Project name: MPV_185P_sd [mutate: DP149A, DP149C, DP149B]
Status: done
Started: 2025-12-11 16:47:47
| 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 | DP149C,DP149A,DP149B |
| Energy difference between WT (input) and mutated protein (by FoldX) | -1.01937 kcal/mol |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] FoldX: Building mutant model (00:36:16)
[INFO] CABS: Running CABS flex simulation (00:36:43)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (09:37:44)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (09:38:14)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (09:38:44)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (09:39:14)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (09:39:44)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (09:40:14)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (09:40:44)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (09:41:17)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (09:41:47)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (09:42:17)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (09:42:45)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (09:43:16)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (09:43:47)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (09:44:48)
[INFO] Main: Simulation completed successfully. (09:45:16)
|
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
- -4.2031
- Maximal score value
- 2.7655
- Average score
- -0.6149
- Total score value
- -835.6421
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 | -0.9273 | |
| 2 | K | A | -1.6377 | |
| 3 | E | A | 0.0000 | |
| 4 | S | A | -0.1706 | |
| 5 | Y | A | 0.0000 | |
| 6 | L | A | 0.0000 | |
| 7 | E | A | -1.2088 | |
| 8 | E | A | -1.2005 | |
| 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 | -0.5674 | |
| 16 | G | A | -0.9807 | |
| 17 | Y | A | 0.0000 | |
| 18 | L | A | -0.9978 | |
| 19 | S | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | R | A | 0.0000 | |
| 23 | T | A | 0.1205 | |
| 24 | G | A | 0.1508 | |
| 25 | W | A | 0.0000 | |
| 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 | -0.1177 | |
| 32 | L | A | 0.0000 | |
| 33 | E | A | -0.6627 | |
| 34 | V | A | -0.8409 | |
| 35 | G | A | -1.4852 | |
| 36 | D | A | -2.1653 | |
| 37 | V | A | 0.0000 | |
| 38 | E | A | -1.8005 | |
| 39 | N | A | -2.2350 | |
| 40 | L | A | 0.0000 | |
| 41 | T | A | -2.7435 | |
| 42 | C | A | 0.0000 | |
| 43 | A | A | -1.8986 | |
| 44 | D | A | -3.0963 | |
| 45 | G | A | -2.4710 | |
| 46 | P | A | -1.5717 | |
| 47 | S | A | -0.8547 | |
| 48 | L | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | K | A | -1.5000 | |
| 51 | T | A | -0.6969 | |
| 52 | E | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | D | A | -1.2588 | |
| 55 | L | A | 0.0000 | |
| 56 | T | A | 0.0000 | |
| 57 | K | A | -1.8942 | |
| 58 | S | A | -1.4591 | |
| 59 | A | A | 0.0000 | |
| 60 | L | A | -1.2826 | |
| 61 | R | A | -2.1471 | |
| 62 | E | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -1.9024 | |
| 65 | T | A | -1.5743 | |
| 66 | V | A | 0.0000 | |
| 67 | S | A | -0.9643 | |
| 68 | A | A | 0.0000 | |
| 69 | D | A | -2.2514 | |
| 70 | Q | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | -0.4472 | |
| 73 | G | A | -0.1492 | |
| 74 | G | A | -0.2559 | |
| 75 | G | A | 0.0000 | |
| 76 | S | A | -1.0642 | |
| 77 | A | A | -0.3955 | |
| 78 | T | A | 0.0403 | |
| 79 | A | A | -0.0106 | |
| 80 | A | A | 0.0000 | |
| 81 | A | A | 0.0000 | |
| 82 | V | A | 0.7466 | |
| 83 | T | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | G | A | 0.0000 | |
| 86 | V | A | 0.0131 | |
| 87 | A | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | K | A | -1.9758 | |
| 91 | T | A | -0.8470 | |
| 92 | I | A | 0.0000 | |
| 93 | R | A | -1.3490 | |
| 94 | L | A | -0.3147 | |
| 95 | E | A | -1.5780 | |
| 96 | S | A | -0.8022 | |
| 97 | E | A | -0.6045 | |
| 98 | V | A | -0.4525 | |
| 99 | T | A | -0.8471 | |
| 100 | A | A | -0.8245 | |
| 101 | I | A | 0.0000 | |
| 102 | K | A | -1.4842 | |
| 103 | N | A | -2.1209 | |
| 104 | A | A | -1.8574 | |
| 105 | L | A | 0.0000 | |
| 106 | K | A | -2.8725 | |
| 107 | K | A | -3.0777 | |
| 108 | T | A | -2.3381 | |
| 109 | N | A | -2.6929 | |
| 110 | E | A | -2.3482 | |
| 111 | A | A | 0.0000 | |
| 112 | V | A | 0.9807 | |
| 113 | S | A | 0.4180 | |
| 114 | T | A | -0.2139 | |
| 115 | L | A | -0.4570 | |
| 116 | G | A | -0.9916 | |
| 117 | N | A | -1.0089 | |
| 118 | G | A | -0.7284 | |
| 119 | V | A | 0.0000 | |
| 120 | R | A | -0.6861 | |
| 121 | V | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | A | A | 0.0000 | |
| 124 | T | A | 0.0000 | |
| 125 | A | A | -1.4617 | |
| 126 | V | A | -1.0027 | |
| 127 | R | A | -1.8207 | |
| 128 | E | A | -2.1792 | |
| 129 | L | A | 0.0000 | |
| 130 | K | A | -2.9557 | |
| 131 | D | A | -3.2095 | |
| 132 | F | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | S | A | -2.0007 | |
| 135 | K | A | -2.2285 | |
| 136 | N | A | -1.7438 | |
| 137 | L | A | 0.0000 | |
| 138 | T | A | -2.1435 | |
| 139 | R | A | -2.8076 | |
| 140 | A | A | -2.3018 | |
| 141 | I | A | 0.0000 | |
| 142 | N | A | -3.7076 | |
| 143 | K | A | -4.2031 | |
| 144 | N | A | -4.0028 | |
| 145 | K | A | -3.9080 | |
| 146 | C | A | 0.0000 | |
| 147 | D | A | -2.9895 | |
| 148 | I | A | 0.0000 | |
| 149 | P | A | -1.2758 | mutated: DP149A |
| 150 | D | A | -1.7760 | |
| 151 | L | A | -1.0729 | |
| 152 | K | A | -0.8860 | |
| 153 | M | A | 0.0000 | |
| 154 | A | A | 0.0000 | |
| 155 | V | A | 0.0000 | |
| 156 | S | A | 0.0000 | |
| 157 | F | A | 0.0000 | |
| 158 | S | A | 0.0000 | |
| 159 | Q | A | -0.2809 | |
| 160 | F | A | -0.6065 | |
| 161 | N | A | 0.0000 | |
| 162 | R | A | -0.4033 | |
| 163 | R | A | -0.5805 | |
| 164 | F | A | 0.0000 | |
| 165 | L | A | -0.2924 | |
| 166 | N | A | -0.4968 | |
| 167 | V | A | 0.0000 | |
| 168 | V | A | 0.0000 | |
| 169 | R | A | -0.6623 | |
| 170 | Q | A | -0.5734 | |
| 171 | F | A | 0.0000 | |
| 172 | S | A | 0.0000 | |
| 173 | D | A | -1.0319 | |
| 174 | N | A | -0.6998 | |
| 175 | A | A | 0.0000 | |
| 176 | G | A | 0.0000 | |
| 177 | I | A | 0.4585 | |
| 178 | T | A | 0.0000 | |
| 179 | P | A | -0.2728 | |
| 180 | A | A | -0.4519 | |
| 181 | I | A | 0.0000 | |
| 182 | S | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | D | A | -0.6189 | |
| 185 | L | A | 0.0000 | |
| 186 | M | A | 0.0000 | |
| 187 | T | A | -0.5018 | |
| 188 | D | A | -0.7478 | |
| 189 | A | A | -0.2562 | |
| 190 | E | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | A | A | -0.3179 | |
| 193 | R | A | -0.7417 | |
| 194 | A | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | S | A | -0.6369 | |
| 197 | N | A | -0.4917 | |
| 198 | M | A | 0.0000 | |
| 199 | P | A | -0.3681 | |
| 200 | T | A | -0.3505 | |
| 201 | S | A | -0.6253 | |
| 202 | A | A | -0.6652 | |
| 203 | G | A | -0.8918 | |
| 204 | Q | A | 0.0000 | |
| 205 | I | A | -1.0228 | |
| 206 | K | A | -2.0427 | |
| 207 | L | A | -1.1522 | |
| 208 | M | A | 0.0000 | |
| 209 | L | A | -1.1586 | |
| 210 | E | A | -2.2155 | |
| 211 | N | A | -1.5620 | |
| 212 | R | A | -1.2251 | |
| 213 | A | A | -1.0718 | |
| 214 | M | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | R | A | 0.0000 | |
| 217 | R | A | -0.9211 | |
| 218 | K | A | -0.5171 | |
| 219 | G | A | 0.0000 | |
| 220 | F | A | 0.4999 | |
| 221 | G | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | L | A | 0.0000 | |
| 224 | I | A | 0.0000 | |
| 225 | G | A | -0.3477 | |
| 226 | V | A | 0.3435 | |
| 227 | Y | A | 0.9934 | |
| 228 | G | A | 0.0482 | |
| 229 | S | A | -0.0644 | |
| 230 | S | A | 0.3199 | |
| 231 | V | A | 0.0000 | |
| 232 | I | A | 0.4839 | |
| 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 | -0.1195 | |
| 239 | I | A | 0.0000 | |
| 240 | F | A | 0.0000 | |
| 241 | G | A | -0.2138 | |
| 242 | V | A | 0.0854 | |
| 243 | I | A | -0.3499 | |
| 244 | D | A | -1.6129 | |
| 245 | T | A | 0.0000 | |
| 246 | P | A | -0.6171 | |
| 247 | C | A | 0.0000 | |
| 248 | W | A | -0.1395 | |
| 249 | I | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | K | A | 0.0000 | |
| 252 | A | A | 0.0000 | |
| 253 | A | A | 0.0000 | |
| 254 | P | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | C | A | -0.5867 | |
| 257 | S | A | -1.3395 | |
| 258 | E | A | 0.0000 | |
| 259 | K | A | -3.1304 | |
| 260 | K | A | -2.8536 | |
| 261 | G | A | -1.6423 | |
| 262 | N | A | -1.9564 | |
| 263 | Y | A | -1.5111 | |
| 264 | A | A | 0.0000 | |
| 265 | C | A | 0.0000 | |
| 266 | L | A | 0.1862 | |
| 267 | L | A | 0.0000 | |
| 268 | R | A | 0.0000 | |
| 269 | E | A | -1.6152 | |
| 270 | D | A | -2.5322 | |
| 271 | Q | A | -1.6146 | |
| 272 | G | A | 0.0000 | |
| 273 | W | A | 0.0000 | |
| 274 | Y | A | 0.0000 | |
| 275 | C | A | 0.0000 | |
| 276 | Q | A | -0.8660 | |
| 277 | N | A | 0.0000 | |
| 278 | A | A | -0.5426 | |
| 279 | G | A | -0.7908 | |
| 280 | S | A | -0.9300 | |
| 281 | T | A | 0.0000 | |
| 282 | V | A | 0.0000 | |
| 283 | Y | A | 0.0000 | |
| 284 | Y | A | 0.0000 | |
| 285 | P | A | -1.6724 | |
| 286 | N | A | -2.5696 | |
| 287 | E | A | 0.0000 | |
| 288 | K | A | -2.4602 | |
| 289 | D | A | -1.7946 | |
| 290 | C | A | 0.0000 | |
| 291 | E | A | -1.1279 | |
| 292 | T | A | 0.0000 | |
| 293 | R | A | 0.0000 | |
| 294 | G | A | -1.2761 | |
| 295 | D | A | -1.9759 | |
| 296 | H | A | -1.3105 | |
| 297 | V | A | 0.0000 | |
| 298 | F | A | -0.4237 | |
| 299 | C | A | 0.0000 | |
| 300 | D | A | -0.5637 | |
| 301 | T | A | 0.0000 | |
| 302 | A | A | -0.0119 | |
| 303 | A | A | 0.0379 | |
| 304 | G | A | -0.1830 | |
| 305 | I | A | 0.5829 | |
| 306 | N | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | A | A | -0.9640 | |
| 309 | E | A | -2.3055 | |
| 310 | Q | A | 0.0000 | |
| 311 | S | A | 0.0000 | |
| 312 | K | A | -2.1300 | |
| 313 | E | A | -1.1749 | |
| 314 | C | A | 0.0000 | |
| 315 | N | A | -0.4114 | |
| 316 | I | A | -0.1607 | |
| 317 | N | A | -0.4401 | |
| 318 | I | A | 0.3186 | |
| 319 | S | A | -0.1488 | |
| 320 | T | A | -0.1736 | |
| 321 | T | A | -0.6499 | |
| 322 | N | A | -1.4405 | |
| 323 | Y | A | -0.7513 | |
| 324 | P | A | -0.4305 | |
| 325 | C | A | 0.0000 | |
| 326 | K | A | -0.6178 | |
| 327 | V | A | 0.0000 | |
| 328 | S | A | -0.1512 | |
| 329 | T | A | 0.0000 | |
| 330 | G | A | 0.0000 | |
| 331 | R | A | 0.0000 | |
| 332 | H | A | -0.7251 | |
| 333 | P | A | -0.6903 | |
| 334 | I | A | 0.0000 | |
| 335 | S | A | 0.0000 | |
| 336 | M | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | A | A | 0.0000 | |
| 339 | L | A | 0.0000 | |
| 340 | S | A | 0.0000 | |
| 341 | P | A | 0.0000 | |
| 342 | L | A | 0.0000 | |
| 343 | G | A | 0.0000 | |
| 344 | A | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | V | A | 0.0000 | |
| 347 | A | A | 0.0000 | |
| 348 | C | A | 0.0000 | |
| 349 | Y | A | -1.5140 | |
| 350 | K | A | -2.6451 | |
| 351 | G | A | -1.7330 | |
| 352 | V | A | -0.8959 | |
| 353 | S | A | -1.3264 | |
| 354 | C | A | 0.0000 | |
| 355 | S | A | -1.0585 | |
| 356 | I | A | 0.0000 | |
| 357 | G | A | -0.0027 | |
| 358 | S | A | 0.0000 | |
| 359 | N | A | -0.8178 | |
| 360 | R | A | -1.4913 | |
| 361 | V | A | 0.7024 | |
| 362 | G | A | 0.8496 | |
| 363 | I | A | 2.3027 | |
| 364 | I | A | 1.8200 | |
| 365 | K | A | -0.9480 | |
| 366 | Q | A | -1.9385 | |
| 367 | L | A | -1.7532 | |
| 368 | N | A | -2.3559 | |
| 369 | K | A | -2.0440 | |
| 370 | G | A | -1.2760 | |
| 371 | C | A | -0.3544 | |
| 372 | S | A | 0.0000 | |
| 373 | Y | A | 0.8904 | |
| 374 | I | A | 0.5847 | |
| 375 | T | A | -0.4792 | |
| 376 | N | A | -1.3734 | |
| 377 | Q | A | -1.8886 | |
| 378 | D | A | -0.9043 | |
| 379 | A | A | 0.0000 | |
| 380 | D | A | -1.4347 | |
| 381 | T | A | -0.6108 | |
| 382 | V | A | 0.0000 | |
| 383 | T | A | -0.5931 | |
| 384 | I | A | 0.0000 | |
| 385 | D | A | -1.0275 | |
| 386 | N | A | -0.6821 | |
| 387 | T | A | 0.0000 | |
| 388 | V | A | -0.1242 | |
| 389 | Y | A | 0.0000 | |
| 390 | Q | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | S | A | 0.0000 | |
| 393 | K | A | -2.1324 | |
| 394 | V | A | 0.0000 | |
| 395 | E | A | -1.9069 | |
| 396 | G | A | -2.0236 | |
| 397 | E | A | -2.6315 | |
| 398 | Q | A | -1.2223 | |
| 399 | H | A | -0.2564 | |
| 400 | V | A | 1.3608 | |
| 401 | I | A | 0.2394 | |
| 402 | K | A | -1.5079 | |
| 403 | G | A | 0.0000 | |
| 404 | R | A | -1.6276 | |
| 405 | P | A | 0.0000 | |
| 406 | V | A | -0.1231 | |
| 407 | S | A | 0.0000 | |
| 408 | S | A | -0.6295 | |
| 409 | S | A | -0.3786 | |
| 410 | F | A | 0.2940 | |
| 411 | D | A | -1.1686 | |
| 412 | P | A | -0.1409 | |
| 413 | V | A | 0.3963 | |
| 414 | K | A | -0.9630 | |
| 415 | F | A | 0.0000 | |
| 416 | P | A | 0.0364 | |
| 417 | E | A | 0.0000 | |
| 418 | D | A | 0.0000 | |
| 419 | Q | A | 0.0000 | |
| 420 | F | A | 0.7671 | |
| 421 | N | A | -0.2642 | |
| 422 | V | A | 0.0000 | |
| 423 | A | A | 0.0000 | |
| 424 | L | A | 0.0000 | |
| 425 | D | A | -0.3124 | |
| 426 | Q | A | 0.0000 | |
| 427 | V | A | 0.2860 | |
| 428 | F | A | 0.3806 | |
| 429 | E | A | -0.9707 | |
| 430 | N | A | -0.7379 | |
| 431 | I | A | -0.4995 | |
| 432 | E | A | -1.2495 | |
| 433 | N | A | -1.3799 | |
| 434 | S | A | -1.1744 | |
| 435 | Q | A | -1.7267 | |
| 436 | A | A | -1.4795 | |
| 437 | L | A | -0.9271 | |
| 438 | V | A | -0.8115 | |
| 439 | D | A | -2.4170 | |
| 440 | Q | A | -1.7518 | |
| 441 | S | A | -1.2748 | |
| 442 | N | A | -2.0612 | |
| 443 | R | A | -2.6513 | |
| 444 | I | A | 0.0000 | |
| 445 | L | A | -0.7264 | |
| 446 | S | A | -1.7311 | |
| 447 | S | A | 0.0000 | |
| 448 | A | A | -1.8051 | |
| 449 | E | A | -2.6624 | |
| 450 | K | A | -2.6434 | |
| 451 | G | A | -1.8314 | |
| 452 | N | A | -2.2310 | |
| 453 | T | A | -1.3993 | |
| 1 | L | B | -0.5780 | |
| 2 | K | B | -2.2520 | |
| 3 | E | B | 0.0000 | |
| 4 | S | B | 0.0000 | |
| 5 | Y | B | 0.0000 | |
| 6 | L | B | 0.0000 | |
| 7 | E | B | -1.3685 | |
| 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 | -0.1689 | |
| 14 | T | B | 0.0000 | |
| 15 | E | B | -0.7125 | |
| 16 | G | B | -0.2080 | |
| 17 | Y | B | -0.2246 | |
| 18 | L | B | -0.1514 | |
| 19 | S | B | 0.0000 | |
| 20 | V | B | 0.0000 | |
| 21 | L | B | 0.0000 | |
| 22 | R | B | -0.0744 | |
| 23 | T | B | -0.0011 | |
| 24 | G | B | -0.0122 | |
| 25 | W | B | -0.0902 | |
| 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 | 0.0000 | |
| 34 | V | B | 0.0000 | |
| 35 | G | B | -1.2325 | |
| 36 | D | B | -1.7256 | |
| 37 | V | B | 0.0000 | |
| 38 | E | B | -2.8788 | |
| 39 | N | B | -2.4683 | |
| 40 | L | B | 0.0000 | |
| 41 | T | B | -2.2909 | |
| 42 | C | B | -2.0982 | |
| 43 | A | B | -1.1711 | |
| 44 | D | B | -1.3663 | |
| 45 | G | B | -1.1307 | |
| 46 | P | B | -0.9391 | |
| 47 | S | B | 0.0000 | |
| 48 | L | B | 0.0000 | |
| 49 | I | B | 0.0000 | |
| 50 | K | B | -1.5301 | |
| 51 | T | B | 0.0000 | |
| 52 | E | B | 0.0000 | |
| 53 | L | B | 0.0000 | |
| 54 | D | B | -1.9099 | |
| 55 | L | B | -0.9827 | |
| 56 | T | B | 0.0000 | |
| 57 | K | B | -2.4859 | |
| 58 | S | B | -1.5425 | |
| 59 | A | B | 0.0000 | |
| 60 | L | B | -1.4511 | |
| 61 | R | B | -2.6431 | |
| 62 | E | B | -1.8031 | |
| 63 | L | B | 0.0000 | |
| 64 | K | B | -2.0178 | |
| 65 | T | B | 0.0000 | |
| 66 | V | B | 0.0000 | |
| 67 | S | B | -0.7649 | |
| 68 | A | B | -0.6367 | |
| 69 | D | B | -1.0985 | |
| 70 | Q | B | 0.0000 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | 0.0000 | |
| 73 | G | B | -0.5917 | |
| 74 | G | B | 0.0000 | |
| 75 | G | B | 0.0000 | |
| 76 | S | B | -0.4540 | |
| 77 | A | B | -0.3542 | |
| 78 | T | B | -0.2453 | |
| 79 | A | B | -0.1917 | |
| 80 | A | B | 0.2108 | |
| 81 | A | B | 0.1408 | |
| 82 | V | B | 0.3342 | |
| 83 | T | B | 0.1810 | |
| 84 | A | B | 0.0589 | |
| 85 | G | B | 0.0214 | |
| 86 | V | B | -0.0509 | |
| 87 | A | B | 0.0000 | |
| 88 | I | B | -0.0946 | |
| 89 | A | B | 0.0000 | |
| 90 | K | B | -1.1501 | |
| 91 | T | B | 0.0000 | |
| 92 | I | B | 0.0000 | |
| 93 | R | B | -1.3512 | |
| 94 | L | B | -0.2682 | |
| 95 | E | B | -1.7894 | |
| 96 | S | B | -1.0402 | |
| 97 | E | B | -1.0486 | |
| 98 | V | B | 0.0000 | |
| 99 | T | B | -0.9551 | |
| 100 | A | B | -1.1556 | |
| 101 | I | B | 0.0000 | |
| 102 | K | B | -1.5044 | |
| 103 | N | B | -2.1755 | |
| 104 | A | B | -1.1693 | |
| 105 | L | B | 0.0000 | |
| 106 | K | B | -3.2295 | |
| 107 | K | B | -3.1761 | |
| 108 | T | B | -2.0586 | |
| 109 | N | B | -2.3717 | |
| 110 | E | B | -1.4841 | |
| 111 | A | B | 0.0000 | |
| 112 | V | B | 0.9031 | |
| 113 | S | B | 0.3750 | |
| 114 | T | B | -0.0557 | |
| 115 | L | B | -0.2007 | |
| 116 | G | B | -0.6653 | |
| 117 | N | B | 0.0000 | |
| 118 | G | B | -0.8660 | |
| 119 | V | B | -0.6342 | |
| 120 | R | B | -0.5970 | |
| 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 | 0.0000 | |
| 127 | R | B | -1.7240 | |
| 128 | E | B | -1.0580 | |
| 129 | L | B | 0.0000 | |
| 130 | K | B | -1.7854 | |
| 131 | D | B | -2.6926 | |
| 132 | F | B | -1.6884 | |
| 133 | V | B | 0.0000 | |
| 134 | S | B | -2.2382 | |
| 135 | K | B | -2.9416 | |
| 136 | N | B | -2.8569 | |
| 137 | L | B | 0.0000 | |
| 138 | T | B | -2.4865 | |
| 139 | R | B | -3.1692 | |
| 140 | A | B | -2.7888 | |
| 141 | I | B | 0.0000 | |
| 142 | N | B | -3.7791 | |
| 143 | K | B | -4.1969 | |
| 144 | N | B | -3.5906 | |
| 145 | K | B | -3.4814 | |
| 146 | C | B | 0.0000 | |
| 147 | D | B | -2.9767 | |
| 148 | I | B | 0.0000 | |
| 149 | P | B | -1.7862 | mutated: DP149B |
| 150 | D | B | -1.5357 | |
| 151 | L | B | -0.6502 | |
| 152 | K | B | -0.7910 | |
| 153 | M | B | 0.0000 | |
| 154 | A | B | 0.0000 | |
| 155 | V | B | -0.1132 | |
| 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 | -0.4618 | |
| 163 | R | B | -0.4768 | |
| 164 | F | B | 0.0000 | |
| 165 | L | B | -0.3604 | |
| 166 | N | B | -0.7213 | |
| 167 | V | B | 0.0000 | |
| 168 | V | B | 0.0000 | |
| 169 | R | B | -0.6112 | |
| 170 | Q | B | -0.6141 | |
| 171 | F | B | 0.0000 | |
| 172 | S | B | 0.0000 | |
| 173 | D | B | -0.7037 | |
| 174 | N | B | -0.6699 | |
| 175 | A | B | 0.0000 | |
| 176 | G | B | 0.0000 | |
| 177 | I | B | 0.0000 | |
| 178 | T | B | 0.0000 | |
| 179 | P | B | -0.5051 | |
| 180 | A | B | 0.0000 | |
| 181 | I | B | 0.0000 | |
| 182 | S | B | 0.0000 | |
| 183 | L | B | -0.0456 | |
| 184 | D | B | -0.0934 | |
| 185 | L | B | -0.0194 | |
| 186 | M | B | -0.0205 | |
| 187 | T | B | -0.4620 | |
| 188 | D | B | 0.0000 | |
| 189 | A | B | -0.7766 | |
| 190 | E | B | -1.3337 | |
| 191 | L | B | 0.0000 | |
| 192 | A | B | -1.1421 | |
| 193 | R | B | -2.2525 | |
| 194 | A | B | 0.0000 | |
| 195 | V | B | 0.0000 | |
| 196 | S | B | -1.0968 | |
| 197 | N | B | -0.9395 | |
| 198 | M | B | -0.2437 | |
| 199 | P | B | -0.0865 | |
| 200 | T | B | 0.0000 | |
| 201 | S | B | -0.4551 | |
| 202 | A | B | -0.4614 | |
| 203 | G | B | -0.6856 | |
| 204 | Q | B | -0.6042 | |
| 205 | I | B | -0.8187 | |
| 206 | K | B | -1.8854 | |
| 207 | L | B | -1.0388 | |
| 208 | M | B | 0.0000 | |
| 209 | L | B | -0.9930 | |
| 210 | E | B | -1.7176 | |
| 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 | -0.9738 | |
| 218 | K | B | -0.8748 | |
| 219 | G | B | 0.0000 | |
| 220 | F | B | -0.0871 | |
| 221 | G | B | 0.0000 | |
| 222 | I | B | 0.0000 | |
| 223 | L | B | 0.0000 | |
| 224 | I | B | 0.0000 | |
| 225 | G | B | 0.0000 | |
| 226 | V | B | 0.1452 | |
| 227 | Y | B | 0.9634 | |
| 228 | G | B | 0.0500 | |
| 229 | S | B | -0.0039 | |
| 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 | -0.1582 | |
| 237 | L | B | 0.0000 | |
| 238 | P | B | 0.0000 | |
| 239 | I | B | 0.0000 | |
| 240 | F | B | 0.0000 | |
| 241 | G | B | 0.1200 | |
| 242 | V | B | 0.0570 | |
| 243 | I | B | -0.0937 | |
| 244 | D | B | -1.2313 | |
| 245 | T | B | 0.0000 | |
| 246 | P | B | -0.3827 | |
| 247 | C | B | 0.0000 | |
| 248 | W | B | 0.0350 | |
| 249 | I | B | 0.2325 | |
| 250 | V | B | 0.0000 | |
| 251 | K | B | -0.6037 | |
| 252 | A | B | -0.3505 | |
| 253 | A | B | 0.0000 | |
| 254 | P | B | 0.0000 | |
| 255 | S | B | 0.0000 | |
| 256 | C | B | -0.6650 | |
| 257 | S | B | -1.2173 | |
| 258 | E | B | -3.1421 | |
| 259 | K | B | -3.7321 | |
| 260 | K | B | -3.4349 | |
| 261 | G | B | -2.4994 | |
| 262 | N | B | -2.6238 | |
| 263 | Y | B | 0.0000 | |
| 264 | A | B | -0.8296 | |
| 265 | C | B | 0.0000 | |
| 266 | L | B | 0.2210 | |
| 267 | L | B | -0.0200 | |
| 268 | R | B | 0.0000 | |
| 269 | E | B | -1.6281 | |
| 270 | D | B | -1.3236 | |
| 271 | Q | B | -1.3532 | |
| 272 | G | B | 0.0000 | |
| 273 | W | B | 0.0000 | |
| 274 | Y | B | 0.0510 | |
| 275 | C | B | 0.0000 | |
| 276 | Q | B | -0.5660 | |
| 277 | N | B | -0.8445 | |
| 278 | A | B | -0.4266 | |
| 279 | G | B | -0.8545 | |
| 280 | S | B | 0.0000 | |
| 281 | T | B | 0.0000 | |
| 282 | V | B | 0.0000 | |
| 283 | Y | B | 0.1033 | |
| 284 | Y | B | -0.2914 | |
| 285 | P | B | -1.1817 | |
| 286 | N | B | -2.0309 | |
| 287 | E | B | -1.8252 | |
| 288 | K | B | -2.3567 | |
| 289 | D | B | -1.4099 | |
| 290 | C | B | 0.0000 | |
| 291 | E | B | 0.0000 | |
| 292 | T | B | -0.8638 | |
| 293 | R | B | -1.2758 | |
| 294 | G | B | -1.7940 | |
| 295 | D | B | -1.9217 | |
| 296 | H | B | -1.2118 | |
| 297 | V | B | 0.0000 | |
| 298 | F | B | 0.0000 | |
| 299 | C | B | 0.0000 | |
| 300 | D | B | 0.0000 | |
| 301 | T | B | 0.0000 | |
| 302 | A | B | 0.0749 | |
| 303 | A | B | 0.0000 | |
| 304 | G | B | 0.2409 | |
| 305 | I | B | 0.0000 | |
| 306 | N | B | 0.0000 | |
| 307 | V | B | 0.0000 | |
| 308 | A | B | -0.9753 | |
| 309 | E | B | -1.6194 | |
| 310 | Q | B | -1.6607 | |
| 311 | S | B | 0.0000 | |
| 312 | K | B | -2.2484 | |
| 313 | E | B | -2.3141 | |
| 314 | C | B | 0.0000 | |
| 315 | N | B | -1.0687 | |
| 316 | I | B | -0.2395 | |
| 317 | N | B | 0.0763 | |
| 318 | I | B | 1.6494 | |
| 319 | S | B | 0.5944 | |
| 320 | T | B | -0.1613 | |
| 321 | T | B | 0.2342 | |
| 322 | N | B | -0.4573 | |
| 323 | Y | B | -0.1685 | |
| 324 | P | B | 0.0000 | |
| 325 | C | B | 0.0000 | |
| 326 | K | B | -0.9588 | |
| 327 | V | B | 0.0000 | |
| 328 | S | B | 0.0000 | |
| 329 | T | B | 0.0000 | |
| 330 | G | B | 0.0000 | |
| 331 | R | B | -0.6231 | |
| 332 | H | B | -0.2522 | |
| 333 | P | B | 0.0000 | |
| 334 | I | B | 0.0000 | |
| 335 | S | B | 0.0000 | |
| 336 | M | B | 0.7697 | |
| 337 | V | B | 0.7299 | |
| 338 | A | B | 0.0000 | |
| 339 | L | B | 0.3686 | |
| 340 | S | B | 0.0000 | |
| 341 | P | B | 0.1154 | |
| 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 | 0.0000 | |
| 350 | K | B | -3.1213 | |
| 351 | G | B | -1.6723 | |
| 352 | V | B | -0.7072 | |
| 353 | S | B | -1.3144 | |
| 354 | C | B | 0.0000 | |
| 355 | S | B | -0.4828 | |
| 356 | I | B | 0.0000 | |
| 357 | G | B | 0.0000 | |
| 358 | S | B | 0.4451 | |
| 359 | N | B | -0.1010 | |
| 360 | R | B | 0.0000 | |
| 361 | V | B | 1.8557 | |
| 362 | G | B | 1.8564 | |
| 363 | I | B | 2.7655 | |
| 364 | I | B | 1.7541 | |
| 365 | K | B | -1.0903 | |
| 366 | Q | B | -1.6686 | |
| 367 | L | B | -2.0171 | |
| 368 | N | B | -2.8153 | |
| 369 | K | B | -2.6592 | |
| 370 | G | B | -1.6781 | |
| 371 | C | B | -0.4379 | |
| 372 | S | B | -0.3340 | |
| 373 | Y | B | 0.2829 | |
| 374 | I | B | 0.0000 | |
| 375 | T | B | 0.0000 | |
| 376 | N | B | -1.5973 | |
| 377 | Q | B | -0.9766 | |
| 378 | D | B | -1.1038 | |
| 379 | A | B | 0.0000 | |
| 380 | D | B | -0.6999 | |
| 381 | T | B | 0.0000 | |
| 382 | V | B | 0.0000 | |
| 383 | T | B | 0.1785 | |
| 384 | I | B | 0.0000 | |
| 385 | D | B | -1.1064 | |
| 386 | N | B | -0.6655 | |
| 387 | T | B | 0.0000 | |
| 388 | V | B | 0.2844 | |
| 389 | Y | B | 0.0000 | |
| 390 | Q | B | 0.0000 | |
| 391 | L | B | 0.0000 | |
| 392 | S | B | -0.3536 | |
| 393 | K | B | -0.3053 | |
| 394 | V | B | 0.0025 | |
| 395 | E | B | -1.2365 | |
| 396 | G | B | -2.1337 | |
| 397 | E | B | -3.1781 | |
| 398 | Q | B | -2.7119 | |
| 399 | H | B | -2.0643 | |
| 400 | V | B | -0.5580 | |
| 401 | I | B | -0.7786 | |
| 402 | K | B | -1.8452 | |
| 403 | G | B | -2.0243 | |
| 404 | R | B | -2.6667 | |
| 405 | P | B | -1.5080 | |
| 406 | V | B | 0.0000 | |
| 407 | S | B | 0.0000 | |
| 408 | S | B | -0.8697 | |
| 409 | S | B | -0.4240 | |
| 410 | F | B | 0.5702 | |
| 411 | D | B | -0.5348 | |
| 412 | P | B | -0.4276 | |
| 413 | V | B | 0.0000 | |
| 414 | K | B | 0.0000 | |
| 415 | F | B | 0.0168 | |
| 416 | P | B | -0.2037 | |
| 417 | E | B | 0.0000 | |
| 418 | D | B | 0.0000 | |
| 419 | Q | B | 0.0000 | |
| 420 | F | B | 0.2486 | |
| 421 | N | B | -0.5898 | |
| 422 | V | B | 0.0000 | |
| 423 | A | B | 0.0000 | |
| 424 | L | B | 0.2333 | |
| 425 | D | B | 0.2557 | |
| 426 | Q | B | 0.0000 | |
| 427 | V | B | 0.0000 | |
| 428 | F | B | 0.5657 | |
| 429 | E | B | -0.6482 | |
| 430 | N | B | -0.8828 | |
| 431 | I | B | 0.0000 | |
| 432 | E | B | -1.3948 | |
| 433 | N | B | -1.2521 | |
| 434 | S | B | -0.6918 | |
| 435 | Q | B | -1.1834 | |
| 436 | A | B | -0.8709 | |
| 437 | L | B | 0.1608 | |
| 438 | V | B | -0.1260 | |
| 439 | D | B | -1.7839 | |
| 440 | Q | B | -1.4196 | |
| 441 | S | B | -1.0337 | |
| 442 | N | B | -1.9947 | |
| 443 | R | B | -2.5846 | |
| 444 | I | B | 0.0000 | |
| 445 | L | B | -0.9859 | |
| 446 | S | B | -1.9028 | |
| 447 | S | B | -2.1547 | |
| 448 | A | B | -2.2462 | |
| 449 | E | B | -3.1437 | |
| 450 | K | B | -3.1613 | |
| 451 | G | B | 0.0000 | |
| 452 | N | B | -2.5963 | |
| 453 | T | B | -1.8833 | |
| 1 | L | C | -1.6068 | |
| 2 | K | C | -3.0060 | |
| 3 | E | C | 0.0000 | |
| 4 | S | C | 0.0000 | |
| 5 | Y | C | 0.0000 | |
| 6 | L | C | 0.0000 | |
| 7 | E | C | -1.1038 | |
| 8 | E | C | -0.9519 | |
| 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 | -1.2173 | |
| 16 | G | C | -1.0023 | |
| 17 | Y | C | 0.0000 | |
| 18 | L | C | -0.5111 | |
| 19 | S | C | 0.0000 | |
| 20 | V | C | 0.0000 | |
| 21 | L | C | 0.0000 | |
| 22 | R | C | 0.0000 | |
| 23 | T | C | -0.1746 | |
| 24 | G | C | -0.4140 | |
| 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 | 0.0000 | |
| 34 | V | C | 0.0000 | |
| 35 | G | C | -1.2146 | |
| 36 | D | C | -1.4636 | |
| 37 | V | C | 0.0000 | |
| 38 | E | C | -1.7591 | |
| 39 | N | C | -2.0486 | |
| 40 | L | C | 0.0000 | |
| 41 | T | C | -1.7123 | |
| 42 | C | C | 0.0000 | |
| 43 | A | C | -2.2224 | |
| 44 | D | C | -2.7725 | |
| 45 | G | C | -2.0465 | |
| 46 | P | C | -1.6247 | |
| 47 | S | C | -1.3236 | |
| 48 | L | C | 0.0000 | |
| 49 | I | C | 0.0000 | |
| 50 | K | C | -1.4828 | |
| 51 | T | C | -0.8104 | |
| 52 | E | C | 0.0000 | |
| 53 | L | C | 0.0000 | |
| 54 | D | C | -1.4247 | |
| 55 | L | C | -0.8732 | |
| 56 | T | C | 0.0000 | |
| 57 | K | C | -1.6620 | |
| 58 | S | C | -1.5436 | |
| 59 | A | C | 0.0000 | |
| 60 | L | C | -1.6589 | |
| 61 | R | C | -2.6877 | |
| 62 | E | C | -1.9413 | |
| 63 | L | C | 0.0000 | |
| 64 | K | C | -2.3954 | |
| 65 | T | C | -1.6226 | |
| 66 | V | C | 0.0000 | |
| 67 | S | C | -0.7465 | |
| 68 | A | C | 0.0000 | |
| 69 | D | C | -0.9698 | |
| 70 | Q | C | -0.5778 | |
| 71 | L | C | 0.0000 | |
| 72 | G | C | -0.3170 | |
| 73 | G | C | 0.0000 | |
| 74 | G | C | -0.5411 | |
| 75 | G | C | 0.0000 | |
| 76 | S | C | -0.4276 | |
| 77 | A | C | -0.0262 | |
| 78 | T | C | 0.0000 | |
| 79 | A | C | 0.2270 | |
| 80 | A | C | 0.0000 | |
| 81 | A | C | 0.3409 | |
| 82 | V | C | 0.7085 | |
| 83 | T | C | 0.0000 | |
| 84 | A | C | 0.0000 | |
| 85 | G | C | 0.0000 | |
| 86 | V | C | 0.0000 | |
| 87 | A | C | 0.0000 | |
| 88 | I | C | 0.0000 | |
| 89 | A | C | 0.0000 | |
| 90 | K | C | -1.2146 | |
| 91 | T | C | 0.0000 | |
| 92 | I | C | 0.0000 | |
| 93 | R | C | -1.7230 | |
| 94 | L | C | -1.2112 | |
| 95 | E | C | -2.1044 | |
| 96 | S | C | -1.3481 | |
| 97 | E | C | -1.1501 | |
| 98 | V | C | -1.3465 | |
| 99 | T | C | -1.2817 | |
| 100 | A | C | -1.0017 | |
| 101 | I | C | 0.0000 | |
| 102 | K | C | -1.9020 | |
| 103 | N | C | -2.5934 | |
| 104 | A | C | -1.8399 | |
| 105 | L | C | 0.0000 | |
| 106 | K | C | -2.9302 | |
| 107 | K | C | -3.1899 | |
| 108 | T | C | -2.2663 | |
| 109 | N | C | -2.7116 | |
| 110 | E | C | -1.8893 | |
| 111 | A | C | -0.4483 | |
| 112 | V | C | 1.1715 | |
| 113 | S | C | 0.3271 | |
| 114 | T | C | -0.2150 | |
| 115 | L | C | -0.6703 | |
| 116 | G | C | -1.0974 | |
| 117 | N | C | 0.0000 | |
| 118 | G | C | -1.1060 | |
| 119 | V | C | 0.0000 | |
| 120 | R | C | -1.2812 | |
| 121 | V | C | 0.0000 | |
| 122 | L | C | 0.0000 | |
| 123 | A | C | 0.0000 | |
| 124 | T | C | 0.0000 | |
| 125 | A | C | -0.8905 | |
| 126 | V | C | -0.5437 | |
| 127 | R | C | -1.1817 | |
| 128 | E | C | -1.1344 | |
| 129 | L | C | 0.0000 | |
| 130 | K | C | -1.7062 | |
| 131 | D | C | -1.8182 | |
| 132 | F | C | 0.0000 | |
| 133 | V | C | 0.0000 | |
| 134 | S | C | -1.2542 | |
| 135 | K | C | -1.3881 | |
| 136 | N | C | 0.0000 | |
| 137 | L | C | 0.0000 | |
| 138 | T | C | -1.5397 | |
| 139 | R | C | -2.4606 | |
| 140 | A | C | 0.0000 | |
| 141 | I | C | -2.1627 | |
| 142 | N | C | -2.7024 | |
| 143 | K | C | -3.0013 | |
| 144 | N | C | -2.8625 | |
| 145 | K | C | -3.1425 | |
| 146 | C | C | 0.0000 | |
| 147 | D | C | -2.8272 | |
| 148 | I | C | 0.0000 | |
| 149 | P | C | -1.4024 | mutated: DP149C |
| 150 | D | C | -1.4384 | |
| 151 | L | C | 0.0000 | |
| 152 | K | C | -0.9992 | |
| 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 | -0.1356 | |
| 159 | Q | C | 0.0000 | |
| 160 | F | C | 0.0000 | |
| 161 | N | C | 0.0000 | |
| 162 | R | C | 0.0000 | |
| 163 | R | C | -0.3221 | |
| 164 | F | C | 0.0000 | |
| 165 | L | C | -0.2414 | |
| 166 | N | C | -0.5329 | |
| 167 | V | C | 0.0000 | |
| 168 | V | C | 0.0000 | |
| 169 | R | C | -1.0668 | |
| 170 | Q | C | -0.9252 | |
| 171 | F | C | 0.0000 | |
| 172 | S | C | 0.0000 | |
| 173 | D | C | -1.6011 | |
| 174 | N | C | 0.0000 | |
| 175 | A | C | -0.5945 | |
| 176 | G | C | -0.1709 | |
| 177 | I | C | 0.1087 | |
| 178 | T | C | -0.2751 | |
| 179 | P | C | -0.4233 | |
| 180 | A | C | -0.4640 | |
| 181 | I | C | 0.0000 | |
| 182 | S | C | -0.4445 | |
| 183 | L | C | 0.0000 | |
| 184 | D | C | -0.2823 | |
| 185 | L | C | -0.1392 | |
| 186 | M | C | 0.0000 | |
| 187 | T | C | -0.2437 | |
| 188 | D | C | -0.8655 | |
| 189 | A | C | -0.6241 | |
| 190 | E | C | -0.9241 | |
| 191 | L | C | 0.0000 | |
| 192 | A | C | -1.0671 | |
| 193 | R | C | -2.1191 | |
| 194 | A | C | 0.0000 | |
| 195 | V | C | 0.0000 | |
| 196 | S | C | -1.0512 | |
| 197 | N | C | -0.9127 | |
| 198 | M | C | 0.0000 | |
| 199 | P | C | -0.4175 | |
| 200 | T | C | -0.1196 | |
| 201 | S | C | -0.4196 | |
| 202 | A | C | -0.4156 | |
| 203 | G | C | -0.7467 | |
| 204 | Q | C | 0.0000 | |
| 205 | I | C | -0.6444 | |
| 206 | K | C | -1.6728 | |
| 207 | L | C | -0.8950 | |
| 208 | M | C | 0.0000 | |
| 209 | L | C | -0.5733 | |
| 210 | E | C | -1.7089 | |
| 211 | N | C | -1.1687 | |
| 212 | R | C | -0.8899 | |
| 213 | A | C | 0.0000 | |
| 214 | M | C | 0.0000 | |
| 215 | V | C | 0.0000 | |
| 216 | R | C | 0.0000 | |
| 217 | R | C | -1.1201 | |
| 218 | K | C | -0.7751 | |
| 219 | G | C | -0.4484 | |
| 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 | -0.5163 | |
| 226 | V | C | -0.3493 | |
| 227 | Y | C | -0.2472 | |
| 228 | G | C | -0.5115 | |
| 229 | S | C | -0.4340 | |
| 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 | 0.0098 | |
| 242 | V | C | 0.0661 | |
| 243 | I | C | -0.1214 | |
| 244 | D | C | -1.3208 | |
| 245 | T | C | -0.5550 | |
| 246 | P | C | -0.4029 | |
| 247 | C | C | 0.0000 | |
| 248 | W | C | -0.1744 | |
| 249 | I | C | 0.0000 | |
| 250 | V | C | 0.0000 | |
| 251 | K | C | 0.0000 | |
| 252 | A | C | -0.4297 | |
| 253 | A | C | 0.0000 | |
| 254 | P | C | 0.0000 | |
| 255 | S | C | 0.0000 | |
| 256 | C | C | -0.6712 | |
| 257 | S | C | -1.7101 | |
| 258 | E | C | -2.7831 | |
| 259 | K | C | -3.2050 | |
| 260 | K | C | -3.2398 | |
| 261 | G | C | -2.2278 | |
| 262 | N | C | -2.6769 | |
| 263 | Y | C | -1.9543 | |
| 264 | A | C | 0.0000 | |
| 265 | C | C | 0.0000 | |
| 266 | L | C | 0.0000 | |
| 267 | L | C | -0.2681 | |
| 268 | R | C | 0.0000 | |
| 269 | E | C | -1.5998 | |
| 270 | D | C | 0.0000 | |
| 271 | Q | C | -1.6247 | |
| 272 | G | C | 0.0000 | |
| 273 | W | C | 0.0000 | |
| 274 | Y | C | 0.0000 | |
| 275 | C | C | 0.0000 | |
| 276 | Q | C | -0.5255 | |
| 277 | N | C | 0.0000 | |
| 278 | A | C | -0.4362 | |
| 279 | G | C | -0.5834 | |
| 280 | S | C | 0.0000 | |
| 281 | T | C | 0.0000 | |
| 282 | V | C | 0.0000 | |
| 283 | Y | C | 0.3336 | |
| 284 | Y | C | -0.2503 | |
| 285 | P | C | -0.9611 | |
| 286 | N | C | -1.3994 | |
| 287 | E | C | -1.6491 | |
| 288 | K | C | -2.2793 | |
| 289 | D | C | -1.3542 | |
| 290 | C | C | 0.0000 | |
| 291 | E | C | 0.0000 | |
| 292 | T | C | -1.1089 | |
| 293 | R | C | -1.3298 | |
| 294 | G | C | -1.4632 | |
| 295 | D | C | -2.0510 | |
| 296 | H | C | -1.2668 | |
| 297 | V | C | 0.0000 | |
| 298 | F | C | 0.0000 | |
| 299 | C | C | 0.0000 | |
| 300 | D | C | -0.4359 | |
| 301 | T | C | 0.0000 | |
| 302 | A | C | 0.0000 | |
| 303 | A | C | 0.1164 | |
| 304 | G | C | 0.0000 | |
| 305 | I | C | 0.3429 | |
| 306 | N | C | 0.0000 | |
| 307 | V | C | 0.2621 | |
| 308 | A | C | -0.1285 | |
| 309 | E | C | -1.1268 | |
| 310 | Q | C | -1.3408 | |
| 311 | S | C | -1.4071 | |
| 312 | K | C | -1.8392 | |
| 313 | E | C | -2.1351 | |
| 314 | C | C | 0.0000 | |
| 315 | N | C | 0.0000 | |
| 316 | I | C | 1.0752 | |
| 317 | N | C | 0.0000 | |
| 318 | I | C | 1.8417 | |
| 319 | S | C | 0.5250 | |
| 320 | T | C | 0.0043 | |
| 321 | T | C | -0.6511 | |
| 322 | N | C | -1.5278 | |
| 323 | Y | C | -0.5449 | |
| 324 | P | C | -1.2892 | |
| 325 | C | C | 0.0000 | |
| 326 | K | C | -1.0033 | |
| 327 | V | C | 0.0000 | |
| 328 | S | C | -0.3503 | |
| 329 | T | C | -0.1926 | |
| 330 | G | C | -0.4262 | |
| 331 | R | C | 0.0000 | |
| 332 | H | C | -0.4636 | |
| 333 | P | C | -0.1424 | |
| 334 | I | C | 0.5433 | |
| 335 | S | C | 0.0000 | |
| 336 | M | C | 0.3165 | |
| 337 | V | C | 0.0000 | |
| 338 | A | C | 0.0000 | |
| 339 | L | C | 0.1651 | |
| 340 | S | C | 0.0000 | |
| 341 | P | C | -0.0549 | |
| 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 | 0.0000 | |
| 350 | K | C | -2.4678 | |
| 351 | G | C | -1.6492 | |
| 352 | V | C | 0.0000 | |
| 353 | S | C | -1.6703 | |
| 354 | C | C | 0.0000 | |
| 355 | S | C | -0.9092 | |
| 356 | I | C | 0.0000 | |
| 357 | G | C | 0.0000 | |
| 358 | S | C | 0.0509 | |
| 359 | N | C | -0.3743 | |
| 360 | R | C | -1.1742 | |
| 361 | V | C | 1.2311 | |
| 362 | G | C | 1.1097 | |
| 363 | I | C | 2.3980 | |
| 364 | I | C | 1.9368 | |
| 365 | K | C | -1.0314 | |
| 366 | Q | C | -1.6990 | |
| 367 | L | C | -1.6524 | |
| 368 | N | C | -2.6481 | |
| 369 | K | C | -2.3629 | |
| 370 | G | C | -1.6419 | |
| 371 | C | C | 0.0000 | |
| 372 | S | C | 0.0000 | |
| 373 | Y | C | 0.0823 | |
| 374 | I | C | 0.0000 | |
| 375 | T | C | 0.0000 | |
| 376 | N | C | -1.8687 | |
| 377 | Q | C | -2.3745 | |
| 378 | D | C | -1.9764 | |
| 379 | A | C | 0.0000 | |
| 380 | D | C | 0.0000 | |
| 381 | T | C | -0.3450 | |
| 382 | V | C | 0.0000 | |
| 383 | T | C | -0.3529 | |
| 384 | I | C | 0.0000 | |
| 385 | D | C | -1.3646 | |
| 386 | N | C | -0.6899 | |
| 387 | T | C | 0.0000 | |
| 388 | V | C | 0.1321 | |
| 389 | Y | C | 0.3215 | |
| 390 | Q | C | 0.0000 | |
| 391 | L | C | 0.0000 | |
| 392 | S | C | -1.1210 | |
| 393 | K | C | -0.8203 | |
| 394 | V | C | -0.7231 | |
| 395 | E | C | -2.3848 | |
| 396 | G | C | -2.5653 | |
| 397 | E | C | -3.2748 | |
| 398 | Q | C | -2.7258 | |
| 399 | H | C | -1.5372 | |
| 400 | V | C | 0.4643 | |
| 401 | I | C | 0.0650 | |
| 402 | K | C | -1.7049 | |
| 403 | G | C | -1.8061 | |
| 404 | R | C | -2.4737 | |
| 405 | P | C | -1.5981 | |
| 406 | V | C | 0.0000 | |
| 407 | S | C | 0.0000 | |
| 408 | S | C | -1.4289 | |
| 409 | S | C | -0.9916 | |
| 410 | F | C | -0.7424 | |
| 411 | D | C | -2.1877 | |
| 412 | P | C | -1.5111 | |
| 413 | V | C | -1.1567 | |
| 414 | K | C | -2.1471 | |
| 415 | F | C | -1.1292 | |
| 416 | P | C | -0.8869 | |
| 417 | E | C | -0.7639 | |
| 418 | D | C | 0.0000 | |
| 419 | Q | C | 0.0000 | |
| 420 | F | C | 0.4544 | |
| 421 | N | C | 0.2231 | |
| 422 | V | C | -0.0235 | |
| 423 | A | C | -0.0997 | |
| 424 | L | C | 0.0000 | |
| 425 | D | C | -0.4524 | |
| 426 | Q | C | 0.0000 | |
| 427 | V | C | 0.0000 | |
| 428 | F | C | 1.0507 | |
| 429 | E | C | -0.2587 | |
| 430 | N | C | -0.6268 | |
| 431 | I | C | -0.4990 | |
| 432 | E | C | -1.4003 | |
| 433 | N | C | -1.4679 | |
| 434 | S | C | -1.3425 | |
| 435 | Q | C | -2.0503 | |
| 436 | A | C | -1.6228 | |
| 437 | L | C | -0.6465 | |
| 438 | V | C | -1.3347 | |
| 439 | D | C | -2.7928 | |
| 440 | Q | C | -1.8319 | |
| 441 | S | C | 0.0000 | |
| 442 | N | C | -2.5277 | |
| 443 | R | C | -2.9020 | |
| 444 | I | C | 0.0000 | |
| 445 | L | C | -1.5765 | |
| 446 | S | C | -2.0893 | |
| 447 | S | C | -1.8219 | |
| 448 | A | C | 0.0000 | |
| 449 | E | C | -2.7417 | |
| 450 | K | C | -2.7019 | |
| 451 | G | C | -1.8975 | |
| 452 | N | C | -1.7158 | |
| 453 | T | C | -1.2087 |
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, -0.6149 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_6 | -0.6149 | View | CSV | PDB |
| model_0 | -0.6349 | View | CSV | PDB |
| model_8 | -0.6562 | View | CSV | PDB |
| model_4 | -0.6581 | View | CSV | PDB |
| model_7 | -0.6664 | View | CSV | PDB |
| CABS_average | -0.6675 | View | CSV | PDB |
| model_5 | -0.6729 | View | CSV | PDB |
| model_3 | -0.6738 | View | CSV | PDB |
| model_2 | -0.6793 | View | CSV | PDB |
| input | -0.6824 | View | CSV | PDB |
| model_9 | -0.683 | View | CSV | PDB |
| model_1 | -0.6852 | View | CSV | PDB |
| model_11 | -0.6886 | View | CSV | PDB |
| model_10 | -0.6969 | 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