Project name: MPV_205Y208I209H210Y216Y_417P [mutate: RY169A, RY169C, RY169B, SI172A, SI172C, SI172B, DH173A, DH173C, DH173B, NY174A, NY174C, NY174B, AY180A, AY180C, AY180B, QP417A, QP417C, QP417B]
Status: done
Started: 2025-12-11 17:51:33
| Chain sequence(s) |
A: LKESYLEESCSTITEGYLSVLRTGWYTNVFTLEVGDVENLTCADGPSLIKTELDLTKSALRELKTVSADQLGGGGSATAAAVTAGVAIAKCIRLPSEVTAIKNALKKTNEAVSTLGCGVRVLATAVPELKDFVSKNLTRAINKNKCDIPDLKMAVSFSQFNRRFLNVVRQFSDNAGITPAISLDLMTDAELARAVSNMPTSAGQIKLMLENRAMVRRKGFGILIGVYGSSVIYMVQLPIFGVIDTPCWIVKAAPSCSEKKGNYACLLREDQGWYCQNAGSTVYYPNEKDCETRGDHVFCDTAAGINVAEQSKECNINISTTNYPCKVSTGRNPISMVALSPLGALVACYKGVSCSIGSNRVGIIKQLNKGCSYITNQDADTVTIDNTVYQLSKVEGEQHVIKGRPVSSSFDPVKFPQDQFNVALPQVFENIENSQAWVDKFNRILSSAEKGNT
C: LKESYLEESCSTITEGYLSVLRTGWYTNVFTLEVGDVENLTCADGPSLIKTELDLTKSALRELKTVSADQLGGGGSATAAAVTAGVAIAKCIRLPSEVTAIKNALKKTNEAVSTLGCGVRVLATAVPELKDFVSKNLTRAINKNKCDIPDLKMAVSFSQFNRRFLNVVRQFSDNAGITPAISLDLMTDAELARAVSNMPTSAGQIKLMLENRAMVRRKGFGILIGVYGSSVIYMVQLPIFGVIDTPCWIVKAAPSCSEKKGNYACLLREDQGWYCQNAGSTVYYPNEKDCETRGDHVFCDTAAGINVAEQSKECNINISTTNYPCKVSTGRNPISMVALSPLGALVACYKGVSCSIGSNRVGIIKQLNKGCSYITNQDADTVTIDNTVYQLSKVEGEQHVIKGRPVSSSFDPVKFPQDQFNVALPQVFENIENSQAWVDKFNRILSSAEKGNT B: LKESYLEESCSTITEGYLSVLRTGWYTNVFTLEVGDVENLTCADGPSLIKTELDLTKSALRELKTVSADQLGGGGSATAAAVTAGVAIAKCIRLPSEVTAIKNALKKTNEAVSTLGCGVRVLATAVPELKDFVSKNLTRAINKNKCDIPDLKMAVSFSQFNRRFLNVVRQFSDNAGITPAISLDLMTDAELARAVSNMPTSAGQIKLMLENRAMVRRKGFGILIGVYGSSVIYMVQLPIFGVIDTPCWIVKAAPSCSEKKGNYACLLREDQGWYCQNAGSTVYYPNEKDCETRGDHVFCDTAAGINVAEQSKECNINISTTNYPCKVSTGRNPISMVALSPLGALVACYKGVSCSIGSNRVGIIKQLNKGCSYITNQDADTVTIDNTVYQLSKVEGEQHVIKGRPVSSSFDPVKFPQDQFNVALPQVFENIENSQAWVDKFNRILSSAEKGNT input PDB |
| Selected Chain(s) | A,C,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | Yes |
| Automated mutations | No |
| Mutated residues | SI172B,DH173B,AY180B,RY169B,QP417B,NY174B,RY169C,DH173C,SI172C,NY174C,QP417A,NY174A,DH173A,SI172A,AY180C,QP417C,RY169A,AY180A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -9.07438 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 (00:35:44)
[INFO] CABS: Running CABS flex simulation (01:17:26)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (10:42:28)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (10:42:57)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (10:43:26)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (10:43:55)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (10:44:25)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (10:44:54)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (10:45:23)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (10:45:52)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (10:46:21)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (10:46:51)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (10:47:21)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (10:47:50)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (10:48:20)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (10:49:21)
[INFO] Main: Simulation completed successfully. (10:49:49)
|
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
- -4.1362
- Maximal score value
- 1.7907
- Average score
- -0.636
- Total score value
- -864.299
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 | -0.2214 | |
| 2 | K | A | -1.7464 | |
| 3 | E | A | 0.0000 | |
| 4 | S | A | 0.0000 | |
| 5 | Y | A | -0.1508 | |
| 6 | L | A | 0.0000 | |
| 7 | E | A | -1.9181 | |
| 8 | E | A | -1.6963 | |
| 9 | S | A | -0.8256 | |
| 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 | -0.2748 | |
| 16 | G | A | -0.1311 | |
| 17 | Y | A | -0.2157 | |
| 18 | L | A | -0.1210 | |
| 19 | S | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | R | A | 0.0000 | |
| 23 | T | A | 0.2344 | |
| 24 | G | A | 0.1790 | |
| 25 | W | A | 0.1189 | |
| 26 | Y | A | 0.0000 | |
| 27 | T | A | 0.0000 | |
| 28 | N | A | 0.0000 | |
| 29 | V | A | 0.0000 | |
| 30 | F | A | 0.0000 | |
| 31 | T | A | 0.0000 | |
| 32 | L | A | 0.0000 | |
| 33 | E | A | -1.0868 | |
| 34 | V | A | 0.0000 | |
| 35 | G | A | -1.6846 | |
| 36 | D | A | -2.2408 | |
| 37 | V | A | 0.0000 | |
| 38 | E | A | -1.8903 | |
| 39 | N | A | -2.1671 | |
| 40 | L | A | 0.0000 | |
| 41 | T | A | -1.8345 | |
| 42 | C | A | 0.0000 | |
| 43 | A | A | -1.8698 | |
| 44 | D | A | -2.3835 | |
| 45 | G | A | -1.3751 | |
| 46 | P | A | -1.0756 | |
| 47 | S | A | -1.2687 | |
| 48 | L | A | -0.5832 | |
| 49 | I | A | 0.0000 | |
| 50 | K | A | 0.0000 | |
| 51 | T | A | 0.0000 | |
| 52 | E | A | -0.5689 | |
| 53 | L | A | 0.0000 | |
| 54 | D | A | -1.6722 | |
| 55 | L | A | -0.5638 | |
| 56 | T | A | 0.0000 | |
| 57 | K | A | -1.4599 | |
| 58 | S | A | -0.8850 | |
| 59 | A | A | 0.0000 | |
| 60 | L | A | -1.0756 | |
| 61 | R | A | -1.5039 | |
| 62 | E | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -1.9479 | |
| 65 | T | A | -1.2007 | |
| 66 | V | A | 0.0000 | |
| 67 | S | A | -1.1197 | |
| 68 | A | A | 0.0000 | |
| 69 | D | A | -1.6689 | |
| 70 | Q | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | -0.8907 | |
| 73 | G | A | -1.1723 | |
| 74 | G | A | -0.7058 | |
| 75 | G | A | -0.7139 | |
| 76 | S | A | -0.6595 | |
| 77 | A | A | 0.0000 | |
| 78 | T | A | -0.1827 | |
| 79 | A | A | -0.3399 | |
| 80 | A | A | 0.0000 | |
| 81 | A | A | 0.0896 | |
| 82 | V | A | 0.0000 | |
| 83 | T | A | 0.0249 | |
| 84 | A | A | 0.0000 | |
| 85 | G | A | 0.0000 | |
| 86 | V | A | -0.4024 | |
| 87 | A | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | K | A | -1.5015 | |
| 91 | C | A | -0.7787 | |
| 92 | I | A | 0.0000 | |
| 93 | R | A | -1.7818 | |
| 94 | L | A | -0.1586 | |
| 95 | P | A | -0.5016 | |
| 96 | S | A | -0.4371 | |
| 97 | E | A | -0.7961 | |
| 98 | V | A | 0.0000 | |
| 99 | T | A | -0.7275 | |
| 100 | A | A | -0.7494 | |
| 101 | I | A | 0.0000 | |
| 102 | K | A | -1.6294 | |
| 103 | N | A | -2.3835 | |
| 104 | A | A | -1.7952 | |
| 105 | L | A | 0.0000 | |
| 106 | K | A | -3.4848 | |
| 107 | K | A | -3.2898 | |
| 108 | T | A | -2.1402 | |
| 109 | N | A | -2.3825 | |
| 110 | E | A | -1.2430 | |
| 111 | A | A | 0.0000 | |
| 112 | V | A | 1.4211 | |
| 113 | S | A | 0.4432 | |
| 114 | T | A | -0.2714 | |
| 115 | L | A | 0.0000 | |
| 116 | G | A | -0.5934 | |
| 117 | C | A | -1.0491 | |
| 118 | G | A | -1.1729 | |
| 119 | V | A | -0.6541 | |
| 120 | R | A | -0.7936 | |
| 121 | V | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | A | A | 0.0000 | |
| 124 | T | A | -0.4288 | |
| 125 | A | A | -1.0860 | |
| 126 | V | A | -0.5040 | |
| 127 | P | A | -1.2401 | |
| 128 | E | A | -1.4251 | |
| 129 | L | A | 0.0000 | |
| 130 | K | A | -2.1198 | |
| 131 | D | A | -2.9200 | |
| 132 | F | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | S | A | -2.5045 | |
| 135 | K | A | -3.3710 | |
| 136 | N | A | -3.2147 | |
| 137 | L | A | 0.0000 | |
| 138 | T | A | -2.8574 | |
| 139 | R | A | -3.5925 | |
| 140 | A | A | -3.1082 | |
| 141 | I | A | 0.0000 | |
| 142 | N | A | -3.7561 | |
| 143 | K | A | -4.1362 | |
| 144 | N | A | -3.9113 | |
| 145 | K | A | -3.8842 | |
| 146 | C | A | 0.0000 | |
| 147 | D | A | -2.9568 | |
| 148 | I | A | -1.9395 | |
| 149 | P | A | 0.0000 | |
| 150 | D | A | -1.2746 | |
| 151 | L | A | -1.1341 | |
| 152 | K | A | -1.7648 | |
| 153 | M | A | 0.0000 | |
| 154 | A | A | 0.0000 | |
| 155 | V | A | 0.0000 | |
| 156 | S | A | -0.6301 | |
| 157 | F | A | 0.0000 | |
| 158 | S | A | -0.5484 | |
| 159 | Q | A | -0.6687 | |
| 160 | F | A | 0.0000 | |
| 161 | N | A | -0.6745 | |
| 162 | R | A | -0.8231 | |
| 163 | R | A | -0.9781 | |
| 164 | F | A | 0.0000 | |
| 165 | L | A | -0.2123 | |
| 166 | N | A | -0.6167 | |
| 167 | V | A | -0.2532 | |
| 168 | V | A | 0.0000 | |
| 169 | Y | A | -0.0143 | mutated: RY169A |
| 170 | Q | A | -0.2144 | |
| 171 | F | A | 0.0000 | |
| 172 | I | A | 0.0000 | mutated: SI172A |
| 173 | H | A | -0.3526 | mutated: DH173A |
| 174 | Y | A | 0.0000 | mutated: NY174A |
| 175 | A | A | 0.0000 | |
| 176 | G | A | 0.0000 | |
| 177 | I | A | 0.0000 | |
| 178 | T | A | 0.0000 | |
| 179 | P | A | -0.3316 | |
| 180 | Y | A | 0.0000 | mutated: AY180A |
| 181 | I | A | 0.0000 | |
| 182 | S | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | D | A | -0.8667 | |
| 185 | L | A | 0.0000 | |
| 186 | M | A | 0.0000 | |
| 187 | T | A | 0.0000 | |
| 188 | D | A | -2.2466 | |
| 189 | A | A | -1.2621 | |
| 190 | E | A | -1.3413 | |
| 191 | L | A | 0.0000 | |
| 192 | A | A | -1.4403 | |
| 193 | R | A | -2.3305 | |
| 194 | A | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | S | A | -1.5433 | |
| 197 | N | A | -1.5103 | |
| 198 | M | A | 0.0000 | |
| 199 | P | A | -0.5878 | |
| 200 | T | A | -0.3675 | |
| 201 | S | A | -0.4311 | |
| 202 | A | A | -0.5464 | |
| 203 | G | A | -0.5439 | |
| 204 | Q | A | -0.6070 | |
| 205 | I | A | -0.9074 | |
| 206 | K | A | -1.3017 | |
| 207 | L | A | -0.6705 | |
| 208 | M | A | 0.0000 | |
| 209 | L | A | -0.8225 | |
| 210 | E | A | -1.2860 | |
| 211 | N | A | 0.0000 | |
| 212 | R | A | -0.9957 | |
| 213 | A | A | 0.0000 | |
| 214 | M | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | R | A | 0.0000 | |
| 217 | R | A | 0.0000 | |
| 218 | K | A | -0.2450 | |
| 219 | G | A | 0.0000 | |
| 220 | F | A | 0.0000 | |
| 221 | G | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | L | A | 0.0000 | |
| 224 | I | A | 0.0000 | |
| 225 | G | A | -0.8666 | |
| 226 | V | A | -0.4356 | |
| 227 | Y | A | 0.0322 | |
| 228 | G | A | -0.5107 | |
| 229 | S | A | -0.7435 | |
| 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 | 0.2449 | |
| 240 | F | A | 0.0000 | |
| 241 | G | A | 0.1547 | |
| 242 | V | A | 0.2446 | |
| 243 | I | A | -0.1196 | |
| 244 | D | A | -1.2861 | |
| 245 | T | A | 0.0000 | |
| 246 | P | A | -0.5583 | |
| 247 | C | A | 0.0000 | |
| 248 | W | A | 0.1357 | |
| 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 | -0.5381 | |
| 257 | S | A | -1.2433 | |
| 258 | E | A | -2.4435 | |
| 259 | K | A | -3.3453 | |
| 260 | K | A | -3.3895 | |
| 261 | G | A | -2.2595 | |
| 262 | N | A | -2.3787 | |
| 263 | Y | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | C | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | L | A | -0.0195 | |
| 268 | R | A | 0.0000 | |
| 269 | E | A | -1.3350 | |
| 270 | D | A | -2.0621 | |
| 271 | Q | A | -1.5325 | |
| 272 | G | A | 0.0000 | |
| 273 | W | A | 0.0000 | |
| 274 | Y | A | 0.0000 | |
| 275 | C | A | 0.0000 | |
| 276 | Q | A | -0.9627 | |
| 277 | N | A | -0.9100 | |
| 278 | A | A | -0.3987 | |
| 279 | G | A | -1.1071 | |
| 280 | S | A | 0.0000 | |
| 281 | T | A | 0.0000 | |
| 282 | V | A | 0.0000 | |
| 283 | Y | A | 0.3447 | |
| 284 | Y | A | -0.4325 | |
| 285 | P | A | -1.5472 | |
| 286 | N | A | -2.5250 | |
| 287 | E | A | -3.0690 | |
| 288 | K | A | -2.9377 | |
| 289 | D | A | -1.9269 | |
| 290 | C | A | 0.0000 | |
| 291 | E | A | 0.0000 | |
| 292 | T | A | -0.8511 | |
| 293 | R | A | -0.8590 | |
| 294 | G | A | -1.0180 | |
| 295 | D | A | -0.8151 | |
| 296 | H | A | 0.0000 | |
| 297 | V | A | 0.0000 | |
| 298 | F | A | 0.0000 | |
| 299 | C | A | 0.0000 | |
| 300 | D | A | 0.0000 | |
| 301 | T | A | 0.0000 | |
| 302 | A | A | 0.2548 | |
| 303 | A | A | 0.0960 | |
| 304 | G | A | 0.1123 | |
| 305 | I | A | 0.6617 | |
| 306 | N | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | A | A | -1.3145 | |
| 309 | E | A | -2.5758 | |
| 310 | Q | A | -2.3039 | |
| 311 | S | A | -1.6272 | |
| 312 | K | A | -1.2838 | |
| 313 | E | A | -1.5442 | |
| 314 | C | A | 0.0000 | |
| 315 | N | A | 0.0000 | |
| 316 | I | A | 0.4839 | |
| 317 | N | A | 0.0000 | |
| 318 | I | A | 1.0537 | |
| 319 | S | A | -0.3805 | |
| 320 | T | A | -0.4635 | |
| 321 | T | A | -0.5454 | |
| 322 | N | A | -1.0334 | |
| 323 | Y | A | -0.1612 | |
| 324 | P | A | -0.5690 | |
| 325 | C | A | 0.0000 | |
| 326 | K | A | -0.8784 | |
| 327 | V | A | 0.0000 | |
| 328 | S | A | 0.0196 | |
| 329 | T | A | 0.0000 | |
| 330 | G | A | 0.0830 | |
| 331 | R | A | -0.7313 | |
| 332 | N | A | -0.7370 | |
| 333 | P | A | 0.0000 | |
| 334 | I | A | 0.9191 | |
| 335 | S | A | 0.0000 | |
| 336 | M | A | 0.7202 | |
| 337 | V | A | 0.7024 | |
| 338 | A | A | 0.0000 | |
| 339 | L | A | 0.2990 | |
| 340 | S | A | 0.0000 | |
| 341 | P | A | 0.0723 | |
| 342 | L | A | -0.2872 | |
| 343 | G | A | 0.0000 | |
| 344 | A | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | V | A | 0.0000 | |
| 347 | A | A | 0.0000 | |
| 348 | C | A | 0.0000 | |
| 349 | Y | A | 0.0000 | |
| 350 | K | A | -3.1558 | |
| 351 | G | A | -1.8396 | |
| 352 | V | A | -1.1546 | |
| 353 | S | A | -1.3912 | |
| 354 | C | A | 0.0000 | |
| 355 | S | A | -0.3930 | |
| 356 | I | A | 0.0000 | |
| 357 | G | A | 0.3490 | |
| 358 | S | A | 0.0000 | |
| 359 | N | A | -0.3323 | |
| 360 | R | A | -1.2524 | |
| 361 | V | A | 0.7190 | |
| 362 | G | A | 0.6840 | |
| 363 | I | A | 1.6784 | |
| 364 | I | A | 1.7907 | |
| 365 | K | A | -0.5488 | |
| 366 | Q | A | -1.2556 | |
| 367 | L | A | -1.4902 | |
| 368 | N | A | -2.7652 | |
| 369 | K | A | -2.8986 | |
| 370 | G | A | 0.0000 | |
| 371 | C | A | -0.1085 | |
| 372 | S | A | 0.0402 | |
| 373 | Y | A | 0.2640 | |
| 374 | I | A | 0.1834 | |
| 375 | T | A | 0.0000 | |
| 376 | N | A | -1.7989 | |
| 377 | Q | A | -0.8924 | |
| 378 | D | A | -0.7689 | |
| 379 | A | A | -0.7197 | |
| 380 | D | A | 0.0000 | |
| 381 | T | A | 0.2187 | |
| 382 | V | A | 0.0000 | |
| 383 | T | A | 0.0788 | |
| 384 | I | A | -0.1570 | |
| 385 | D | A | -1.0280 | |
| 386 | N | A | -0.6891 | |
| 387 | T | A | 0.0000 | |
| 388 | V | A | 0.2636 | |
| 389 | Y | A | 0.3752 | |
| 390 | Q | A | 0.0652 | |
| 391 | L | A | 0.0000 | |
| 392 | S | A | 0.0132 | |
| 393 | K | A | 0.0000 | |
| 394 | V | A | 0.0679 | |
| 395 | E | A | -1.6185 | |
| 396 | G | A | -1.6942 | |
| 397 | E | A | -2.7518 | |
| 398 | Q | A | -2.0400 | |
| 399 | H | A | -0.9514 | |
| 400 | V | A | 0.0401 | |
| 401 | I | A | 0.1651 | |
| 402 | K | A | -1.8677 | |
| 403 | G | A | -2.1176 | |
| 404 | R | A | -2.7304 | |
| 405 | P | A | -1.8333 | |
| 406 | V | A | 0.0000 | |
| 407 | S | A | -0.2964 | |
| 408 | S | A | -0.4771 | |
| 409 | S | A | -0.2139 | |
| 410 | F | A | 0.2373 | |
| 411 | D | A | -0.6664 | |
| 412 | P | A | 0.4877 | |
| 413 | V | A | 1.5283 | |
| 414 | K | A | 0.5810 | |
| 415 | F | A | 0.2073 | |
| 416 | P | A | 0.1055 | |
| 417 | P | A | 0.0000 | mutated: QP417A |
| 418 | D | A | 0.0739 | |
| 419 | Q | A | 0.0000 | |
| 420 | F | A | 1.3961 | |
| 421 | N | A | 0.2743 | |
| 422 | V | A | 0.0000 | |
| 423 | A | A | -0.2886 | |
| 424 | L | A | 0.0000 | |
| 425 | P | A | -0.0359 | |
| 426 | Q | A | -0.6180 | |
| 427 | V | A | -0.1649 | |
| 428 | F | A | 0.1365 | |
| 429 | E | A | -1.3523 | |
| 430 | N | A | -1.0761 | |
| 431 | I | A | -0.5008 | |
| 432 | E | A | -2.0200 | |
| 433 | N | A | -1.5588 | |
| 434 | S | A | -0.7678 | |
| 435 | Q | A | -1.5119 | |
| 436 | A | A | -1.4392 | |
| 437 | W | A | -0.8174 | |
| 438 | V | A | -0.5747 | |
| 439 | D | A | -2.5928 | |
| 440 | K | A | -2.2337 | |
| 441 | F | A | 0.0000 | |
| 442 | N | A | -2.6697 | |
| 443 | R | A | -3.1037 | |
| 444 | I | A | 0.0000 | |
| 445 | L | A | -2.3014 | |
| 446 | S | A | -2.3082 | |
| 447 | S | A | -2.4202 | |
| 448 | A | A | -2.5800 | |
| 449 | E | A | -3.1423 | |
| 450 | K | A | -2.9956 | |
| 451 | G | A | -2.1548 | |
| 452 | N | A | -2.2895 | |
| 453 | T | A | -1.4336 | |
| 1 | L | B | 0.0430 | |
| 2 | K | B | -1.1672 | |
| 3 | E | B | 0.0000 | |
| 4 | S | B | 0.0000 | |
| 5 | Y | B | 0.0000 | |
| 6 | L | B | 0.0000 | |
| 7 | E | B | -1.2847 | |
| 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 | -0.0188 | |
| 16 | G | B | 0.0094 | |
| 17 | Y | B | -0.4626 | |
| 18 | L | B | -0.7220 | |
| 19 | S | B | 0.0000 | |
| 20 | V | B | 0.0000 | |
| 21 | L | B | 0.0000 | |
| 22 | R | B | 0.0000 | |
| 23 | T | B | 0.1151 | |
| 24 | G | B | 0.1156 | |
| 25 | W | B | 0.1022 | |
| 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 | -1.3477 | |
| 34 | V | B | 0.0000 | |
| 35 | G | B | -1.4470 | |
| 36 | D | B | -1.9540 | |
| 37 | V | B | 0.0000 | |
| 38 | E | B | -1.7644 | |
| 39 | N | B | -2.0488 | |
| 40 | L | B | 0.0000 | |
| 41 | T | B | -2.0373 | |
| 42 | C | B | 0.0000 | |
| 43 | A | B | -1.7933 | |
| 44 | D | B | -2.5185 | |
| 45 | G | B | -1.5326 | |
| 46 | P | B | -1.0998 | |
| 47 | S | B | -1.1869 | |
| 48 | L | B | 0.0000 | |
| 49 | I | B | 0.0000 | |
| 50 | K | B | 0.0000 | |
| 51 | T | B | -0.8296 | |
| 52 | E | B | 0.0000 | |
| 53 | L | B | 0.0000 | |
| 54 | D | B | -1.8911 | |
| 55 | L | B | 0.0000 | |
| 56 | T | B | 0.0000 | |
| 57 | K | B | -2.0594 | |
| 58 | S | B | -1.3346 | |
| 59 | A | B | 0.0000 | |
| 60 | L | B | -1.4384 | |
| 61 | R | B | -2.2568 | |
| 62 | E | B | 0.0000 | |
| 63 | L | B | 0.0000 | |
| 64 | K | B | -1.9872 | |
| 65 | T | B | -1.1249 | |
| 66 | V | B | 0.0000 | |
| 67 | S | B | -1.0682 | |
| 68 | A | B | -1.1957 | |
| 69 | D | B | -2.1738 | |
| 70 | Q | B | 0.0000 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | 0.0000 | |
| 73 | G | B | -0.9947 | |
| 74 | G | B | -0.6552 | |
| 75 | G | B | -0.7941 | |
| 76 | S | B | -0.8627 | |
| 77 | A | B | -0.4073 | |
| 78 | T | B | -0.2039 | |
| 79 | A | B | -0.2167 | |
| 80 | A | B | 0.3056 | |
| 81 | A | B | 0.0000 | |
| 82 | V | B | 0.2476 | |
| 83 | T | B | 0.2615 | |
| 84 | A | B | 0.0000 | |
| 85 | G | B | 0.0000 | |
| 86 | V | B | 0.1722 | |
| 87 | A | B | -0.2096 | |
| 88 | I | B | 0.1251 | |
| 89 | A | B | 0.0000 | |
| 90 | K | B | -1.2171 | |
| 91 | C | B | -0.3804 | |
| 92 | I | B | 0.0000 | |
| 93 | R | B | -1.1649 | |
| 94 | L | B | -0.5015 | |
| 95 | P | B | -0.6096 | |
| 96 | S | B | -0.6609 | |
| 97 | E | B | -1.0145 | |
| 98 | V | B | -0.8120 | |
| 99 | T | B | -0.9228 | |
| 100 | A | B | -0.9016 | |
| 101 | I | B | 0.0000 | |
| 102 | K | B | -1.8813 | |
| 103 | N | B | -2.0530 | |
| 104 | A | B | -1.4121 | |
| 105 | L | B | 0.0000 | |
| 106 | K | B | -3.3565 | |
| 107 | K | B | -3.0987 | |
| 108 | T | B | -2.2662 | |
| 109 | N | B | -2.2405 | |
| 110 | E | B | -1.2513 | |
| 111 | A | B | 0.0617 | |
| 112 | V | B | 1.0667 | |
| 113 | S | B | 0.2228 | |
| 114 | T | B | -0.3757 | |
| 115 | L | B | 0.0000 | |
| 116 | G | B | -1.1222 | |
| 117 | C | B | -0.9183 | |
| 118 | G | B | -0.9517 | |
| 119 | V | B | -0.4245 | |
| 120 | R | B | -0.9777 | |
| 121 | V | B | 0.0000 | |
| 122 | L | B | 0.0000 | |
| 123 | A | B | 0.0000 | |
| 124 | T | B | 0.0000 | |
| 125 | A | B | -1.5671 | |
| 126 | V | B | 0.0000 | |
| 127 | P | B | -1.2615 | |
| 128 | E | B | -1.0457 | |
| 129 | L | B | 0.0000 | |
| 130 | K | B | -1.9154 | |
| 131 | D | B | -2.0252 | |
| 132 | F | B | -1.2975 | |
| 133 | V | B | 0.0000 | |
| 134 | S | B | -1.7634 | |
| 135 | K | B | -2.2183 | |
| 136 | N | B | -1.8136 | |
| 137 | L | B | 0.0000 | |
| 138 | T | B | -1.8753 | |
| 139 | R | B | -2.6679 | |
| 140 | A | B | 0.0000 | |
| 141 | I | B | -2.3498 | |
| 142 | N | B | -3.3794 | |
| 143 | K | B | -3.7409 | |
| 144 | N | B | -3.6855 | |
| 145 | K | B | -3.8606 | |
| 146 | C | B | 0.0000 | |
| 147 | D | B | -3.1714 | |
| 148 | I | B | -1.4528 | |
| 149 | P | B | 0.0000 | |
| 150 | D | B | -0.9519 | |
| 151 | L | B | -1.0345 | |
| 152 | K | B | -1.4911 | |
| 153 | M | B | 0.0000 | |
| 154 | A | B | 0.0000 | |
| 155 | V | B | -0.4229 | |
| 156 | S | B | 0.0000 | |
| 157 | F | B | 0.0000 | |
| 158 | S | B | -0.4627 | |
| 159 | Q | B | -0.4136 | |
| 160 | F | B | 0.0000 | |
| 161 | N | B | 0.0000 | |
| 162 | R | B | -1.0745 | |
| 163 | R | B | -0.8329 | |
| 164 | F | B | 0.0000 | |
| 165 | L | B | -0.5005 | |
| 166 | N | B | -0.6761 | |
| 167 | V | B | 0.0000 | |
| 168 | V | B | 0.0000 | |
| 169 | Y | B | -0.0379 | mutated: RY169B |
| 170 | Q | B | -0.2882 | |
| 171 | F | B | 0.0000 | |
| 172 | I | B | 0.0000 | mutated: SI172B |
| 173 | H | B | -0.1093 | mutated: DH173B |
| 174 | Y | B | 0.0036 | mutated: NY174B |
| 175 | A | B | 0.0000 | |
| 176 | G | B | 0.0000 | |
| 177 | I | B | 0.0000 | |
| 178 | T | B | 0.0000 | |
| 179 | P | B | -0.3119 | |
| 180 | Y | B | 0.0000 | mutated: AY180B |
| 181 | I | B | 0.0000 | |
| 182 | S | B | 0.0000 | |
| 183 | L | B | 0.0000 | |
| 184 | D | B | -0.6074 | |
| 185 | L | B | 0.0000 | |
| 186 | M | B | 0.0000 | |
| 187 | T | B | -0.1824 | |
| 188 | D | B | 0.0000 | |
| 189 | A | B | -0.4050 | |
| 190 | E | B | 0.0000 | |
| 191 | L | B | 0.0000 | |
| 192 | A | B | -0.6042 | |
| 193 | R | B | -1.5800 | |
| 194 | A | B | 0.0000 | |
| 195 | V | B | 0.0000 | |
| 196 | S | B | -0.9439 | |
| 197 | N | B | -0.6970 | |
| 198 | M | B | -0.7017 | |
| 199 | P | B | -0.4300 | |
| 200 | T | B | -0.1648 | |
| 201 | S | B | -0.3876 | |
| 202 | A | B | -0.5496 | |
| 203 | G | B | -0.6520 | |
| 204 | Q | B | 0.0000 | |
| 205 | I | B | -0.6403 | |
| 206 | K | B | -1.5030 | |
| 207 | L | B | -0.6087 | |
| 208 | M | B | 0.0000 | |
| 209 | L | B | -0.2204 | |
| 210 | E | B | -0.8622 | |
| 211 | N | B | 0.0000 | |
| 212 | R | B | -0.4121 | |
| 213 | A | B | 0.0000 | |
| 214 | M | B | 0.0000 | |
| 215 | V | B | 0.0000 | |
| 216 | R | B | 0.0000 | |
| 217 | R | B | -0.6808 | |
| 218 | K | B | 0.0000 | |
| 219 | G | B | 0.0000 | |
| 220 | F | B | 0.0000 | |
| 221 | G | B | 0.0000 | |
| 222 | I | B | 0.0000 | |
| 223 | L | B | 0.0000 | |
| 224 | I | B | 0.0000 | |
| 225 | G | B | -0.4420 | |
| 226 | V | B | 0.0608 | |
| 227 | Y | B | 0.3299 | |
| 228 | G | B | -0.1681 | |
| 229 | S | B | -0.6236 | |
| 230 | S | B | 0.0000 | |
| 231 | V | B | 0.0000 | |
| 232 | I | B | 0.0000 | |
| 233 | Y | B | 0.0000 | |
| 234 | M | B | 0.0000 | |
| 235 | V | B | 0.0000 | |
| 236 | Q | B | 0.0000 | |
| 237 | L | B | 0.0000 | |
| 238 | P | B | 0.0000 | |
| 239 | I | B | 0.2523 | |
| 240 | F | B | 0.0000 | |
| 241 | G | B | -0.0028 | |
| 242 | V | B | 0.2178 | |
| 243 | I | B | -0.3347 | |
| 244 | D | B | -1.5200 | |
| 245 | T | B | -0.7677 | |
| 246 | P | B | -0.6054 | |
| 247 | C | B | 0.0000 | |
| 248 | W | B | -0.0550 | |
| 249 | I | B | 0.0000 | |
| 250 | V | B | 0.0000 | |
| 251 | K | B | 0.0000 | |
| 252 | A | B | -0.3685 | |
| 253 | A | B | 0.0000 | |
| 254 | P | B | 0.0000 | |
| 255 | S | B | 0.0000 | |
| 256 | C | B | -0.7963 | |
| 257 | S | B | 0.0000 | |
| 258 | E | B | -3.6454 | |
| 259 | K | B | -3.4208 | |
| 260 | K | B | -3.2268 | |
| 261 | G | B | -2.7615 | |
| 262 | N | B | -3.0037 | |
| 263 | Y | B | 0.0000 | |
| 264 | A | B | 0.0000 | |
| 265 | C | B | 0.0000 | |
| 266 | L | B | 0.0000 | |
| 267 | L | B | 0.1663 | |
| 268 | R | B | 0.0000 | |
| 269 | E | B | -1.1304 | |
| 270 | D | B | -2.2342 | |
| 271 | Q | B | -1.7020 | |
| 272 | G | B | 0.0000 | |
| 273 | W | B | 0.0000 | |
| 274 | Y | B | 0.0000 | |
| 275 | C | B | 0.0000 | |
| 276 | Q | B | -0.8514 | |
| 277 | N | B | -0.5827 | |
| 278 | A | B | -0.4893 | |
| 279 | G | B | -0.5591 | |
| 280 | S | B | -0.8352 | |
| 281 | T | B | 0.0000 | |
| 282 | V | B | 0.0000 | |
| 283 | Y | B | 0.2753 | |
| 284 | Y | B | 0.0000 | |
| 285 | P | B | -1.4920 | |
| 286 | N | B | -2.5750 | |
| 287 | E | B | -2.1964 | |
| 288 | K | B | -2.7044 | |
| 289 | D | B | -1.8545 | |
| 290 | C | B | 0.0000 | |
| 291 | E | B | -1.1860 | |
| 292 | T | B | -1.3048 | |
| 293 | R | B | -1.4464 | |
| 294 | G | B | -1.6218 | |
| 295 | D | B | -1.7434 | |
| 296 | H | B | -1.2548 | |
| 297 | V | B | 0.0000 | |
| 298 | F | B | 0.0000 | |
| 299 | C | B | 0.0000 | |
| 300 | D | B | -0.6073 | |
| 301 | T | B | 0.0000 | |
| 302 | A | B | 0.1099 | |
| 303 | A | B | 0.1823 | |
| 304 | G | B | 0.0837 | |
| 305 | I | B | 0.6889 | |
| 306 | N | B | 0.0000 | |
| 307 | V | B | -0.0306 | |
| 308 | A | B | -0.9669 | |
| 309 | E | B | -2.2455 | |
| 310 | Q | B | -1.4698 | |
| 311 | S | B | 0.0000 | |
| 312 | K | B | -1.5013 | |
| 313 | E | B | -1.4851 | |
| 314 | C | B | 0.0000 | |
| 315 | N | B | -0.8084 | |
| 316 | I | B | -0.6042 | |
| 317 | N | B | 0.0000 | |
| 318 | I | B | -0.3902 | |
| 319 | S | B | -0.5172 | |
| 320 | T | B | -0.3485 | |
| 321 | T | B | -0.4199 | |
| 322 | N | B | 0.0000 | |
| 323 | Y | B | -0.3380 | |
| 324 | P | B | -0.4059 | |
| 325 | C | B | 0.0000 | |
| 326 | K | B | -0.4554 | |
| 327 | V | B | 0.0000 | |
| 328 | S | B | -0.1534 | |
| 329 | T | B | 0.0000 | |
| 330 | G | B | -0.6326 | |
| 331 | R | B | -1.5064 | |
| 332 | N | B | -2.2173 | |
| 333 | P | B | -0.9627 | |
| 334 | I | B | -0.2018 | |
| 335 | S | B | 0.0000 | |
| 336 | M | B | 0.7211 | |
| 337 | V | B | 0.7283 | |
| 338 | A | B | 0.3825 | |
| 339 | L | B | 0.3931 | |
| 340 | S | B | 0.0000 | |
| 341 | P | B | -0.3460 | |
| 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 | -1.4406 | |
| 350 | K | B | -2.8173 | |
| 351 | G | B | -1.4798 | |
| 352 | V | B | 0.0000 | |
| 353 | S | B | -0.9288 | |
| 354 | C | B | 0.0000 | |
| 355 | S | B | -0.8902 | |
| 356 | I | B | 0.0000 | |
| 357 | G | B | -0.4659 | |
| 358 | S | B | 0.0000 | |
| 359 | N | B | -1.5673 | |
| 360 | R | B | -2.0810 | |
| 361 | V | B | -0.0490 | |
| 362 | G | B | -0.1610 | |
| 363 | I | B | 0.7007 | |
| 364 | I | B | 1.1498 | |
| 365 | K | B | -1.2859 | |
| 366 | Q | B | -1.8548 | |
| 367 | L | B | 0.0000 | |
| 368 | N | B | -2.3451 | |
| 369 | K | B | -2.6328 | |
| 370 | G | B | -1.6941 | |
| 371 | C | B | -0.5911 | |
| 372 | S | B | -0.7071 | |
| 373 | Y | B | 0.0524 | |
| 374 | I | B | 0.0000 | |
| 375 | T | B | -1.3729 | |
| 376 | N | B | 0.0000 | |
| 377 | Q | B | -2.3954 | |
| 378 | D | B | -2.2577 | |
| 379 | A | B | 0.0000 | |
| 380 | D | B | 0.0000 | |
| 381 | T | B | -0.6789 | |
| 382 | V | B | 0.0000 | |
| 383 | T | B | -0.3878 | |
| 384 | I | B | 0.0000 | |
| 385 | D | B | -1.8526 | |
| 386 | N | B | -0.8564 | |
| 387 | T | B | 0.0000 | |
| 388 | V | B | 0.1643 | |
| 389 | Y | B | 0.0000 | |
| 390 | Q | B | 0.0000 | |
| 391 | L | B | 0.0000 | |
| 392 | S | B | -0.7897 | |
| 393 | K | B | -1.5400 | |
| 394 | V | B | -1.1252 | |
| 395 | E | B | -2.4012 | |
| 396 | G | B | -2.0933 | |
| 397 | E | B | -2.5283 | |
| 398 | Q | B | -1.7368 | |
| 399 | H | B | -0.7888 | |
| 400 | V | B | 0.2755 | |
| 401 | I | B | -0.0961 | |
| 402 | K | B | -1.7937 | |
| 403 | G | B | -1.7507 | |
| 404 | R | B | -2.3539 | |
| 405 | P | B | -1.4508 | |
| 406 | V | B | 0.0000 | |
| 407 | S | B | 0.0000 | |
| 408 | S | B | -1.2985 | |
| 409 | S | B | -0.7985 | |
| 410 | F | B | 0.0000 | |
| 411 | D | B | -1.2145 | |
| 412 | P | B | 0.0000 | |
| 413 | V | B | 0.2565 | |
| 414 | K | B | -0.5787 | |
| 415 | F | B | 0.0000 | |
| 416 | P | B | -0.1217 | |
| 417 | P | B | 0.0000 | mutated: QP417B |
| 418 | D | B | -0.1936 | |
| 419 | Q | B | 0.0000 | |
| 420 | F | B | 0.9462 | |
| 421 | N | B | 0.2583 | |
| 422 | V | B | 0.0000 | |
| 423 | A | B | 0.0000 | |
| 424 | L | B | 0.0000 | |
| 425 | P | B | 0.1670 | |
| 426 | Q | B | 0.0000 | |
| 427 | V | B | 0.0000 | |
| 428 | F | B | 0.0174 | |
| 429 | E | B | -1.0973 | |
| 430 | N | B | -1.0235 | |
| 431 | I | B | -0.8431 | |
| 432 | E | B | -1.9286 | |
| 433 | N | B | -1.6234 | |
| 434 | S | B | -1.1712 | |
| 435 | Q | B | -1.8988 | |
| 436 | A | B | -1.8160 | |
| 437 | W | B | -0.9518 | |
| 438 | V | B | -1.4155 | |
| 439 | D | B | -2.8278 | |
| 440 | K | B | -2.1166 | |
| 441 | F | B | 0.0000 | |
| 442 | N | B | -2.5309 | |
| 443 | R | B | -2.9788 | |
| 444 | I | B | 0.0000 | |
| 445 | L | B | -1.4819 | |
| 446 | S | B | -1.9864 | |
| 447 | S | B | -2.3556 | |
| 448 | A | B | -2.0290 | |
| 449 | E | B | -2.9966 | |
| 450 | K | B | -2.9332 | |
| 451 | G | B | -2.7146 | |
| 452 | N | B | -2.1920 | |
| 453 | T | B | -1.4525 | |
| 1 | L | C | -0.5871 | |
| 2 | K | C | -1.3109 | |
| 3 | E | C | 0.0000 | |
| 4 | S | C | -0.1388 | |
| 5 | Y | C | 0.0000 | |
| 6 | L | C | 0.0000 | |
| 7 | E | C | -1.4892 | |
| 8 | E | C | -1.4814 | |
| 9 | S | C | 0.0000 | |
| 10 | C | C | 0.0000 | |
| 11 | S | C | 0.0000 | |
| 12 | T | C | 0.0000 | |
| 13 | I | C | 0.0000 | |
| 14 | T | C | 0.0000 | |
| 15 | E | C | -0.5801 | |
| 16 | G | C | -0.3459 | |
| 17 | Y | C | -0.6517 | |
| 18 | L | C | -0.6377 | |
| 19 | S | C | 0.0000 | |
| 20 | V | C | 0.0000 | |
| 21 | L | C | 0.0000 | |
| 22 | R | C | 0.0000 | |
| 23 | T | C | 0.0005 | |
| 24 | G | C | -0.2049 | |
| 25 | W | C | -0.0855 | |
| 26 | Y | C | -0.2888 | |
| 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 | -1.5200 | |
| 34 | V | C | 0.0000 | |
| 35 | G | C | -1.6963 | |
| 36 | D | C | -2.0543 | |
| 37 | V | C | 0.0000 | |
| 38 | E | C | -3.0378 | |
| 39 | N | C | -2.6196 | |
| 40 | L | C | 0.0000 | |
| 41 | T | C | -2.5334 | |
| 42 | C | C | 0.0000 | |
| 43 | A | C | -2.4169 | |
| 44 | D | C | -2.6223 | |
| 45 | G | C | -1.5371 | |
| 46 | P | C | -1.0104 | |
| 47 | S | C | -0.8241 | |
| 48 | L | C | -0.6185 | |
| 49 | I | C | 0.0000 | |
| 50 | K | C | -0.8560 | |
| 51 | T | C | -0.6699 | |
| 52 | E | C | 0.0000 | |
| 53 | L | C | 0.0000 | |
| 54 | D | C | -1.5497 | |
| 55 | L | C | -0.8300 | |
| 56 | T | C | 0.0000 | |
| 57 | K | C | -2.6063 | |
| 58 | S | C | -1.8682 | |
| 59 | A | C | 0.0000 | |
| 60 | L | C | -1.2329 | |
| 61 | R | C | -2.3520 | |
| 62 | E | C | 0.0000 | |
| 63 | L | C | 0.0000 | |
| 64 | K | C | -1.8175 | |
| 65 | T | C | 0.0000 | |
| 66 | V | C | 0.0000 | |
| 67 | S | C | -0.8525 | |
| 68 | A | C | -0.6572 | |
| 69 | D | C | -0.9695 | |
| 70 | Q | C | 0.0000 | |
| 71 | L | C | 0.1812 | |
| 72 | G | C | 0.0000 | |
| 73 | G | C | -0.6994 | |
| 74 | G | C | -0.7676 | |
| 75 | G | C | -0.7226 | |
| 76 | S | C | -0.5941 | |
| 77 | A | C | -0.4414 | |
| 78 | T | C | -0.4671 | |
| 79 | A | C | -0.1494 | |
| 80 | A | C | 0.2429 | |
| 81 | A | C | 0.0000 | |
| 82 | V | C | 0.2102 | |
| 83 | T | C | 0.2495 | |
| 84 | A | C | 0.0000 | |
| 85 | G | C | 0.0000 | |
| 86 | V | C | 0.1864 | |
| 87 | A | C | 0.0000 | |
| 88 | I | C | 0.0000 | |
| 89 | A | C | 0.0000 | |
| 90 | K | C | -1.0600 | |
| 91 | C | C | -0.7189 | |
| 92 | I | C | 0.0000 | |
| 93 | R | C | -1.7905 | |
| 94 | L | C | -0.4936 | |
| 95 | P | C | -0.7477 | |
| 96 | S | C | -0.7687 | |
| 97 | E | C | -1.2931 | |
| 98 | V | C | -1.0294 | |
| 99 | T | C | -0.9736 | |
| 100 | A | C | -0.8696 | |
| 101 | I | C | 0.0000 | |
| 102 | K | C | -1.8241 | |
| 103 | N | C | -2.4744 | |
| 104 | A | C | -1.8204 | |
| 105 | L | C | -2.5203 | |
| 106 | K | C | -3.4852 | |
| 107 | K | C | -3.3401 | |
| 108 | T | C | -2.6266 | |
| 109 | N | C | -2.7275 | |
| 110 | E | C | -2.2438 | |
| 111 | A | C | -0.5484 | |
| 112 | V | C | 1.3268 | |
| 113 | S | C | 0.7080 | |
| 114 | T | C | 0.4139 | |
| 115 | L | C | 0.3577 | |
| 116 | G | C | -0.4806 | |
| 117 | C | C | -0.7016 | |
| 118 | G | C | -0.6960 | |
| 119 | V | C | 0.0000 | |
| 120 | R | C | -0.3834 | |
| 121 | V | C | 0.0000 | |
| 122 | L | C | 0.0000 | |
| 123 | A | C | 0.0000 | |
| 124 | T | C | 0.0000 | |
| 125 | A | C | -1.2539 | |
| 126 | V | C | -1.0744 | |
| 127 | P | C | -1.8029 | |
| 128 | E | C | -2.3043 | |
| 129 | L | C | 0.0000 | |
| 130 | K | C | -2.6462 | |
| 131 | D | C | -3.1833 | |
| 132 | F | C | -1.8634 | |
| 133 | V | C | 0.0000 | |
| 134 | S | C | -2.3962 | |
| 135 | K | C | -2.5486 | |
| 136 | N | C | -2.3074 | |
| 137 | L | C | 0.0000 | |
| 138 | T | C | -2.5105 | |
| 139 | R | C | -2.8651 | |
| 140 | A | C | -2.4558 | |
| 141 | I | C | 0.0000 | |
| 142 | N | C | -3.5801 | |
| 143 | K | C | -3.6319 | |
| 144 | N | C | -3.4782 | |
| 145 | K | C | -3.9249 | |
| 146 | C | C | 0.0000 | |
| 147 | D | C | -3.1491 | |
| 148 | I | C | 0.0000 | |
| 149 | P | C | -1.8843 | |
| 150 | D | C | -1.8664 | |
| 151 | L | C | 0.0000 | |
| 152 | K | C | -1.1234 | |
| 153 | M | C | -0.7249 | |
| 154 | A | C | 0.0000 | |
| 155 | V | C | 0.0000 | |
| 156 | S | C | -0.2810 | |
| 157 | F | C | 0.0000 | |
| 158 | S | C | -0.1306 | |
| 159 | Q | C | -0.3402 | |
| 160 | F | C | 0.0000 | |
| 161 | N | C | 0.0000 | |
| 162 | R | C | -0.4923 | |
| 163 | R | C | 0.0000 | |
| 164 | F | C | 0.0000 | |
| 165 | L | C | 0.1307 | |
| 166 | N | C | -0.1044 | |
| 167 | V | C | 0.0000 | |
| 168 | V | C | 0.0000 | |
| 169 | Y | C | 0.2650 | mutated: RY169C |
| 170 | Q | C | 0.0000 | |
| 171 | F | C | 0.0000 | |
| 172 | I | C | 0.0000 | mutated: SI172C |
| 173 | H | C | -0.1261 | mutated: DH173C |
| 174 | Y | C | -0.0009 | mutated: NY174C |
| 175 | A | C | 0.0000 | |
| 176 | G | C | 0.0000 | |
| 177 | I | C | 0.0000 | |
| 178 | T | C | 0.0000 | |
| 179 | P | C | -0.2062 | |
| 180 | Y | C | 0.0000 | mutated: AY180C |
| 181 | I | C | 0.0000 | |
| 182 | S | C | 0.0000 | |
| 183 | L | C | 0.0000 | |
| 184 | D | C | 0.0000 | |
| 185 | L | C | 0.0000 | |
| 186 | M | C | 0.0000 | |
| 187 | T | C | -0.1939 | |
| 188 | D | C | 0.0000 | |
| 189 | A | C | -0.7268 | |
| 190 | E | C | -0.9613 | |
| 191 | L | C | 0.0000 | |
| 192 | A | C | -1.0508 | |
| 193 | R | C | -2.2100 | |
| 194 | A | C | 0.0000 | |
| 195 | V | C | 0.0000 | |
| 196 | S | C | -1.2878 | |
| 197 | N | C | -1.7393 | |
| 198 | M | C | 0.0000 | |
| 199 | P | C | -0.5975 | |
| 200 | T | C | -0.4345 | |
| 201 | S | C | -0.4185 | |
| 202 | A | C | -0.3842 | |
| 203 | G | C | -0.3829 | |
| 204 | Q | C | 0.0000 | |
| 205 | I | C | -0.2214 | |
| 206 | K | C | -0.6086 | |
| 207 | L | C | 0.0299 | |
| 208 | M | C | 0.0000 | |
| 209 | L | C | 0.1847 | |
| 210 | E | C | -0.3888 | |
| 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 | -0.1901 | |
| 218 | K | C | 0.0000 | |
| 219 | G | C | 0.0000 | |
| 220 | F | C | 0.0000 | |
| 221 | G | C | 0.0000 | |
| 222 | I | C | 0.0000 | |
| 223 | L | C | 0.0000 | |
| 224 | I | C | 0.0113 | |
| 225 | G | C | -0.0629 | |
| 226 | V | C | 0.2187 | |
| 227 | Y | C | 0.7437 | |
| 228 | G | C | -0.5972 | |
| 229 | S | C | -0.9450 | |
| 230 | S | C | 0.0746 | |
| 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 | -0.0073 | |
| 242 | V | C | -0.0260 | |
| 243 | I | C | -0.4029 | |
| 244 | D | C | -1.4604 | |
| 245 | T | C | -0.8006 | |
| 246 | P | C | -0.6167 | |
| 247 | C | C | 0.0000 | |
| 248 | W | C | -0.1127 | |
| 249 | I | C | 0.0000 | |
| 250 | V | C | 0.0000 | |
| 251 | K | C | -0.4143 | |
| 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 | -2.6098 | |
| 259 | K | C | -3.5030 | |
| 260 | K | C | -3.1251 | |
| 261 | G | C | -2.1920 | |
| 262 | N | C | -2.0850 | |
| 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 | 0.0000 | |
| 270 | D | C | -1.0923 | |
| 271 | Q | C | -1.3486 | |
| 272 | G | C | 0.0000 | |
| 273 | W | C | 0.0000 | |
| 274 | Y | C | 0.0000 | |
| 275 | C | C | 0.0000 | |
| 276 | Q | C | -0.7290 | |
| 277 | N | C | -0.9890 | |
| 278 | A | C | -0.6466 | |
| 279 | G | C | -0.8490 | |
| 280 | S | C | -0.8308 | |
| 281 | T | C | 0.0000 | |
| 282 | V | C | 0.0000 | |
| 283 | Y | C | 0.1549 | |
| 284 | Y | C | -0.7056 | |
| 285 | P | C | -1.7830 | |
| 286 | N | C | -2.7076 | |
| 287 | E | C | -3.4393 | |
| 288 | K | C | -3.1751 | |
| 289 | D | C | -2.0899 | |
| 290 | C | C | 0.0000 | |
| 291 | E | C | 0.0000 | |
| 292 | T | C | -0.9854 | |
| 293 | R | C | -1.4140 | |
| 294 | G | C | -1.6371 | |
| 295 | D | C | -1.9792 | |
| 296 | H | C | 0.0000 | |
| 297 | V | C | 0.0000 | |
| 298 | F | C | 0.0000 | |
| 299 | C | C | 0.0000 | |
| 300 | D | C | -0.4243 | |
| 301 | T | C | 0.0000 | |
| 302 | A | C | 0.1693 | |
| 303 | A | C | -0.0475 | |
| 304 | G | C | 0.0000 | |
| 305 | I | C | 0.8376 | |
| 306 | N | C | 0.0000 | |
| 307 | V | C | 0.0000 | |
| 308 | A | C | -0.4081 | |
| 309 | E | C | -0.9553 | |
| 310 | Q | C | -1.1657 | |
| 311 | S | C | -0.6482 | |
| 312 | K | C | 0.0000 | |
| 313 | E | C | -0.4338 | |
| 314 | C | C | 0.0000 | |
| 315 | N | C | 0.0000 | |
| 316 | I | C | 1.0214 | |
| 317 | N | C | 0.0000 | |
| 318 | I | C | 1.4830 | |
| 319 | S | C | 0.3532 | |
| 320 | T | C | 0.2252 | |
| 321 | T | C | 0.0856 | |
| 322 | N | C | -0.8001 | |
| 323 | Y | C | 0.0000 | |
| 324 | P | C | -1.0006 | |
| 325 | C | C | 0.0000 | |
| 326 | K | C | -0.4693 | |
| 327 | V | C | 0.0000 | |
| 328 | S | C | 0.1019 | |
| 329 | T | C | 0.0000 | |
| 330 | G | C | -0.2358 | |
| 331 | R | C | -0.7180 | |
| 332 | N | C | -0.3884 | |
| 333 | P | C | 0.0517 | |
| 334 | I | C | 0.4346 | |
| 335 | S | C | 0.0000 | |
| 336 | M | C | 0.6854 | |
| 337 | V | C | 0.0000 | |
| 338 | A | C | 0.3028 | |
| 339 | L | C | 0.4948 | |
| 340 | S | C | 0.0000 | |
| 341 | P | C | -0.2248 | |
| 342 | L | C | -0.7276 | |
| 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 | -1.2784 | |
| 350 | K | C | -3.0083 | |
| 351 | G | C | -1.4769 | |
| 352 | V | C | -0.6376 | |
| 353 | S | C | -1.5793 | |
| 354 | C | C | 0.0000 | |
| 355 | S | C | -1.0054 | |
| 356 | I | C | 0.0000 | |
| 357 | G | C | -0.1635 | |
| 358 | S | C | -0.3755 | |
| 359 | N | C | -0.9517 | |
| 360 | R | C | -1.7919 | |
| 361 | V | C | 0.1473 | |
| 362 | G | C | 0.0208 | |
| 363 | I | C | 0.7143 | |
| 364 | I | C | 1.3886 | |
| 365 | K | C | -0.7261 | |
| 366 | Q | C | -1.6700 | |
| 367 | L | C | -1.7310 | |
| 368 | N | C | -2.9712 | |
| 369 | K | C | -2.8002 | |
| 370 | G | C | 0.0000 | |
| 371 | C | C | -1.0129 | |
| 372 | S | C | -0.7283 | |
| 373 | Y | C | 0.1146 | |
| 374 | I | C | 0.4231 | |
| 375 | T | C | -0.3386 | |
| 376 | N | C | 0.0000 | |
| 377 | Q | C | -1.3705 | |
| 378 | D | C | -0.8281 | |
| 379 | A | C | 0.0000 | |
| 380 | D | C | 0.0000 | |
| 381 | T | C | -0.2400 | |
| 382 | V | C | 0.0000 | |
| 383 | T | C | -0.4917 | |
| 384 | I | C | 0.0000 | |
| 385 | D | C | -1.7386 | |
| 386 | N | C | -0.7510 | |
| 387 | T | C | 0.0000 | |
| 388 | V | C | 0.2674 | |
| 389 | Y | C | 0.4406 | |
| 390 | Q | C | 0.0496 | |
| 391 | L | C | 0.0000 | |
| 392 | S | C | -0.5864 | |
| 393 | K | C | -1.3581 | |
| 394 | V | C | -0.8608 | |
| 395 | E | C | -1.9757 | |
| 396 | G | C | -1.9143 | |
| 397 | E | C | -2.1636 | |
| 398 | Q | C | -1.5486 | |
| 399 | H | C | -0.6094 | |
| 400 | V | C | 1.0456 | |
| 401 | I | C | 0.5523 | |
| 402 | K | C | -1.2437 | |
| 403 | G | C | 0.0000 | |
| 404 | R | C | 0.0000 | |
| 405 | P | C | -0.6614 | |
| 406 | V | C | 0.0000 | |
| 407 | S | C | 0.0000 | |
| 408 | S | C | -1.1763 | |
| 409 | S | C | -0.6181 | |
| 410 | F | C | -0.7310 | |
| 411 | D | C | -2.3361 | |
| 412 | P | C | -1.6912 | |
| 413 | V | C | 0.0000 | |
| 414 | K | C | -1.3779 | |
| 415 | F | C | 0.0000 | |
| 416 | P | C | -0.3366 | |
| 417 | P | C | 0.0000 | mutated: QP417C |
| 418 | D | C | -0.2869 | |
| 419 | Q | C | 0.0000 | |
| 420 | F | C | 1.6088 | |
| 421 | N | C | 0.6430 | |
| 422 | V | C | 0.0000 | |
| 423 | A | C | 0.0000 | |
| 424 | L | C | 0.0000 | |
| 425 | P | C | -0.1769 | |
| 426 | Q | C | -0.3877 | |
| 427 | V | C | 0.0000 | |
| 428 | F | C | 0.4060 | |
| 429 | E | C | -0.9907 | |
| 430 | N | C | 0.0000 | |
| 431 | I | C | -0.2488 | |
| 432 | E | C | -1.7370 | |
| 433 | N | C | -1.6060 | |
| 434 | S | C | -1.0537 | |
| 435 | Q | C | -2.0701 | |
| 436 | A | C | -1.9698 | |
| 437 | W | C | -1.0100 | |
| 438 | V | C | -1.2787 | |
| 439 | D | C | -3.1355 | |
| 440 | K | C | -2.9230 | |
| 441 | F | C | 0.0000 | |
| 442 | N | C | -2.8448 | |
| 443 | R | C | -3.1612 | |
| 444 | I | C | 0.0000 | |
| 445 | L | C | -1.9323 | |
| 446 | S | C | -2.3321 | |
| 447 | S | C | -2.3394 | |
| 448 | A | C | -2.6267 | |
| 449 | E | C | -3.0022 | |
| 450 | K | C | -2.9271 | |
| 451 | G | C | -2.3505 | |
| 452 | N | C | -2.1734 | |
| 453 | T | C | -1.2682 |
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, -0.636 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_0 | -0.636 | View | CSV | PDB |
| model_2 | -0.6373 | View | CSV | PDB |
| model_9 | -0.6384 | View | CSV | PDB |
| model_8 | -0.6429 | View | CSV | PDB |
| model_1 | -0.6479 | View | CSV | PDB |
| model_7 | -0.651 | View | CSV | PDB |
| input | -0.651 | View | CSV | PDB |
| model_4 | -0.6517 | View | CSV | PDB |
| model_5 | -0.656 | View | CSV | PDB |
| CABS_average | -0.6594 | View | CSV | PDB |
| model_3 | -0.6702 | View | CSV | PDB |
| model_10 | -0.688 | View | CSV | PDB |
| model_6 | -0.6941 | View | CSV | PDB |
| model_11 | -0.6994 | 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