
| 172 | I | A | 0.0000 | mutated: SI172A |
| 173 | H | A | 0.0675 | mutated: DH173A |
| 174 | Y | A | 0.4829 | mutated: NY174A |
| 175 | A | A | 0.0713 | |
| 176 | G | A | 0.0000 | |
| 177 | I | A | 0.6335 | |
| 178 | T | A | 0.0000 | |
| 179 | P | A | -0.0752 | |
| 180 | Y | A | 0.0000 | mutated: AY180A |
| 181 | I | A | 0.0000 | |
| 182 | S | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | D | A | 0.0000 | |
| 185 | L | A | -0.1656 | |
| 186 | M | A | 0.0000 | |
| 187 | T | A | -0.4543 | |
| 188 | D | A | -0.9225 | |
| 189 | A | A | -0.8404 | |
| 190 | E | A | -0.9694 | |
| 191 | L | A | 0.0000 | |
| 192 | A | A | -1.3583 | |
| 193 | R | A | -2.2545 | |
| 194 | A | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | S | A | -1.6541 | |
| 197 | N | A | -1.4594 | |
| 198 | M | A | -1.0186 | |
| 199 | P | A | -0.6216 | |
| 200 | T | A | 0.0000 | |
| 201 | S | A | -0.5856 | |
| 202 | A | A | -0.7959 | |
| 203 | G | A | -0.8759 | |
| 204 | Q | A | -0.7539 | |
| 205 | I | A | -0.9509 | |
| 206 | K | A | -1.6733 | |
| 207 | L | A | -0.7134 | |
| 208 | M | A | 0.0000 | |
| 209 | L | A | -0.6009 | |
| 210 | E | A | -0.6869 | |
| 211 | N | A | 0.0000 | |
| 212 | R | A | 0.0000 | |
| 213 | A | A | 0.0000 | |
| 214 | M | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | R | A | 0.0000 | |
| 217 | R | A | -0.4942 | |
| 218 | K | A | -0.7162 | |
| 219 | G | A | 0.0000 | |
| 220 | F | A | 0.3106 | |
| 221 | G | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | L | A | 0.0000 | |
| 224 | I | A | 0.0000 | |
| 225 | G | A | -0.2585 | |
| 226 | V | A | 0.1371 | |
| 227 | Y | A | 0.1383 | |
| 228 | G | A | -0.5102 | |
| 229 | S | A | -0.9714 | |
| 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 | 0.2783 | |
| 242 | V | A | 0.6406 | |
| 243 | I | A | 0.0944 | |
| 244 | D | A | -1.1678 | |
| 245 | T | A | 0.0000 | |
| 246 | P | A | -0.5581 | |
| 247 | C | A | 0.0000 | |
| 248 | W | A | -0.2576 | |
| 249 | I | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | K | A | -0.5573 | |
| 252 | A | A | -0.1218 | |
| 253 | A | A | 0.0000 | |
| 254 | P | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | C | A | 0.0000 | |
| 257 | S | A | 0.0000 | |
| 258 | E | A | -2.5081 | |
| 259 | K | A | -3.3893 | |
| 260 | K | A | -3.0276 | |
| 261 | G | A | -2.1039 | |
| 262 | N | A | -2.0259 | |
| 263 | Y | A | -1.8546 | |
| 264 | A | A | 0.0000 | |
| 265 | C | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | L | A | 0.3850 | |
| 268 | R | A | 0.0000 | |
| 269 | E | A | 0.0000 | |
| 270 | D | A | 0.0000 | |
| 271 | Q | A | -1.8913 | |
| 272 | G | A | 0.0000 | |
| 273 | W | A | 0.0000 | |
| 274 | Y | A | 0.0000 | |
| 275 | C | A | 0.0000 | |
| 276 | Q | A | -0.8429 | |
| 277 | N | A | -0.8429 | |
| 278 | A | A | -0.4153 | |
| 279 | G | A | -0.8059 | |
| 280 | S | A | -0.7881 | |
| 281 | T | A | 0.0000 | |
| 282 | V | A | -0.2324 | |
| 283 | Y | A | 0.0000 | |
| 284 | Y | A | -0.7853 | |
| 285 | P | A | -1.5562 | |
| 286 | N | A | -2.6283 | |
| 287 | E | A | -2.8521 | |
| 288 | K | A | -2.7190 | |
| 289 | D | A | -1.7907 | |
| 290 | C | A | 0.0000 | |
| 291 | E | A | 0.0000 | |
| 292 | T | A | -0.9232 | |
| 293 | R | A | 0.0000 | |
| 294 | G | A | -1.1267 | |
| 295 | D | A | -1.2697 | |
| 296 | H | A | -0.7411 | |
| 297 | V | A | 0.0000 | |
| 298 | F | A | 0.0000 | |
| 299 | C | A | 0.0000 | |
| 300 | D | A | -0.6262 | |
| 301 | T | A | -0.0248 | |
| 302 | A | A | 0.1204 | |
| 303 | A | A | 0.1339 | |
| 304 | G | A | -0.0279 | |
| 305 | I | A | 0.4092 | |
| 306 | N | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | A | A | -1.3536 | |
| 309 | E | A | -2.1120 | |
| 310 | Q | A | -1.6374 | |
| 311 | S | A | 0.0000 | |
| 312 | K | A | -1.6016 | |
| 313 | E | A | -2.4627 | |
| 314 | C | A | 0.0000 | |
| 315 | N | A | 0.0000 | |
| 316 | I | A | -0.4377 | |
| 317 | N | A | 0.0000 | |
| 318 | I | A | -0.0437 | |
| 319 | S | A | -0.4132 | |
| 320 | T | A | -0.2834 | |
| 321 | T | A | -0.7331 | |
| 322 | N | A | -1.3988 | |
| 323 | Y | A | -0.7820 | |
| 324 | P | A | 0.0000 | |
| 325 | C | A | 0.0000 | |
| 326 | K | A | -0.8030 | |
| 327 | V | A | 0.0000 | |
| 328 | S | A | -0.1632 | |
| 329 | T | A | 0.0000 | |
| 330 | G | A | 0.0000 | |
| 331 | R | A | -1.9914 | |
| 332 | H | A | -1.0483 | |
| 333 | P | A | -0.6057 | |
| 334 | I | A | 0.1724 | |
| 335 | S | A | 0.0000 | |
| 336 | M | A | 0.4482 | |
| 337 | V | A | 0.0000 | |
| 338 | A | A | 0.2653 | |
| 339 | L | A | 0.3470 | |
| 340 | S | A | 0.0000 | |
| 341 | P | A | -0.3401 | |
| 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 | -2.4780 | |
| 351 | G | A | -1.6741 | |
| 352 | V | A | 0.0000 | |
| 353 | S | A | -1.6182 | |
| 354 | C | A | 0.0000 | |
| 355 | S | A | -0.5910 | |
| 356 | I | A | 0.0000 | |
| 357 | G | A | 0.0000 | |
| 358 | S | A | -0.0001 | |
| 359 | N | A | -0.5354 | |
| 360 | R | A | -1.2455 | |
| 361 | V | A | 0.9320 | |
| 362 | G | A | 0.8024 | |
| 363 | I | A | 1.6537 | |
| 364 | I | A | 1.6693 | |
| 365 | K | A | -0.8865 | |
| 366 | Q | A | -1.4348 | |
| 367 | L | A | -1.3723 | |
| 368 | N | A | -2.6496 | |
| 369 | K | A | -2.2112 | |
| 370 | G | A | -1.3428 | |
| 371 | C | A | 0.0000 | |
| 372 | S | A | 0.0000 | |
| 373 | Y | A | 0.2957 | |
| 374 | I | A | 0.0000 | |
| 375 | T | A | -0.6878 | |
| 376 | N | A | -1.0513 | |
| 377 | Q | A | -1.4147 | |
| 378 | D | A | -0.8339 | |
| 379 | A | A | 0.0000 | |
| 380 | D | A | 0.0000 | |
| 381 | T | A | -0.0410 | |
| 382 | V | A | 0.0000 | |
| 383 | T | A | -0.0144 | |
| 384 | I | A | 0.0000 | |
| 385 | D | A | -0.5648 | |
| 386 | N | A | 0.0000 | |
| 387 | T | A | 0.0000 | |
| 388 | V | A | 0.7357 | |
| 389 | Y | A | 0.6235 | |
| 390 | Q | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | S | A | 0.0000 | |
| 393 | K | A | -2.3124 | |
| 394 | V | A | -1.7743 | |
| 395 | E | A | -2.7564 | |
| 396 | G | A | -2.7362 | |
| 397 | E | A | -3.2115 | |
| 398 | Q | A | -2.2184 | |
| 399 | H | A | -1.5190 | |
| 400 | V | A | 0.2699 | |
| 401 | I | A | 0.2266 | |
| 402 | K | A | -0.6585 | |
| 403 | G | A | -0.8376 | |
| 404 | R | A | -1.0555 | |
| 405 | P | A | -1.0971 | |
| 406 | V | A | 0.0000 | |
| 407 | S | A | 0.0000 | |
| 408 | S | A | -1.1856 | |
| 409 | S | A | -0.4008 | |
| 410 | F | A | 0.1138 | |
| 411 | D | A | -0.9045 | |
| 412 | P | A | 0.0242 | |
| 413 | V | A | 0.8535 | |
| 414 | K | A | -0.1672 | |
| 415 | F | A | -0.4111 | |
| 416 | P | A | 0.0000 | |
| 417 | P | A | -0.3890 | mutated: EP417A |
| 418 | D | A | -0.7308 | |
| 419 | Q | A | 0.0000 | |
| 420 | F | A | 0.3543 | |
| 421 | N | A | -0.6580 | |
| 422 | V | A | 0.0000 | |
| 423 | A | A | -0.4888 | |
| 424 | L | A | 0.0000 | |
| 425 | P | A | -0.6398 | |
| 426 | Q | A | -0.9805 | |
| 427 | V | A | 0.0000 | |
| 428 | F | A | -0.5236 | |
| 429 | E | A | -2.4018 | |
| 430 | N | A | -1.8893 | |
| 431 | I | A | 0.0000 | |
| 432 | E | A | -2.5214 | |
| 433 | N | A | -1.7226 | |
| 434 | S | A | -0.7852 | |
| 435 | Q | A | -1.4339 | |
| 436 | A | A | -1.0104 | |
| 437 | W | A | 0.2521 | |
| 438 | V | A | 0.1988 | |
| 439 | D | A | -1.8809 | |
| 440 | Q | A | -1.2184 | |
| 441 | F | A | -0.4419 | |
| 442 | N | A | -1.7038 | |
| 443 | R | A | -2.2132 | |
| 444 | I | A | 0.0000 | |
| 445 | L | A | -1.3233 | |
| 446 | S | A | -1.8739 | |
| 447 | S | A | -2.1368 | |
| 448 | A | A | 0.0000 | |
| 449 | E | A | -3.0938 | |
| 450 | K | A | -3.0361 | |
| 451 | G | A | -2.2970 | |
| 452 | N | A | -2.3718 | |
| 453 | T | A | -2.2003 | |
| 1 | L | B | -1.5982 | |
| 2 | K | B | -2.8674 | |
| 3 | E | B | 0.0000 | |
| 4 | S | B | -0.3348 | |
| 5 | Y | B | 0.0000 | |
| 6 | L | B | 0.0000 | |
| 7 | E | B | -0.8592 | |
| 8 | E | B | -1.2086 | |
| 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 | -1.4824 | |
| 16 | G | B | -1.2627 | |
| 17 | Y | B | 0.0000 | |
| 18 | L | B | -0.5737 | |
| 19 | S | B | 0.0000 | |
| 20 | V | B | 0.0000 | |
| 21 | L | B | 0.0000 | |
| 22 | R | B | 0.0000 | |
| 23 | T | B | 0.1910 | |
| 24 | G | B | 0.2764 | |
| 25 | W | B | -0.0006 | |
| 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 | -1.2327 | |
| 34 | V | B | 0.0000 | |
| 35 | G | B | -1.1368 | |
| 36 | D | B | -1.6510 | |
| 37 | V | B | 0.0000 | |
| 38 | E | B | -1.6705 | |
| 39 | N | B | -2.1024 | |
| 40 | L | B | 0.0000 | |
| 41 | T | B | -2.7656 | |
| 42 | C | B | 0.0000 | |
| 43 | A | B | -2.4340 | |
| 44 | D | B | -3.1857 | |
| 45 | G | B | -2.8922 | |
| 46 | P | B | -1.9061 | |
| 47 | S | B | -1.3548 | |
| 48 | L | B | 0.0000 | |
| 49 | I | B | 0.0000 | |
| 50 | K | B | -2.6137 | |
| 51 | T | B | -1.4741 | |
| 52 | E | B | 0.0000 | |
| 53 | L | B | 0.0000 | |
| 54 | D | B | -1.9288 | |
| 55 | L | B | -1.3174 | |
| 56 | T | B | 0.0000 | |
| 57 | K | B | -2.3845 | |
| 58 | S | B | -1.8515 | |
| 59 | A | B | 0.0000 | |
| 60 | L | B | -1.4609 | |
| 61 | R | B | -2.6721 | |
| 62 | E | B | 0.0000 | |
| 63 | L | B | 0.0000 | |
| 64 | K | B | -2.1168 | |
| 65 | T | B | -1.5113 | |
| 66 | V | B | 0.0000 | |
| 67 | S | B | -1.1849 | |
| 68 | A | B | 0.0000 | |
| 69 | D | B | -1.0941 | |
| 70 | Q | B | 0.0000 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | -0.9007 | |
| 73 | G | B | 0.0000 | |
| 74 | G | B | -0.7154 | |
| 75 | G | B | -0.7996 | |
| 76 | S | B | 0.0000 | |
| 77 | A | B | -0.3144 | |
| 78 | T | B | -0.2065 | |
| 79 | A | B | -0.3708 | |
| 80 | A | B | 0.1677 | |
| 81 | A | B | 0.2344 | |
| 82 | V | B | 0.2608 | |
| 83 | T | B | 0.0000 | |
| 84 | A | B | 0.0645 | |
| 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 | -0.4034 | |
| 91 | C | B | -0.0699 | |
| 92 | I | B | 0.0000 | |
| 93 | R | B | -0.6938 | |
| 94 | L | B | 0.5242 | |
| 95 | P | B | 0.0353 | |
| 96 | S | B | -0.2539 | |
| 97 | E | B | 0.0000 | |
| 98 | V | B | -0.0957 | |
| 99 | T | B | -0.4504 | |
| 100 | A | B | -0.7023 | |
| 101 | I | B | 0.0000 | |
| 102 | K | B | -1.5201 | |
| 103 | N | B | -1.9958 | |
| 104 | A | B | -1.7235 | |
| 105 | L | B | 0.0000 | |
| 106 | K | B | -3.5080 | |
| 107 | K | B | -3.2161 | |
| 108 | T | B | -2.3086 | |
| 109 | N | B | -2.8207 | |
| 110 | E | B | -2.2094 | |
| 111 | A | B | -0.6974 | |
| 112 | V | B | 0.8843 | |
| 113 | S | B | 0.3174 | |
| 114 | T | B | -0.0233 | |
| 115 | L | B | 0.0366 | |
| 116 | G | B | -0.1636 | |
| 117 | C | B | 0.1562 | |
| 118 | G | B | 0.0297 | |
| 119 | V | B | 0.0000 | |
| 120 | R | B | -0.6804 | |
| 121 | V | B | 0.0000 | |
| 122 | L | B | 0.0444 | |
| 123 | A | B | 0.0000 | |
| 124 | T | B | 0.0000 | |
| 125 | A | B | 0.0000 | |
| 126 | V | B | -0.9652 | |
| 127 | P | B | 0.0000 | |
| 128 | E | B | -1.7241 | |
| 129 | L | B | 0.0000 | |
| 130 | K | B | -1.7224 | |
| 131 | D | B | -2.2551 | |
| 132 | F | B | 0.0000 | |
| 133 | V | B | 0.0000 | |
| 134 | S | B | -2.0098 | |
| 135 | K | B | -2.6033 | |
| 136 | N | B | -1.9899 | |
| 137 | L | B | 0.0000 | |
| 138 | T | B | -2.1934 | |
| 139 | R | B | -2.7965 | |
| 140 | A | B | -2.6117 | |
| 141 | I | B | 0.0000 | |
| 142 | N | B | -3.4409 | |
| 143 | K | B | -3.5179 | |
| 144 | N | B | -3.6767 | |
| 145 | K | B | -4.2347 | |
| 146 | C | B | 0.0000 | |
| 147 | D | B | -3.2385 | |
| 148 | I | B | 0.0000 | |
| 149 | P | B | -1.8906 | |
| 150 | D | B | -2.4132 | |
| 151 | L | B | 0.0000 | |
| 152 | K | B | -1.2451 | |
| 153 | M | B | 0.0000 | |
| 154 | A | B | 0.0000 | |
| 155 | V | B | 0.0000 | |
| 156 | S | B | 0.0000 | |
| 157 | F | B | 0.0000 | |
| 158 | S | B | -0.3792 | |
| 159 | Q | B | -0.5246 | |
| 160 | F | B | 0.0000 | |
| 161 | N | B | 0.0000 | |
| 162 | R | B | -0.6232 | |
| 163 | R | B | -0.8059 | |
| 164 | F | B | 0.0000 | |
| 165 | L | B | -0.0605 | |
| 166 | N | B | -0.3321 | |
| 167 | V | B | 0.0000 | |
| 168 | V | B | 0.0000 | |
| 169 | Y | B | 0.1834 | mutated: RY169B |
| 170 | Q | B | -0.0296 | |
| 171 | F | B | 0.0000 | |
| 172 | I | B | 0.0000 | mutated: SI172B |
| 173 | H | B | -0.0274 | mutated: DH173B |
| 174 | Y | B | 0.0000 | mutated: NY174B |
| 175 | A | B | 0.0000 | |
| 176 | G | B | 0.0000 | |
| 177 | I | B | 0.0000 | |
| 178 | T | B | 0.0000 | |
| 179 | P | B | -0.0775 | |
| 180 | Y | B | 0.0000 | mutated: AY180B |
| 181 | I | B | 0.0000 | |
| 182 | S | B | 0.0000 | |
| 183 | L | B | 0.0000 | |
| 184 | D | B | -0.3642 | |
| 185 | L | B | 0.0000 | |
| 186 | M | B | 0.0000 | |
| 187 | T | B | -0.1883 | |
| 188 | D | B | 0.0000 | |
| 189 | A | B | -0.6753 | |
| 190 | E | B | -0.8290 | |
| 191 | L | B | 0.0000 | |
| 192 | A | B | -1.0384 | |
| 193 | R | B | -2.0926 | |
| 194 | A | B | 0.0000 | |
| 195 | V | B | 0.0000 | |
| 196 | S | B | -1.5178 | |
| 197 | N | B | -1.4513 | |
| 198 | M | B | 0.0000 | |
| 199 | P | B | -0.6571 | |
| 200 | T | B | -0.4741 | |
| 201 | S | B | -0.4083 | |
| 202 | A | B | -0.5917 | |
| 203 | G | B | -0.6440 | |
| 204 | Q | B | -0.6276 | |
| 205 | I | B | -0.9671 | |
| 206 | K | B | -1.7831 | |
| 207 | L | B | -1.1553 | |
| 208 | M | B | 0.0000 | |
| 209 | L | B | -0.9277 | |
| 210 | E | B | -1.8099 | |
| 211 | N | B | 0.0000 | |
| 212 | R | B | -0.8085 | |
| 213 | A | B | 0.0000 | |
| 214 | M | B | 0.0000 | |
| 215 | V | B | 0.0000 | |
| 216 | R | B | 0.0000 | |
| 217 | R | B | -0.1560 | |
| 218 | K | B | 0.0000 | |
| 219 | G | B | 0.0000 | |
| 220 | F | B | 0.3705 | |
| 221 | G | B | 0.0000 | |
| 222 | I | B | 0.0000 | |
| 223 | L | B | 0.0000 | |
| 224 | I | B | 0.0000 | |
| 225 | G | B | -0.0798 | |
| 226 | V | B | 0.2881 | |
| 227 | Y | B | 0.8411 | |
| 228 | G | B | -0.0543 | |
| 229 | S | B | -0.3739 | |
| 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 | 0.0000 | |
| 240 | F | B | 0.0000 | |
| 241 | G | B | 0.0348 | |
| 242 | V | B | 0.3352 | |
| 243 | I | B | -0.3047 | |
| 244 | D | B | -1.5243 | |
| 245 | T | B | 0.0000 | |
| 246 | P | B | -0.9574 | |
| 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 | 0.0000 | |
| 254 | P | B | 0.0000 | |
| 255 | S | B | 0.0000 | |
| 256 | C | B | -0.9276 | |
| 257 | S | B | -1.6282 | |
| 258 | E | B | -3.2272 | |
| 259 | K | B | -3.7320 | |
| 260 | K | B | -3.5253 | |
| 261 | G | B | -2.5154 | |
| 262 | N | B | -2.8361 | |
| 263 | Y | B | 0.0000 | |
| 264 | A | B | -1.1640 | |
| 265 | C | B | 0.0000 | |
| 266 | L | B | 0.0000 | |
| 267 | L | B | -0.4390 | |
| 268 | R | B | 0.0000 | |
| 269 | E | B | -1.7204 | |
| 270 | D | B | -2.4093 | |
| 271 | Q | B | 0.0000 | |
| 272 | G | B | 0.0000 | |
| 273 | W | B | 0.0000 | |
| 274 | Y | B | 0.0000 | |
| 275 | C | B | 0.0000 | |
| 276 | Q | B | -0.8556 | |
| 277 | N | B | -0.6838 | |
| 278 | A | B | -0.4121 | |
| 279 | G | B | -0.8476 | |
| 280 | S | B | -0.8411 | |
| 281 | T | B | 0.0000 | |
| 282 | V | B | 0.0000 | |
| 283 | Y | B | 0.0000 | |
| 284 | Y | B | -0.3703 | |
| 285 | P | B | -1.3004 | |
| 286 | N | B | -2.1662 | |
| 287 | E | B | 0.0000 | |
| 288 | K | B | -2.1475 | |
| 289 | D | B | -1.2943 | |
| 290 | C | B | 0.0000 | |
| 291 | E | B | 0.0000 | |
| 292 | T | B | 0.0000 | |
| 293 | R | B | -0.7030 | |
| 294 | G | B | -0.7012 | |
| 295 | D | B | -1.0000 | |
| 296 | H | B | -0.7289 | |
| 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 | 0.0517 | |
| 303 | A | B | 0.0407 | |
| 304 | G | B | -0.1636 | |
| 305 | I | B | 0.0000 | |
| 306 | N | B | -0.3472 | |
| 307 | V | B | 0.0000 | |
| 308 | A | B | -1.2075 | |
| 309 | E | B | -2.0057 | |
| 310 | Q | B | -1.9760 | |
| 311 | S | B | 0.0000 | |
| 312 | K | B | -2.0062 | |
| 313 | E | B | -2.6070 | |
| 314 | C | B | -1.5241 | |
| 315 | N | B | -1.3146 | |
| 316 | I | B | 0.6942 | |
| 317 | N | B | 0.0000 | |
| 318 | I | B | 0.0000 | |
| 319 | S | B | -0.5244 | |
| 320 | T | B | -0.6984 | |
| 321 | T | B | -0.4616 | |
| 322 | N | B | -0.8742 | |
| 323 | Y | B | 0.0000 | |
| 324 | P | B | 0.0000 | |
| 325 | C | B | -0.6194 | |
| 326 | K | B | -0.7979 | |
| 327 | V | B | 0.0000 | |
| 328 | S | B | -0.5789 | |
| 329 | T | B | 0.0000 | |
| 330 | G | B | 0.0000 | |
| 331 | R | B | -1.1510 | |
| 332 | H | B | -0.8147 | |
| 333 | P | B | 0.0000 | |
| 334 | I | B | 0.0000 | |
| 335 | S | B | 0.0000 | |
| 336 | M | B | 0.2527 | |
| 337 | V | B | 0.0000 | |
| 338 | A | B | 0.0000 | |
| 339 | L | B | 0.0000 | |
| 340 | S | B | 0.0000 | |
| 341 | P | B | -0.2310 | |
| 342 | L | B | -0.6206 | |
| 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 | -3.0143 | |
| 351 | G | B | -2.0505 | |
| 352 | V | B | 0.0000 | |
| 353 | S | B | -1.2649 | |
| 354 | C | B | 0.0000 | |
| 355 | S | B | -0.5540 | |
| 356 | I | B | 0.0000 | |
| 357 | G | B | -0.0908 | |
| 358 | S | B | 0.0000 | |
| 359 | N | B | -1.0939 | |
| 360 | R | B | -1.8183 | |
| 361 | V | B | 0.2935 | |
| 362 | G | B | -0.0016 | |
| 363 | I | B | 0.8945 | |
| 364 | I | B | 1.4683 | |
| 365 | K | B | -0.7322 | |
| 366 | Q | B | -1.3643 | |
| 367 | L | B | -1.6046 | |
| 368 | N | B | -2.6519 | |
| 369 | K | B | -2.5971 | |
| 370 | G | B | 0.0000 | |
| 371 | C | B | -0.3253 | |
| 372 | S | B | -0.1204 | |
| 373 | Y | B | 1.0183 | |
| 374 | I | B | 0.0000 | |
| 375 | T | B | -0.3953 | |
| 376 | N | B | -0.7234 | |
| 377 | Q | B | -1.2266 | |
| 378 | D | B | -0.7486 | |
| 379 | A | B | 0.0000 | |
| 380 | D | B | 0.0000 | |
| 381 | T | B | -0.5800 | |
| 382 | V | B | 0.0000 | |
| 383 | T | B | -0.1472 | |
| 384 | I | B | 0.0000 | |
| 385 | D | B | -0.7614 | |
| 386 | N | B | -0.3776 | |
| 387 | T | B | 0.0000 | |
| 388 | V | B | 0.5273 | |
| 389 | Y | B | 0.0000 | |
| 390 | Q | B | -0.0441 | |
| 391 | L | B | 0.0000 | |
| 392 | S | B | -0.2231 | |
| 393 | K | B | -0.0140 | |
| 394 | V | B | 0.6478 | |
| 395 | E | B | -1.0871 | |
| 396 | G | B | -2.0474 | |
| 397 | E | B | -2.7794 | |
| 398 | Q | B | -1.7011 | |
| 399 | H | B | -0.4589 | |
| 400 | V | B | 1.3601 | |
| 401 | I | B | 0.0376 | |
| 402 | K | B | -2.0966 | |
| 403 | G | B | -2.2857 | |
| 404 | R | B | -2.6838 | |
| 405 | P | B | -1.5913 | |
| 406 | V | B | 0.0000 | |
| 407 | S | B | 0.0000 | |
| 408 | S | B | -0.6566 | |
| 409 | S | B | -0.6390 | |
| 410 | F | B | 0.0482 | |
| 411 | D | B | -1.5469 | |
| 412 | P | B | -1.0291 | |
| 413 | V | B | -0.5008 | |
| 414 | K | B | -1.7293 | |
| 415 | F | B | -0.6244 | |
| 416 | P | B | -0.4559 | |
| 417 | P | B | -0.8088 | mutated: EP417B |
| 418 | D | B | 0.0000 | |
| 419 | Q | B | 0.0000 | |
| 420 | F | B | 0.0000 | |
| 421 | N | B | -0.3614 | |
| 422 | V | B | 0.0000 | |
| 423 | A | B | 0.0000 | |
| 424 | L | B | 0.0845 | |
| 425 | P | B | 0.0414 | |
| 426 | Q | B | -0.3621 | |
| 427 | V | B | 0.0000 | |
| 428 | F | B | 0.6446 | |
| 429 | E | B | -0.9285 | |
| 430 | N | B | 0.0000 | |
| 431 | I | B | 0.0000 | |
| 432 | E | B | -2.3406 | |
| 433 | N | B | -1.6079 | |
| 434 | S | B | -1.4445 | |
| 435 | Q | B | -1.9069 | |
| 436 | A | B | -1.4368 | |
| 437 | W | B | -0.7599 | |
| 438 | V | B | -0.9109 | |
| 439 | D | B | -2.0933 | |
| 440 | Q | B | -1.3963 | |
| 441 | F | B | -0.6801 | |
| 442 | N | B | -1.8070 | |
| 443 | R | B | -2.3356 | |
| 444 | I | B | 0.0000 | |
| 445 | L | B | -1.4122 | |
| 446 | S | B | -1.8084 | |
| 447 | S | B | -2.3880 | |
| 448 | A | B | -2.2541 | |
| 449 | E | B | -2.9141 | |
| 450 | K | B | -3.0256 | |
| 451 | G | B | -2.3811 | |
| 452 | N | B | -2.5102 | |
| 453 | T | B | -1.4891 | |
| 1 | L | C | 0.0558 | |
| 2 | K | C | -1.1906 | |
| 3 | E | C | 0.0000 | |
| 4 | S | C | 0.0000 | |
| 5 | Y | C | 0.3792 | |
| 6 | L | C | 0.0000 | |
| 7 | E | C | 0.0000 | |
| 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 | 0.2359 | |
| 14 | T | C | 0.0000 | |
| 15 | E | C | -0.3237 | |
| 16 | G | C | -0.0231 | |
| 17 | Y | C | 0.0000 | |
| 18 | L | C | 0.2587 | |
| 19 | S | C | 0.0000 | |
| 20 | V | C | 0.0000 | |
| 21 | L | C | 0.0000 | |
| 22 | R | C | -0.2091 | |
| 23 | T | C | 0.0763 | |
| 24 | G | C | -0.0553 | |
| 25 | W | C | -0.0200 | |
| 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 | -0.6082 | |
| 34 | V | C | -1.1058 | |
| 35 | G | C | -1.2395 | |
| 36 | D | C | -1.8799 | |
| 37 | V | C | 0.0000 | |
| 38 | E | C | -2.1343 | |
| 39 | N | C | -2.5661 | |
| 40 | L | C | 0.0000 | |
| 41 | T | C | -2.3613 | |
| 42 | C | C | 0.0000 | |
| 43 | A | C | -2.1458 | |
| 44 | D | C | -3.3344 | |
| 45 | G | C | -2.2265 | |
| 46 | P | C | -1.5334 | |
| 47 | S | C | -1.3875 | |
| 48 | L | C | 0.0000 | |
| 49 | I | C | 0.0000 | |
| 50 | K | C | -2.1873 | |
| 51 | T | C | -1.3647 | |
| 52 | E | C | 0.0000 | |
| 53 | L | C | 0.0000 | |
| 54 | D | C | -1.6794 | |
| 55 | L | C | 0.0000 | |
| 56 | T | C | 0.0000 | |
| 57 | K | C | -1.3497 | |
| 58 | S | C | -0.9784 | |
| 59 | A | C | 0.0000 | |
| 60 | L | C | -1.1204 | |
| 61 | R | C | -1.6649 | |
| 62 | E | C | 0.0000 | |
| 63 | L | C | 0.0000 | |
| 64 | K | C | -1.8782 | |
| 65 | T | C | -0.9803 | |
| 66 | V | C | -0.5756 | |
| 67 | S | C | -0.5363 | |
| 68 | A | C | -0.5630 | |
| 69 | D | C | -1.0539 | |
| 70 | Q | C | 0.0000 | |
| 71 | L | C | 0.0000 | |
| 72 | G | C | -0.1993 | |
| 73 | G | C | -0.4554 | |
| 74 | G | C | 0.0000 | |
| 75 | G | C | -0.7916 | |
| 76 | S | C | -0.6049 | |
| 77 | A | C | -0.2395 | |
| 78 | T | C | -0.3348 | |
| 79 | A | C | -0.1608 | |
| 80 | A | C | 0.2495 | |
| 81 | A | C | 0.1019 | |
| 82 | V | C | 0.0000 | |
| 83 | T | C | 0.2001 | |
| 84 | A | C | 0.1321 | |
| 85 | G | C | 0.0000 | |
| 86 | V | C | -0.1128 | |
| 87 | A | C | 0.0000 | |
| 88 | I | C | 0.0000 | |
| 89 | A | C | 0.0000 | |
| 90 | K | C | -1.1257 | |
| 91 | C | C | -0.5567 | |
| 92 | I | C | 0.0000 | |
| 93 | R | C | -0.8062 | |
| 94 | L | C | 0.3426 | |
| 95 | P | C | -0.2784 | |
| 96 | S | C | -0.3458 | |
| 97 | E | C | -0.6583 | |
| 98 | V | C | 0.0000 | |
| 99 | T | C | -0.8298 | |
| 100 | A | C | -0.9580 | |
| 101 | I | C | 0.0000 | |
| 102 | K | C | -2.0020 | |
| 103 | N | C | -2.6386 | |
| 104 | A | C | -2.1234 | |
| 105 | L | C | 0.0000 | |
| 106 | K | C | -3.5826 | |
| 107 | K | C | -3.3886 | |
| 108 | T | C | -2.2117 | |
| 109 | N | C | -2.3088 | |
| 110 | E | C | -1.2465 | |
| 111 | A | C | -0.5079 | |
| 112 | V | C | 1.2664 | |
| 113 | S | C | 0.5089 | |
| 114 | T | C | -0.2308 | |
| 115 | L | C | 0.0000 | |
| 116 | G | C | -1.0784 | |
| 117 | C | C | -0.9137 | |
| 118 | G | C | -0.7041 | |
| 119 | V | C | 0.0000 | |
| 120 | R | C | -0.8687 | |
| 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 | -1.2784 | |
| 128 | E | C | -1.8007 | |
| 129 | L | C | 0.0000 | |
| 130 | K | C | -2.0566 | |
| 131 | D | C | -2.9272 | |
| 132 | F | C | 0.0000 | |
| 133 | V | C | 0.0000 | |
| 134 | S | C | -2.3670 | |
| 135 | K | C | -2.9058 | |
| 136 | N | C | -2.2089 | |
| 137 | L | C | 0.0000 | |
| 138 | T | C | -2.6058 | |
| 139 | R | C | -2.9903 | |
| 140 | A | C | -2.5290 | |
| 141 | I | C | 0.0000 | |
| 142 | N | C | -3.6954 | |
| 143 | K | C | -4.1707 | |
| 144 | N | C | -3.7310 | |
| 145 | K | C | -3.4881 | |
| 146 | C | C | 0.0000 | |
| 147 | D | C | -3.0953 | |
| 148 | I | C | 0.0000 | |
| 149 | P | C | -1.9680 | |
| 150 | D | C | -2.6724 | |
| 151 | L | C | -1.8512 | |
| 152 | K | C | -1.3017 | |
| 153 | M | C | -0.8733 | |
| 154 | A | C | 0.0000 | |
| 155 | V | C | 0.0000 | |
| 156 | S | C | 0.0000 | |
| 157 | F | C | 0.0000 | |
| 158 | S | C | -0.2093 | |
| 159 | Q | C | -0.3572 | |
| 160 | F | C | 0.0000 | |
| 161 | N | C | 0.0000 | |
| 162 | R | C | -0.4679 | |
| 163 | R | C | -0.6306 | |
| 164 | F | C | 0.0000 | |
| 165 | L | C | 0.0000 | |
| 166 | N | C | -0.5001 | |
| 167 | V | C | 0.0000 | |
| 168 | V | C | 0.0000 | |
| 169 | Y | C | 0.0686 | mutated: RY169C |
| 170 | Q | C | 0.0000 | |
| 171 | F | C | 0.0000 | |
| 172 | I | C | 0.0000 | mutated: SI172C |
| 173 | H | C | -0.0084 | mutated: DH173C |
| 174 | Y | C | 0.0993 | mutated: NY174C |
| 175 | A | C | 0.0000 | |
| 176 | G | C | 0.0000 | |
| 177 | I | C | 0.2726 | |
| 178 | T | C | 0.0000 | |
| 179 | P | C | 0.2226 | |
| 180 | Y | C | 0.2706 | mutated: AY180C |
| 181 | I | C | 0.0000 | |
| 182 | S | C | 0.0000 | |
| 183 | L | C | 0.0000 | |
| 184 | D | C | -0.4628 | |
| 185 | L | C | 0.0000 | |
| 186 | M | C | 0.0000 | |
| 187 | T | C | -0.4911 | |
| 188 | D | C | -1.1651 | |
| 189 | A | C | -0.7354 | |
| 190 | E | C | -1.0372 | |
| 191 | L | C | 0.0000 | |
| 192 | A | C | -1.0943 | |
| 193 | R | C | -1.8209 | |
| 194 | A | C | 0.0000 | |
| 195 | V | C | 0.0000 | |
| 196 | S | C | -1.0861 | |
| 197 | N | C | -0.7435 | |
| 198 | M | C | -0.5678 | |
| 199 | P | C | -0.3497 | |
| 200 | T | C | -0.2796 | |
| 201 | S | C | -0.2260 | |
| 202 | A | C | -0.3823 | |
| 203 | G | C | -0.7010 | |
| 204 | Q | C | 0.0000 | |
| 205 | I | C | -0.5769 | |
| 206 | K | C | -1.6036 | |
| 207 | L | C | -0.7461 | |
| 208 | M | C | 0.0000 | |
| 209 | L | C | -0.7362 | |
| 210 | E | C | -1.7323 | |
| 211 | N | C | 0.0000 | |
| 212 | R | C | 0.0000 | |
| 213 | A | C | 0.0000 | |
| 214 | M | C | 0.0000 | |
| 215 | V | C | 0.0000 | |
| 216 | R | C | 0.0000 | |
| 217 | R | C | 0.0000 | |
| 218 | K | C | -0.4281 | |
| 219 | G | C | -0.0738 | |
| 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 | 0.0000 | |
| 226 | V | C | 0.2570 | |
| 227 | Y | C | 0.4907 | |
| 228 | G | C | -0.3479 | |
| 229 | S | C | -0.7456 | |
| 230 | S | C | 0.1861 | |
| 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 | 0.0000 | |
| 240 | F | C | 0.0000 | |
| 241 | G | C | 0.1130 | |
| 242 | V | C | -0.0147 | |
| 243 | I | C | -0.2076 | |
| 244 | D | C | -1.2117 | |
| 245 | T | C | 0.0000 | |
| 246 | P | C | -0.1470 | |
| 247 | C | C | 0.0000 | |
| 248 | W | C | 0.2199 | |
| 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 | 0.0000 | |
| 256 | C | C | -0.5514 | |
| 257 | S | C | -1.5251 | |
| 258 | E | C | -2.7686 | |
| 259 | K | C | -3.5229 | |
| 260 | K | C | -3.1489 | |
| 261 | G | C | -2.3664 | |
| 262 | N | C | -2.3443 | |
| 263 | Y | C | 0.0000 | |
| 264 | A | C | -1.1432 | |
| 265 | C | C | 0.0000 | |
| 266 | L | C | 0.0000 | |
| 267 | L | C | 0.0136 | |
| 268 | R | C | 0.0000 | |
| 269 | E | C | -1.4325 | |
| 270 | D | C | -2.2440 | |
| 271 | Q | C | -1.4407 | |
| 272 | G | C | 0.0000 | |
| 273 | W | C | 0.0000 | |
| 274 | Y | C | 0.0000 | |
| 275 | C | C | 0.0000 | |
| 276 | Q | C | -0.5272 | |
| 277 | N | C | -0.6321 | |
| 278 | A | C | -0.5859 | |
| 279 | G | C | -0.7821 | |
| 280 | S | C | -0.8204 | |
| 281 | T | C | 0.0000 | |
| 282 | V | C | 0.0000 | |
| 283 | Y | C | 0.0352 | |
| 284 | Y | C | 0.0000 | |
| 285 | P | C | -1.4303 | |
| 286 | N | C | -2.1938 | |
| 287 | E | C | -2.0378 | |
| 288 | K | C | -2.6054 | |
| 289 | D | C | -1.8924 | |
| 290 | C | C | 0.0000 | |
| 291 | E | C | -1.1122 | |
| 292 | T | C | 0.0000 | |
| 293 | R | C | -1.0265 | |
| 294 | G | C | -1.3090 | |
| 295 | D | C | -1.4586 | |
| 296 | H | C | 0.0000 | |
| 297 | V | C | 0.0000 | |
| 298 | F | C | 0.0000 | |
| 299 | C | C | 0.0000 | |
| 300 | D | C | -1.2465 | |
| 301 | T | C | 0.0000 | |
| 302 | A | C | -0.0556 | |
| 303 | A | C | -0.0976 | |
| 304 | G | C | -0.2484 | |
| 305 | I | C | 0.3962 | |
| 306 | N | C | 0.0000 | |
| 307 | V | C | -0.3999 | |
| 308 | A | C | 0.0000 | |
| 309 | E | C | -2.6332 | |
| 310 | Q | C | -2.1399 | |
| 311 | S | C | -1.5983 | |
| 312 | K | C | -1.8591 | |
| 313 | E | C | -2.2228 | |
| 314 | C | C | 0.0000 | |
| 315 | N | C | 0.0000 | |
| 316 | I | C | 0.9890 | |
| 317 | N | C | -0.3650 | |
| 318 | I | C | 0.0000 | |
| 319 | S | C | -0.0924 | |
| 320 | T | C | -0.4866 | |
| 321 | T | C | -0.9981 | |
| 322 | N | C | -1.4893 | |
| 323 | Y | C | -1.1731 | |
| 324 | P | C | -1.2271 | |
| 325 | C | C | 0.0000 | |
| 326 | K | C | -0.7504 | |
| 327 | V | C | 0.0000 | |
| 328 | S | C | 0.1623 | |
| 329 | T | C | 0.3539 | |
| 330 | G | C | 0.2725 | |
| 331 | R | C | 0.0000 | |
| 332 | H | C | -0.3664 | |
| 333 | P | C | -0.0660 | |
| 334 | I | C | 0.2178 | |
| 335 | S | C | 0.0000 | |
| 336 | M | C | 0.1049 | |
| 337 | V | C | 0.0000 | |
| 338 | A | C | -0.0400 | |
| 339 | L | C | 0.2255 | |
| 340 | S | C | 0.0000 | |
| 341 | P | C | 0.1689 | |
| 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 | -1.2476 | |
| 350 | K | C | -2.1569 | |
| 351 | G | C | -1.4910 | |
| 352 | V | C | -1.0698 | |
| 353 | S | C | -1.4165 | |
| 354 | C | C | 0.0000 | |
| 355 | S | C | -0.1899 | |
| 356 | I | C | 0.8195 | |
| 357 | G | C | 0.0000 | |
| 358 | S | C | 0.2995 | |
| 359 | N | C | 0.0689 | |
| 360 | R | C | 0.8833 | |
| 361 | V | C | 2.3006 | |
| 362 | G | C | 1.9479 | |
| 363 | I | C | 2.7961 | |
| 364 | I | C | 2.1012 | |
| 365 | K | C | -0.8215 | |
| 366 | Q | C | -1.3474 | |
| 367 | L | C | -1.2720 | |
| 368 | N | C | -2.3513 | |
| 369 | K | C | -1.7107 | |
| 370 | G | C | -0.6787 | |
| 371 | C | C | 0.0000 | |
| 372 | S | C | 0.3453 | |
| 373 | Y | C | 1.4971 | |
| 374 | I | C | 0.6818 | |
| 375 | T | C | -0.4531 | |
| 376 | N | C | 0.0000 | |
| 377 | Q | C | -1.7560 | |
| 378 | D | C | -2.1172 | |
| 379 | A | C | -0.6929 | |
| 380 | D | C | 0.0000 | |
| 381 | T | C | 0.0000 | |
| 382 | V | C | 0.0000 | |
| 383 | T | C | 0.3049 | |
| 384 | I | C | 0.0000 | |
| 385 | D | C | -0.8962 | |
| 386 | N | C | -0.4712 | |
| 387 | T | C | 0.0000 | |
| 388 | V | C | 0.4153 | |
| 389 | Y | C | 0.0000 | |
| 390 | Q | C | 0.0000 | |
| 391 | L | C | 0.0000 | |
| 392 | S | C | 0.0000 | |
| 393 | K | C | 0.0000 | |
| 394 | V | C | 0.3477 | |
| 395 | E | C | -0.5939 | |
| 396 | G | C | -1.2116 | |
| 397 | E | C | -2.7776 | |
| 398 | Q | C | -2.1657 | |
| 399 | H | C | -1.1562 | |
| 400 | V | C | 0.8537 | |
| 401 | I | C | 0.1029 | |
| 402 | K | C | -1.4643 | |
| 403 | G | C | -1.5682 | |
| 404 | R | C | -1.7373 | |
| 405 | P | C | -1.0697 | |
| 406 | V | C | -0.4088 | |
| 407 | S | C | -0.4427 | |
| 408 | S | C | -0.7992 | |
| 409 | S | C | -0.0253 | |
| 410 | F | C | 0.0000 | |
| 411 | D | C | -0.3542 | |
| 412 | P | C | -0.5026 | |
| 413 | V | C | -0.1981 | |
| 414 | K | C | -0.5669 | |
| 415 | F | C | -0.0315 | |
| 416 | P | C | -0.2590 | |
| 417 | P | C | -0.1704 | mutated: EP417C |
| 418 | D | C | 0.0000 | |
| 419 | Q | C | 0.0000 | |
| 420 | F | C | 1.4591 | |
| 421 | N | C | 0.3353 | |
| 422 | V | C | 0.0000 | |
| 423 | A | C | -0.3011 | |
| 424 | L | C | -0.1095 | |
| 425 | P | C | -0.1148 | |
| 426 | Q | C | -0.7286 | |
| 427 | V | C | 0.0000 | |
| 428 | F | C | 0.3821 | |
| 429 | E | C | -1.9005 | |
| 430 | N | C | -1.4549 | |
| 431 | I | C | 0.0000 | |
| 432 | E | C | -2.6461 | |
| 433 | N | C | -1.9937 | |
| 434 | S | C | 0.0000 | |
| 435 | Q | C | -2.2074 | |
| 436 | A | C | -1.5564 | |
| 437 | W | C | -0.8274 | |
| 438 | V | C | -0.7171 | |
| 439 | D | C | -2.3879 | |
| 440 | Q | C | -1.7502 | |
| 441 | F | C | -1.0037 | |
| 442 | N | C | -2.5046 | |
| 443 | R | C | -2.8894 | |
| 444 | I | C | 0.0000 | |
| 445 | L | C | -1.9924 | |
| 446 | S | C | -2.1674 | |
| 447 | S | C | -2.3559 | |
| 448 | A | C | 0.0000 | |
| 449 | E | C | -3.4397 | |
| 450 | K | C | -3.0278 | |
| 451 | G | C | -2.6177 | |
| 452 | N | C | -2.8209 | |
| 453 | T | C | -1.8156 |
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, -0.62 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_2 | -0.62 | View | CSV | PDB |
| model_3 | -0.6205 | View | CSV | PDB |
| model_9 | -0.6363 | View | CSV | PDB |
| model_10 | -0.6378 | View | CSV | PDB |
| input | -0.6402 | View | CSV | PDB |
| model_6 | -0.6429 | View | CSV | PDB |
| model_1 | -0.6449 | View | CSV | PDB |
| model_7 | -0.646 | View | CSV | PDB |
| model_0 | -0.6498 | View | CSV | PDB |
| CABS_average | -0.651 | View | CSV | PDB |
| model_8 | -0.6619 | View | CSV | PDB |
| model_4 | -0.6793 | View | CSV | PDB |
| model_5 | -0.6845 | View | CSV | PDB |
| model_11 | -0.6886 | 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