Project name: MPV_sd3 [mutate: TC91A, NC117A, TC91C, NC117C, TC91B, NC117B, DP149A, DP149C, DP149B, DP425A, DP425C, DP425B, EP95A, EP95C, EP95B, RP127A, RP127C, RP127B, LW437A, LW437C, LW437B, SF441A, SF441C, SF441B]
Status: done
Started: 2025-12-12 08:01:56
| 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 | NC117A,EP95B,NC117B,TC91B,SF441B,EP95A,TC91A,DP425B,TC91C,SF441A,EP95C,LW437A,RP127B,NC117C,SF441C,DP425C,DP149B,DP149A,LW437B,RP127A,DP149C,DP425A,RP127C,LW437C |
| Energy difference between WT (input) and mutated protein (by FoldX) | 4.54497 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 (00:30:19)
[INFO] CABS: Running CABS flex simulation (00:38:17)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (09:54:50)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (09:55:21)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (09:55:52)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (09:56:22)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (09:56:53)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (09:57:25)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (09:57:57)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (09:58:30)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (09:59:01)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (09:59:32)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (10:00:03)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (10:00:35)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (10:01:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (10:02:12)
[INFO] Main: Simulation completed successfully. (10:02:41)
|
Note Your prediction results will be deleted after 360 days.
Drag cursor over the plot to display residue labels.
Show buried residues
- Minimal score value
- -3.9862
- Maximal score value
- 1.7106
- Average score
- -0.6316
- Total score value
- -858.4053
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 | -0.0540 | |
| 2 | K | A | -1.7490 | |
| 3 | E | A | 0.0000 | |
| 4 | S | A | -0.1623 | |
| 5 | Y | A | 0.1347 | |
| 6 | L | A | 0.0000 | |
| 7 | E | A | 0.0000 | |
| 8 | E | A | -0.1168 | |
| 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 | -0.3233 | |
| 16 | G | A | -0.1088 | |
| 17 | Y | A | -0.2866 | |
| 18 | L | A | -0.0498 | |
| 19 | S | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | R | A | 0.0000 | |
| 23 | T | A | -0.1401 | |
| 24 | G | A | -0.0600 | |
| 25 | W | A | -0.1999 | |
| 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 | -0.9442 | |
| 34 | V | A | 0.0000 | |
| 35 | G | A | -1.9113 | |
| 36 | D | A | -2.4834 | |
| 37 | V | A | 0.0000 | |
| 38 | E | A | -3.2796 | |
| 39 | N | A | -2.7024 | |
| 40 | L | A | 0.0000 | |
| 41 | T | A | -2.4935 | |
| 42 | C | A | 0.0000 | |
| 43 | A | A | -2.8181 | |
| 44 | D | A | -3.5966 | |
| 45 | G | A | -2.4415 | |
| 46 | P | A | 0.0000 | |
| 47 | S | A | 0.0000 | |
| 48 | L | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | K | A | -1.8265 | |
| 51 | T | A | -1.0189 | |
| 52 | E | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | D | A | -2.3998 | |
| 55 | L | A | -1.1066 | |
| 56 | T | A | -1.2838 | |
| 57 | K | A | -2.5202 | |
| 58 | S | A | -1.8442 | |
| 59 | A | A | 0.0000 | |
| 60 | L | A | -1.3750 | |
| 61 | R | A | -2.4998 | |
| 62 | E | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -2.2429 | |
| 65 | T | A | 0.0000 | |
| 66 | V | A | -0.5240 | |
| 67 | S | A | 0.0000 | |
| 68 | A | A | 0.1936 | |
| 69 | D | A | -0.2896 | |
| 70 | Q | A | -0.4098 | |
| 71 | L | A | -0.3553 | |
| 72 | G | A | 0.0000 | |
| 73 | G | A | 0.0000 | |
| 74 | G | A | 0.0000 | |
| 75 | G | A | -0.9255 | |
| 76 | S | A | 0.0000 | |
| 77 | A | A | 0.0000 | |
| 78 | T | A | -0.4068 | |
| 79 | A | A | -0.2187 | |
| 80 | A | A | 0.1678 | |
| 81 | A | A | 0.3259 | |
| 82 | V | A | 0.6333 | |
| 83 | T | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | G | A | 0.0000 | |
| 86 | V | A | 0.0000 | |
| 87 | A | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | K | A | -0.3518 | |
| 91 | C | A | 0.0000 | mutated: TC91A |
| 92 | I | A | 0.0000 | |
| 93 | R | A | -0.8145 | |
| 94 | L | A | -0.3002 | |
| 95 | P | A | -0.5838 | mutated: EP95A |
| 96 | S | A | -0.5668 | |
| 97 | E | A | -0.8050 | |
| 98 | V | A | 0.0000 | |
| 99 | T | A | -0.8171 | |
| 100 | A | A | -0.7595 | |
| 101 | I | A | 0.0000 | |
| 102 | K | A | -1.7175 | |
| 103 | N | A | -2.2529 | |
| 104 | A | A | -1.7058 | |
| 105 | L | A | 0.0000 | |
| 106 | K | A | -3.5224 | |
| 107 | K | A | -3.3351 | |
| 108 | T | A | -2.5887 | |
| 109 | N | A | -2.7498 | |
| 110 | E | A | -1.9910 | |
| 111 | A | A | -0.5928 | |
| 112 | V | A | 1.1065 | |
| 113 | S | A | 0.2583 | |
| 114 | T | A | -0.2893 | |
| 115 | L | A | -0.6433 | |
| 116 | G | A | -1.0511 | |
| 117 | C | A | 0.0000 | mutated: NC117A |
| 118 | G | A | -1.1463 | |
| 119 | V | A | 0.0000 | |
| 120 | R | A | -1.4592 | |
| 121 | V | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | A | A | 0.0000 | |
| 124 | T | A | 0.0000 | |
| 125 | A | A | 0.0000 | |
| 126 | V | A | 0.0000 | |
| 127 | P | A | -1.6537 | mutated: RP127A |
| 128 | E | A | -1.6852 | |
| 129 | L | A | 0.0000 | |
| 130 | K | A | -2.4024 | |
| 131 | D | A | -2.6831 | |
| 132 | F | A | -1.7212 | |
| 133 | V | A | 0.0000 | |
| 134 | S | A | -2.2250 | |
| 135 | K | A | -2.8509 | |
| 136 | N | A | -2.6177 | |
| 137 | L | A | 0.0000 | |
| 138 | T | A | -2.3807 | |
| 139 | R | A | -3.2444 | |
| 140 | A | A | -3.1329 | |
| 141 | I | A | 0.0000 | |
| 142 | N | A | -3.7240 | |
| 143 | K | A | -3.4497 | |
| 144 | N | A | -3.7433 | |
| 145 | K | A | -3.9862 | |
| 146 | C | A | 0.0000 | |
| 147 | D | A | -3.6014 | |
| 148 | I | A | 0.0000 | |
| 149 | P | A | -2.0621 | mutated: DP149A |
| 150 | D | A | -1.8454 | |
| 151 | L | A | 0.0000 | |
| 152 | K | A | -0.7012 | |
| 153 | M | A | -0.5692 | |
| 154 | A | A | 0.0000 | |
| 155 | V | A | 0.0000 | |
| 156 | S | A | 0.0000 | |
| 157 | F | A | 0.0000 | |
| 158 | S | A | 0.0000 | |
| 159 | Q | A | 0.0000 | |
| 160 | F | A | 0.0000 | |
| 161 | N | A | 0.0000 | |
| 162 | R | A | -0.4127 | |
| 163 | R | A | -0.4222 | |
| 164 | F | A | 0.0000 | |
| 165 | L | A | 0.2389 | |
| 166 | N | A | -0.3956 | |
| 167 | V | A | 0.0000 | |
| 168 | V | A | 0.0000 | |
| 169 | R | A | -0.6901 | |
| 170 | Q | A | -0.4753 | |
| 171 | F | A | 0.0000 | |
| 172 | S | A | 0.0000 | |
| 173 | D | A | -1.0614 | |
| 174 | N | A | -0.7167 | |
| 175 | A | A | -0.4815 | |
| 176 | G | A | 0.0000 | |
| 177 | I | A | 0.9622 | |
| 178 | T | A | 0.0000 | |
| 179 | P | A | -0.0167 | |
| 180 | A | A | 0.0000 | |
| 181 | I | A | 0.0000 | |
| 182 | S | A | -0.3025 | |
| 183 | L | A | -0.1765 | |
| 184 | D | A | 0.0000 | |
| 185 | L | A | 0.0000 | |
| 186 | M | A | 0.0000 | |
| 187 | T | A | -0.3443 | |
| 188 | D | A | -0.7327 | |
| 189 | A | A | -0.3724 | |
| 190 | E | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | A | A | -0.2269 | |
| 193 | R | A | -0.7086 | |
| 194 | A | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | S | A | -0.5243 | |
| 197 | N | A | -0.6192 | |
| 198 | M | A | 0.0000 | |
| 199 | P | A | -0.4173 | |
| 200 | T | A | -0.2887 | |
| 201 | S | A | -0.4784 | |
| 202 | A | A | -0.5810 | |
| 203 | G | A | -0.8475 | |
| 204 | Q | A | 0.0000 | |
| 205 | I | A | -0.5294 | |
| 206 | K | A | -1.5059 | |
| 207 | L | A | -0.6353 | |
| 208 | M | A | 0.0000 | |
| 209 | L | A | 0.0572 | |
| 210 | E | A | -0.7506 | |
| 211 | N | A | 0.0000 | |
| 212 | R | A | -0.3964 | |
| 213 | A | A | 0.0000 | |
| 214 | M | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | R | A | -0.5328 | |
| 217 | R | A | -0.8178 | |
| 218 | K | A | -0.3963 | |
| 219 | G | A | 0.0000 | |
| 220 | F | A | 0.6888 | |
| 221 | G | A | 0.0000 | |
| 222 | I | A | 0.6566 | |
| 223 | L | A | 0.0000 | |
| 224 | I | A | 0.0000 | |
| 225 | G | A | 0.0835 | |
| 226 | V | A | 0.1336 | |
| 227 | Y | A | 0.3889 | |
| 228 | G | A | -0.0814 | |
| 229 | S | A | -0.6139 | |
| 230 | S | A | 0.0506 | |
| 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 | 0.1921 | |
| 240 | F | A | 0.0000 | |
| 241 | G | A | 0.0024 | |
| 242 | V | A | -0.2429 | |
| 243 | I | A | -0.4139 | |
| 244 | D | A | -1.3638 | |
| 245 | T | A | 0.0000 | |
| 246 | P | A | -0.3254 | |
| 247 | C | A | 0.0000 | |
| 248 | W | A | 0.0108 | |
| 249 | I | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | K | A | 0.0000 | |
| 252 | A | A | -0.2303 | |
| 253 | A | A | 0.0000 | |
| 254 | P | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | C | A | -0.6491 | |
| 257 | S | A | -1.5779 | |
| 258 | E | A | -2.7053 | |
| 259 | K | A | -3.3468 | |
| 260 | K | A | -3.3241 | |
| 261 | G | A | -2.0389 | |
| 262 | N | A | -2.4488 | |
| 263 | Y | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | C | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | L | A | -0.2397 | |
| 268 | R | A | 0.0000 | |
| 269 | E | A | -1.5336 | |
| 270 | D | A | 0.0000 | |
| 271 | Q | A | -1.2250 | |
| 272 | G | A | 0.0000 | |
| 273 | W | A | 0.0000 | |
| 274 | Y | A | -0.2621 | |
| 275 | C | A | 0.0000 | |
| 276 | Q | A | -0.9391 | |
| 277 | N | A | 0.0000 | |
| 278 | A | A | -0.7401 | |
| 279 | G | A | -0.8951 | |
| 280 | S | A | 0.0000 | |
| 281 | T | A | -0.8288 | |
| 282 | V | A | 0.0000 | |
| 283 | Y | A | -0.0728 | |
| 284 | Y | A | -0.0954 | |
| 285 | P | A | -1.0568 | |
| 286 | N | A | -2.1929 | |
| 287 | E | A | -1.9435 | |
| 288 | K | A | -2.4766 | |
| 289 | D | A | -1.7084 | |
| 290 | C | A | 0.0000 | |
| 291 | E | A | 0.0000 | |
| 292 | T | A | -0.9639 | |
| 293 | R | A | -1.0553 | |
| 294 | G | A | -1.3717 | |
| 295 | D | A | -1.4946 | |
| 296 | H | A | -1.0075 | |
| 297 | V | A | 0.0000 | |
| 298 | F | A | 0.0000 | |
| 299 | C | A | 0.0000 | |
| 300 | D | A | -0.5553 | |
| 301 | T | A | 0.0000 | |
| 302 | A | A | 0.1345 | |
| 303 | A | A | -0.0956 | |
| 304 | G | A | 0.0000 | |
| 305 | I | A | 0.4056 | |
| 306 | N | A | 0.0000 | |
| 307 | V | A | -0.0110 | |
| 308 | A | A | -0.6647 | |
| 309 | E | A | -2.1378 | |
| 310 | Q | A | -1.2582 | |
| 311 | S | A | 0.0000 | |
| 312 | K | A | -1.2371 | |
| 313 | E | A | -0.9315 | |
| 314 | C | A | 0.0000 | |
| 315 | N | A | 0.0000 | |
| 316 | I | A | 0.7049 | |
| 317 | N | A | 0.0000 | |
| 318 | I | A | 1.2718 | |
| 319 | S | A | 0.5369 | |
| 320 | T | A | 0.2041 | |
| 321 | T | A | 0.0000 | |
| 322 | N | A | -1.0441 | |
| 323 | Y | A | 0.1085 | |
| 324 | P | A | 0.0000 | |
| 325 | C | A | 0.0000 | |
| 326 | K | A | -1.6823 | |
| 327 | V | A | 0.0000 | |
| 328 | S | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | G | A | 0.0000 | |
| 331 | R | A | -0.4216 | |
| 332 | H | A | -0.2065 | |
| 333 | P | A | 0.0000 | |
| 334 | I | A | 0.6503 | |
| 335 | S | A | 0.0000 | |
| 336 | M | A | 0.4258 | |
| 337 | V | A | 0.4321 | |
| 338 | A | A | 0.1649 | |
| 339 | L | A | 0.2571 | |
| 340 | S | A | 0.0000 | |
| 341 | P | A | 0.2935 | |
| 342 | L | A | 0.0863 | |
| 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 | -1.0710 | |
| 350 | K | A | -2.4379 | |
| 351 | G | A | -1.3271 | |
| 352 | V | A | 0.0000 | |
| 353 | S | A | -1.5907 | |
| 354 | C | A | 0.0000 | |
| 355 | S | A | -1.0884 | |
| 356 | I | A | 0.0000 | |
| 357 | G | A | 0.1561 | |
| 358 | S | A | 0.0000 | |
| 359 | N | A | -0.5570 | |
| 360 | R | A | -1.0920 | |
| 361 | V | A | 0.4149 | |
| 362 | G | A | 0.7398 | |
| 363 | I | A | 1.4238 | |
| 364 | I | A | 1.3857 | |
| 365 | K | A | -1.3449 | |
| 366 | Q | A | -1.8489 | |
| 367 | L | A | -1.5840 | |
| 368 | N | A | -2.2726 | |
| 369 | K | A | -1.3414 | |
| 370 | G | A | -0.9106 | |
| 371 | C | A | 0.0000 | |
| 372 | S | A | -0.1894 | |
| 373 | Y | A | -0.2479 | |
| 374 | I | A | 0.0000 | |
| 375 | T | A | 0.0000 | |
| 376 | N | A | -3.1307 | |
| 377 | Q | A | -2.8524 | |
| 378 | D | A | -1.9068 | |
| 379 | A | A | 0.0000 | |
| 380 | D | A | 0.0000 | |
| 381 | T | A | -0.3707 | |
| 382 | V | A | 0.0000 | |
| 383 | T | A | -0.6282 | |
| 384 | I | A | 0.0000 | |
| 385 | D | A | -1.1665 | |
| 386 | N | A | -1.5269 | |
| 387 | T | A | 0.0000 | |
| 388 | V | A | -0.2126 | |
| 389 | Y | A | 0.0000 | |
| 390 | Q | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | S | A | 0.0000 | |
| 393 | K | A | -2.3613 | |
| 394 | V | A | 0.0000 | |
| 395 | E | A | -1.6438 | |
| 396 | G | A | -2.1681 | |
| 397 | E | A | -2.9412 | |
| 398 | Q | A | -1.8775 | |
| 399 | H | A | -0.7639 | |
| 400 | V | A | 1.6794 | |
| 401 | I | A | 1.5020 | |
| 402 | K | A | -0.7190 | |
| 403 | G | A | -1.1696 | |
| 404 | R | A | -1.2786 | |
| 405 | P | A | -0.8849 | |
| 406 | V | A | 0.0000 | |
| 407 | S | A | 0.0000 | |
| 408 | S | A | -1.3899 | |
| 409 | S | A | -0.9225 | |
| 410 | F | A | 0.0000 | |
| 411 | D | A | -2.1105 | |
| 412 | P | A | -1.6113 | |
| 413 | V | A | -1.3754 | |
| 414 | K | A | -2.2027 | |
| 415 | F | A | 0.0000 | |
| 416 | P | A | -0.9147 | |
| 417 | E | A | -1.5185 | |
| 418 | D | A | -0.9176 | |
| 419 | Q | A | 0.0000 | |
| 420 | F | A | 0.0000 | |
| 421 | N | A | -0.6179 | |
| 422 | V | A | 0.0000 | |
| 423 | A | A | 0.0000 | |
| 424 | L | A | 0.0000 | |
| 425 | P | A | 0.0000 | mutated: DP425A |
| 426 | Q | A | 0.0000 | |
| 427 | V | A | 0.0000 | |
| 428 | F | A | -1.0251 | |
| 429 | E | A | -2.8011 | |
| 430 | N | A | 0.0000 | |
| 431 | I | A | 0.0000 | |
| 432 | E | A | -3.1873 | |
| 433 | N | A | -2.8631 | |
| 434 | S | A | -2.3867 | |
| 435 | Q | A | -2.5293 | |
| 436 | A | A | -1.8175 | |
| 437 | W | A | -1.4486 | mutated: LW437A |
| 438 | V | A | -1.5650 | |
| 439 | D | A | -2.7082 | |
| 440 | Q | A | -1.7787 | |
| 441 | F | A | 0.0000 | mutated: SF441A |
| 442 | N | A | -2.0888 | |
| 443 | R | A | -2.6505 | |
| 444 | I | A | 0.0000 | |
| 445 | L | A | -1.6775 | |
| 446 | S | A | -1.8898 | |
| 447 | S | A | -1.8898 | |
| 448 | A | A | -2.0725 | |
| 449 | E | A | -2.8033 | |
| 450 | K | A | -2.8978 | |
| 451 | G | A | -2.1645 | |
| 452 | N | A | -2.0467 | |
| 453 | T | A | -1.0642 | |
| 1 | L | B | -1.8344 | |
| 2 | K | B | -2.7043 | |
| 3 | E | B | 0.0000 | |
| 4 | S | B | -0.6375 | |
| 5 | Y | B | 0.0000 | |
| 6 | L | B | 0.0000 | |
| 7 | E | B | -1.1468 | |
| 8 | E | B | 0.0000 | |
| 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 | -1.1141 | |
| 16 | G | B | -1.0334 | |
| 17 | Y | B | 0.0000 | |
| 18 | L | B | 0.0192 | |
| 19 | S | B | 0.0000 | |
| 20 | V | B | 0.0000 | |
| 21 | L | B | 0.0000 | |
| 22 | R | B | 0.0000 | |
| 23 | T | B | -0.1548 | |
| 24 | G | B | -0.1130 | |
| 25 | W | B | -0.0804 | |
| 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 | -1.1078 | |
| 34 | V | B | 0.0000 | |
| 35 | G | B | -1.4897 | |
| 36 | D | B | -1.6193 | |
| 37 | V | B | 0.0000 | |
| 38 | E | B | -1.8353 | |
| 39 | N | B | -2.1559 | |
| 40 | L | B | 0.0000 | |
| 41 | T | B | -1.5350 | |
| 42 | C | B | 0.0000 | |
| 43 | A | B | -0.9430 | |
| 44 | D | B | -1.1741 | |
| 45 | G | B | -1.3427 | |
| 46 | P | B | -1.2368 | |
| 47 | S | B | 0.0000 | |
| 48 | L | B | 0.0000 | |
| 49 | I | B | 0.0000 | |
| 50 | K | B | -1.2991 | |
| 51 | T | B | 0.0000 | |
| 52 | E | B | 0.0000 | |
| 53 | L | B | 0.0000 | |
| 54 | D | B | -1.7613 | |
| 55 | L | B | 0.0000 | |
| 56 | T | B | 0.0000 | |
| 57 | K | B | -2.7774 | |
| 58 | S | B | -1.9042 | |
| 59 | A | B | 0.0000 | |
| 60 | L | B | -1.7472 | |
| 61 | R | B | -2.9120 | |
| 62 | E | B | -2.0143 | |
| 63 | L | B | 0.0000 | |
| 64 | K | B | -2.1805 | |
| 65 | T | B | -1.2635 | |
| 66 | V | B | 0.0000 | |
| 67 | S | B | -0.5724 | |
| 68 | A | B | -0.4806 | |
| 69 | D | B | -1.0740 | |
| 70 | Q | B | -1.1613 | |
| 71 | L | B | -0.5378 | |
| 72 | G | B | -0.2071 | |
| 73 | G | B | -0.2695 | |
| 74 | G | B | 0.0000 | |
| 75 | G | B | 0.0000 | |
| 76 | S | B | -0.3919 | |
| 77 | A | B | -0.2430 | |
| 78 | T | B | 0.0000 | |
| 79 | A | B | 0.1888 | |
| 80 | A | B | 0.0000 | |
| 81 | A | B | 0.3111 | |
| 82 | V | B | 0.6673 | |
| 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 | -0.2784 | |
| 91 | C | B | 0.1337 | mutated: TC91B |
| 92 | I | B | 0.0000 | |
| 93 | R | B | -0.2166 | |
| 94 | L | B | 0.8001 | |
| 95 | P | B | -0.0445 | mutated: EP95B |
| 96 | S | B | -0.5136 | |
| 97 | E | B | -0.8185 | |
| 98 | V | B | 0.0000 | |
| 99 | T | B | -1.0600 | |
| 100 | A | B | -1.1874 | |
| 101 | I | B | 0.0000 | |
| 102 | K | B | -2.5567 | |
| 103 | N | B | -3.0683 | |
| 104 | A | B | -2.3415 | |
| 105 | L | B | 0.0000 | |
| 106 | K | B | -3.9718 | |
| 107 | K | B | -3.6791 | |
| 108 | T | B | -2.8484 | |
| 109 | N | B | -3.3380 | |
| 110 | E | B | -2.5455 | |
| 111 | A | B | -0.9002 | |
| 112 | V | B | 1.1969 | |
| 113 | S | B | 0.4800 | |
| 114 | T | B | -0.0547 | |
| 115 | L | B | -0.2203 | |
| 116 | G | B | -0.4916 | |
| 117 | C | B | -0.2493 | mutated: NC117B |
| 118 | G | B | -0.6712 | |
| 119 | V | B | 0.0000 | |
| 120 | R | B | -0.3256 | |
| 121 | V | B | 0.0000 | |
| 122 | L | B | -0.0087 | |
| 123 | A | B | 0.0000 | |
| 124 | T | B | -1.0736 | |
| 125 | A | B | -1.7669 | |
| 126 | V | B | -0.7263 | |
| 127 | P | B | -1.1727 | mutated: RP127B |
| 128 | E | B | -1.9007 | |
| 129 | L | B | 0.0000 | |
| 130 | K | B | -2.8179 | |
| 131 | D | B | -3.1696 | |
| 132 | F | B | 0.0000 | |
| 133 | V | B | 0.0000 | |
| 134 | S | B | -2.6083 | |
| 135 | K | B | -3.1518 | |
| 136 | N | B | -2.4273 | |
| 137 | L | B | 0.0000 | |
| 138 | T | B | -2.7513 | |
| 139 | R | B | -3.2212 | |
| 140 | A | B | -2.3944 | |
| 141 | I | B | 0.0000 | |
| 142 | N | B | -3.1638 | |
| 143 | K | B | -3.3033 | |
| 144 | N | B | -2.6937 | |
| 145 | K | B | -2.2306 | |
| 146 | C | B | 0.0000 | |
| 147 | D | B | -1.0128 | |
| 148 | I | B | 0.1491 | |
| 149 | P | B | -0.6042 | mutated: DP149B |
| 150 | D | B | -1.2550 | |
| 151 | L | B | 0.0000 | |
| 152 | K | B | -1.4116 | |
| 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 | 0.0000 | |
| 159 | Q | B | 0.0000 | |
| 160 | F | B | 0.0000 | |
| 161 | N | B | 0.0000 | |
| 162 | R | B | -0.6996 | |
| 163 | R | B | -0.8599 | |
| 164 | F | B | 0.0000 | |
| 165 | L | B | -0.3711 | |
| 166 | N | B | -0.9922 | |
| 167 | V | B | -0.6615 | |
| 168 | V | B | 0.0000 | |
| 169 | R | B | -1.3236 | |
| 170 | Q | B | -1.3296 | |
| 171 | F | B | 0.0000 | |
| 172 | S | B | 0.0000 | |
| 173 | D | B | -1.9270 | |
| 174 | N | B | -1.1560 | |
| 175 | A | B | -0.6879 | |
| 176 | G | B | 0.0000 | |
| 177 | I | B | 0.1789 | |
| 178 | T | B | 0.0000 | |
| 179 | P | B | -0.5970 | |
| 180 | A | B | -0.7767 | |
| 181 | I | B | 0.0000 | |
| 182 | S | B | -1.0364 | |
| 183 | L | B | 0.0000 | |
| 184 | D | B | -1.3779 | |
| 185 | L | B | 0.0000 | |
| 186 | M | B | 0.0000 | |
| 187 | T | B | -0.8127 | |
| 188 | D | B | -1.2609 | |
| 189 | A | B | -0.6966 | |
| 190 | E | B | -1.0693 | |
| 191 | L | B | 0.0000 | |
| 192 | A | B | -1.0904 | |
| 193 | R | B | -2.0028 | |
| 194 | A | B | 0.0000 | |
| 195 | V | B | 0.0000 | |
| 196 | S | B | -1.1270 | |
| 197 | N | B | -0.4789 | |
| 198 | M | B | 0.3038 | |
| 199 | P | B | 0.0498 | |
| 200 | T | B | 0.0000 | |
| 201 | S | B | -0.1455 | |
| 202 | A | B | -0.2969 | |
| 203 | G | B | -0.5193 | |
| 204 | Q | B | 0.0000 | |
| 205 | I | B | -0.6680 | |
| 206 | K | B | -1.8034 | |
| 207 | L | B | -0.9852 | |
| 208 | M | B | 0.0000 | |
| 209 | L | B | -1.3461 | |
| 210 | E | B | -1.9932 | |
| 211 | N | B | 0.0000 | |
| 212 | R | B | 0.0000 | |
| 213 | A | B | 0.0000 | |
| 214 | M | B | 0.0000 | |
| 215 | V | B | 0.0000 | |
| 216 | R | B | 0.0000 | |
| 217 | R | B | -2.0014 | |
| 218 | K | B | 0.0000 | |
| 219 | G | B | 0.0000 | |
| 220 | F | B | 0.0913 | |
| 221 | G | B | 0.0000 | |
| 222 | I | B | 0.0000 | |
| 223 | L | B | 0.0000 | |
| 224 | I | B | 0.0000 | |
| 225 | G | B | -0.0631 | |
| 226 | V | B | 0.0698 | |
| 227 | Y | B | 0.8750 | |
| 228 | G | B | -0.3031 | |
| 229 | S | B | -0.5878 | |
| 230 | S | B | 0.0000 | |
| 231 | V | B | 0.0000 | |
| 232 | I | B | 0.2278 | |
| 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 | -0.1746 | |
| 242 | V | B | 0.0534 | |
| 243 | I | B | -0.1394 | |
| 244 | D | B | -1.2699 | |
| 245 | T | B | 0.0000 | |
| 246 | P | B | -0.7274 | |
| 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 | -0.7215 | |
| 253 | A | B | 0.0000 | |
| 254 | P | B | 0.0000 | |
| 255 | S | B | 0.0000 | |
| 256 | C | B | -0.1405 | |
| 257 | S | B | -1.1199 | |
| 258 | E | B | -2.2139 | |
| 259 | K | B | -3.2119 | |
| 260 | K | B | -3.0961 | |
| 261 | G | B | -2.5740 | |
| 262 | N | B | -2.7813 | |
| 263 | Y | B | 0.0000 | |
| 264 | A | B | 0.0000 | |
| 265 | C | B | 0.0000 | |
| 266 | L | B | 0.0000 | |
| 267 | L | B | -0.3281 | |
| 268 | R | B | 0.0000 | |
| 269 | E | B | -2.2907 | |
| 270 | D | B | -1.7089 | |
| 271 | Q | B | -2.1944 | |
| 272 | G | B | 0.0000 | |
| 273 | W | B | 0.0000 | |
| 274 | Y | B | 0.0000 | |
| 275 | C | B | 0.0000 | |
| 276 | Q | B | -1.1306 | |
| 277 | N | B | -1.0907 | |
| 278 | A | B | -0.5740 | |
| 279 | G | B | -1.0368 | |
| 280 | S | B | 0.0000 | |
| 281 | T | B | 0.0000 | |
| 282 | V | B | 0.0000 | |
| 283 | Y | B | 0.0701 | |
| 284 | Y | B | 0.0000 | |
| 285 | P | B | -1.2627 | |
| 286 | N | B | 0.0000 | |
| 287 | E | B | -2.7896 | |
| 288 | K | B | -2.7666 | |
| 289 | D | B | 0.0000 | |
| 290 | C | B | -1.2577 | |
| 291 | E | B | -1.2610 | |
| 292 | T | B | 0.0000 | |
| 293 | R | B | -0.9444 | |
| 294 | G | B | -0.9480 | |
| 295 | D | B | -1.3074 | |
| 296 | H | B | 0.0000 | |
| 297 | V | B | 0.0000 | |
| 298 | F | B | 0.0000 | |
| 299 | C | B | 0.0000 | |
| 300 | D | B | -0.6009 | |
| 301 | T | B | 0.0000 | |
| 302 | A | B | 0.0000 | |
| 303 | A | B | -0.2029 | |
| 304 | G | B | 0.0000 | |
| 305 | I | B | 0.1627 | |
| 306 | N | B | 0.0000 | |
| 307 | V | B | 0.0000 | |
| 308 | A | B | 0.0000 | |
| 309 | E | B | -2.4011 | |
| 310 | Q | B | -1.5424 | |
| 311 | S | B | -1.0366 | |
| 312 | K | B | -1.3701 | |
| 313 | E | B | -1.5620 | |
| 314 | C | B | 0.0000 | |
| 315 | N | B | 0.0000 | |
| 316 | I | B | 0.1889 | |
| 317 | N | B | -0.4366 | |
| 318 | I | B | 0.0000 | |
| 319 | S | B | -0.2285 | |
| 320 | T | B | -0.3283 | |
| 321 | T | B | -0.1161 | |
| 322 | N | B | 0.0000 | |
| 323 | Y | B | 0.5190 | |
| 324 | P | B | -0.1311 | |
| 325 | C | B | 0.0000 | |
| 326 | K | B | -0.8306 | |
| 327 | V | B | 0.0000 | |
| 328 | S | B | 0.0000 | |
| 329 | T | B | 0.0000 | |
| 330 | G | B | 0.0000 | |
| 331 | R | B | 0.0000 | |
| 332 | H | B | 0.0641 | |
| 333 | P | B | 0.3910 | |
| 334 | I | B | 0.5854 | |
| 335 | S | B | 0.0000 | |
| 336 | M | B | 0.5289 | |
| 337 | V | B | 0.4063 | |
| 338 | A | B | 0.1518 | |
| 339 | L | B | 0.0000 | |
| 340 | S | B | 0.0000 | |
| 341 | P | B | 0.0000 | |
| 342 | L | B | 0.0000 | |
| 343 | G | B | 0.0000 | |
| 344 | A | B | 0.0000 | |
| 345 | L | B | 0.0000 | |
| 346 | V | B | 0.0000 | |
| 347 | A | B | 0.0000 | |
| 348 | C | B | 0.0000 | |
| 349 | Y | B | -0.8823 | |
| 350 | K | B | -2.1840 | |
| 351 | G | B | -1.2058 | |
| 352 | V | B | -0.3027 | |
| 353 | S | B | -1.1378 | |
| 354 | C | B | 0.0000 | |
| 355 | S | B | -0.8526 | |
| 356 | I | B | 0.0000 | |
| 357 | G | B | 0.0000 | |
| 358 | S | B | 0.0000 | |
| 359 | N | B | -0.6240 | |
| 360 | R | B | -1.4820 | |
| 361 | V | B | 0.1835 | |
| 362 | G | B | 0.2963 | |
| 363 | I | B | 1.1311 | |
| 364 | I | B | 1.3379 | |
| 365 | K | B | -0.7342 | |
| 366 | Q | B | -1.2939 | |
| 367 | L | B | -1.1425 | |
| 368 | N | B | -2.0533 | |
| 369 | K | B | -2.2283 | |
| 370 | G | B | -1.3791 | |
| 371 | C | B | -0.6546 | |
| 372 | S | B | -0.3874 | |
| 373 | Y | B | 0.1091 | |
| 374 | I | B | -0.1790 | |
| 375 | T | B | 0.0000 | |
| 376 | N | B | -2.0341 | |
| 377 | Q | B | 0.0000 | |
| 378 | D | B | -0.4598 | |
| 379 | A | B | 0.0000 | |
| 380 | D | B | 0.0000 | |
| 381 | T | B | -0.1717 | |
| 382 | V | B | 0.0000 | |
| 383 | T | B | -0.5962 | |
| 384 | I | B | 0.0000 | |
| 385 | D | B | -1.2535 | |
| 386 | N | B | -1.5160 | |
| 387 | T | B | 0.0000 | |
| 388 | V | B | -0.1993 | |
| 389 | Y | B | 0.0000 | |
| 390 | Q | B | 0.0000 | |
| 391 | L | B | 0.0000 | |
| 392 | S | B | 0.0000 | |
| 393 | K | B | 0.0000 | |
| 394 | V | B | -0.9806 | |
| 395 | E | B | -2.5245 | |
| 396 | G | B | -2.4830 | |
| 397 | E | B | -3.4385 | |
| 398 | Q | B | -2.6229 | |
| 399 | H | B | -1.1686 | |
| 400 | V | B | 1.0128 | |
| 401 | I | B | 0.4700 | |
| 402 | K | B | -1.5462 | |
| 403 | G | B | -1.7735 | |
| 404 | R | B | -2.5583 | |
| 405 | P | B | -1.6503 | |
| 406 | V | B | 0.0000 | |
| 407 | S | B | 0.0000 | |
| 408 | S | B | -1.2485 | |
| 409 | S | B | -0.8652 | |
| 410 | F | B | 0.0000 | |
| 411 | D | B | -1.6136 | |
| 412 | P | B | -1.2411 | |
| 413 | V | B | -1.3616 | |
| 414 | K | B | -2.5511 | |
| 415 | F | B | 0.0000 | |
| 416 | P | B | 0.0000 | |
| 417 | E | B | -2.4424 | |
| 418 | D | B | 0.0000 | |
| 419 | Q | B | 0.0000 | |
| 420 | F | B | 0.1058 | |
| 421 | N | B | -0.1042 | |
| 422 | V | B | 0.0000 | |
| 423 | A | B | 0.0000 | |
| 424 | L | B | 0.0000 | |
| 425 | P | B | 0.2476 | mutated: DP425B |
| 426 | Q | B | 0.0000 | |
| 427 | V | B | 0.0000 | |
| 428 | F | B | -0.1548 | |
| 429 | E | B | -1.5607 | |
| 430 | N | B | -1.2232 | |
| 431 | I | B | -1.2173 | |
| 432 | E | B | -2.2554 | |
| 433 | N | B | -1.3986 | |
| 434 | S | B | -1.2932 | |
| 435 | Q | B | -1.8425 | |
| 436 | A | B | -1.3925 | |
| 437 | W | B | -0.3786 | mutated: LW437B |
| 438 | V | B | -0.1945 | |
| 439 | D | B | -2.0767 | |
| 440 | Q | B | -1.5778 | |
| 441 | F | B | -0.9042 | mutated: SF441B |
| 442 | N | B | -2.0853 | |
| 443 | R | B | -2.6163 | |
| 444 | I | B | 0.0000 | |
| 445 | L | B | -1.4490 | |
| 446 | S | B | -1.9744 | |
| 447 | S | B | -2.1917 | |
| 448 | A | B | -1.9164 | |
| 449 | E | B | -2.8546 | |
| 450 | K | B | -2.8931 | |
| 451 | G | B | -2.0060 | |
| 452 | N | B | -2.2728 | |
| 453 | T | B | -2.0138 | |
| 1 | L | C | -0.6675 | |
| 2 | K | C | -2.1811 | |
| 3 | E | C | 0.0000 | |
| 4 | S | C | -0.3527 | |
| 5 | Y | C | 0.0000 | |
| 6 | L | C | 0.0000 | |
| 7 | E | C | -1.0860 | |
| 8 | E | C | -1.2330 | |
| 9 | S | C | 0.0000 | |
| 10 | C | C | 0.0000 | |
| 11 | S | C | 0.0000 | |
| 12 | T | C | 0.0000 | |
| 13 | I | C | 0.0000 | |
| 14 | T | C | 0.0000 | |
| 15 | E | C | -1.4655 | |
| 16 | G | C | -1.2582 | |
| 17 | Y | C | 0.0000 | |
| 18 | L | C | -1.1301 | |
| 19 | S | C | 0.0000 | |
| 20 | V | C | 0.0000 | |
| 21 | L | C | 0.0000 | |
| 22 | R | C | 0.0000 | |
| 23 | T | C | -0.2606 | |
| 24 | G | C | -0.2698 | |
| 25 | W | C | -0.3468 | |
| 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 | -0.8081 | |
| 34 | V | C | -1.2761 | |
| 35 | G | C | -1.3407 | |
| 36 | D | C | -1.5697 | |
| 37 | V | C | 0.0000 | |
| 38 | E | C | -1.7802 | |
| 39 | N | C | -2.1555 | |
| 40 | L | C | 0.0000 | |
| 41 | T | C | -2.2408 | |
| 42 | C | C | 0.0000 | |
| 43 | A | C | -2.2278 | |
| 44 | D | C | -2.2194 | |
| 45 | G | C | -1.3278 | |
| 46 | P | C | -0.8728 | |
| 47 | S | C | 0.0000 | |
| 48 | L | C | 0.0000 | |
| 49 | I | C | 0.0000 | |
| 50 | K | C | -1.4910 | |
| 51 | T | C | -0.8032 | |
| 52 | E | C | 0.0000 | |
| 53 | L | C | 0.0000 | |
| 54 | D | C | -1.6707 | |
| 55 | L | C | -0.9982 | |
| 56 | T | C | 0.0000 | |
| 57 | K | C | -2.4419 | |
| 58 | S | C | -1.7916 | |
| 59 | A | C | 0.0000 | |
| 60 | L | C | -1.5813 | |
| 61 | R | C | -2.6555 | |
| 62 | E | C | 0.0000 | |
| 63 | L | C | 0.0000 | |
| 64 | K | C | -2.0912 | |
| 65 | T | C | -1.2034 | |
| 66 | V | C | 0.0000 | |
| 67 | S | C | -0.6804 | |
| 68 | A | C | 0.0000 | |
| 69 | D | C | -0.9836 | |
| 70 | Q | C | 0.0000 | |
| 71 | L | C | -0.3131 | |
| 72 | G | C | 0.0000 | |
| 73 | G | C | -0.9506 | |
| 74 | G | C | -0.9742 | |
| 75 | G | C | -1.0623 | |
| 76 | S | C | -1.0482 | |
| 77 | A | C | -0.7625 | |
| 78 | T | C | -0.3328 | |
| 79 | A | C | -0.1266 | |
| 80 | A | C | 0.2713 | |
| 81 | A | C | 0.2301 | |
| 82 | V | C | 0.3633 | |
| 83 | T | C | 0.0000 | |
| 84 | A | C | 0.0000 | |
| 85 | G | C | 0.0000 | |
| 86 | V | C | 0.0000 | |
| 87 | A | C | -0.5558 | |
| 88 | I | C | 0.0000 | |
| 89 | A | C | 0.0000 | |
| 90 | K | C | -1.0902 | |
| 91 | C | C | 0.0000 | mutated: TC91C |
| 92 | I | C | 0.0000 | |
| 93 | R | C | -0.9621 | |
| 94 | L | C | 0.3423 | |
| 95 | P | C | -0.1965 | mutated: EP95C |
| 96 | S | C | -0.3484 | |
| 97 | E | C | -0.4715 | |
| 98 | V | C | -0.3407 | |
| 99 | T | C | -0.6208 | |
| 100 | A | C | -0.5587 | |
| 101 | I | C | 0.0000 | |
| 102 | K | C | -1.4768 | |
| 103 | N | C | -2.0818 | |
| 104 | A | C | -1.7110 | |
| 105 | L | C | -2.2444 | |
| 106 | K | C | -3.3483 | |
| 107 | K | C | -3.3209 | |
| 108 | T | C | -2.5737 | |
| 109 | N | C | -2.8232 | |
| 110 | E | C | -2.5833 | |
| 111 | A | C | -0.9141 | |
| 112 | V | C | 0.8249 | |
| 113 | S | C | 0.3667 | |
| 114 | T | C | -0.3468 | |
| 115 | L | C | 0.0000 | |
| 116 | G | C | -1.0380 | |
| 117 | C | C | 0.0000 | mutated: NC117C |
| 118 | G | C | -0.9039 | |
| 119 | V | C | 0.0000 | |
| 120 | R | C | -1.3952 | |
| 121 | V | C | 0.0000 | |
| 122 | L | C | 0.0000 | |
| 123 | A | C | 0.0000 | |
| 124 | T | C | 0.0000 | |
| 125 | A | C | -1.2489 | |
| 126 | V | C | 0.0000 | |
| 127 | P | C | -1.2845 | mutated: RP127C |
| 128 | E | C | -1.4645 | |
| 129 | L | C | 0.0000 | |
| 130 | K | C | -2.7137 | |
| 131 | D | C | -2.9856 | |
| 132 | F | C | 0.0000 | |
| 133 | V | C | 0.0000 | |
| 134 | S | C | -2.1350 | |
| 135 | K | C | -2.1386 | |
| 136 | N | C | -2.0834 | |
| 137 | L | C | 0.0000 | |
| 138 | T | C | -2.0579 | |
| 139 | R | C | -2.8151 | |
| 140 | A | C | -2.2944 | |
| 141 | I | C | 0.0000 | |
| 142 | N | C | -3.7559 | |
| 143 | K | C | -3.7171 | |
| 144 | N | C | -3.6202 | |
| 145 | K | C | -3.5151 | |
| 146 | C | C | 0.0000 | |
| 147 | D | C | -2.4793 | |
| 148 | I | C | 0.0470 | |
| 149 | P | C | 0.0000 | mutated: DP149C |
| 150 | D | C | -1.3953 | |
| 151 | L | C | 0.0000 | |
| 152 | K | C | -1.0889 | |
| 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 | 0.0000 | |
| 159 | Q | C | 0.0000 | |
| 160 | F | C | 0.0000 | |
| 161 | N | C | 0.0000 | |
| 162 | R | C | -0.4605 | |
| 163 | R | C | 0.0000 | |
| 164 | F | C | 0.0000 | |
| 165 | L | C | -0.2141 | |
| 166 | N | C | -0.3217 | |
| 167 | V | C | 0.0000 | |
| 168 | V | C | 0.0000 | |
| 169 | R | C | 0.0000 | |
| 170 | Q | C | -0.5645 | |
| 171 | F | C | 0.0000 | |
| 172 | S | C | 0.0000 | |
| 173 | D | C | -1.0857 | |
| 174 | N | C | -0.7824 | |
| 175 | A | C | 0.0000 | |
| 176 | G | C | 0.0000 | |
| 177 | I | C | 0.0000 | |
| 178 | T | C | -0.3048 | |
| 179 | P | C | -0.3385 | |
| 180 | A | C | 0.0000 | |
| 181 | I | C | -0.0106 | |
| 182 | S | C | -0.2887 | |
| 183 | L | C | 0.0000 | |
| 184 | D | C | 0.0000 | |
| 185 | L | C | 0.0000 | |
| 186 | M | C | 0.0000 | |
| 187 | T | C | -0.5138 | |
| 188 | D | C | 0.0000 | |
| 189 | A | C | -0.3071 | |
| 190 | E | C | -0.5226 | |
| 191 | L | C | 0.0000 | |
| 192 | A | C | -0.5582 | |
| 193 | R | C | -1.4033 | |
| 194 | A | C | 0.0000 | |
| 195 | V | C | 0.0000 | |
| 196 | S | C | -1.1645 | |
| 197 | N | C | -1.4690 | |
| 198 | M | C | 0.0000 | |
| 199 | P | C | -0.9164 | |
| 200 | T | C | -0.3832 | |
| 201 | S | C | -0.4090 | |
| 202 | A | C | -0.5771 | |
| 203 | G | C | -0.4537 | |
| 204 | Q | C | 0.0000 | |
| 205 | I | C | -0.6474 | |
| 206 | K | C | -1.3017 | |
| 207 | L | C | -0.1973 | |
| 208 | M | C | 0.0000 | |
| 209 | L | C | -0.0056 | |
| 210 | E | C | -0.4300 | |
| 211 | N | C | 0.0000 | |
| 212 | R | C | 0.0000 | |
| 213 | A | C | -0.6978 | |
| 214 | M | C | 0.0000 | |
| 215 | V | C | 0.0000 | |
| 216 | R | C | -0.9383 | |
| 217 | R | C | -1.3796 | |
| 218 | K | C | -0.7895 | |
| 219 | G | C | -0.3832 | |
| 220 | F | C | 0.0932 | |
| 221 | G | C | 0.0000 | |
| 222 | I | C | 0.0000 | |
| 223 | L | C | 0.0000 | |
| 224 | I | C | 0.0000 | |
| 225 | G | C | -0.2508 | |
| 226 | V | C | 0.2065 | |
| 227 | Y | C | 0.2117 | |
| 228 | G | C | -0.2408 | |
| 229 | S | C | -0.3380 | |
| 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 | 0.3269 | |
| 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 | -0.1206 | |
| 242 | V | C | -0.0556 | |
| 243 | I | C | -0.2833 | |
| 244 | D | C | -1.5114 | |
| 245 | T | C | -0.8876 | |
| 246 | P | C | -0.8158 | |
| 247 | C | C | 0.0000 | |
| 248 | W | C | -0.3568 | |
| 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 | 0.0000 | |
| 257 | S | C | 0.0000 | |
| 258 | E | C | -2.8980 | |
| 259 | K | C | -3.5220 | |
| 260 | K | C | -3.6532 | |
| 261 | G | C | -2.1654 | |
| 262 | N | C | -1.9037 | |
| 263 | Y | C | 0.0000 | |
| 264 | A | C | 0.0000 | |
| 265 | C | C | 0.0000 | |
| 266 | L | C | 0.0000 | |
| 267 | L | C | 0.0000 | |
| 268 | R | C | 0.0000 | |
| 269 | E | C | -0.8330 | |
| 270 | D | C | -1.1142 | |
| 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 | -0.6772 | |
| 277 | N | C | 0.0000 | |
| 278 | A | C | -0.5954 | |
| 279 | G | C | -0.7072 | |
| 280 | S | C | 0.0000 | |
| 281 | T | C | -0.8050 | |
| 282 | V | C | -0.2416 | |
| 283 | Y | C | 0.0000 | |
| 284 | Y | C | 0.0000 | |
| 285 | P | C | -1.0184 | |
| 286 | N | C | -1.6381 | |
| 287 | E | C | -1.9094 | |
| 288 | K | C | -2.3794 | |
| 289 | D | C | -1.5253 | |
| 290 | C | C | 0.0000 | |
| 291 | E | C | -1.2551 | |
| 292 | T | C | 0.0000 | |
| 293 | R | C | -1.5222 | |
| 294 | G | C | -1.3134 | |
| 295 | D | C | -1.7733 | |
| 296 | H | C | -1.4619 | |
| 297 | V | C | 0.0000 | |
| 298 | F | C | 0.0000 | |
| 299 | C | C | 0.0000 | |
| 300 | D | C | -0.5720 | |
| 301 | T | C | 0.0000 | |
| 302 | A | C | -0.0432 | |
| 303 | A | C | 0.0000 | |
| 304 | G | C | -0.2821 | |
| 305 | I | C | 0.4977 | |
| 306 | N | C | 0.0000 | |
| 307 | V | C | 0.0000 | |
| 308 | A | C | -0.7688 | |
| 309 | E | C | -1.9881 | |
| 310 | Q | C | 0.0000 | |
| 311 | S | C | 0.0000 | |
| 312 | K | C | -0.8009 | |
| 313 | E | C | -0.9656 | |
| 314 | C | C | 0.0000 | |
| 315 | N | C | 0.0000 | |
| 316 | I | C | -0.1476 | |
| 317 | N | C | -0.3391 | |
| 318 | I | C | 1.2579 | |
| 319 | S | C | 0.1388 | |
| 320 | T | C | 0.0636 | |
| 321 | T | C | -0.0238 | |
| 322 | N | C | -0.4441 | |
| 323 | Y | C | -0.1807 | |
| 324 | P | C | -0.3361 | |
| 325 | C | C | 0.0000 | |
| 326 | K | C | -0.5194 | |
| 327 | V | C | 0.0000 | |
| 328 | S | C | -0.0134 | |
| 329 | T | C | 0.0000 | |
| 330 | G | C | 0.0000 | |
| 331 | R | C | -0.6918 | |
| 332 | H | C | -0.9165 | |
| 333 | P | C | -1.1551 | |
| 334 | I | C | -0.1542 | |
| 335 | S | C | 0.0000 | |
| 336 | M | C | 0.0000 | |
| 337 | V | C | 0.0000 | |
| 338 | A | C | 0.0000 | |
| 339 | L | C | 0.0000 | |
| 340 | S | C | 0.0000 | |
| 341 | P | C | 0.0000 | |
| 342 | L | C | 0.2837 | |
| 343 | G | C | 0.0000 | |
| 344 | A | C | 0.0000 | |
| 345 | L | C | 0.0000 | |
| 346 | V | C | 0.0000 | |
| 347 | A | C | 0.0000 | |
| 348 | C | C | 0.0000 | |
| 349 | Y | C | 0.0000 | |
| 350 | K | C | -3.2679 | |
| 351 | G | C | -2.7147 | |
| 352 | V | C | -1.7547 | |
| 353 | S | C | -1.5679 | |
| 354 | C | C | 0.0000 | |
| 355 | S | C | -0.7338 | |
| 356 | I | C | 0.0000 | |
| 357 | G | C | 0.0000 | |
| 358 | S | C | -0.0334 | |
| 359 | N | C | -0.2987 | |
| 360 | R | C | -1.0064 | |
| 361 | V | C | 1.0690 | |
| 362 | G | C | 0.8911 | |
| 363 | I | C | 1.7106 | |
| 364 | I | C | 0.5429 | |
| 365 | K | C | -1.4214 | |
| 366 | Q | C | -1.7355 | |
| 367 | L | C | 0.0000 | |
| 368 | N | C | -2.5733 | |
| 369 | K | C | -2.6705 | |
| 370 | G | C | -1.6897 | |
| 371 | C | C | 0.0000 | |
| 372 | S | C | -0.5572 | |
| 373 | Y | C | 0.0000 | |
| 374 | I | C | 0.0000 | |
| 375 | T | C | -1.6335 | |
| 376 | N | C | -2.6527 | |
| 377 | Q | C | -2.3835 | |
| 378 | D | C | -2.7323 | |
| 379 | A | C | 0.0000 | |
| 380 | D | C | -0.4574 | |
| 381 | T | C | 0.0912 | |
| 382 | V | C | 0.0000 | |
| 383 | T | C | -0.3011 | |
| 384 | I | C | 0.0000 | |
| 385 | D | C | -1.3913 | |
| 386 | N | C | -0.8162 | |
| 387 | T | C | 0.0000 | |
| 388 | V | C | -0.0352 | |
| 389 | Y | C | 0.0000 | |
| 390 | Q | C | 0.0000 | |
| 391 | L | C | 0.0000 | |
| 392 | S | C | -0.6003 | |
| 393 | K | C | -1.2484 | |
| 394 | V | C | 0.0668 | |
| 395 | E | C | -2.1315 | |
| 396 | G | C | -2.0355 | |
| 397 | E | C | -2.7835 | |
| 398 | Q | C | -1.9305 | |
| 399 | H | C | -1.0586 | |
| 400 | V | C | 0.6030 | |
| 401 | I | C | -0.0173 | |
| 402 | K | C | -1.8363 | |
| 403 | G | C | -2.0741 | |
| 404 | R | C | -2.5322 | |
| 405 | P | C | -1.5358 | |
| 406 | V | C | -0.5500 | |
| 407 | S | C | 0.0000 | |
| 408 | S | C | -0.5623 | |
| 409 | S | C | -0.4349 | |
| 410 | F | C | -0.0256 | |
| 411 | D | C | -0.7656 | |
| 412 | P | C | 0.1552 | |
| 413 | V | C | 0.8513 | |
| 414 | K | C | 0.5593 | |
| 415 | F | C | 0.0000 | |
| 416 | P | C | -0.2636 | |
| 417 | E | C | 0.0000 | |
| 418 | D | C | 0.0000 | |
| 419 | Q | C | 0.2748 | |
| 420 | F | C | 0.8093 | |
| 421 | N | C | 0.1155 | |
| 422 | V | C | 0.0000 | |
| 423 | A | C | 0.0000 | |
| 424 | L | C | 0.1111 | |
| 425 | P | C | -0.0383 | mutated: DP425C |
| 426 | Q | C | 0.0000 | |
| 427 | V | C | 0.0000 | |
| 428 | F | C | 0.3969 | |
| 429 | E | C | -1.8173 | |
| 430 | N | C | -1.2921 | |
| 431 | I | C | 0.0000 | |
| 432 | E | C | -2.0107 | |
| 433 | N | C | -1.5839 | |
| 434 | S | C | -1.0638 | |
| 435 | Q | C | -1.8045 | |
| 436 | A | C | -1.4398 | |
| 437 | W | C | -0.7249 | mutated: LW437C |
| 438 | V | C | -0.8915 | |
| 439 | D | C | -1.8880 | |
| 440 | Q | C | -1.4771 | |
| 441 | F | C | 0.0000 | mutated: SF441C |
| 442 | N | C | -2.3843 | |
| 443 | R | C | -2.4559 | |
| 444 | I | C | 0.0000 | |
| 445 | L | C | -1.6788 | |
| 446 | S | C | -1.9222 | |
| 447 | S | C | -2.3135 | |
| 448 | A | C | -2.4118 | |
| 449 | E | C | -3.0649 | |
| 450 | K | C | -3.0267 | |
| 451 | G | C | -2.6395 | |
| 452 | N | C | -2.5975 | |
| 453 | T | C | -1.6173 |
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, -0.6316 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_5 | -0.6316 | View | CSV | PDB |
| model_6 | -0.6357 | View | CSV | PDB |
| model_11 | -0.638 | View | CSV | PDB |
| model_4 | -0.6406 | View | CSV | PDB |
| model_0 | -0.6485 | View | CSV | PDB |
| model_2 | -0.6488 | View | CSV | PDB |
| model_9 | -0.6508 | View | CSV | PDB |
| model_8 | -0.6515 | View | CSV | PDB |
| CABS_average | -0.6547 | View | CSV | PDB |
| input | -0.6548 | View | CSV | PDB |
| model_3 | -0.6576 | View | CSV | PDB |
| model_7 | -0.6757 | View | CSV | PDB |
| model_1 | -0.6801 | View | CSV | PDB |
| model_10 | -0.6973 | 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