Project name: MPV_sd2 [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, QK440A, QK440C, QK440B]
Status: done
Started: 2025-12-12 07:55:03
| 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,QK440A,EP95B,NC117B,TC91B,QK440B,SF441B,EP95A,TC91A,DP425B,TC91C,SF441A,EP95C,LW437A,RP127B,NC117C,SF441C,QK440C,DP425C,DP149B,DP149A,LW437B,RP127A,DP149C,DP425A,RP127C,LW437C |
| Energy difference between WT (input) and mutated protein (by FoldX) | 2.78401 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] (00:00:02)
[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 (00:32:32)
[INFO] CABS: Running CABS flex simulation (00:48:17)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (10:17:18)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (10:17:48)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (10:18:19)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (10:18:51)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (10:19:22)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (10:19:53)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (10:20:23)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (10:20:55)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (10:21:27)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (10:21:57)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (10:22:27)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (10:22:57)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (10:23:27)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (10:24:28)
[INFO] Main: Simulation completed successfully. (10:24:56)
|
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
- -4.1935
- Maximal score value
- 2.8043
- Average score
- -0.6187
- Total score value
- -840.8462
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 | 0.1326 | |
| 2 | K | A | -1.6263 | |
| 3 | E | A | 0.0000 | |
| 4 | S | A | -0.5398 | |
| 5 | Y | A | 0.0000 | |
| 6 | L | A | 0.0000 | |
| 7 | E | A | -1.2055 | |
| 8 | E | A | -1.4623 | |
| 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 | -0.8708 | |
| 16 | G | A | -0.3886 | |
| 17 | Y | A | -0.4717 | |
| 18 | L | A | -0.6217 | |
| 19 | S | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | R | A | 0.0000 | |
| 23 | T | A | 0.0047 | |
| 24 | G | A | -0.0358 | |
| 25 | W | A | -0.1297 | |
| 26 | Y | A | 0.0000 | |
| 27 | T | A | 0.0000 | |
| 28 | N | A | 0.0000 | |
| 29 | V | A | 0.0000 | |
| 30 | F | A | 0.0000 | |
| 31 | T | A | 0.0000 | |
| 32 | L | A | 0.0000 | |
| 33 | E | A | 0.0000 | |
| 34 | V | A | 0.0000 | |
| 35 | G | A | -1.3896 | |
| 36 | D | A | -1.6311 | |
| 37 | V | A | 0.0000 | |
| 38 | E | A | -2.9101 | |
| 39 | N | A | -2.4506 | |
| 40 | L | A | 0.0000 | |
| 41 | T | A | -2.7178 | |
| 42 | C | A | 0.0000 | |
| 43 | A | A | -2.4319 | |
| 44 | D | A | -3.5101 | |
| 45 | G | A | -2.9695 | |
| 46 | P | A | -1.7110 | |
| 47 | S | A | -1.2474 | |
| 48 | L | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | K | A | -2.3127 | |
| 51 | T | A | 0.0000 | |
| 52 | E | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | D | A | -1.7032 | |
| 55 | L | A | -0.9447 | |
| 56 | T | A | 0.0000 | |
| 57 | K | A | -1.8584 | |
| 58 | S | A | 0.0000 | |
| 59 | A | A | 0.0000 | |
| 60 | L | A | -1.5899 | |
| 61 | R | A | -2.7624 | |
| 62 | E | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -2.5157 | |
| 65 | T | A | -1.2834 | |
| 66 | V | A | 0.0000 | |
| 67 | S | A | 0.0000 | |
| 68 | A | A | -0.8676 | |
| 69 | D | A | 0.0000 | |
| 70 | Q | A | -0.7112 | |
| 71 | L | A | -0.4273 | |
| 72 | G | A | -0.4624 | |
| 73 | G | A | 0.0000 | |
| 74 | G | A | -0.3102 | |
| 75 | G | A | 0.0000 | |
| 76 | S | A | -0.6055 | |
| 77 | A | A | 0.0159 | |
| 78 | T | A | -0.1893 | |
| 79 | A | A | 0.0327 | |
| 80 | A | A | 0.0000 | |
| 81 | A | A | 0.2758 | |
| 82 | V | A | 0.3749 | |
| 83 | T | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | G | A | 0.0000 | |
| 86 | V | A | 0.1144 | |
| 87 | A | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | K | A | -0.9427 | |
| 91 | C | A | 0.0000 | mutated: TC91A |
| 92 | I | A | 0.0000 | |
| 93 | R | A | -1.5336 | |
| 94 | L | A | -0.1926 | |
| 95 | P | A | -0.3755 | mutated: EP95A |
| 96 | S | A | -0.2137 | |
| 97 | E | A | 0.0000 | |
| 98 | V | A | 0.0752 | |
| 99 | T | A | -0.2094 | |
| 100 | A | A | -0.1339 | |
| 101 | I | A | 0.0000 | |
| 102 | K | A | -1.2406 | |
| 103 | N | A | -2.1124 | |
| 104 | A | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | K | A | -3.0966 | |
| 107 | K | A | -3.3039 | |
| 108 | T | A | -2.1908 | |
| 109 | N | A | -2.5406 | |
| 110 | E | A | -1.9877 | |
| 111 | A | A | -0.2903 | |
| 112 | V | A | 1.0419 | |
| 113 | S | A | 0.3710 | |
| 114 | T | A | -0.2300 | |
| 115 | L | A | -0.5375 | |
| 116 | G | A | -1.2121 | |
| 117 | C | A | -1.1927 | mutated: NC117A |
| 118 | G | A | -1.0336 | |
| 119 | V | A | 0.0000 | |
| 120 | R | A | -1.1220 | |
| 121 | V | A | 0.0000 | |
| 122 | L | A | -0.0565 | |
| 123 | A | A | 0.0000 | |
| 124 | T | A | 0.0000 | |
| 125 | A | A | -1.3793 | |
| 126 | V | A | -0.8829 | |
| 127 | P | A | -1.5910 | mutated: RP127A |
| 128 | E | A | -1.8245 | |
| 129 | L | A | 0.0000 | |
| 130 | K | A | -2.2566 | |
| 131 | D | A | -2.7517 | |
| 132 | F | A | -2.0930 | |
| 133 | V | A | 0.0000 | |
| 134 | S | A | -2.1440 | |
| 135 | K | A | -2.7633 | |
| 136 | N | A | -2.1024 | |
| 137 | L | A | 0.0000 | |
| 138 | T | A | -2.2501 | |
| 139 | R | A | -2.7097 | |
| 140 | A | A | -2.5077 | |
| 141 | I | A | 0.0000 | |
| 142 | N | A | -3.3071 | |
| 143 | K | A | -3.0850 | |
| 144 | N | A | -3.6373 | |
| 145 | K | A | -4.0436 | |
| 146 | C | A | 0.0000 | |
| 147 | D | A | -3.0934 | |
| 148 | I | A | 0.0000 | |
| 149 | P | A | -1.5543 | mutated: DP149A |
| 150 | D | A | -1.9762 | |
| 151 | L | A | -1.4781 | |
| 152 | K | A | -1.3291 | |
| 153 | M | A | 0.0000 | |
| 154 | A | A | 0.0000 | |
| 155 | V | A | -0.2774 | |
| 156 | S | A | 0.0000 | |
| 157 | F | A | 0.0000 | |
| 158 | S | A | -0.3082 | |
| 159 | Q | A | -0.5792 | |
| 160 | F | A | 0.0000 | |
| 161 | N | A | 0.0000 | |
| 162 | R | A | -1.1201 | |
| 163 | R | A | -0.9980 | |
| 164 | F | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | N | A | -0.7793 | |
| 167 | V | A | 0.0000 | |
| 168 | V | A | 0.0000 | |
| 169 | R | A | -0.5289 | |
| 170 | Q | A | -0.5058 | |
| 171 | F | A | 0.0000 | |
| 172 | S | A | 0.0000 | |
| 173 | D | A | 0.0000 | |
| 174 | N | A | -0.5286 | |
| 175 | A | A | 0.0000 | |
| 176 | G | A | 0.0000 | |
| 177 | I | A | 0.0000 | |
| 178 | T | A | 0.0000 | |
| 179 | P | A | -0.3587 | |
| 180 | A | A | 0.0000 | |
| 181 | I | A | 0.0000 | |
| 182 | S | A | -0.6427 | |
| 183 | L | A | -0.4997 | |
| 184 | D | A | -0.7914 | |
| 185 | L | A | 0.0000 | |
| 186 | M | A | 0.0000 | |
| 187 | T | A | -0.2609 | |
| 188 | D | A | 0.0000 | |
| 189 | A | A | -0.5720 | |
| 190 | E | A | -0.6688 | |
| 191 | L | A | -0.6591 | |
| 192 | A | A | -0.8876 | |
| 193 | R | A | -1.9678 | |
| 194 | A | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | S | A | -1.3768 | |
| 197 | N | A | -1.5904 | |
| 198 | M | A | 0.0000 | |
| 199 | P | A | -0.6545 | |
| 200 | T | A | -0.7107 | |
| 201 | S | A | -0.7637 | |
| 202 | A | A | -0.5993 | |
| 203 | G | A | -1.0738 | |
| 204 | Q | A | -0.9174 | |
| 205 | I | A | -0.8459 | |
| 206 | K | A | -1.6461 | |
| 207 | L | A | 0.0000 | |
| 208 | M | A | 0.0000 | |
| 209 | L | A | -0.3837 | |
| 210 | E | A | -0.9244 | |
| 211 | N | A | 0.0000 | |
| 212 | R | A | -0.8418 | |
| 213 | A | A | 0.0000 | |
| 214 | M | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | R | A | 0.0000 | |
| 217 | R | A | -0.7879 | |
| 218 | K | A | -0.5701 | |
| 219 | G | A | -0.0155 | |
| 220 | F | A | 0.4422 | |
| 221 | G | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | L | A | 0.0000 | |
| 224 | I | A | 0.2782 | |
| 225 | G | A | 0.2469 | |
| 226 | V | A | 1.1808 | |
| 227 | Y | A | 1.4740 | |
| 228 | G | A | 0.1872 | |
| 229 | S | A | -0.5444 | |
| 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 | -0.1526 | |
| 242 | V | A | 0.0075 | |
| 243 | I | A | -0.4574 | |
| 244 | D | A | -1.4934 | |
| 245 | T | A | 0.0000 | |
| 246 | P | A | -0.5913 | |
| 247 | C | A | 0.0000 | |
| 248 | W | A | -0.1635 | |
| 249 | I | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | K | A | 0.0000 | |
| 252 | A | A | -0.3040 | |
| 253 | A | A | 0.0000 | |
| 254 | P | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | C | A | -0.7955 | |
| 257 | S | A | -1.8119 | |
| 258 | E | A | -3.2659 | |
| 259 | K | A | -3.7057 | |
| 260 | K | A | -3.1957 | |
| 261 | G | A | -2.1118 | |
| 262 | N | A | -2.1681 | |
| 263 | Y | A | -1.7565 | |
| 264 | A | A | 0.0000 | |
| 265 | C | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | L | A | 0.1474 | |
| 268 | R | A | 0.0000 | |
| 269 | E | A | -1.2167 | |
| 270 | D | A | -2.1040 | |
| 271 | Q | A | -1.3222 | |
| 272 | G | A | 0.0000 | |
| 273 | W | A | 0.0000 | |
| 274 | Y | A | 0.0000 | |
| 275 | C | A | 0.0000 | |
| 276 | Q | A | -0.6288 | |
| 277 | N | A | 0.0000 | |
| 278 | A | A | -0.5940 | |
| 279 | G | A | -0.8709 | |
| 280 | S | A | -0.9912 | |
| 281 | T | A | -0.7703 | |
| 282 | V | A | 0.0000 | |
| 283 | Y | A | 0.1196 | |
| 284 | Y | A | 0.0000 | |
| 285 | P | A | -1.0510 | |
| 286 | N | A | -1.6970 | |
| 287 | E | A | 0.0000 | |
| 288 | K | A | -2.2127 | |
| 289 | D | A | -1.5871 | |
| 290 | C | A | 0.0000 | |
| 291 | E | A | -1.0329 | |
| 292 | T | A | -1.2137 | |
| 293 | R | A | -1.7298 | |
| 294 | G | A | -1.4185 | |
| 295 | D | A | -1.2483 | |
| 296 | H | A | -1.1202 | |
| 297 | V | A | 0.0000 | |
| 298 | F | A | 0.0000 | |
| 299 | C | A | 0.0000 | |
| 300 | D | A | -0.7936 | |
| 301 | T | A | 0.0000 | |
| 302 | A | A | 0.0644 | |
| 303 | A | A | -0.0697 | |
| 304 | G | A | 0.1787 | |
| 305 | I | A | 0.8448 | |
| 306 | N | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | A | A | -1.1604 | |
| 309 | E | A | -2.0990 | |
| 310 | Q | A | 0.0000 | |
| 311 | S | A | 0.0000 | |
| 312 | K | A | -1.6939 | |
| 313 | E | A | -1.9676 | |
| 314 | C | A | 0.0000 | |
| 315 | N | A | -1.1369 | |
| 316 | I | A | 0.0000 | |
| 317 | N | A | -1.6626 | |
| 318 | I | A | -0.5394 | |
| 319 | S | A | 0.0000 | |
| 320 | T | A | -0.1239 | |
| 321 | T | A | -0.4257 | |
| 322 | N | A | -0.7414 | |
| 323 | Y | A | 0.0212 | |
| 324 | P | A | 0.0000 | |
| 325 | C | A | 0.0000 | |
| 326 | K | A | -0.3277 | |
| 327 | V | A | 0.0000 | |
| 328 | S | A | 0.2836 | |
| 329 | T | A | 0.0000 | |
| 330 | G | A | 0.1919 | |
| 331 | R | A | -0.4594 | |
| 332 | H | A | -0.3054 | |
| 333 | P | A | -0.0124 | |
| 334 | I | A | 0.5032 | |
| 335 | S | A | 0.0000 | |
| 336 | M | A | 0.5229 | |
| 337 | V | A | 0.4628 | |
| 338 | A | A | 0.0000 | |
| 339 | L | A | 0.0000 | |
| 340 | S | A | 0.0000 | |
| 341 | P | A | 0.3654 | |
| 342 | L | A | -0.2549 | |
| 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 | -0.8771 | |
| 350 | K | A | -2.3535 | |
| 351 | G | A | -1.2499 | |
| 352 | V | A | -0.4050 | |
| 353 | S | A | -1.0011 | |
| 354 | C | A | 0.0000 | |
| 355 | S | A | -0.1525 | |
| 356 | I | A | 0.0000 | |
| 357 | G | A | 0.0000 | |
| 358 | S | A | 0.5530 | |
| 359 | N | A | 0.0000 | |
| 360 | R | A | 0.7166 | |
| 361 | V | A | 1.9945 | |
| 362 | G | A | 1.9974 | |
| 363 | I | A | 2.8043 | |
| 364 | I | A | 2.1047 | |
| 365 | K | A | -0.5863 | |
| 366 | Q | A | -1.2683 | |
| 367 | L | A | -1.3910 | |
| 368 | N | A | -2.3829 | |
| 369 | K | A | -1.9016 | |
| 370 | G | A | -1.0919 | |
| 371 | C | A | -0.5178 | |
| 372 | S | A | -0.2980 | |
| 373 | Y | A | 0.2610 | |
| 374 | I | A | -0.1896 | |
| 375 | T | A | 0.0000 | |
| 376 | N | A | -2.3688 | |
| 377 | Q | A | 0.0000 | |
| 378 | D | A | -2.2803 | |
| 379 | A | A | 0.0000 | |
| 380 | D | A | 0.0000 | |
| 381 | T | A | 0.0000 | |
| 382 | V | A | 0.0000 | |
| 383 | T | A | 0.3320 | |
| 384 | I | A | 0.0000 | |
| 385 | D | A | -0.6584 | |
| 386 | N | A | -0.5481 | |
| 387 | T | A | 0.0000 | |
| 388 | V | A | 0.3177 | |
| 389 | Y | A | 0.0000 | |
| 390 | Q | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | S | A | -0.1735 | |
| 393 | K | A | -0.6976 | |
| 394 | V | A | 0.3016 | |
| 395 | E | A | -2.0563 | |
| 396 | G | A | -1.9035 | |
| 397 | E | A | -2.6185 | |
| 398 | Q | A | -1.8541 | |
| 399 | H | A | -1.1077 | |
| 400 | V | A | 0.2685 | |
| 401 | I | A | -0.1941 | |
| 402 | K | A | -1.7589 | |
| 403 | G | A | -1.5318 | |
| 404 | R | A | -1.7276 | |
| 405 | P | A | -1.2619 | |
| 406 | V | A | 0.0000 | |
| 407 | S | A | 0.0000 | |
| 408 | S | A | -1.2229 | |
| 409 | S | A | -0.8125 | |
| 410 | F | A | 0.0000 | |
| 411 | D | A | -2.1639 | |
| 412 | P | A | 0.0000 | |
| 413 | V | A | -0.0638 | |
| 414 | K | A | -0.4201 | |
| 415 | F | A | 0.0000 | |
| 416 | P | A | -0.3545 | |
| 417 | E | A | 0.0000 | |
| 418 | D | A | 0.0000 | |
| 419 | Q | A | 0.0000 | |
| 420 | F | A | 2.1107 | |
| 421 | N | A | 0.9513 | |
| 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 | -0.3544 | |
| 427 | V | A | 0.0000 | |
| 428 | F | A | -0.3074 | |
| 429 | E | A | -1.2432 | |
| 430 | N | A | -1.0338 | |
| 431 | I | A | 0.0000 | |
| 432 | E | A | -1.4916 | |
| 433 | N | A | -2.0195 | |
| 434 | S | A | -1.3362 | |
| 435 | Q | A | -1.8324 | |
| 436 | A | A | -1.8808 | |
| 437 | W | A | -1.4691 | mutated: LW437A |
| 438 | V | A | -1.7824 | |
| 439 | D | A | -3.2778 | |
| 440 | K | A | -3.0469 | mutated: QK440A |
| 441 | F | A | -1.8690 | mutated: SF441A |
| 442 | N | A | -2.9323 | |
| 443 | R | A | -3.2637 | |
| 444 | I | A | 0.0000 | |
| 445 | L | A | -2.0775 | |
| 446 | S | A | -2.1240 | |
| 447 | S | A | -1.9160 | |
| 448 | A | A | -2.2332 | |
| 449 | E | A | -3.0309 | |
| 450 | K | A | -2.8468 | |
| 451 | G | A | -2.2626 | |
| 452 | N | A | -2.5506 | |
| 453 | T | A | -1.9203 | |
| 1 | L | B | 0.2632 | |
| 2 | K | B | -1.1265 | |
| 3 | E | B | 0.0000 | |
| 4 | S | B | 0.0000 | |
| 5 | Y | B | 0.0000 | |
| 6 | L | B | 0.0000 | |
| 7 | E | B | -1.1705 | |
| 8 | E | B | -1.1984 | |
| 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 | -0.4964 | |
| 15 | E | B | -0.3883 | |
| 16 | G | B | -0.0932 | |
| 17 | Y | B | 0.0000 | |
| 18 | L | B | 0.0418 | |
| 19 | S | B | 0.0000 | |
| 20 | V | B | 0.0000 | |
| 21 | L | B | 0.0000 | |
| 22 | R | B | 0.0000 | |
| 23 | T | B | -0.0768 | |
| 24 | G | B | -0.1757 | |
| 25 | W | B | 0.0000 | |
| 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 | -0.8457 | |
| 34 | V | B | 0.0000 | |
| 35 | G | B | -1.2535 | |
| 36 | D | B | -1.4186 | |
| 37 | V | B | -1.6671 | |
| 38 | E | B | -2.8086 | |
| 39 | N | B | -2.2538 | |
| 40 | L | B | 0.0000 | |
| 41 | T | B | -1.7569 | |
| 42 | C | B | -1.3585 | |
| 43 | A | B | -0.4601 | |
| 44 | D | B | -1.0932 | |
| 45 | G | B | -1.2952 | |
| 46 | P | B | -1.0979 | |
| 47 | S | B | 0.0000 | |
| 48 | L | B | 0.0000 | |
| 49 | I | B | 0.0000 | |
| 50 | K | B | -1.4854 | |
| 51 | T | B | -0.7655 | |
| 52 | E | B | 0.0000 | |
| 53 | L | B | 0.0000 | |
| 54 | D | B | -2.1878 | |
| 55 | L | B | -1.0730 | |
| 56 | T | B | 0.0000 | |
| 57 | K | B | -2.0402 | |
| 58 | S | B | -1.6298 | |
| 59 | A | B | 0.0000 | |
| 60 | L | B | 0.0000 | |
| 61 | R | B | -2.6725 | |
| 62 | E | B | 0.0000 | |
| 63 | L | B | 0.0000 | |
| 64 | K | B | -2.1695 | |
| 65 | T | B | -1.6032 | |
| 66 | V | B | 0.0000 | |
| 67 | S | B | -1.2966 | |
| 68 | A | B | 0.0000 | |
| 69 | D | B | -2.0851 | |
| 70 | Q | B | 0.0000 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | -0.6688 | |
| 73 | G | B | -1.1254 | |
| 74 | G | B | -0.6496 | |
| 75 | G | B | 0.0000 | |
| 76 | S | B | 0.0000 | |
| 77 | A | B | -0.3130 | |
| 78 | T | B | -0.1769 | |
| 79 | A | B | 0.1960 | |
| 80 | A | B | 0.0000 | |
| 81 | A | B | 0.0000 | |
| 82 | V | B | 0.3681 | |
| 83 | T | B | 0.0000 | |
| 84 | A | B | 0.0000 | |
| 85 | G | B | 0.0000 | |
| 86 | V | B | -0.2429 | |
| 87 | A | B | 0.0185 | |
| 88 | I | B | 0.0000 | |
| 89 | A | B | 0.0000 | |
| 90 | K | B | -0.5837 | |
| 91 | C | B | 0.1947 | mutated: TC91B |
| 92 | I | B | 0.0000 | |
| 93 | R | B | -0.2426 | |
| 94 | L | B | 0.6424 | |
| 95 | P | B | 0.0910 | mutated: EP95B |
| 96 | S | B | -0.1491 | |
| 97 | E | B | -0.3171 | |
| 98 | V | B | -0.5526 | |
| 99 | T | B | -0.9646 | |
| 100 | A | B | -1.2892 | |
| 101 | I | B | 0.0000 | |
| 102 | K | B | -3.0517 | |
| 103 | N | B | -3.0327 | |
| 104 | A | B | -2.3858 | |
| 105 | L | B | 0.0000 | |
| 106 | K | B | -3.9120 | |
| 107 | K | B | -3.4468 | |
| 108 | T | B | -2.2479 | |
| 109 | N | B | -2.9188 | |
| 110 | E | B | -1.7848 | |
| 111 | A | B | -0.5643 | |
| 112 | V | B | 1.3862 | |
| 113 | S | B | 0.5585 | |
| 114 | T | B | 0.1777 | |
| 115 | L | B | -0.1549 | |
| 116 | G | B | -0.7544 | |
| 117 | C | B | -0.5840 | mutated: NC117B |
| 118 | G | B | -0.6561 | |
| 119 | V | B | 0.0000 | |
| 120 | R | B | -0.3837 | |
| 121 | V | B | 0.0000 | |
| 122 | L | B | 0.0000 | |
| 123 | A | B | 0.0000 | |
| 124 | T | B | 0.0000 | |
| 125 | A | B | 0.0000 | |
| 126 | V | B | -0.6930 | |
| 127 | P | B | -1.2702 | mutated: RP127B |
| 128 | E | B | -1.3688 | |
| 129 | L | B | 0.0000 | |
| 130 | K | B | -2.0777 | |
| 131 | D | B | -2.2609 | |
| 132 | F | B | -1.4110 | |
| 133 | V | B | -1.4397 | |
| 134 | S | B | -1.9532 | |
| 135 | K | B | -2.5348 | |
| 136 | N | B | 0.0000 | |
| 137 | L | B | 0.0000 | |
| 138 | T | B | -1.9575 | |
| 139 | R | B | -2.7405 | |
| 140 | A | B | -2.7180 | |
| 141 | I | B | 0.0000 | |
| 142 | N | B | -3.6732 | |
| 143 | K | B | -4.1935 | |
| 144 | N | B | -3.6284 | |
| 145 | K | B | -3.6086 | |
| 146 | C | B | -3.1114 | |
| 147 | D | B | -2.9341 | |
| 148 | I | B | 0.0000 | |
| 149 | P | B | -1.2413 | mutated: DP149B |
| 150 | D | B | -1.3405 | |
| 151 | L | B | -1.0334 | |
| 152 | K | B | -0.7115 | |
| 153 | M | B | 0.0000 | |
| 154 | A | B | 0.0000 | |
| 155 | V | B | -0.1118 | |
| 156 | S | B | 0.0000 | |
| 157 | F | B | 0.0000 | |
| 158 | S | B | -0.1538 | |
| 159 | Q | B | 0.0000 | |
| 160 | F | B | 0.0000 | |
| 161 | N | B | 0.0000 | |
| 162 | R | B | -0.6758 | |
| 163 | R | B | -0.7217 | |
| 164 | F | B | 0.0000 | |
| 165 | L | B | -0.3992 | |
| 166 | N | B | -0.6471 | |
| 167 | V | B | 0.0000 | |
| 168 | V | B | 0.0000 | |
| 169 | R | B | -0.6793 | |
| 170 | Q | B | -0.5664 | |
| 171 | F | B | 0.0000 | |
| 172 | S | B | 0.0000 | |
| 173 | D | B | -0.7914 | |
| 174 | N | B | -0.6109 | |
| 175 | A | B | 0.0000 | |
| 176 | G | B | 0.0000 | |
| 177 | I | B | 0.2255 | |
| 178 | T | B | 0.0000 | |
| 179 | P | B | -0.1039 | |
| 180 | A | B | -0.2071 | |
| 181 | I | B | 0.0000 | |
| 182 | S | B | -0.2556 | |
| 183 | L | B | 0.0000 | |
| 184 | D | B | -0.4823 | |
| 185 | L | B | 0.0000 | |
| 186 | M | B | 0.0000 | |
| 187 | T | B | -0.3018 | |
| 188 | D | B | -0.7457 | |
| 189 | A | B | -0.3026 | |
| 190 | E | B | 0.0000 | |
| 191 | L | B | 0.0000 | |
| 192 | A | B | -0.5604 | |
| 193 | R | B | -0.8862 | |
| 194 | A | B | 0.0000 | |
| 195 | V | B | 0.0000 | |
| 196 | S | B | -0.8773 | |
| 197 | N | B | -0.8614 | |
| 198 | M | B | 0.0000 | |
| 199 | P | B | -0.4870 | |
| 200 | T | B | -0.5847 | |
| 201 | S | B | -0.4698 | |
| 202 | A | B | -0.5461 | |
| 203 | G | B | -0.7151 | |
| 204 | Q | B | -0.6447 | |
| 205 | I | B | -0.9110 | |
| 206 | K | B | -1.7723 | |
| 207 | L | B | -0.8229 | |
| 208 | M | B | 0.0000 | |
| 209 | L | B | -0.7506 | |
| 210 | E | B | -2.0280 | |
| 211 | N | B | -0.9570 | |
| 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 | -0.6432 | |
| 218 | K | B | -0.3915 | |
| 219 | G | B | 0.0000 | |
| 220 | F | B | 0.5692 | |
| 221 | G | B | 0.0000 | |
| 222 | I | B | 0.0000 | |
| 223 | L | B | 0.0000 | |
| 224 | I | B | 0.0000 | |
| 225 | G | B | -0.3339 | |
| 226 | V | B | -0.0554 | |
| 227 | Y | B | 0.8498 | |
| 228 | G | B | -0.2428 | |
| 229 | S | B | -0.5276 | |
| 230 | S | B | -0.1398 | |
| 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 | 0.0571 | |
| 242 | V | B | 0.2868 | |
| 243 | I | B | 0.4706 | |
| 244 | D | B | 0.0694 | |
| 245 | T | B | -0.0502 | |
| 246 | P | B | -0.0022 | |
| 247 | C | B | 0.0000 | |
| 248 | W | B | -0.1999 | |
| 249 | I | B | 0.0000 | |
| 250 | V | B | -0.3373 | |
| 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 | -0.4448 | |
| 257 | S | B | 0.0000 | |
| 258 | E | B | -2.8456 | |
| 259 | K | B | -3.4591 | |
| 260 | K | B | -2.8532 | |
| 261 | G | B | -2.0006 | |
| 262 | N | B | -2.6294 | |
| 263 | Y | B | 0.0000 | |
| 264 | A | B | 0.0000 | |
| 265 | C | B | 0.0000 | |
| 266 | L | B | 0.0000 | |
| 267 | L | B | -0.0570 | |
| 268 | R | B | 0.0000 | |
| 269 | E | B | 0.0000 | |
| 270 | D | B | -2.1280 | |
| 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 | -0.6758 | |
| 277 | N | B | -0.7247 | |
| 278 | A | B | -0.5994 | |
| 279 | G | B | -0.7443 | |
| 280 | S | B | 0.0000 | |
| 281 | T | B | 0.0000 | |
| 282 | V | B | 0.0000 | |
| 283 | Y | B | 0.0000 | |
| 284 | Y | B | 0.0000 | |
| 285 | P | B | -1.3567 | |
| 286 | N | B | -2.2407 | |
| 287 | E | B | -2.3551 | |
| 288 | K | B | -2.4561 | |
| 289 | D | B | -1.5882 | |
| 290 | C | B | 0.0000 | |
| 291 | E | B | -0.9064 | |
| 292 | T | B | 0.0000 | |
| 293 | R | B | -1.5870 | |
| 294 | G | B | -1.5173 | |
| 295 | D | B | -2.2049 | |
| 296 | H | B | -1.1367 | |
| 297 | V | B | 0.0000 | |
| 298 | F | B | 0.0000 | |
| 299 | C | B | 0.0000 | |
| 300 | D | B | -0.7507 | |
| 301 | T | B | 0.0000 | |
| 302 | A | B | 0.1034 | |
| 303 | A | B | -0.5617 | |
| 304 | G | B | 0.0000 | |
| 305 | I | B | 0.3514 | |
| 306 | N | B | 0.0000 | |
| 307 | V | B | 0.0625 | |
| 308 | A | B | -0.5385 | |
| 309 | E | B | -1.3881 | |
| 310 | Q | B | -1.4818 | |
| 311 | S | B | -1.3116 | |
| 312 | K | B | -1.9290 | |
| 313 | E | B | -2.1718 | |
| 314 | C | B | 0.0000 | |
| 315 | N | B | -0.8493 | |
| 316 | I | B | 0.2414 | |
| 317 | N | B | 0.0000 | |
| 318 | I | B | 1.1849 | |
| 319 | S | B | 0.2252 | |
| 320 | T | B | -0.2616 | |
| 321 | T | B | 0.0235 | |
| 322 | N | B | -0.7459 | |
| 323 | Y | B | -0.1889 | |
| 324 | P | B | 0.0000 | |
| 325 | C | B | -0.2735 | |
| 326 | K | B | -0.2632 | |
| 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 | -0.0823 | |
| 333 | P | B | 0.0000 | |
| 334 | I | B | 0.4916 | |
| 335 | S | B | 0.0000 | |
| 336 | M | B | 0.5615 | |
| 337 | V | B | 0.0000 | |
| 338 | A | B | 0.0000 | |
| 339 | L | B | 0.0000 | |
| 340 | S | B | 0.0000 | |
| 341 | P | B | -0.3881 | |
| 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 | -1.3992 | |
| 350 | K | B | -2.5578 | |
| 351 | G | B | -1.8164 | |
| 352 | V | B | 0.0000 | |
| 353 | S | B | -1.3502 | |
| 354 | C | B | 0.0000 | |
| 355 | S | B | -0.4723 | |
| 356 | I | B | 0.0000 | |
| 357 | G | B | 0.1014 | |
| 358 | S | B | 0.0000 | |
| 359 | N | B | -1.0741 | |
| 360 | R | B | -1.9106 | |
| 361 | V | B | -0.0557 | |
| 362 | G | B | 0.0808 | |
| 363 | I | B | 1.3402 | |
| 364 | I | B | 1.6024 | |
| 365 | K | B | -0.2525 | |
| 366 | Q | B | -0.9692 | |
| 367 | L | B | -0.7596 | |
| 368 | N | B | -1.7260 | |
| 369 | K | B | -2.2725 | |
| 370 | G | B | -1.0059 | |
| 371 | C | B | 0.0684 | |
| 372 | S | B | 0.2953 | |
| 373 | Y | B | 0.8029 | |
| 374 | I | B | 0.0000 | |
| 375 | T | B | -0.4072 | |
| 376 | N | B | 0.0000 | |
| 377 | Q | B | -0.5612 | |
| 378 | D | B | -0.1839 | |
| 379 | A | B | 0.0000 | |
| 380 | D | B | 0.0000 | |
| 381 | T | B | 0.0276 | |
| 382 | V | B | 0.0000 | |
| 383 | T | B | -0.3156 | |
| 384 | I | B | -0.3952 | |
| 385 | D | B | -1.4426 | |
| 386 | N | B | -0.7172 | |
| 387 | T | B | 0.0000 | |
| 388 | V | B | 0.1796 | |
| 389 | Y | B | 0.0000 | |
| 390 | Q | B | -0.1419 | |
| 391 | L | B | 0.0000 | |
| 392 | S | B | 0.0000 | |
| 393 | K | B | -1.3912 | |
| 394 | V | B | -0.6797 | |
| 395 | E | B | -1.6950 | |
| 396 | G | B | -1.5514 | |
| 397 | E | B | -2.3599 | |
| 398 | Q | B | -1.6342 | |
| 399 | H | B | -1.1360 | |
| 400 | V | B | -0.1884 | |
| 401 | I | B | -0.3251 | |
| 402 | K | B | -1.8436 | |
| 403 | G | B | -1.8449 | |
| 404 | R | B | -2.5066 | |
| 405 | P | B | -1.5691 | |
| 406 | V | B | 0.0000 | |
| 407 | S | B | 0.0000 | |
| 408 | S | B | -1.2246 | |
| 409 | S | B | -0.7368 | |
| 410 | F | B | 0.0663 | |
| 411 | D | B | -1.7681 | |
| 412 | P | B | 0.0000 | |
| 413 | V | B | 0.3807 | |
| 414 | K | B | -0.3593 | |
| 415 | F | B | 0.0000 | |
| 416 | P | B | -0.4684 | |
| 417 | E | B | 0.0000 | |
| 418 | D | B | 0.0000 | |
| 419 | Q | B | 0.0000 | |
| 420 | F | B | 0.9558 | |
| 421 | N | B | -0.2555 | |
| 422 | V | B | 0.0000 | |
| 423 | A | B | -0.0729 | |
| 424 | L | B | -0.0499 | |
| 425 | P | B | -0.3363 | mutated: DP425B |
| 426 | Q | B | -0.4128 | |
| 427 | V | B | 0.0000 | |
| 428 | F | B | 0.2284 | |
| 429 | E | B | -1.8744 | |
| 430 | N | B | -1.0644 | |
| 431 | I | B | 0.0000 | |
| 432 | E | B | -1.7287 | |
| 433 | N | B | -1.5376 | |
| 434 | S | B | -1.0372 | |
| 435 | Q | B | -1.3986 | |
| 436 | A | B | -1.3129 | |
| 437 | W | B | -0.6784 | mutated: LW437B |
| 438 | V | B | -0.9510 | |
| 439 | D | B | -2.5421 | |
| 440 | K | B | -1.8122 | mutated: QK440B |
| 441 | F | B | -1.2041 | mutated: SF441B |
| 442 | N | B | -2.0864 | |
| 443 | R | B | -2.2755 | |
| 444 | I | B | 0.0000 | |
| 445 | L | B | -1.3286 | |
| 446 | S | B | -1.8366 | |
| 447 | S | B | 0.0000 | |
| 448 | A | B | -2.0291 | |
| 449 | E | B | -2.8984 | |
| 450 | K | B | -2.8723 | |
| 451 | G | B | -2.4428 | |
| 452 | N | B | -2.2952 | |
| 453 | T | B | 0.0000 | |
| 1 | L | C | -0.2395 | |
| 2 | K | C | -1.5693 | |
| 3 | E | C | 0.0000 | |
| 4 | S | C | -0.2469 | |
| 5 | Y | C | 0.0000 | |
| 6 | L | C | 0.0000 | |
| 7 | E | C | -1.8351 | |
| 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 | -1.0845 | |
| 16 | G | C | -0.8074 | |
| 17 | Y | C | -0.6531 | |
| 18 | L | C | -0.5844 | |
| 19 | S | C | 0.0000 | |
| 20 | V | C | 0.0000 | |
| 21 | L | C | 0.0000 | |
| 22 | R | C | 0.0000 | |
| 23 | T | C | 0.3350 | |
| 24 | G | C | 0.1947 | |
| 25 | W | C | 0.0000 | |
| 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 | -0.9776 | |
| 34 | V | C | -1.2736 | |
| 35 | G | C | -2.2814 | |
| 36 | D | C | -3.1053 | |
| 37 | V | C | 0.0000 | |
| 38 | E | C | -3.7448 | |
| 39 | N | C | -3.0624 | |
| 40 | L | C | 0.0000 | |
| 41 | T | C | -2.9357 | |
| 42 | C | C | 0.0000 | |
| 43 | A | C | -2.3681 | |
| 44 | D | C | -2.8592 | |
| 45 | G | C | -2.0861 | |
| 46 | P | C | -1.4789 | |
| 47 | S | C | -0.9174 | |
| 48 | L | C | 0.0000 | |
| 49 | I | C | 0.0000 | |
| 50 | K | C | -2.0078 | |
| 51 | T | C | -1.3307 | |
| 52 | E | C | -0.9936 | |
| 53 | L | C | 0.0000 | |
| 54 | D | C | -2.2157 | |
| 55 | L | C | -0.9766 | |
| 56 | T | C | 0.0000 | |
| 57 | K | C | -2.3497 | |
| 58 | S | C | -1.5088 | |
| 59 | A | C | 0.0000 | |
| 60 | L | C | -1.1532 | |
| 61 | R | C | -1.7703 | |
| 62 | E | C | -1.5156 | |
| 63 | L | C | 0.0000 | |
| 64 | K | C | -1.7990 | |
| 65 | T | C | -1.1981 | |
| 66 | V | C | 0.0000 | |
| 67 | S | C | -0.7541 | |
| 68 | A | C | 0.0000 | |
| 69 | D | C | -1.6581 | |
| 70 | Q | C | 0.0000 | |
| 71 | L | C | 0.0000 | |
| 72 | G | C | -0.7987 | |
| 73 | G | C | -0.8876 | |
| 74 | G | C | -0.4373 | |
| 75 | G | C | 0.0000 | |
| 76 | S | C | 0.0000 | |
| 77 | A | C | -0.0144 | |
| 78 | T | C | -0.3828 | |
| 79 | A | C | -0.2913 | |
| 80 | A | C | 0.0000 | |
| 81 | A | C | 0.0803 | |
| 82 | V | C | 0.0000 | |
| 83 | T | C | -0.1139 | |
| 84 | A | C | 0.0000 | |
| 85 | G | C | 0.0000 | |
| 86 | V | C | -0.2339 | |
| 87 | A | C | -0.3771 | |
| 88 | I | C | 0.0000 | |
| 89 | A | C | 0.0000 | |
| 90 | K | C | -1.1204 | |
| 91 | C | C | -0.4668 | mutated: TC91C |
| 92 | I | C | 0.0000 | |
| 93 | R | C | -1.5076 | |
| 94 | L | C | 0.0518 | |
| 95 | P | C | -0.3943 | mutated: EP95C |
| 96 | S | C | -0.3390 | |
| 97 | E | C | -0.7388 | |
| 98 | V | C | 0.0000 | |
| 99 | T | C | -0.7515 | |
| 100 | A | C | -1.0259 | |
| 101 | I | C | 0.0000 | |
| 102 | K | C | -1.7904 | |
| 103 | N | C | -2.4794 | |
| 104 | A | C | -2.0500 | |
| 105 | L | C | 0.0000 | |
| 106 | K | C | -3.4129 | |
| 107 | K | C | -3.2805 | |
| 108 | T | C | -2.4155 | |
| 109 | N | C | -2.5272 | |
| 110 | E | C | -1.5447 | |
| 111 | A | C | -0.1931 | |
| 112 | V | C | 1.1938 | |
| 113 | S | C | 0.3592 | |
| 114 | T | C | -0.2047 | |
| 115 | L | C | 0.0000 | |
| 116 | G | C | -0.3867 | |
| 117 | C | C | -0.2663 | mutated: NC117C |
| 118 | G | C | -0.4060 | |
| 119 | V | C | 0.0000 | |
| 120 | R | C | -0.8523 | |
| 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 | -0.6850 | |
| 127 | P | C | -1.4834 | mutated: RP127C |
| 128 | E | C | -1.6917 | |
| 129 | L | C | 0.0000 | |
| 130 | K | C | -3.0790 | |
| 131 | D | C | -3.0385 | |
| 132 | F | C | 0.0000 | |
| 133 | V | C | -2.6605 | |
| 134 | S | C | -2.4133 | |
| 135 | K | C | -2.8342 | |
| 136 | N | C | -2.3192 | |
| 137 | L | C | 0.0000 | |
| 138 | T | C | -2.7582 | |
| 139 | R | C | -3.3142 | |
| 140 | A | C | -2.9528 | |
| 141 | I | C | 0.0000 | |
| 142 | N | C | -3.7166 | |
| 143 | K | C | -3.7519 | |
| 144 | N | C | -3.9382 | |
| 145 | K | C | -3.6816 | |
| 146 | C | C | -3.2627 | |
| 147 | D | C | -3.4443 | |
| 148 | I | C | 0.0000 | |
| 149 | P | C | -1.9893 | mutated: DP149C |
| 150 | D | C | -2.8994 | |
| 151 | L | C | 0.0000 | |
| 152 | K | C | -2.0687 | |
| 153 | M | C | 0.0000 | |
| 154 | A | C | 0.0000 | |
| 155 | V | C | -0.4713 | |
| 156 | S | C | 0.0000 | |
| 157 | F | C | 0.0000 | |
| 158 | S | C | -0.2886 | |
| 159 | Q | C | 0.0000 | |
| 160 | F | C | 0.0000 | |
| 161 | N | C | 0.0000 | |
| 162 | R | C | -0.7106 | |
| 163 | R | C | -0.8938 | |
| 164 | F | C | 0.0000 | |
| 165 | L | C | -0.4613 | |
| 166 | N | C | -0.8045 | |
| 167 | V | C | 0.0000 | |
| 168 | V | C | 0.0000 | |
| 169 | R | C | -1.1493 | |
| 170 | Q | C | 0.0000 | |
| 171 | F | C | 0.0000 | |
| 172 | S | C | 0.0000 | |
| 173 | D | C | -1.1857 | |
| 174 | N | C | -0.7810 | |
| 175 | A | C | 0.0000 | |
| 176 | G | C | 0.0000 | |
| 177 | I | C | 0.1883 | |
| 178 | T | C | 0.0000 | |
| 179 | P | C | -0.2600 | |
| 180 | A | C | 0.0000 | |
| 181 | I | C | 0.0000 | |
| 182 | S | C | 0.0000 | |
| 183 | L | C | 0.0000 | |
| 184 | D | C | -0.4146 | |
| 185 | L | C | -0.1044 | |
| 186 | M | C | 0.0000 | |
| 187 | T | C | -0.4411 | |
| 188 | D | C | 0.0000 | |
| 189 | A | C | -0.7240 | |
| 190 | E | C | -1.2210 | |
| 191 | L | C | 0.0000 | |
| 192 | A | C | -1.3031 | |
| 193 | R | C | -2.3536 | |
| 194 | A | C | 0.0000 | |
| 195 | V | C | 0.0000 | |
| 196 | S | C | -1.6303 | |
| 197 | N | C | -1.5959 | |
| 198 | M | C | -1.0498 | |
| 199 | P | C | -0.4071 | |
| 200 | T | C | 0.0000 | |
| 201 | S | C | -0.2701 | |
| 202 | A | C | -0.4638 | |
| 203 | G | C | -0.8617 | |
| 204 | Q | C | -0.5145 | |
| 205 | I | C | -0.7265 | |
| 206 | K | C | -1.6919 | |
| 207 | L | C | -0.8558 | |
| 208 | M | C | 0.0000 | |
| 209 | L | C | -0.6913 | |
| 210 | E | C | -1.3037 | |
| 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 | -0.7472 | |
| 218 | K | C | -0.6145 | |
| 219 | G | C | 0.0000 | |
| 220 | F | C | 0.3150 | |
| 221 | G | C | 0.0000 | |
| 222 | I | C | 0.0000 | |
| 223 | L | C | 0.0000 | |
| 224 | I | C | 0.0000 | |
| 225 | G | C | -0.4553 | |
| 226 | V | C | 0.3923 | |
| 227 | Y | C | 0.1304 | |
| 228 | G | C | -0.1555 | |
| 229 | S | C | -0.2678 | |
| 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 | 0.7198 | |
| 242 | V | C | 1.2355 | |
| 243 | I | C | 0.1999 | |
| 244 | D | C | -1.2506 | |
| 245 | T | C | -0.5765 | |
| 246 | P | C | -0.8034 | |
| 247 | C | C | 0.0000 | |
| 248 | W | C | 0.0000 | |
| 249 | I | C | 0.0000 | |
| 250 | V | C | 0.0000 | |
| 251 | K | C | -0.4049 | |
| 252 | A | C | 0.0000 | |
| 253 | A | C | 0.0000 | |
| 254 | P | C | 0.0000 | |
| 255 | S | C | -0.3249 | |
| 256 | C | C | -0.8457 | |
| 257 | S | C | -2.0263 | |
| 258 | E | C | -3.7632 | |
| 259 | K | C | -4.0275 | |
| 260 | K | C | -3.5434 | |
| 261 | G | C | -2.7150 | |
| 262 | N | C | -3.2962 | |
| 263 | Y | C | -2.4261 | |
| 264 | A | C | 0.0000 | |
| 265 | C | C | 0.0000 | |
| 266 | L | C | 0.0000 | |
| 267 | L | C | 0.2976 | |
| 268 | R | C | 0.0000 | |
| 269 | E | C | -0.7825 | |
| 270 | D | C | 0.0000 | |
| 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 | -1.1229 | |
| 277 | N | C | -0.6277 | |
| 278 | A | C | -0.5079 | |
| 279 | G | C | -0.8521 | |
| 280 | S | C | -0.7083 | |
| 281 | T | C | 0.0000 | |
| 282 | V | C | 0.0000 | |
| 283 | Y | C | 0.0000 | |
| 284 | Y | C | -0.5465 | |
| 285 | P | C | -1.0978 | |
| 286 | N | C | -2.0878 | |
| 287 | E | C | -2.0763 | |
| 288 | K | C | -2.4865 | |
| 289 | D | C | 0.0000 | |
| 290 | C | C | 0.0000 | |
| 291 | E | C | -1.2906 | |
| 292 | T | C | -1.0880 | |
| 293 | R | C | 0.0000 | |
| 294 | G | C | -1.5637 | |
| 295 | D | C | -1.7343 | |
| 296 | H | C | -1.2111 | |
| 297 | V | C | 0.0000 | |
| 298 | F | C | 0.0000 | |
| 299 | C | C | 0.0000 | |
| 300 | D | C | -0.6666 | |
| 301 | T | C | 0.0000 | |
| 302 | A | C | -0.0576 | |
| 303 | A | C | -0.0118 | |
| 304 | G | C | -0.0176 | |
| 305 | I | C | 0.4605 | |
| 306 | N | C | 0.0000 | |
| 307 | V | C | 0.0000 | |
| 308 | A | C | -0.7583 | |
| 309 | E | C | -1.7778 | |
| 310 | Q | C | -1.8804 | |
| 311 | S | C | 0.0000 | |
| 312 | K | C | -1.6830 | |
| 313 | E | C | -2.4188 | |
| 314 | C | C | 0.0000 | |
| 315 | N | C | 0.0000 | |
| 316 | I | C | 0.4353 | |
| 317 | N | C | -0.7083 | |
| 318 | I | C | 0.0000 | |
| 319 | S | C | -0.6345 | |
| 320 | T | C | -0.6969 | |
| 321 | T | C | -1.1453 | |
| 322 | N | C | -1.6422 | |
| 323 | Y | C | 0.0000 | |
| 324 | P | C | -1.0493 | |
| 325 | C | C | 0.0000 | |
| 326 | K | C | -0.4983 | |
| 327 | V | C | 0.0000 | |
| 328 | S | C | -0.0088 | |
| 329 | T | C | 0.0216 | |
| 330 | G | C | -0.2550 | |
| 331 | R | C | -0.9218 | |
| 332 | H | C | -0.7279 | |
| 333 | P | C | -0.2727 | |
| 334 | I | C | 0.5743 | |
| 335 | S | C | 0.0000 | |
| 336 | M | C | 0.7206 | |
| 337 | V | C | 0.5726 | |
| 338 | A | C | 0.0000 | |
| 339 | L | C | 0.3302 | |
| 340 | S | C | 0.0000 | |
| 341 | P | C | 0.0000 | |
| 342 | L | C | 0.0000 | |
| 343 | G | C | 0.0000 | |
| 344 | A | C | 0.0000 | |
| 345 | L | C | 0.0000 | |
| 346 | V | C | 0.0000 | |
| 347 | A | C | 0.0000 | |
| 348 | C | C | 0.0000 | |
| 349 | Y | C | -1.0588 | |
| 350 | K | C | -2.3209 | |
| 351 | G | C | -1.3695 | |
| 352 | V | C | -0.8211 | |
| 353 | S | C | -1.5069 | |
| 354 | C | C | 0.0000 | |
| 355 | S | C | -0.3199 | |
| 356 | I | C | 0.0000 | |
| 357 | G | C | 0.0000 | |
| 358 | S | C | -0.2549 | |
| 359 | N | C | -0.5072 | |
| 360 | R | C | -0.8762 | |
| 361 | V | C | 1.3652 | |
| 362 | G | C | 1.2626 | |
| 363 | I | C | 2.1913 | |
| 364 | I | C | 1.8789 | |
| 365 | K | C | -0.4373 | |
| 366 | Q | C | -1.3104 | |
| 367 | L | C | -1.4484 | |
| 368 | N | C | -2.2428 | |
| 369 | K | C | -1.3723 | |
| 370 | G | C | -1.1770 | |
| 371 | C | C | 0.0000 | |
| 372 | S | C | 0.0000 | |
| 373 | Y | C | 0.2635 | |
| 374 | I | C | 0.0000 | |
| 375 | T | C | -0.6266 | |
| 376 | N | C | -1.0578 | |
| 377 | Q | C | -1.4107 | |
| 378 | D | C | -0.9820 | |
| 379 | A | C | 0.0000 | |
| 380 | D | C | -0.9905 | |
| 381 | T | C | -0.3022 | |
| 382 | V | C | 0.0000 | |
| 383 | T | C | -0.2335 | |
| 384 | I | C | 0.0000 | |
| 385 | D | C | -1.4167 | |
| 386 | N | C | -0.7215 | |
| 387 | T | C | 0.0000 | |
| 388 | V | C | -0.0683 | |
| 389 | Y | C | 0.0000 | |
| 390 | Q | C | -0.1970 | |
| 391 | L | C | 0.0000 | |
| 392 | S | C | -0.3785 | |
| 393 | K | C | 0.0000 | |
| 394 | V | C | 0.8713 | |
| 395 | E | C | 0.1097 | |
| 396 | G | C | -0.6593 | |
| 397 | E | C | -1.9559 | |
| 398 | Q | C | -1.2025 | |
| 399 | H | C | -0.2549 | |
| 400 | V | C | 1.2189 | |
| 401 | I | C | -0.0052 | |
| 402 | K | C | -2.1606 | |
| 403 | G | C | -2.3831 | |
| 404 | R | C | -2.9587 | |
| 405 | P | C | -1.8172 | |
| 406 | V | C | 0.0000 | |
| 407 | S | C | 0.0000 | |
| 408 | S | C | -1.3935 | |
| 409 | S | C | -0.8415 | |
| 410 | F | C | -0.1885 | |
| 411 | D | C | -1.5077 | |
| 412 | P | C | -0.0363 | |
| 413 | V | C | 0.0000 | |
| 414 | K | C | 0.0000 | |
| 415 | F | C | 1.3595 | |
| 416 | P | C | 0.1281 | |
| 417 | E | C | 0.0267 | |
| 418 | D | C | 0.2465 | |
| 419 | Q | C | 0.0000 | |
| 420 | F | C | 0.9665 | |
| 421 | N | C | 0.0000 | |
| 422 | V | C | 0.0000 | |
| 423 | A | C | -0.2740 | |
| 424 | L | C | 0.0000 | |
| 425 | P | C | -0.2101 | mutated: DP425C |
| 426 | Q | C | -0.3560 | |
| 427 | V | C | 0.0000 | |
| 428 | F | C | 0.5501 | |
| 429 | E | C | -1.2301 | |
| 430 | N | C | 0.0000 | |
| 431 | I | C | -0.3275 | |
| 432 | E | C | -1.7973 | |
| 433 | N | C | -1.6138 | |
| 434 | S | C | -1.0662 | |
| 435 | Q | C | -1.8396 | |
| 436 | A | C | -1.4940 | |
| 437 | W | C | -0.6845 | mutated: LW437C |
| 438 | V | C | -1.1181 | |
| 439 | D | C | -2.6480 | |
| 440 | K | C | -1.8068 | mutated: QK440C |
| 441 | F | C | -1.4014 | mutated: SF441C |
| 442 | N | C | -2.4504 | |
| 443 | R | C | -2.9859 | |
| 444 | I | C | 0.0000 | |
| 445 | L | C | -1.6629 | |
| 446 | S | C | -2.0897 | |
| 447 | S | C | 0.0000 | |
| 448 | A | C | -2.0955 | |
| 449 | E | C | -3.1426 | |
| 450 | K | C | -2.9804 | |
| 451 | G | C | 0.0000 | |
| 452 | N | C | -2.2784 | |
| 453 | T | C | -1.3648 |
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, -0.6187 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_7 | -0.6187 | View | CSV | PDB |
| model_3 | -0.6206 | View | CSV | PDB |
| model_6 | -0.623 | View | CSV | PDB |
| model_1 | -0.6312 | View | CSV | PDB |
| model_11 | -0.6346 | View | CSV | PDB |
| model_4 | -0.6386 | View | CSV | PDB |
| model_5 | -0.6421 | View | CSV | PDB |
| CABS_average | -0.6447 | View | CSV | PDB |
| input | -0.6579 | View | CSV | PDB |
| model_8 | -0.6584 | View | CSV | PDB |
| model_0 | -0.659 | View | CSV | PDB |
| model_9 | -0.6591 | View | CSV | PDB |
| model_2 | -0.6632 | View | CSV | PDB |
| model_10 | -0.6875 | 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