Project name: MPV_sd_469W470T472W474I476M477W [mutate: TC91A, NC117A, TC91C, NC117C, TC91B, NC117B, DP149A, DP149C, DP149B, EP417A, EP417C, EP417B, RY169A, RY169C, RY169B, SI172A, SI172C, SI172B, DH173A, DH173C, DH173B, NY174A, NY174C, NY174B, AY180C, AY180A, AY180B, NW433A, NW433C, NW433B, ST434A, ST434C, ST434B, AW436A, AW436C, AW436B, VI438C, VI438A, VI438B, QM440A, QM440C, QM440B, SW441A, SW441C, SW441B]
Status: done
Started: 2025-12-13 16:04:41
| 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 | SI172B,DH173B,AY180C,NC117A,QM440A,NC117B,TC91B,QM440B,NY174A,DH173A,SI172A,TC91A,TC91C,AY180B,NY174B,DH173C,SI172C,NY174C,SW441A,AW436B,AW436A,ST434A,NW433A,NC117C,SW441C,QM440C,AY180A,RY169B,EP417B,DP149B,EP417A,VI438B,NW433B,DP149A,RY169A,ST434B,EP417C,RY169C,DP149C,VI438C,SW441B,VI438A,NW433C,ST434C,AW436C |
| Energy difference between WT (input) and mutated protein (by FoldX) | -21.9774 kcal/mol |
| 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 (00:30:10)
[INFO] CABS: Running CABS flex simulation (01:23:06)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (08:49:53)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (08:50:20)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (08:50:48)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (08:51:16)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (08:51:43)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (08:52:11)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (08:52:38)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (08:53:06)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (08:53:34)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (08:54:01)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (08:54:29)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (08:54:56)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (08:55:24)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (08:56:19)
[INFO] Main: Simulation completed successfully. (08:56:45)
|
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
- -4.1493
- Maximal score value
- 1.8588
- Average score
- -0.5967
- Total score value
- -810.8707
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 | -0.4616 | |
| 2 | K | A | -1.4153 | |
| 3 | E | A | 0.0000 | |
| 4 | S | A | -0.6448 | |
| 5 | Y | A | -0.1244 | |
| 6 | L | A | 0.0000 | |
| 7 | E | A | -1.5423 | |
| 8 | E | A | 0.0000 | |
| 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 | -1.2679 | |
| 16 | G | A | -0.6483 | |
| 17 | Y | A | 0.0000 | |
| 18 | L | A | -0.6747 | |
| 19 | S | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | R | A | -0.0196 | |
| 23 | T | A | 0.3080 | |
| 24 | G | A | 0.2591 | |
| 25 | W | A | -0.0407 | |
| 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 | -1.5290 | |
| 34 | V | A | 0.0000 | |
| 35 | G | A | -0.8892 | |
| 36 | D | A | -1.2704 | |
| 37 | V | A | -1.4242 | |
| 38 | E | A | -2.4724 | |
| 39 | N | A | -1.9387 | |
| 40 | L | A | -0.3652 | |
| 41 | T | A | -0.4562 | |
| 42 | C | A | -0.1431 | |
| 43 | A | A | -0.3180 | |
| 44 | D | A | -1.0845 | |
| 45 | G | A | 0.0000 | |
| 46 | P | A | -0.7950 | |
| 47 | S | A | 0.0000 | |
| 48 | L | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | K | A | 0.0000 | |
| 51 | T | A | -0.3996 | |
| 52 | E | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | D | A | -1.3715 | |
| 55 | L | A | -0.4324 | |
| 56 | T | A | 0.0000 | |
| 57 | K | A | -1.5409 | |
| 58 | S | A | 0.0000 | |
| 59 | A | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | R | A | -1.7622 | |
| 62 | E | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -2.0034 | |
| 65 | T | A | -1.4083 | |
| 66 | V | A | 0.0000 | |
| 67 | S | A | -0.9936 | |
| 68 | A | A | -1.2200 | |
| 69 | D | A | -1.5138 | |
| 70 | Q | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | 0.0000 | |
| 73 | G | A | 0.0000 | |
| 74 | G | A | -0.8386 | |
| 75 | G | A | -0.8798 | |
| 76 | S | A | -0.5362 | |
| 77 | A | A | -0.2671 | |
| 78 | T | A | -0.0625 | |
| 79 | A | A | -0.2210 | |
| 80 | A | A | 0.0000 | |
| 81 | A | A | 0.0000 | |
| 82 | V | A | 0.0000 | |
| 83 | T | A | 0.0607 | |
| 84 | A | A | 0.0000 | |
| 85 | G | A | 0.0000 | |
| 86 | V | A | -0.0905 | |
| 87 | A | A | -0.2199 | |
| 88 | I | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | K | A | -1.0501 | |
| 91 | C | A | -0.5705 | mutated: TC91A |
| 92 | I | A | 0.0000 | |
| 93 | R | A | -2.0114 | |
| 94 | L | A | -0.7492 | |
| 95 | E | A | -1.9210 | |
| 96 | S | A | -1.2691 | |
| 97 | E | A | -1.1496 | |
| 98 | V | A | -1.1879 | |
| 99 | T | A | -1.1762 | |
| 100 | A | A | -1.2163 | |
| 101 | I | A | 0.0000 | |
| 102 | K | A | -2.0673 | |
| 103 | N | A | -2.7125 | |
| 104 | A | A | -1.9013 | |
| 105 | L | A | 0.0000 | |
| 106 | K | A | -3.6400 | |
| 107 | K | A | -3.3641 | |
| 108 | T | A | -2.6157 | |
| 109 | N | A | -1.9418 | |
| 110 | E | A | -1.1367 | |
| 111 | A | A | -0.4715 | |
| 112 | V | A | 1.1314 | |
| 113 | S | A | 0.3188 | |
| 114 | T | A | -0.3751 | |
| 115 | L | A | -0.5855 | |
| 116 | G | A | -1.1446 | |
| 117 | C | A | -0.9753 | mutated: NC117A |
| 118 | G | A | -1.0325 | |
| 119 | V | A | -0.8676 | |
| 120 | R | A | -1.5224 | |
| 121 | V | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | A | A | 0.0000 | |
| 124 | T | A | 0.0000 | |
| 125 | A | A | -1.3282 | |
| 126 | V | A | -1.1739 | |
| 127 | R | A | -2.5556 | |
| 128 | E | A | -1.9191 | |
| 129 | L | A | 0.0000 | |
| 130 | K | A | -2.2865 | |
| 131 | D | A | -2.1911 | |
| 132 | F | A | 0.0000 | |
| 133 | V | A | -1.6024 | |
| 134 | S | A | -2.1170 | |
| 135 | K | A | -2.8716 | |
| 136 | N | A | -2.8547 | |
| 137 | L | A | 0.0000 | |
| 138 | T | A | -2.2150 | |
| 139 | R | A | -3.2905 | |
| 140 | A | A | 0.0000 | |
| 141 | I | A | 0.0000 | |
| 142 | N | A | -2.5692 | |
| 143 | K | A | -3.4419 | |
| 144 | N | A | -3.0321 | |
| 145 | K | A | -2.5093 | |
| 146 | C | A | 0.0000 | |
| 147 | D | A | -2.5023 | |
| 148 | I | A | 0.0000 | |
| 149 | P | A | -1.8692 | mutated: DP149A |
| 150 | D | A | -2.3787 | |
| 151 | L | A | 0.0000 | |
| 152 | K | A | -1.8804 | |
| 153 | M | A | -0.9351 | |
| 154 | A | A | 0.0000 | |
| 155 | V | A | 0.0000 | |
| 156 | S | A | -0.3167 | |
| 157 | F | A | 0.0000 | |
| 158 | S | A | -0.3435 | |
| 159 | Q | A | -0.5421 | |
| 160 | F | A | 0.0000 | |
| 161 | N | A | 0.0000 | |
| 162 | R | A | -1.3175 | |
| 163 | R | A | -1.1172 | |
| 164 | F | A | 0.0000 | |
| 165 | L | A | -0.4540 | |
| 166 | N | A | -0.7952 | |
| 167 | V | A | 0.0000 | |
| 168 | V | A | 0.0000 | |
| 169 | Y | A | -0.1331 | mutated: RY169A |
| 170 | Q | A | -0.3766 | |
| 171 | F | A | 0.0000 | |
| 172 | I | A | 0.0000 | mutated: SI172A |
| 173 | H | A | -0.8187 | mutated: DH173A |
| 174 | Y | A | 0.0000 | mutated: NY174A |
| 175 | A | A | 0.0000 | |
| 176 | G | A | 0.0000 | |
| 177 | I | A | 0.0000 | |
| 178 | T | A | 0.0000 | |
| 179 | P | A | -0.2650 | |
| 180 | Y | A | -0.2383 | mutated: AY180A |
| 181 | I | A | 0.0000 | |
| 182 | S | A | -0.3947 | |
| 183 | L | A | 0.0000 | |
| 184 | D | A | -0.6754 | |
| 185 | L | A | 0.0000 | |
| 186 | M | A | 0.0000 | |
| 187 | T | A | -0.2429 | |
| 188 | D | A | 0.0000 | |
| 189 | A | A | -0.5569 | |
| 190 | E | A | -0.8744 | |
| 191 | L | A | 0.0000 | |
| 192 | A | A | -1.5213 | |
| 193 | R | A | -2.3391 | |
| 194 | A | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | S | A | -1.8472 | |
| 197 | N | A | -1.8632 | |
| 198 | M | A | -1.3551 | |
| 199 | P | A | -0.7221 | |
| 200 | T | A | 0.0000 | |
| 201 | S | A | -0.6235 | |
| 202 | A | A | -0.7511 | |
| 203 | G | A | -0.7969 | |
| 204 | Q | A | -0.5594 | |
| 205 | I | A | -1.0771 | |
| 206 | K | A | -1.8408 | |
| 207 | L | A | -0.8133 | |
| 208 | M | A | 0.0000 | |
| 209 | L | A | -1.2642 | |
| 210 | E | A | -2.1251 | |
| 211 | N | A | -1.3029 | |
| 212 | R | A | -1.1487 | |
| 213 | A | A | 0.0000 | |
| 214 | M | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | R | A | 0.0000 | |
| 217 | R | A | -1.0243 | |
| 218 | K | A | -0.6120 | |
| 219 | G | A | 0.0000 | |
| 220 | F | A | 0.0164 | |
| 221 | G | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | L | A | 0.0000 | |
| 224 | I | A | 0.0000 | |
| 225 | G | A | -0.2833 | |
| 226 | V | A | 0.1731 | |
| 227 | Y | A | 0.7005 | |
| 228 | G | A | -0.3174 | |
| 229 | S | A | -0.1616 | |
| 230 | S | A | -0.4142 | |
| 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 | 0.2802 | |
| 242 | V | A | 0.3639 | |
| 243 | I | A | -0.0831 | |
| 244 | D | A | -1.3965 | |
| 245 | T | A | 0.0000 | |
| 246 | P | A | -0.8980 | |
| 247 | C | A | 0.0000 | |
| 248 | W | A | -0.6420 | |
| 249 | I | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | K | A | -0.8064 | |
| 252 | A | A | -0.2833 | |
| 253 | A | A | 0.0000 | |
| 254 | P | A | 0.0000 | |
| 255 | S | A | 0.0448 | |
| 256 | C | A | -0.2342 | |
| 257 | S | A | -1.5091 | |
| 258 | E | A | -3.2079 | |
| 259 | K | A | -3.6221 | |
| 260 | K | A | -3.2985 | |
| 261 | G | A | -1.8087 | |
| 262 | N | A | -1.8223 | |
| 263 | Y | A | -1.3743 | |
| 264 | A | A | 0.0000 | |
| 265 | C | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | L | A | 0.3107 | |
| 268 | R | A | 0.0000 | |
| 269 | E | A | -1.0403 | |
| 270 | D | A | 0.0000 | |
| 271 | Q | A | -1.6042 | |
| 272 | G | A | 0.0000 | |
| 273 | W | A | 0.0000 | |
| 274 | Y | A | 0.0000 | |
| 275 | C | A | 0.0000 | |
| 276 | Q | A | -1.0316 | |
| 277 | N | A | -1.4182 | |
| 278 | A | A | -0.7179 | |
| 279 | G | A | -0.8725 | |
| 280 | S | A | -0.8386 | |
| 281 | T | A | 0.0000 | |
| 282 | V | A | 0.0000 | |
| 283 | Y | A | 0.0000 | |
| 284 | Y | A | -0.5350 | |
| 285 | P | A | -1.3879 | |
| 286 | N | A | -2.4681 | |
| 287 | E | A | -2.6606 | |
| 288 | K | A | -2.6868 | |
| 289 | D | A | 0.0000 | |
| 290 | C | A | 0.0000 | |
| 291 | E | A | -1.3896 | |
| 292 | T | A | -1.2012 | |
| 293 | R | A | 0.0000 | |
| 294 | G | A | -1.3594 | |
| 295 | D | A | -1.9142 | |
| 296 | H | A | -1.4156 | |
| 297 | V | A | 0.0000 | |
| 298 | F | A | 0.0000 | |
| 299 | C | A | 0.0000 | |
| 300 | D | A | -0.7769 | |
| 301 | T | A | 0.0000 | |
| 302 | A | A | 0.1765 | |
| 303 | A | A | -0.0131 | |
| 304 | G | A | -0.0099 | |
| 305 | I | A | 0.4052 | |
| 306 | N | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | A | A | -0.3487 | |
| 309 | E | A | -1.0660 | |
| 310 | Q | A | 0.0000 | |
| 311 | S | A | 0.0000 | |
| 312 | K | A | -1.9463 | |
| 313 | E | A | -1.1419 | |
| 314 | C | A | 0.0000 | |
| 315 | N | A | 0.0000 | |
| 316 | I | A | 0.0000 | |
| 317 | N | A | -0.9406 | |
| 318 | I | A | 0.1332 | |
| 319 | S | A | 0.0274 | |
| 320 | T | A | -0.0732 | |
| 321 | T | A | -0.1414 | |
| 322 | N | A | -0.0308 | |
| 323 | Y | A | 0.1842 | |
| 324 | P | A | -0.1643 | |
| 325 | C | A | 0.0000 | |
| 326 | K | A | -0.4130 | |
| 327 | V | A | 0.0000 | |
| 328 | S | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | G | A | 0.2672 | |
| 331 | R | A | -0.3877 | |
| 332 | H | A | -0.2505 | |
| 333 | P | A | 0.0297 | |
| 334 | I | A | 0.6638 | |
| 335 | S | A | 0.0000 | |
| 336 | M | A | 0.8883 | |
| 337 | V | A | 0.6684 | |
| 338 | A | A | 0.0000 | |
| 339 | L | A | 0.2198 | |
| 340 | S | A | 0.0000 | |
| 341 | P | A | -0.0744 | |
| 342 | L | A | -0.1607 | |
| 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 | -0.8356 | |
| 350 | K | A | -2.2348 | |
| 351 | G | A | -1.2758 | |
| 352 | V | A | 0.0000 | |
| 353 | S | A | -1.8212 | |
| 354 | C | A | 0.0000 | |
| 355 | S | A | -1.1605 | |
| 356 | I | A | 0.0000 | |
| 357 | G | A | -0.3362 | |
| 358 | S | A | 0.0000 | |
| 359 | N | A | -0.9849 | |
| 360 | R | A | -1.8281 | |
| 361 | V | A | -0.0363 | |
| 362 | G | A | -0.0233 | |
| 363 | I | A | 0.5924 | |
| 364 | I | A | 1.1193 | |
| 365 | K | A | -1.1982 | |
| 366 | Q | A | -1.8667 | |
| 367 | L | A | -1.7508 | |
| 368 | N | A | -2.4843 | |
| 369 | K | A | -2.5601 | |
| 370 | G | A | -1.2363 | |
| 371 | C | A | -0.2743 | |
| 372 | S | A | -0.3404 | |
| 373 | Y | A | -0.0434 | |
| 374 | I | A | 0.0000 | |
| 375 | T | A | -0.5518 | |
| 376 | N | A | 0.0000 | |
| 377 | Q | A | -1.2183 | |
| 378 | D | A | -1.0792 | |
| 379 | A | A | 0.0000 | |
| 380 | D | A | 0.0000 | |
| 381 | T | A | -0.2528 | |
| 382 | V | A | 0.0000 | |
| 383 | T | A | -0.6539 | |
| 384 | I | A | 0.0000 | |
| 385 | D | A | -2.1075 | |
| 386 | N | A | -0.8273 | |
| 387 | T | A | 0.0000 | |
| 388 | V | A | -0.0415 | |
| 389 | Y | A | 0.0000 | |
| 390 | Q | A | -0.1772 | |
| 391 | L | A | 0.0000 | |
| 392 | S | A | -0.3825 | |
| 393 | K | A | 0.1216 | |
| 394 | V | A | 0.7003 | |
| 395 | E | A | -0.6531 | |
| 396 | G | A | -0.9374 | |
| 397 | E | A | -1.8752 | |
| 398 | Q | A | -1.2616 | |
| 399 | H | A | -0.6141 | |
| 400 | V | A | 0.7302 | |
| 401 | I | A | -0.2529 | |
| 402 | K | A | -1.6140 | |
| 403 | G | A | -1.6426 | |
| 404 | R | A | -1.6062 | |
| 405 | P | A | -1.2547 | |
| 406 | V | A | 0.0000 | |
| 407 | S | A | 0.0000 | |
| 408 | S | A | -0.9743 | |
| 409 | S | A | -0.4743 | |
| 410 | F | A | 0.1666 | |
| 411 | D | A | -0.8456 | |
| 412 | P | A | 0.0000 | |
| 413 | V | A | 1.4387 | |
| 414 | K | A | 0.2800 | |
| 415 | F | A | 0.0000 | |
| 416 | P | A | -0.1611 | |
| 417 | P | A | 0.0000 | mutated: EP417A |
| 418 | D | A | 0.0000 | |
| 419 | Q | A | 0.0000 | |
| 420 | F | A | 0.8858 | |
| 421 | N | A | -0.0109 | |
| 422 | V | A | 0.0000 | |
| 423 | A | A | 0.0000 | |
| 424 | L | A | 0.0000 | |
| 425 | D | A | -0.1330 | |
| 426 | Q | A | 0.0000 | |
| 427 | V | A | 0.0000 | |
| 428 | F | A | 0.5186 | |
| 429 | E | A | -0.4766 | |
| 430 | N | A | -0.3866 | |
| 431 | I | A | 0.2724 | |
| 432 | E | A | -0.5705 | |
| 433 | W | A | 0.2432 | mutated: NW433A |
| 434 | T | A | 0.1080 | mutated: ST434A |
| 435 | Q | A | -0.4122 | |
| 436 | W | A | 0.0404 | mutated: AW436A |
| 437 | L | A | 0.2783 | |
| 438 | I | A | -0.1852 | mutated: VI438A |
| 439 | D | A | -1.4579 | |
| 440 | M | A | -0.7258 | mutated: QM440A |
| 441 | W | A | -0.4879 | mutated: SW441A |
| 442 | N | A | -1.2959 | |
| 443 | R | A | -2.2687 | |
| 444 | I | A | 0.0000 | |
| 445 | L | A | -1.0941 | |
| 446 | S | A | -2.0420 | |
| 447 | S | A | -2.1074 | |
| 448 | A | A | -2.1774 | |
| 449 | E | A | -3.1404 | |
| 450 | K | A | -3.2044 | |
| 451 | G | A | -2.6204 | |
| 452 | N | A | -2.8755 | |
| 453 | T | A | -1.3980 | |
| 1 | L | B | -0.3331 | |
| 2 | K | B | -1.8535 | |
| 3 | E | B | 0.0000 | |
| 4 | S | B | -0.6321 | |
| 5 | Y | B | 0.0000 | |
| 6 | L | B | 0.0000 | |
| 7 | E | B | -2.1232 | |
| 8 | E | B | -2.5894 | |
| 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 | -1.3083 | |
| 16 | G | B | -0.3837 | |
| 17 | Y | B | 0.0000 | |
| 18 | L | B | -0.5055 | |
| 19 | S | B | 0.0000 | |
| 20 | V | B | 0.0000 | |
| 21 | L | B | 0.0000 | |
| 22 | R | B | -0.3879 | |
| 23 | T | B | -0.0983 | |
| 24 | G | B | 0.0915 | |
| 25 | W | B | -0.0738 | |
| 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 | -1.4244 | |
| 34 | V | B | 0.0000 | |
| 35 | G | B | 0.0000 | |
| 36 | D | B | -2.7864 | |
| 37 | V | B | 0.0000 | |
| 38 | E | B | -2.5335 | |
| 39 | N | B | -2.8680 | |
| 40 | L | B | 0.0000 | |
| 41 | T | B | -2.0994 | |
| 42 | C | B | -1.6009 | |
| 43 | A | B | -0.9881 | |
| 44 | D | B | -2.1496 | |
| 45 | G | B | -1.8252 | |
| 46 | P | B | -1.4662 | |
| 47 | S | B | -1.1869 | |
| 48 | L | B | 0.0000 | |
| 49 | I | B | 0.0000 | |
| 50 | K | B | -1.6045 | |
| 51 | T | B | -0.9768 | |
| 52 | E | B | 0.0000 | |
| 53 | L | B | 0.0000 | |
| 54 | D | B | -1.5786 | |
| 55 | L | B | 0.0000 | |
| 56 | T | B | 0.0000 | |
| 57 | K | B | -1.6680 | |
| 58 | S | B | -1.1661 | |
| 59 | A | B | 0.0000 | |
| 60 | L | B | -0.8637 | |
| 61 | R | B | -1.4137 | |
| 62 | E | B | 0.0000 | |
| 63 | L | B | 0.0000 | |
| 64 | K | B | -1.6848 | |
| 65 | T | B | -1.1121 | |
| 66 | V | B | 0.0000 | |
| 67 | S | B | -0.8414 | |
| 68 | A | B | 0.0000 | |
| 69 | D | B | -1.1686 | |
| 70 | Q | B | 0.0000 | |
| 71 | L | B | -0.2229 | |
| 72 | G | B | 0.0000 | |
| 73 | G | B | 0.0000 | |
| 74 | G | B | -0.6992 | |
| 75 | G | B | -0.8554 | |
| 76 | S | B | -0.4851 | |
| 77 | A | B | -0.2219 | |
| 78 | T | B | -0.1973 | |
| 79 | A | B | -0.1333 | |
| 80 | A | B | 0.0000 | |
| 81 | A | B | 0.1264 | |
| 82 | V | B | 0.0000 | |
| 83 | T | B | 0.0000 | |
| 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 | -2.4297 | |
| 91 | C | B | 0.0000 | mutated: TC91B |
| 92 | I | B | 0.0000 | |
| 93 | R | B | -2.3454 | |
| 94 | L | B | -0.7411 | |
| 95 | E | B | -1.4692 | |
| 96 | S | B | -0.7734 | |
| 97 | E | B | -0.9358 | |
| 98 | V | B | 0.0000 | |
| 99 | T | B | -0.8625 | |
| 100 | A | B | -0.8095 | |
| 101 | I | B | 0.0000 | |
| 102 | K | B | -1.7462 | |
| 103 | N | B | -2.2980 | |
| 104 | A | B | -1.6563 | |
| 105 | L | B | 0.0000 | |
| 106 | K | B | -3.5489 | |
| 107 | K | B | -3.2695 | |
| 108 | T | B | -2.4031 | |
| 109 | N | B | -2.5513 | |
| 110 | E | B | -2.1177 | |
| 111 | A | B | -0.3961 | |
| 112 | V | B | 1.2267 | |
| 113 | S | B | 0.3747 | |
| 114 | T | B | -0.0644 | |
| 115 | L | B | 0.0000 | |
| 116 | G | B | -0.5207 | |
| 117 | C | B | -0.1367 | mutated: NC117B |
| 118 | G | B | -0.4491 | |
| 119 | V | B | 0.0000 | |
| 120 | R | B | -0.6299 | |
| 121 | V | B | 0.0000 | |
| 122 | L | B | 0.0000 | |
| 123 | A | B | 0.0000 | |
| 124 | T | B | 0.0000 | |
| 125 | A | B | -1.5515 | |
| 126 | V | B | -1.1451 | |
| 127 | R | B | -2.0595 | |
| 128 | E | B | -1.7914 | |
| 129 | L | B | 0.0000 | |
| 130 | K | B | -2.3419 | |
| 131 | D | B | -2.4317 | |
| 132 | F | B | 0.0000 | |
| 133 | V | B | 0.0000 | |
| 134 | S | B | -2.2813 | |
| 135 | K | B | -2.8167 | |
| 136 | N | B | -2.4918 | |
| 137 | L | B | 0.0000 | |
| 138 | T | B | -2.4300 | |
| 139 | R | B | -2.9417 | |
| 140 | A | B | -2.5740 | |
| 141 | I | B | 0.0000 | |
| 142 | N | B | -3.5516 | |
| 143 | K | B | -4.1493 | |
| 144 | N | B | -3.5336 | |
| 145 | K | B | -3.3873 | |
| 146 | C | B | 0.0000 | |
| 147 | D | B | -2.7261 | |
| 148 | I | B | 0.0000 | |
| 149 | P | B | -1.4879 | mutated: DP149B |
| 150 | D | B | -1.4511 | |
| 151 | L | B | -1.3983 | |
| 152 | K | B | -1.0490 | |
| 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 | -0.0019 | |
| 159 | Q | B | 0.0000 | |
| 160 | F | B | -0.1406 | |
| 161 | N | B | 0.0000 | |
| 162 | R | B | 0.0000 | |
| 163 | R | B | 0.0000 | |
| 164 | F | B | 0.0000 | |
| 165 | L | B | -0.0181 | |
| 166 | N | B | -0.3644 | |
| 167 | V | B | 0.0000 | |
| 168 | V | B | 0.0000 | |
| 169 | Y | B | -0.0435 | mutated: RY169B |
| 170 | Q | B | -0.3001 | |
| 171 | F | B | 0.0000 | |
| 172 | I | B | 0.0000 | mutated: SI172B |
| 173 | H | B | -0.2155 | 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 | -0.2898 | |
| 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 | -0.3213 | |
| 185 | L | B | -0.0712 | |
| 186 | M | B | 0.0000 | |
| 187 | T | B | -0.3157 | |
| 188 | D | B | -0.7731 | |
| 189 | A | B | -0.7431 | |
| 190 | E | B | -0.8915 | |
| 191 | L | B | 0.0000 | |
| 192 | A | B | -1.1484 | |
| 193 | R | B | -2.2954 | |
| 194 | A | B | 0.0000 | |
| 195 | V | B | 0.0000 | |
| 196 | S | B | -1.2033 | |
| 197 | N | B | -1.0484 | |
| 198 | M | B | -0.2186 | |
| 199 | P | B | -0.0806 | |
| 200 | T | B | -0.1602 | |
| 201 | S | B | -0.1709 | |
| 202 | A | B | -0.3411 | |
| 203 | G | B | -0.4764 | |
| 204 | Q | B | -0.3291 | |
| 205 | I | B | -0.5877 | |
| 206 | K | B | -1.2584 | |
| 207 | L | B | -0.6112 | |
| 208 | M | B | 0.0000 | |
| 209 | L | B | -0.7230 | |
| 210 | E | B | -1.2492 | |
| 211 | N | B | 0.0000 | |
| 212 | R | B | -0.7563 | |
| 213 | A | B | 0.0000 | |
| 214 | M | B | 0.0000 | |
| 215 | V | B | 0.0000 | |
| 216 | R | B | 0.0000 | |
| 217 | R | B | 0.0000 | |
| 218 | K | B | -0.4010 | |
| 219 | G | B | 0.0000 | |
| 220 | F | B | 0.1071 | |
| 221 | G | B | 0.0000 | |
| 222 | I | B | 0.0000 | |
| 223 | L | B | 0.0000 | |
| 224 | I | B | -0.6548 | |
| 225 | G | B | -0.5180 | |
| 226 | V | B | -0.0110 | |
| 227 | Y | B | 0.2086 | |
| 228 | G | B | -0.1492 | |
| 229 | S | B | -0.5103 | |
| 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 | 0.1012 | |
| 242 | V | B | 0.2849 | |
| 243 | I | B | -0.3552 | |
| 244 | D | B | -1.4065 | |
| 245 | T | B | 0.0000 | |
| 246 | P | B | -0.7005 | |
| 247 | C | B | 0.0000 | |
| 248 | W | B | -0.3543 | |
| 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 | -0.7062 | |
| 257 | S | B | 0.0000 | |
| 258 | E | B | -3.3224 | |
| 259 | K | B | -3.6566 | |
| 260 | K | B | -3.0726 | |
| 261 | G | B | -1.9315 | |
| 262 | N | B | -2.1765 | |
| 263 | Y | B | -1.6721 | |
| 264 | A | B | 0.0000 | |
| 265 | C | B | 0.0000 | |
| 266 | L | B | 0.0000 | |
| 267 | L | B | -0.4026 | |
| 268 | R | B | 0.0000 | |
| 269 | E | B | -1.3660 | |
| 270 | D | B | -2.2481 | |
| 271 | Q | B | -1.6709 | |
| 272 | G | B | 0.0000 | |
| 273 | W | B | 0.0000 | |
| 274 | Y | B | 0.0000 | |
| 275 | C | B | 0.0000 | |
| 276 | Q | B | -0.6296 | |
| 277 | N | B | 0.0000 | |
| 278 | A | B | -0.4216 | |
| 279 | G | B | -0.7123 | |
| 280 | S | B | -0.5540 | |
| 281 | T | B | -0.3940 | |
| 282 | V | B | 0.0000 | |
| 283 | Y | B | 0.0396 | |
| 284 | Y | B | -0.4635 | |
| 285 | P | B | -1.2965 | |
| 286 | N | B | -2.2992 | |
| 287 | E | B | -1.9509 | |
| 288 | K | B | -2.5283 | |
| 289 | D | B | -1.7203 | |
| 290 | C | B | 0.0000 | |
| 291 | E | B | -1.0908 | |
| 292 | T | B | -0.8542 | |
| 293 | R | B | -0.8935 | |
| 294 | G | B | -1.1165 | |
| 295 | D | B | -0.8213 | |
| 296 | H | B | 0.0000 | |
| 297 | V | B | 0.0000 | |
| 298 | F | B | 0.0000 | |
| 299 | C | B | 0.0000 | |
| 300 | D | B | -0.5947 | |
| 301 | T | B | 0.0000 | |
| 302 | A | B | 0.0367 | |
| 303 | A | B | -0.0970 | |
| 304 | G | B | 0.0000 | |
| 305 | I | B | 0.4099 | |
| 306 | N | B | 0.0000 | |
| 307 | V | B | 0.0000 | |
| 308 | A | B | -0.0054 | |
| 309 | E | B | -0.1763 | |
| 310 | Q | B | 0.0000 | |
| 311 | S | B | 0.0000 | |
| 312 | K | B | -0.4156 | |
| 313 | E | B | 0.0000 | |
| 314 | C | B | 0.0000 | |
| 315 | N | B | 0.0000 | |
| 316 | I | B | -0.2907 | |
| 317 | N | B | -0.7316 | |
| 318 | I | B | 0.9678 | |
| 319 | S | B | 0.0686 | |
| 320 | T | B | -0.3253 | |
| 321 | T | B | -0.4241 | |
| 322 | N | B | -0.9854 | |
| 323 | Y | B | 0.0923 | |
| 324 | P | B | 0.0000 | |
| 325 | C | B | 0.0000 | |
| 326 | K | B | -0.7896 | |
| 327 | V | B | 0.0000 | |
| 328 | S | B | -0.3349 | |
| 329 | T | B | 0.0000 | |
| 330 | G | B | 0.0000 | |
| 331 | R | B | -0.4051 | |
| 332 | H | B | -0.1755 | |
| 333 | P | B | -0.2025 | |
| 334 | I | B | 0.0000 | |
| 335 | S | B | 0.0000 | |
| 336 | M | B | 0.3078 | |
| 337 | V | B | 0.4456 | |
| 338 | A | B | 0.0813 | |
| 339 | L | B | 0.2992 | |
| 340 | S | B | 0.0000 | |
| 341 | P | B | -0.4420 | |
| 342 | L | B | -0.9770 | |
| 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 | -1.7153 | |
| 350 | K | B | -2.6636 | |
| 351 | G | B | -1.5336 | |
| 352 | V | B | -0.4433 | |
| 353 | S | B | -0.9959 | |
| 354 | C | B | 0.0000 | |
| 355 | S | B | -0.7390 | |
| 356 | I | B | 0.0000 | |
| 357 | G | B | -0.1239 | |
| 358 | S | B | -1.0298 | |
| 359 | N | B | -1.5667 | |
| 360 | R | B | -2.4222 | |
| 361 | V | B | -1.2099 | |
| 362 | G | B | -0.8335 | |
| 363 | I | B | -0.3008 | |
| 364 | I | B | 0.7786 | |
| 365 | K | B | -1.4285 | |
| 366 | Q | B | -1.7313 | |
| 367 | L | B | -1.4358 | |
| 368 | N | B | -2.0946 | |
| 369 | K | B | -2.5710 | |
| 370 | G | B | -1.6088 | |
| 371 | C | B | -0.5981 | |
| 372 | S | B | 0.0000 | |
| 373 | Y | B | 0.1626 | |
| 374 | I | B | -0.0194 | |
| 375 | T | B | -0.9191 | |
| 376 | N | B | 0.0000 | |
| 377 | Q | B | -2.1186 | |
| 378 | D | B | -1.8184 | |
| 379 | A | B | 0.0000 | |
| 380 | D | B | -1.4306 | |
| 381 | T | B | -0.4125 | |
| 382 | V | B | 0.0000 | |
| 383 | T | B | -0.0482 | |
| 384 | I | B | 0.0000 | |
| 385 | D | B | -0.8602 | |
| 386 | N | B | -0.5287 | |
| 387 | T | B | 0.0000 | |
| 388 | V | B | 0.9310 | |
| 389 | Y | B | 0.0000 | |
| 390 | Q | B | 0.0301 | |
| 391 | L | B | 0.0000 | |
| 392 | S | B | 0.0000 | |
| 393 | K | B | -1.0235 | |
| 394 | V | B | -0.9855 | |
| 395 | E | B | -2.0253 | |
| 396 | G | B | -1.8921 | |
| 397 | E | B | -2.5772 | |
| 398 | Q | B | -1.7800 | |
| 399 | H | B | -1.3728 | |
| 400 | V | B | -0.1753 | |
| 401 | I | B | -0.6948 | |
| 402 | K | B | -2.5143 | |
| 403 | G | B | -2.4910 | |
| 404 | R | B | -3.0228 | |
| 405 | P | B | 0.0000 | |
| 406 | V | B | 0.0000 | |
| 407 | S | B | 0.0000 | |
| 408 | S | B | -1.5706 | |
| 409 | S | B | -1.0540 | |
| 410 | F | B | 0.0000 | |
| 411 | D | B | -2.2083 | |
| 412 | P | B | -0.6653 | |
| 413 | V | B | 0.0840 | |
| 414 | K | B | -0.6190 | |
| 415 | F | B | 0.0000 | |
| 416 | P | B | -0.4372 | |
| 417 | P | B | 0.0000 | mutated: EP417B |
| 418 | D | B | 0.0000 | |
| 419 | Q | B | 0.0000 | |
| 420 | F | B | 0.1607 | |
| 421 | N | B | -0.6179 | |
| 422 | V | B | 0.0000 | |
| 423 | A | B | 0.0000 | |
| 424 | L | B | -0.5857 | |
| 425 | D | B | -1.3064 | |
| 426 | Q | B | 0.0000 | |
| 427 | V | B | 0.0000 | |
| 428 | F | B | 0.6137 | |
| 429 | E | B | -0.4283 | |
| 430 | N | B | 0.0000 | |
| 431 | I | B | 0.0000 | |
| 432 | E | B | -0.3566 | |
| 433 | W | B | 0.0796 | mutated: NW433B |
| 434 | T | B | 0.1715 | mutated: ST434B |
| 435 | Q | B | -0.3682 | |
| 436 | W | B | 0.5183 | mutated: AW436B |
| 437 | L | B | 0.6567 | |
| 438 | I | B | 0.6047 | mutated: VI438B |
| 439 | D | B | -0.6020 | |
| 440 | M | B | -0.1847 | mutated: QM440B |
| 441 | W | B | -0.0072 | mutated: SW441B |
| 442 | N | B | -1.3157 | |
| 443 | R | B | -2.0628 | |
| 444 | I | B | 0.0000 | |
| 445 | L | B | -0.9455 | |
| 446 | S | B | -1.8029 | |
| 447 | S | B | 0.0000 | |
| 448 | A | B | -1.9717 | |
| 449 | E | B | -2.9345 | |
| 450 | K | B | -2.9816 | |
| 451 | G | B | -2.2763 | |
| 452 | N | B | -2.4656 | |
| 453 | T | B | 0.0000 | |
| 1 | L | C | -0.2007 | |
| 2 | K | C | -1.6223 | |
| 3 | E | C | 0.0000 | |
| 4 | S | C | 0.0000 | |
| 5 | Y | C | -0.2238 | |
| 6 | L | C | 0.0000 | |
| 7 | E | C | -1.3412 | |
| 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 | -0.4288 | |
| 16 | G | C | -0.5696 | |
| 17 | Y | C | -0.4953 | |
| 18 | L | C | -0.4583 | |
| 19 | S | C | 0.0000 | |
| 20 | V | C | 0.0000 | |
| 21 | L | C | 0.0000 | |
| 22 | R | C | 0.0000 | |
| 23 | T | C | 0.0659 | |
| 24 | G | C | -0.0522 | |
| 25 | W | C | -0.1814 | |
| 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 | 0.0000 | |
| 34 | V | C | 0.0000 | |
| 35 | G | C | -0.9459 | |
| 36 | D | C | -1.5826 | |
| 37 | V | C | 0.0000 | |
| 38 | E | C | 0.0000 | |
| 39 | N | C | -1.9438 | |
| 40 | L | C | 0.0000 | |
| 41 | T | C | -2.2443 | |
| 42 | C | C | 0.0000 | |
| 43 | A | C | -2.2011 | |
| 44 | D | C | -2.5514 | |
| 45 | G | C | -1.6130 | |
| 46 | P | C | -1.3714 | |
| 47 | S | C | -1.2337 | |
| 48 | L | C | 0.0000 | |
| 49 | I | C | 0.0000 | |
| 50 | K | C | -2.1563 | |
| 51 | T | C | -1.0839 | |
| 52 | E | C | 0.0000 | |
| 53 | L | C | 0.0000 | |
| 54 | D | C | -1.9305 | |
| 55 | L | C | -0.5501 | |
| 56 | T | C | 0.0000 | |
| 57 | K | C | -1.5229 | |
| 58 | S | C | -1.2740 | |
| 59 | A | C | 0.0000 | |
| 60 | L | C | -1.4350 | |
| 61 | R | C | -2.4687 | |
| 62 | E | C | 0.0000 | |
| 63 | L | C | 0.0000 | |
| 64 | K | C | -2.3705 | |
| 65 | T | C | -1.7507 | |
| 66 | V | C | 0.0000 | |
| 67 | S | C | -1.1829 | |
| 68 | A | C | -1.1467 | |
| 69 | D | C | -1.8485 | |
| 70 | Q | C | 0.0000 | |
| 71 | L | C | 0.0000 | |
| 72 | G | C | -0.4478 | |
| 73 | G | C | -1.0162 | |
| 74 | G | C | -0.8262 | |
| 75 | G | C | -0.6157 | |
| 76 | S | C | -0.5139 | |
| 77 | A | C | -0.3280 | |
| 78 | T | C | -0.2079 | |
| 79 | A | C | -0.0338 | |
| 80 | A | C | 0.2252 | |
| 81 | A | C | 0.0000 | |
| 82 | V | C | 0.1834 | |
| 83 | T | C | 0.1658 | |
| 84 | A | C | 0.0000 | |
| 85 | G | C | 0.0000 | |
| 86 | V | C | 0.1386 | |
| 87 | A | C | 0.0000 | |
| 88 | I | C | 0.0498 | |
| 89 | A | C | 0.0000 | |
| 90 | K | C | -0.7019 | |
| 91 | C | C | 0.0000 | mutated: TC91C |
| 92 | I | C | 0.0000 | |
| 93 | R | C | -1.4768 | |
| 94 | L | C | -0.6862 | |
| 95 | E | C | -1.8932 | |
| 96 | S | C | -1.2374 | |
| 97 | E | C | -1.1746 | |
| 98 | V | C | 0.0000 | |
| 99 | T | C | -1.0726 | |
| 100 | A | C | -1.1198 | |
| 101 | I | C | -1.3931 | |
| 102 | K | C | -1.8963 | |
| 103 | N | C | -2.6581 | |
| 104 | A | C | -1.9618 | |
| 105 | L | C | 0.0000 | |
| 106 | K | C | -3.5503 | |
| 107 | K | C | -3.3191 | |
| 108 | T | C | -2.1406 | |
| 109 | N | C | -2.1844 | |
| 110 | E | C | -1.2400 | |
| 111 | A | C | -0.4456 | |
| 112 | V | C | 1.2201 | |
| 113 | S | C | 0.3902 | |
| 114 | T | C | -0.1736 | |
| 115 | L | C | -0.4074 | |
| 116 | G | C | -0.9537 | |
| 117 | C | C | -0.7915 | mutated: NC117C |
| 118 | G | C | -0.8272 | |
| 119 | V | C | 0.0000 | |
| 120 | R | C | -1.1581 | |
| 121 | V | C | 0.0000 | |
| 122 | L | C | 0.0000 | |
| 123 | A | C | 0.0000 | |
| 124 | T | C | 0.0000 | |
| 125 | A | C | -1.4420 | |
| 126 | V | C | 0.0000 | |
| 127 | R | C | -1.9266 | |
| 128 | E | C | -1.7378 | |
| 129 | L | C | 0.0000 | |
| 130 | K | C | -2.0839 | |
| 131 | D | C | -3.0908 | |
| 132 | F | C | 0.0000 | |
| 133 | V | C | 0.0000 | |
| 134 | S | C | -2.5142 | |
| 135 | K | C | -3.3590 | |
| 136 | N | C | -3.1644 | |
| 137 | L | C | 0.0000 | |
| 138 | T | C | -2.5655 | |
| 139 | R | C | -3.3832 | |
| 140 | A | C | -2.6144 | |
| 141 | I | C | 0.0000 | |
| 142 | N | C | -4.0052 | |
| 143 | K | C | -4.1408 | |
| 144 | N | C | -3.9272 | |
| 145 | K | C | -3.8413 | |
| 146 | C | C | 0.0000 | |
| 147 | D | C | -3.3273 | |
| 148 | I | C | 0.0000 | |
| 149 | P | C | -2.0553 | mutated: DP149C |
| 150 | D | C | -2.8265 | |
| 151 | L | C | 0.0000 | |
| 152 | K | C | -1.8691 | |
| 153 | M | C | -1.1384 | |
| 154 | A | C | 0.0000 | |
| 155 | V | C | 0.0000 | |
| 156 | S | C | 0.0000 | |
| 157 | F | C | 0.0000 | |
| 158 | S | C | -0.3334 | |
| 159 | Q | C | -0.4304 | |
| 160 | F | C | 0.0000 | |
| 161 | N | C | 0.0000 | |
| 162 | R | C | -0.6971 | |
| 163 | R | C | -0.9378 | |
| 164 | F | C | 0.0000 | |
| 165 | L | C | -0.4881 | |
| 166 | N | C | -1.3210 | |
| 167 | V | C | 0.0000 | |
| 168 | V | C | 0.0000 | |
| 169 | Y | C | -0.2769 | mutated: RY169C |
| 170 | Q | C | -0.4793 | |
| 171 | F | C | 0.0000 | |
| 172 | I | C | 0.0000 | mutated: SI172C |
| 173 | H | C | -0.4613 | mutated: DH173C |
| 174 | Y | C | -0.3120 | mutated: NY174C |
| 175 | A | C | 0.0000 | |
| 176 | G | C | 0.0000 | |
| 177 | I | C | 0.0000 | |
| 178 | T | C | 0.0000 | |
| 179 | P | C | 0.0000 | |
| 180 | Y | C | 0.0227 | mutated: AY180C |
| 181 | I | C | 0.0000 | |
| 182 | S | C | 0.0000 | |
| 183 | L | C | 0.0000 | |
| 184 | D | C | -0.5066 | |
| 185 | L | C | 0.0000 | |
| 186 | M | C | 0.0000 | |
| 187 | T | C | -0.5494 | |
| 188 | D | C | -0.6431 | |
| 189 | A | C | -0.6674 | |
| 190 | E | C | -1.0403 | |
| 191 | L | C | 0.0000 | |
| 192 | A | C | -0.9132 | |
| 193 | R | C | -1.9174 | |
| 194 | A | C | 0.0000 | |
| 195 | V | C | 0.0000 | |
| 196 | S | C | -1.4342 | |
| 197 | N | C | -1.7247 | |
| 198 | M | C | 0.0000 | |
| 199 | P | C | -0.6840 | |
| 200 | T | C | -0.6259 | |
| 201 | S | C | -0.7299 | |
| 202 | A | C | -0.7472 | |
| 203 | G | C | -1.0891 | |
| 204 | Q | C | -0.9108 | |
| 205 | I | C | 0.0000 | |
| 206 | K | C | -1.7316 | |
| 207 | L | C | 0.0000 | |
| 208 | M | C | 0.0000 | |
| 209 | L | C | -0.6829 | |
| 210 | E | C | -1.5159 | |
| 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 | 0.0000 | |
| 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 | -0.5017 | |
| 226 | V | C | -0.2307 | |
| 227 | Y | C | 0.1389 | |
| 228 | G | C | -0.3472 | |
| 229 | S | C | -0.6081 | |
| 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 | 0.0000 | |
| 240 | F | C | 0.0000 | |
| 241 | G | C | 0.2114 | |
| 242 | V | C | 0.2905 | |
| 243 | I | C | -0.1274 | |
| 244 | D | C | -1.2687 | |
| 245 | T | C | -0.6007 | |
| 246 | P | C | -0.5775 | |
| 247 | C | C | 0.0000 | |
| 248 | W | C | -0.1432 | |
| 249 | I | C | 0.0000 | |
| 250 | V | C | 0.0000 | |
| 251 | K | C | -0.6021 | |
| 252 | A | C | 0.0000 | |
| 253 | A | C | 0.0000 | |
| 254 | P | C | 0.0000 | |
| 255 | S | C | -0.0850 | |
| 256 | C | C | -0.4745 | |
| 257 | S | C | -1.2932 | |
| 258 | E | C | -2.4706 | |
| 259 | K | C | -3.0187 | |
| 260 | K | C | -2.7524 | |
| 261 | G | C | -1.5593 | |
| 262 | N | C | 0.0000 | |
| 263 | Y | C | 0.0000 | |
| 264 | A | C | 0.0000 | |
| 265 | C | C | 0.0000 | |
| 266 | L | C | 0.0000 | |
| 267 | L | C | -0.2017 | |
| 268 | R | C | 0.0000 | |
| 269 | E | C | -1.0135 | |
| 270 | D | C | -1.3080 | |
| 271 | Q | C | -1.0936 | |
| 272 | G | C | 0.0000 | |
| 273 | W | C | 0.0000 | |
| 274 | Y | C | 0.0000 | |
| 275 | C | C | 0.0000 | |
| 276 | Q | C | -0.4348 | |
| 277 | N | C | -0.8915 | |
| 278 | A | C | -0.3862 | |
| 279 | G | C | -0.6333 | |
| 280 | S | C | -0.7632 | |
| 281 | T | C | 0.0000 | |
| 282 | V | C | 0.0000 | |
| 283 | Y | C | 0.3466 | |
| 284 | Y | C | -0.0891 | |
| 285 | P | C | -0.8080 | |
| 286 | N | C | -1.5618 | |
| 287 | E | C | -1.4967 | |
| 288 | K | C | -1.5853 | |
| 289 | D | C | -1.2585 | |
| 290 | C | C | 0.0000 | |
| 291 | E | C | 0.0000 | |
| 292 | T | C | -0.7949 | |
| 293 | R | C | -1.0487 | |
| 294 | G | C | -1.4094 | |
| 295 | D | C | -1.1089 | |
| 296 | H | C | -0.9382 | |
| 297 | V | C | 0.0000 | |
| 298 | F | C | 0.0000 | |
| 299 | C | C | 0.0000 | |
| 300 | D | C | -0.3904 | |
| 301 | T | C | 0.0000 | |
| 302 | A | C | 0.1096 | |
| 303 | A | C | 0.0000 | |
| 304 | G | C | -0.0267 | |
| 305 | I | C | 0.9731 | |
| 306 | N | C | 0.0000 | |
| 307 | V | C | 0.6033 | |
| 308 | A | C | 0.0000 | |
| 309 | E | C | -1.5797 | |
| 310 | Q | C | -1.5056 | |
| 311 | S | C | -1.2307 | |
| 312 | K | C | -1.4941 | |
| 313 | E | C | -2.2949 | |
| 314 | C | C | 0.0000 | |
| 315 | N | C | 0.0000 | |
| 316 | I | C | -0.7870 | |
| 317 | N | C | -1.2817 | |
| 318 | I | C | 0.0000 | |
| 319 | S | C | -0.3425 | |
| 320 | T | C | -0.3950 | |
| 321 | T | C | -0.6716 | |
| 322 | N | C | -0.8722 | |
| 323 | Y | C | -0.3749 | |
| 324 | P | C | -0.3891 | |
| 325 | C | C | -0.6244 | |
| 326 | K | C | -0.8292 | |
| 327 | V | C | 0.0000 | |
| 328 | S | C | -0.4766 | |
| 329 | T | C | -0.2609 | |
| 330 | G | C | 0.0000 | |
| 331 | R | C | -0.5856 | |
| 332 | H | C | -0.2448 | |
| 333 | P | C | 0.0585 | |
| 334 | I | C | 0.4104 | |
| 335 | S | C | 0.0000 | |
| 336 | M | C | 0.6184 | |
| 337 | V | C | 0.5481 | |
| 338 | A | C | 0.0000 | |
| 339 | L | C | 0.3366 | |
| 340 | S | C | 0.0000 | |
| 341 | P | C | 0.1614 | |
| 342 | L | C | -0.1856 | |
| 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 | -1.1110 | |
| 350 | K | C | -2.3279 | |
| 351 | G | C | -1.3833 | |
| 352 | V | C | -0.5642 | |
| 353 | S | C | -1.1634 | |
| 354 | C | C | 0.0000 | |
| 355 | S | C | -0.2129 | |
| 356 | I | C | 0.0000 | |
| 357 | G | C | 0.0000 | |
| 358 | S | C | -0.0203 | |
| 359 | N | C | -0.2592 | |
| 360 | R | C | 0.3148 | |
| 361 | V | C | 1.6135 | |
| 362 | G | C | 1.1487 | |
| 363 | I | C | 1.7130 | |
| 364 | I | C | 1.8588 | |
| 365 | K | C | -0.2642 | |
| 366 | Q | C | -1.1274 | |
| 367 | L | C | -1.2455 | |
| 368 | N | C | -2.2041 | |
| 369 | K | C | -1.7721 | |
| 370 | G | C | -1.0064 | |
| 371 | C | C | -0.3361 | |
| 372 | S | C | 0.0000 | |
| 373 | Y | C | -0.2022 | |
| 374 | I | C | 0.0000 | |
| 375 | T | C | 0.0000 | |
| 376 | N | C | -2.9246 | |
| 377 | Q | C | -1.9551 | |
| 378 | D | C | -2.1886 | |
| 379 | A | C | 0.0000 | |
| 380 | D | C | 0.0000 | |
| 381 | T | C | 0.0000 | |
| 382 | V | C | 0.0000 | |
| 383 | T | C | 0.0979 | |
| 384 | I | C | 0.0000 | |
| 385 | D | C | -0.8126 | |
| 386 | N | C | -0.8258 | |
| 387 | T | C | 0.0000 | |
| 388 | V | C | 0.2414 | |
| 389 | Y | C | 0.0000 | |
| 390 | Q | C | 0.0000 | |
| 391 | L | C | 0.0000 | |
| 392 | S | C | 0.0000 | |
| 393 | K | C | -2.4466 | |
| 394 | V | C | 0.0000 | |
| 395 | E | C | -3.0321 | |
| 396 | G | C | -2.3646 | |
| 397 | E | C | -2.8885 | |
| 398 | Q | C | -2.2989 | |
| 399 | H | C | -1.3322 | |
| 400 | V | C | 0.3479 | |
| 401 | I | C | 0.0000 | |
| 402 | K | C | -1.8862 | |
| 403 | G | C | -1.4887 | |
| 404 | R | C | -1.3904 | |
| 405 | P | C | -1.0237 | |
| 406 | V | C | 0.0000 | |
| 407 | S | C | 0.0000 | |
| 408 | S | C | -0.9381 | |
| 409 | S | C | -0.4522 | |
| 410 | F | C | -0.3075 | |
| 411 | D | C | -0.8780 | |
| 412 | P | C | 0.0000 | |
| 413 | V | C | 0.9422 | |
| 414 | K | C | -0.5252 | |
| 415 | F | C | 0.0000 | |
| 416 | P | C | -0.1432 | |
| 417 | P | C | 0.0000 | mutated: EP417C |
| 418 | D | C | -0.5797 | |
| 419 | Q | C | 0.0000 | |
| 420 | F | C | 0.0000 | |
| 421 | N | C | -0.1254 | |
| 422 | V | C | 0.0000 | |
| 423 | A | C | 0.0000 | |
| 424 | L | C | 0.0000 | |
| 425 | D | C | -0.7335 | |
| 426 | Q | C | -0.6985 | |
| 427 | V | C | 0.0000 | |
| 428 | F | C | -0.0346 | |
| 429 | E | C | -0.9307 | |
| 430 | N | C | 0.0000 | |
| 431 | I | C | 0.0864 | |
| 432 | E | C | -0.2627 | |
| 433 | W | C | 0.7915 | mutated: NW433C |
| 434 | T | C | 0.2599 | mutated: ST434C |
| 435 | Q | C | 0.2639 | |
| 436 | W | C | 0.7887 | mutated: AW436C |
| 437 | L | C | 0.4758 | |
| 438 | I | C | 0.2007 | mutated: VI438C |
| 439 | D | C | -0.7651 | |
| 440 | M | C | -1.0068 | mutated: QM440C |
| 441 | W | C | 0.0000 | mutated: SW441C |
| 442 | N | C | -1.8665 | |
| 443 | R | C | -2.4354 | |
| 444 | I | C | -1.1584 | |
| 445 | L | C | -1.3286 | |
| 446 | S | C | -1.9672 | |
| 447 | S | C | -1.9020 | |
| 448 | A | C | 0.0000 | |
| 449 | E | C | -3.2172 | |
| 450 | K | C | -2.9655 | |
| 451 | G | C | -2.3607 | |
| 452 | N | C | -2.6386 | |
| 453 | T | C | -1.6512 |
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, -0.5967 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_1 | -0.5967 | View | CSV | PDB |
| model_2 | -0.5991 | View | CSV | PDB |
| model_4 | -0.6141 | View | CSV | PDB |
| model_10 | -0.6183 | View | CSV | PDB |
| model_6 | -0.63 | View | CSV | PDB |
| CABS_average | -0.6312 | View | CSV | PDB |
| model_9 | -0.6383 | View | CSV | PDB |
| model_0 | -0.6386 | View | CSV | PDB |
| model_3 | -0.6395 | View | CSV | PDB |
| model_11 | -0.646 | View | CSV | PDB |
| model_8 | -0.6464 | View | CSV | PDB |
| model_5 | -0.6469 | View | CSV | PDB |
| input | -0.6477 | View | CSV | PDB |
| model_7 | -0.6609 | 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