Project name: MPV_sd_205Y208I209H1210Y216Y_453P [mutate: TC91A, NC117A, TC91C, NC117C, TC91B, NC117B, RY169A, RY169C, RY169B, SI172A, SI172C, SI172B, DH173A, DH173C, DH173B, NY174A, NY174C, NY174B, AY180A, AY180C, AY180B, EP417A, EP417C, EP417B]
Status: done
Started: 2025-12-12 08:32:47
| 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 | SI172B,DH173B,AY180C,NY174B,NC117B,NY174A,DH173A,SI172A,TC91A,TC91C,AY180B,NC117A,DH173C,SI172C,NY174C,NC117C,AY180A,RY169B,EP417B,EP417A,TC91B,RY169A,EP417C,RY169C |
| Energy difference between WT (input) and mutated protein (by FoldX) | -0.510852 kcal/mol |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] FoldX: Building mutant model (00:31:17)
[INFO] CABS: Running CABS flex simulation (01:13:55)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (10:45:30)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (10:46:00)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (10:46:30)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (10:47:00)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (10:47:30)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (10:48:00)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (10:48:31)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (10:49:00)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (10:49:30)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (10:50:00)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (10:50:30)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (10:51:00)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (10:51:29)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (10:52:30)
[INFO] Main: Simulation completed successfully. (10:52:59)
|
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
- -4.4736
- Maximal score value
- 2.2463
- Average score
- -0.6247
- Total score value
- -849.035
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 | -0.1485 | |
| 2 | K | A | -1.4462 | |
| 3 | E | A | 0.0000 | |
| 4 | S | A | -0.0161 | |
| 5 | Y | A | 0.0000 | |
| 6 | L | A | 0.5342 | |
| 7 | E | A | 0.0000 | |
| 8 | E | A | -0.3598 | |
| 9 | S | A | 0.0000 | |
| 10 | C | A | 0.0000 | |
| 11 | S | A | 0.0000 | |
| 12 | T | A | 0.0000 | |
| 13 | I | A | -0.1734 | |
| 14 | T | A | 0.0000 | |
| 15 | E | A | -0.6024 | |
| 16 | G | A | -0.3214 | |
| 17 | Y | A | -0.4975 | |
| 18 | L | A | -0.6380 | |
| 19 | S | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | R | A | 0.0000 | |
| 23 | T | A | 0.0000 | |
| 24 | G | A | 0.0687 | |
| 25 | W | A | 0.0356 | |
| 26 | Y | A | -0.2458 | |
| 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 | -1.2660 | |
| 34 | V | A | 0.0000 | |
| 35 | G | A | -1.4656 | |
| 36 | D | A | -1.6406 | |
| 37 | V | A | 0.0000 | |
| 38 | E | A | -1.7653 | |
| 39 | N | A | -2.2652 | |
| 40 | L | A | 0.0000 | |
| 41 | T | A | -2.1813 | |
| 42 | C | A | 0.0000 | |
| 43 | A | A | -2.7043 | |
| 44 | D | A | -2.9395 | |
| 45 | G | A | -2.5263 | |
| 46 | P | A | -1.5415 | |
| 47 | S | A | -1.1032 | |
| 48 | L | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | K | A | -2.0444 | |
| 51 | T | A | -1.2745 | |
| 52 | E | A | 0.0000 | |
| 53 | L | A | -1.7074 | |
| 54 | D | A | -2.4640 | |
| 55 | L | A | -1.3729 | |
| 56 | T | A | 0.0000 | |
| 57 | K | A | -1.9215 | |
| 58 | S | A | -1.5729 | |
| 59 | A | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | R | A | -1.9704 | |
| 62 | E | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -1.7365 | |
| 65 | T | A | 0.0000 | |
| 66 | V | A | 0.0000 | |
| 67 | S | A | -0.9903 | |
| 68 | A | A | -1.0267 | |
| 69 | D | A | 0.0000 | |
| 70 | Q | A | -1.2058 | |
| 71 | L | A | -0.1008 | |
| 72 | G | A | -0.3918 | |
| 73 | G | A | -0.3314 | |
| 74 | G | A | -0.0839 | |
| 75 | G | A | -0.5113 | |
| 76 | S | A | -0.3050 | |
| 77 | A | A | 0.0281 | |
| 78 | T | A | 0.1327 | |
| 79 | A | A | 0.1162 | |
| 80 | A | A | 0.0000 | |
| 81 | A | A | 0.5792 | |
| 82 | V | A | 1.0528 | |
| 83 | T | A | 0.5961 | |
| 84 | A | A | 0.0000 | |
| 85 | G | A | 0.0000 | |
| 86 | V | A | 0.4020 | |
| 87 | A | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | A | A | -0.2231 | |
| 90 | K | A | -0.8457 | |
| 91 | C | A | 0.0000 | mutated: TC91A |
| 92 | I | A | 0.0000 | |
| 93 | R | A | -1.9547 | |
| 94 | L | A | -0.9329 | |
| 95 | E | A | -1.9205 | |
| 96 | S | A | -1.2966 | |
| 97 | E | A | -1.3355 | |
| 98 | V | A | -1.3844 | |
| 99 | T | A | -1.4599 | |
| 100 | A | A | -1.3008 | |
| 101 | I | A | 0.0000 | |
| 102 | K | A | -2.7840 | |
| 103 | N | A | -2.9912 | |
| 104 | A | A | -2.2788 | |
| 105 | L | A | 0.0000 | |
| 106 | K | A | -3.7314 | |
| 107 | K | A | -3.5341 | |
| 108 | T | A | -2.4204 | |
| 109 | N | A | -2.5478 | |
| 110 | E | A | -1.6729 | |
| 111 | A | A | -0.3410 | |
| 112 | V | A | 1.1715 | |
| 113 | S | A | 0.1757 | |
| 114 | T | A | -0.5738 | |
| 115 | L | A | 0.0000 | |
| 116 | G | A | -1.0255 | |
| 117 | C | A | -1.3692 | mutated: NC117A |
| 118 | G | A | -1.4588 | |
| 119 | V | A | -1.1235 | |
| 120 | R | A | -1.5476 | |
| 121 | V | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | A | A | 0.0000 | |
| 124 | T | A | 0.0000 | |
| 125 | A | A | -1.4362 | |
| 126 | V | A | 0.0000 | |
| 127 | R | A | -1.5334 | |
| 128 | E | A | -1.5952 | |
| 129 | L | A | 0.0000 | |
| 130 | K | A | -1.8649 | |
| 131 | D | A | -2.1674 | |
| 132 | F | A | -1.4524 | |
| 133 | V | A | 0.0000 | |
| 134 | S | A | -2.1125 | |
| 135 | K | A | -2.7424 | |
| 136 | N | A | -2.5054 | |
| 137 | L | A | 0.0000 | |
| 138 | T | A | -2.4884 | |
| 139 | R | A | -3.8044 | |
| 140 | A | A | 0.0000 | |
| 141 | I | A | 0.0000 | |
| 142 | N | A | -4.2166 | |
| 143 | K | A | -4.0964 | |
| 144 | N | A | -3.9509 | |
| 145 | K | A | -4.4736 | |
| 146 | C | A | -3.9801 | |
| 147 | D | A | -4.2088 | |
| 148 | I | A | 0.0000 | |
| 149 | D | A | -3.8928 | |
| 150 | D | A | -3.6269 | |
| 151 | L | A | 0.0000 | |
| 152 | K | A | -2.3900 | |
| 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 | -0.3872 | |
| 159 | Q | A | 0.0000 | |
| 160 | F | A | 0.0000 | |
| 161 | N | A | 0.0000 | |
| 162 | R | A | -1.1328 | |
| 163 | R | A | -1.0282 | |
| 164 | F | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | N | A | -0.8524 | |
| 167 | V | A | 0.0000 | |
| 168 | V | A | 0.0000 | |
| 169 | Y | A | -0.1940 | mutated: RY169A |
| 170 | Q | A | -0.0544 | |
| 171 | F | A | 0.0000 | |
| 172 | I | A | 0.0000 | mutated: SI172A |
| 173 | H | A | 0.0666 | mutated: DH173A |
| 174 | Y | A | 0.5957 | 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 | -0.1328 | |
| 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 | -0.5027 | |
| 185 | L | A | 0.0000 | |
| 186 | M | A | 0.0000 | |
| 187 | T | A | -0.3310 | |
| 188 | D | A | -0.7451 | |
| 189 | A | A | -0.6921 | |
| 190 | E | A | -1.0380 | |
| 191 | L | A | 0.0000 | |
| 192 | A | A | -1.1205 | |
| 193 | R | A | -2.2684 | |
| 194 | A | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | S | A | -1.3812 | |
| 197 | N | A | -1.3358 | |
| 198 | M | A | 0.0000 | |
| 199 | P | A | -0.3583 | |
| 200 | T | A | -0.3057 | |
| 201 | S | A | -0.4727 | |
| 202 | A | A | -0.5343 | |
| 203 | G | A | -0.9687 | |
| 204 | Q | A | 0.0000 | |
| 205 | I | A | -0.7602 | |
| 206 | K | A | -1.7857 | |
| 207 | L | A | 0.0000 | |
| 208 | M | A | 0.0000 | |
| 209 | L | A | -0.5474 | |
| 210 | E | A | -1.7579 | |
| 211 | N | A | 0.0000 | |
| 212 | R | A | -0.6709 | |
| 213 | A | A | 0.0000 | |
| 214 | M | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | R | A | 0.0000 | |
| 217 | R | A | -0.5270 | |
| 218 | K | A | -0.4441 | |
| 219 | G | A | 0.0000 | |
| 220 | F | A | 0.0000 | |
| 221 | G | A | 0.0000 | |
| 222 | I | A | 0.4305 | |
| 223 | L | A | 0.0000 | |
| 224 | I | A | 0.0000 | |
| 225 | G | A | -0.4449 | |
| 226 | V | A | 0.0000 | |
| 227 | Y | A | 0.6735 | |
| 228 | G | A | -0.2345 | |
| 229 | S | A | -0.6181 | |
| 230 | S | A | -0.3194 | |
| 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 | 0.0616 | |
| 242 | V | A | 0.1341 | |
| 243 | I | A | -0.4472 | |
| 244 | D | A | -1.5752 | |
| 245 | T | A | 0.0000 | |
| 246 | P | A | -0.6310 | |
| 247 | C | A | 0.0000 | |
| 248 | W | A | -0.0575 | |
| 249 | I | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | K | A | 0.0000 | |
| 252 | A | A | -0.0994 | |
| 253 | A | A | 0.0000 | |
| 254 | P | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | C | A | 0.0000 | |
| 257 | S | A | 0.0000 | |
| 258 | E | A | -2.9912 | |
| 259 | K | A | -3.1467 | |
| 260 | K | A | -2.8989 | |
| 261 | G | A | -2.1717 | |
| 262 | N | A | -2.3658 | |
| 263 | Y | A | -1.6878 | |
| 264 | A | A | 0.0000 | |
| 265 | C | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | L | A | 0.1952 | |
| 268 | R | A | 0.0000 | |
| 269 | E | A | -0.4678 | |
| 270 | D | A | -0.8771 | |
| 271 | Q | A | -1.1636 | |
| 272 | G | A | 0.0000 | |
| 273 | W | A | 0.0000 | |
| 274 | Y | A | 0.0000 | |
| 275 | C | A | 0.0000 | |
| 276 | Q | A | -0.8306 | |
| 277 | N | A | -0.7799 | |
| 278 | A | A | -0.5662 | |
| 279 | G | A | -0.7403 | |
| 280 | S | A | 0.0000 | |
| 281 | T | A | -0.6960 | |
| 282 | V | A | 0.0000 | |
| 283 | Y | A | 0.0307 | |
| 284 | Y | A | -0.2424 | |
| 285 | P | A | -0.8044 | |
| 286 | N | A | -1.4136 | |
| 287 | E | A | -1.3742 | |
| 288 | K | A | -1.6693 | |
| 289 | D | A | -1.3743 | |
| 290 | C | A | 0.0000 | |
| 291 | E | A | 0.0000 | |
| 292 | T | A | -0.8582 | |
| 293 | R | A | -1.0554 | |
| 294 | G | A | -1.5363 | |
| 295 | D | A | -1.7607 | |
| 296 | H | A | -1.2813 | |
| 297 | V | A | 0.0000 | |
| 298 | F | A | 0.0000 | |
| 299 | C | A | 0.0000 | |
| 300 | D | A | -0.3427 | |
| 301 | T | A | 0.0000 | |
| 302 | A | A | 0.0000 | |
| 303 | A | A | -0.0112 | |
| 304 | G | A | 0.0000 | |
| 305 | I | A | 0.3444 | |
| 306 | N | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | A | A | -0.7530 | |
| 309 | E | A | -1.5006 | |
| 310 | Q | A | -0.8628 | |
| 311 | S | A | 0.0000 | |
| 312 | K | A | -0.5519 | |
| 313 | E | A | 0.0000 | |
| 314 | C | A | 0.0000 | |
| 315 | N | A | 0.6440 | |
| 316 | I | A | 1.7540 | |
| 317 | N | A | 0.7513 | |
| 318 | I | A | 0.8462 | |
| 319 | S | A | 0.3928 | |
| 320 | T | A | 0.1523 | |
| 321 | T | A | 0.0262 | |
| 322 | N | A | -0.2778 | |
| 323 | Y | A | 1.0411 | |
| 324 | P | A | 0.0000 | |
| 325 | C | A | 0.0000 | |
| 326 | K | A | -0.1745 | |
| 327 | V | A | 0.0000 | |
| 328 | S | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | G | A | 0.0000 | |
| 331 | R | A | 0.0000 | |
| 332 | H | A | 0.1511 | |
| 333 | P | A | 0.2641 | |
| 334 | I | A | 0.0000 | |
| 335 | S | A | 0.0000 | |
| 336 | M | A | 0.6112 | |
| 337 | V | A | 0.6969 | |
| 338 | A | A | 0.4755 | |
| 339 | L | A | 0.4866 | |
| 340 | S | A | 0.0000 | |
| 341 | P | A | -0.9093 | |
| 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 | -1.0230 | |
| 350 | K | A | -2.1664 | |
| 351 | G | A | -1.2682 | |
| 352 | V | A | -0.6605 | |
| 353 | S | A | -1.2174 | |
| 354 | C | A | 0.0000 | |
| 355 | S | A | -0.7043 | |
| 356 | I | A | 0.0000 | |
| 357 | G | A | 0.4010 | |
| 358 | S | A | 0.0440 | |
| 359 | N | A | -0.3050 | |
| 360 | R | A | -0.5580 | |
| 361 | V | A | 1.3599 | |
| 362 | G | A | 1.2957 | |
| 363 | I | A | 2.2463 | |
| 364 | I | A | 1.9795 | |
| 365 | K | A | -0.7029 | |
| 366 | Q | A | -1.2995 | |
| 367 | L | A | -1.2883 | |
| 368 | N | A | -1.8871 | |
| 369 | K | A | -1.8281 | |
| 370 | G | A | -1.3469 | |
| 371 | C | A | 0.0000 | |
| 372 | S | A | -0.6867 | |
| 373 | Y | A | 0.0000 | |
| 374 | I | A | 0.0000 | |
| 375 | T | A | -0.4675 | |
| 376 | N | A | -1.6198 | |
| 377 | Q | A | -1.7203 | |
| 378 | D | A | -1.2789 | |
| 379 | A | A | 0.0000 | |
| 380 | D | A | -1.3007 | |
| 381 | T | A | -0.5594 | |
| 382 | V | A | 0.0000 | |
| 383 | T | A | -0.5050 | |
| 384 | I | A | 0.0000 | |
| 385 | D | A | -1.8259 | |
| 386 | N | A | -0.9798 | |
| 387 | T | A | 0.0000 | |
| 388 | V | A | -0.0493 | |
| 389 | Y | A | 0.0000 | |
| 390 | Q | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | S | A | 0.0000 | |
| 393 | K | A | -2.7931 | |
| 394 | V | A | -1.6329 | |
| 395 | E | A | -2.5311 | |
| 396 | G | A | 0.0000 | |
| 397 | E | A | -2.6943 | |
| 398 | Q | A | -1.3525 | |
| 399 | H | A | -0.3849 | |
| 400 | V | A | 1.5185 | |
| 401 | I | A | 1.2083 | |
| 402 | K | A | -0.8626 | |
| 403 | G | A | -1.2022 | |
| 404 | R | A | -1.5379 | |
| 405 | P | A | -0.8786 | |
| 406 | V | A | 0.0000 | |
| 407 | S | A | 0.0000 | |
| 408 | S | A | -1.3350 | |
| 409 | S | A | -0.8211 | |
| 410 | F | A | -0.5829 | |
| 411 | D | A | -1.8865 | |
| 412 | P | A | -1.1531 | |
| 413 | V | A | 0.0000 | |
| 414 | K | A | -1.4713 | |
| 415 | F | A | 0.0000 | |
| 416 | P | A | 0.0000 | |
| 417 | P | A | 0.0000 | mutated: EP417A |
| 418 | D | A | -0.0315 | |
| 419 | Q | A | 0.0000 | |
| 420 | F | A | 0.5562 | |
| 421 | N | A | -0.4091 | |
| 422 | V | A | 0.0000 | |
| 423 | A | A | 0.0000 | |
| 424 | L | A | 0.0000 | |
| 425 | D | A | -0.1770 | |
| 426 | Q | A | 0.0000 | |
| 427 | V | A | 0.0000 | |
| 428 | F | A | -0.1923 | |
| 429 | E | A | -1.3502 | |
| 430 | N | A | -1.5334 | |
| 431 | I | A | 0.0000 | |
| 432 | E | A | -1.9438 | |
| 433 | N | A | -2.1491 | |
| 434 | S | A | -1.5420 | |
| 435 | Q | A | -1.7648 | |
| 436 | A | A | -1.4568 | |
| 437 | L | A | -0.5048 | |
| 438 | V | A | -0.3535 | |
| 439 | D | A | -2.3627 | |
| 440 | Q | A | -1.9324 | |
| 441 | S | A | 0.0000 | |
| 442 | N | A | -2.3014 | |
| 443 | R | A | -2.7997 | |
| 444 | I | A | -1.6680 | |
| 445 | L | A | -1.5272 | |
| 446 | S | A | -2.2907 | |
| 447 | S | A | -2.1216 | |
| 448 | A | A | -2.4979 | |
| 449 | E | A | -3.1641 | |
| 450 | K | A | -3.1734 | |
| 451 | G | A | -2.7244 | |
| 452 | N | A | -3.0957 | |
| 453 | T | A | -2.6062 | |
| 1 | L | B | 0.3813 | |
| 2 | K | B | -1.0632 | |
| 3 | E | B | 0.0000 | |
| 4 | S | B | 0.0000 | |
| 5 | Y | B | -0.1988 | |
| 6 | L | B | 0.0000 | |
| 7 | E | B | -1.9766 | |
| 8 | E | B | -2.3453 | |
| 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 | -0.1316 | |
| 16 | G | B | 0.0233 | |
| 17 | Y | B | -0.3553 | |
| 18 | L | B | -0.6583 | |
| 19 | S | B | 0.0000 | |
| 20 | V | B | 0.0000 | |
| 21 | L | B | 0.0000 | |
| 22 | R | B | 0.0000 | |
| 23 | T | B | 0.2291 | |
| 24 | G | B | 0.1839 | |
| 25 | W | B | -0.0133 | |
| 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 | -0.7816 | |
| 34 | V | B | 0.0000 | |
| 35 | G | B | -1.3345 | |
| 36 | D | B | -1.9565 | |
| 37 | V | B | 0.0000 | |
| 38 | E | B | -1.9333 | |
| 39 | N | B | -2.4330 | |
| 40 | L | B | 0.0000 | |
| 41 | T | B | -2.5814 | |
| 42 | C | B | 0.0000 | |
| 43 | A | B | -2.1504 | |
| 44 | D | B | -3.1719 | |
| 45 | G | B | -2.4137 | |
| 46 | P | B | -1.8251 | |
| 47 | S | B | -1.1493 | |
| 48 | L | B | 0.0000 | |
| 49 | I | B | 0.0000 | |
| 50 | K | B | -1.9695 | |
| 51 | T | B | -0.9483 | |
| 52 | E | B | 0.0000 | |
| 53 | L | B | 0.0000 | |
| 54 | D | B | -1.3831 | |
| 55 | L | B | -0.7966 | |
| 56 | T | B | 0.0000 | |
| 57 | K | B | -1.2888 | |
| 58 | S | B | -0.9711 | |
| 59 | A | B | 0.0000 | |
| 60 | L | B | -0.6638 | |
| 61 | R | B | -1.1609 | |
| 62 | E | B | 0.0000 | |
| 63 | L | B | 0.0000 | |
| 64 | K | B | -1.7874 | |
| 65 | T | B | 0.0000 | |
| 66 | V | B | 0.0000 | |
| 67 | S | B | -0.8303 | |
| 68 | A | B | -0.7911 | |
| 69 | D | B | 0.0000 | |
| 70 | Q | B | -0.8790 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | -0.4822 | |
| 73 | G | B | -0.5479 | |
| 74 | G | B | -1.1066 | |
| 75 | G | B | -1.0821 | |
| 76 | S | B | -0.5499 | |
| 77 | A | B | -0.2492 | |
| 78 | T | B | -0.1500 | |
| 79 | A | B | 0.0378 | |
| 80 | A | B | 0.1732 | |
| 81 | A | B | 0.0860 | |
| 82 | V | B | 0.3631 | |
| 83 | T | B | 0.2363 | |
| 84 | A | B | 0.0000 | |
| 85 | G | B | 0.0000 | |
| 86 | V | B | 0.1800 | |
| 87 | A | B | 0.0000 | |
| 88 | I | B | 0.0000 | |
| 89 | A | B | 0.0000 | |
| 90 | K | B | -0.8744 | |
| 91 | C | B | 0.0000 | mutated: TC91B |
| 92 | I | B | 0.0000 | |
| 93 | R | B | -1.8922 | |
| 94 | L | B | -0.9796 | |
| 95 | E | B | -2.0455 | |
| 96 | S | B | -1.1877 | |
| 97 | E | B | -1.2138 | |
| 98 | V | B | 0.0000 | |
| 99 | T | B | -1.0560 | |
| 100 | A | B | -1.0760 | |
| 101 | I | B | 0.0000 | |
| 102 | K | B | -1.7750 | |
| 103 | N | B | -2.4200 | |
| 104 | A | B | -1.8524 | |
| 105 | L | B | 0.0000 | |
| 106 | K | B | -3.4061 | |
| 107 | K | B | -3.2426 | |
| 108 | T | B | -2.2935 | |
| 109 | N | B | -2.6221 | |
| 110 | E | B | -1.6638 | |
| 111 | A | B | -0.6086 | |
| 112 | V | B | 1.1509 | |
| 113 | S | B | 0.3062 | |
| 114 | T | B | -0.3751 | |
| 115 | L | B | 0.0000 | |
| 116 | G | B | 0.0000 | |
| 117 | C | B | 0.0000 | mutated: NC117B |
| 118 | G | B | -1.3143 | |
| 119 | V | B | -1.1584 | |
| 120 | R | B | -1.3112 | |
| 121 | V | B | 0.0000 | |
| 122 | L | B | 0.0000 | |
| 123 | A | B | 0.0000 | |
| 124 | T | B | 0.0000 | |
| 125 | A | B | -1.1842 | |
| 126 | V | B | -0.9036 | |
| 127 | R | B | -1.6041 | |
| 128 | E | B | -1.7714 | |
| 129 | L | B | 0.0000 | |
| 130 | K | B | -1.9886 | |
| 131 | D | B | -2.3452 | |
| 132 | F | B | 0.0000 | |
| 133 | V | B | 0.0000 | |
| 134 | S | B | -2.1681 | |
| 135 | K | B | -2.6319 | |
| 136 | N | B | -2.0666 | |
| 137 | L | B | 0.0000 | |
| 138 | T | B | -2.4786 | |
| 139 | R | B | -2.8345 | |
| 140 | A | B | -2.6075 | |
| 141 | I | B | 0.0000 | |
| 142 | N | B | -3.5726 | |
| 143 | K | B | -4.3405 | |
| 144 | N | B | -3.8816 | |
| 145 | K | B | -3.6454 | |
| 146 | C | B | 0.0000 | |
| 147 | D | B | -3.4780 | |
| 148 | I | B | 0.0000 | |
| 149 | D | B | -2.8779 | |
| 150 | D | B | -2.2877 | |
| 151 | L | B | -1.9406 | |
| 152 | K | B | -1.7629 | |
| 153 | M | B | 0.0000 | |
| 154 | A | B | 0.0000 | |
| 155 | V | B | 0.0000 | |
| 156 | S | B | 0.0000 | |
| 157 | F | B | 0.0000 | |
| 158 | S | B | -0.3867 | |
| 159 | Q | B | -0.5506 | |
| 160 | F | B | 0.0000 | |
| 161 | N | B | -0.6132 | |
| 162 | R | B | -0.7888 | |
| 163 | R | B | -0.8269 | |
| 164 | F | B | 0.0000 | |
| 165 | L | B | -0.1029 | |
| 166 | N | B | -0.3501 | |
| 167 | V | B | 0.0000 | |
| 168 | V | B | 0.0000 | |
| 169 | Y | B | 0.3969 | mutated: RY169B |
| 170 | Q | B | 0.2184 | |
| 171 | F | B | 0.0000 | |
| 172 | I | B | 0.0000 | mutated: SI172B |
| 173 | H | B | 0.0000 | mutated: DH173B |
| 174 | Y | B | 0.4719 | 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 | -0.1997 | |
| 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 | -0.7003 | |
| 185 | L | B | 0.0000 | |
| 186 | M | B | 0.0000 | |
| 187 | T | B | -0.5652 | |
| 188 | D | B | 0.0000 | |
| 189 | A | B | -0.3078 | |
| 190 | E | B | -0.7279 | |
| 191 | L | B | 0.0000 | |
| 192 | A | B | -0.8347 | |
| 193 | R | B | -1.0679 | |
| 194 | A | B | 0.0000 | |
| 195 | V | B | 0.0000 | |
| 196 | S | B | -0.8351 | |
| 197 | N | B | -0.7344 | |
| 198 | M | B | -0.6231 | |
| 199 | P | B | -0.4623 | |
| 200 | T | B | -0.1945 | |
| 201 | S | B | -0.1093 | |
| 202 | A | B | -0.2615 | |
| 203 | G | B | -0.7010 | |
| 204 | Q | B | 0.0000 | |
| 205 | I | B | -0.5531 | |
| 206 | K | B | -1.7219 | |
| 207 | L | B | 0.0000 | |
| 208 | M | B | 0.0000 | |
| 209 | L | B | -0.8980 | |
| 210 | E | B | -1.7099 | |
| 211 | N | B | 0.0000 | |
| 212 | R | B | -0.8807 | |
| 213 | A | B | 0.0000 | |
| 214 | M | B | 0.0000 | |
| 215 | V | B | 0.0000 | |
| 216 | R | B | 0.0000 | |
| 217 | R | B | 0.0000 | |
| 218 | K | B | -0.7577 | |
| 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 | 0.0274 | |
| 225 | G | B | -0.0784 | |
| 226 | V | B | 0.9643 | |
| 227 | Y | B | 1.4290 | |
| 228 | G | B | 0.2502 | |
| 229 | S | B | -0.2737 | |
| 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 | 0.2652 | |
| 240 | F | B | 0.0000 | |
| 241 | G | B | 0.3304 | |
| 242 | V | B | 0.1620 | |
| 243 | I | B | -0.4170 | |
| 244 | D | B | -1.4980 | |
| 245 | T | B | 0.0000 | |
| 246 | P | B | -0.5266 | |
| 247 | C | B | 0.0000 | |
| 248 | W | B | -0.0834 | |
| 249 | I | B | 0.0000 | |
| 250 | V | B | 0.0000 | |
| 251 | K | B | -0.7126 | |
| 252 | A | B | -0.5300 | |
| 253 | A | B | 0.0000 | |
| 254 | P | B | 0.0000 | |
| 255 | S | B | 0.0000 | |
| 256 | C | B | -1.0553 | |
| 257 | S | B | -1.6562 | |
| 258 | E | B | -2.5995 | |
| 259 | K | B | -3.2787 | |
| 260 | K | B | -2.9522 | |
| 261 | G | B | -1.9764 | |
| 262 | N | B | -2.0811 | |
| 263 | Y | B | -1.2788 | |
| 264 | A | B | 0.0000 | |
| 265 | C | B | 0.0000 | |
| 266 | L | B | 0.0000 | |
| 267 | L | B | -0.4243 | |
| 268 | R | B | 0.0000 | |
| 269 | E | B | -2.3036 | |
| 270 | D | B | -1.7034 | |
| 271 | Q | B | -1.7501 | |
| 272 | G | B | 0.0000 | |
| 273 | W | B | 0.0000 | |
| 274 | Y | B | 0.0000 | |
| 275 | C | B | 0.0000 | |
| 276 | Q | B | -0.8229 | |
| 277 | N | B | 0.0000 | |
| 278 | A | B | -0.4311 | |
| 279 | G | B | -0.8978 | |
| 280 | S | B | -0.7898 | |
| 281 | T | B | 0.0000 | |
| 282 | V | B | 0.0000 | |
| 283 | Y | B | 0.3138 | |
| 284 | Y | B | -0.2247 | |
| 285 | P | B | -0.8608 | |
| 286 | N | B | -1.6883 | |
| 287 | E | B | -1.9472 | |
| 288 | K | B | -2.4808 | |
| 289 | D | B | -1.8028 | |
| 290 | C | B | -1.2761 | |
| 291 | E | B | -1.0388 | |
| 292 | T | B | -0.7426 | |
| 293 | R | B | 0.0000 | |
| 294 | G | B | -1.5009 | |
| 295 | D | B | -1.7503 | |
| 296 | H | B | -1.3270 | |
| 297 | V | B | 0.0000 | |
| 298 | F | B | 0.0000 | |
| 299 | C | B | 0.0000 | |
| 300 | D | B | -0.4399 | |
| 301 | T | B | 0.0000 | |
| 302 | A | B | 0.0394 | |
| 303 | A | B | 0.0000 | |
| 304 | G | B | 0.0850 | |
| 305 | I | B | 0.3408 | |
| 306 | N | B | 0.0000 | |
| 307 | V | B | 0.1720 | |
| 308 | A | B | -1.0568 | |
| 309 | E | B | -2.4358 | |
| 310 | Q | B | 0.0000 | |
| 311 | S | B | 0.0000 | |
| 312 | K | B | -2.4104 | |
| 313 | E | B | -1.7717 | |
| 314 | C | B | -1.1707 | |
| 315 | N | B | -0.9435 | |
| 316 | I | B | -0.2825 | |
| 317 | N | B | -0.7392 | |
| 318 | I | B | -0.4051 | |
| 319 | S | B | -0.2736 | |
| 320 | T | B | -0.1817 | |
| 321 | T | B | -0.0814 | |
| 322 | N | B | -0.5688 | |
| 323 | Y | B | 0.5004 | |
| 324 | P | B | 0.0000 | |
| 325 | C | B | -0.7547 | |
| 326 | K | B | -1.4664 | |
| 327 | V | B | 0.0000 | |
| 328 | S | B | -0.8314 | |
| 329 | T | B | 0.0000 | |
| 330 | G | B | 0.0000 | |
| 331 | R | B | 0.0000 | |
| 332 | H | B | -0.0945 | |
| 333 | P | B | -0.5737 | |
| 334 | I | B | -0.2456 | |
| 335 | S | B | 0.0000 | |
| 336 | M | B | 0.3455 | |
| 337 | V | B | 0.0000 | |
| 338 | A | B | 0.0000 | |
| 339 | L | B | 0.1848 | |
| 340 | S | B | 0.0000 | |
| 341 | P | B | 0.2352 | |
| 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 | -1.6590 | |
| 351 | G | B | -1.4498 | |
| 352 | V | B | 0.0000 | |
| 353 | S | B | -1.5634 | |
| 354 | C | B | 0.0000 | |
| 355 | S | B | -0.6613 | |
| 356 | I | B | 0.0000 | |
| 357 | G | B | -0.2890 | |
| 358 | S | B | 0.0000 | |
| 359 | N | B | -1.5064 | |
| 360 | R | B | -1.9307 | |
| 361 | V | B | 0.3770 | |
| 362 | G | B | 0.4670 | |
| 363 | I | B | 1.5475 | |
| 364 | I | B | 1.7305 | |
| 365 | K | B | -0.2013 | |
| 366 | Q | B | -1.2639 | |
| 367 | L | B | 0.0000 | |
| 368 | N | B | -2.6663 | |
| 369 | K | B | -2.7561 | |
| 370 | G | B | -1.7132 | |
| 371 | C | B | -0.9515 | |
| 372 | S | B | -0.7166 | |
| 373 | Y | B | 0.0000 | |
| 374 | I | B | -0.1579 | |
| 375 | T | B | -0.3896 | |
| 376 | N | B | 0.0000 | |
| 377 | Q | B | -1.5938 | |
| 378 | D | B | -1.0379 | |
| 379 | A | B | 0.0000 | |
| 380 | D | B | 0.0000 | |
| 381 | T | B | -0.5744 | |
| 382 | V | B | 0.0000 | |
| 383 | T | B | -0.2789 | |
| 384 | I | B | 0.0000 | |
| 385 | D | B | -0.9255 | |
| 386 | N | B | -0.4720 | |
| 387 | T | B | 0.0000 | |
| 388 | V | B | 0.2736 | |
| 389 | Y | B | 0.2248 | |
| 390 | Q | B | -0.0060 | |
| 391 | L | B | 0.0000 | |
| 392 | S | B | -0.4617 | |
| 393 | K | B | -0.1646 | |
| 394 | V | B | 0.9026 | |
| 395 | E | B | -0.1550 | |
| 396 | G | B | -1.0355 | |
| 397 | E | B | -2.3094 | |
| 398 | Q | B | -2.0732 | |
| 399 | H | B | -1.1324 | |
| 400 | V | B | 0.3084 | |
| 401 | I | B | 0.1118 | |
| 402 | K | B | -2.0226 | |
| 403 | G | B | -1.8774 | |
| 404 | R | B | -2.8228 | |
| 405 | P | B | 0.0000 | |
| 406 | V | B | 0.0000 | |
| 407 | S | B | 0.0000 | |
| 408 | S | B | -1.3892 | |
| 409 | S | B | -0.8053 | |
| 410 | F | B | 0.0000 | |
| 411 | D | B | -1.5702 | |
| 412 | P | B | -1.3165 | |
| 413 | V | B | 0.0000 | |
| 414 | K | B | -1.7282 | |
| 415 | F | B | 0.0000 | |
| 416 | P | B | 0.0000 | |
| 417 | P | B | 0.0000 | mutated: EP417B |
| 418 | D | B | 0.0000 | |
| 419 | Q | B | -0.7518 | |
| 420 | F | B | 0.0000 | |
| 421 | N | B | -0.4656 | |
| 422 | V | B | 0.0000 | |
| 423 | A | B | 0.0000 | |
| 424 | L | B | 0.0000 | |
| 425 | D | B | 0.0000 | |
| 426 | Q | B | -0.9377 | |
| 427 | V | B | 0.0000 | |
| 428 | F | B | -0.5140 | |
| 429 | E | B | -1.6849 | |
| 430 | N | B | -1.6980 | |
| 431 | I | B | -1.4763 | |
| 432 | E | B | -2.7310 | |
| 433 | N | B | -2.1265 | |
| 434 | S | B | -1.3182 | |
| 435 | Q | B | -1.8530 | |
| 436 | A | B | -1.2833 | |
| 437 | L | B | -0.5563 | |
| 438 | V | B | 0.0596 | |
| 439 | D | B | -1.3488 | |
| 440 | Q | B | -1.3671 | |
| 441 | S | B | -0.7525 | |
| 442 | N | B | -1.4865 | |
| 443 | R | B | -2.1848 | |
| 444 | I | B | 0.0000 | |
| 445 | L | B | -0.4643 | |
| 446 | S | B | -1.7037 | |
| 447 | S | B | -2.0795 | |
| 448 | A | B | -1.9866 | |
| 449 | E | B | -2.9145 | |
| 450 | K | B | -2.9400 | |
| 451 | G | B | -2.5520 | |
| 452 | N | B | -2.1860 | |
| 453 | T | B | -1.0586 | |
| 1 | L | C | 0.0458 | |
| 2 | K | C | -0.8744 | |
| 3 | E | C | 0.0000 | |
| 4 | S | C | 0.0000 | |
| 5 | Y | C | 0.0000 | |
| 6 | L | C | 0.0000 | |
| 7 | E | C | -1.3060 | |
| 8 | E | C | 0.0000 | |
| 9 | S | C | 0.0000 | |
| 10 | C | C | 0.0000 | |
| 11 | S | C | 0.0000 | |
| 12 | T | C | 0.0000 | |
| 13 | I | C | 0.0000 | |
| 14 | T | C | 0.0000 | |
| 15 | E | C | 0.0635 | |
| 16 | G | C | 0.0000 | |
| 17 | Y | C | 0.0000 | |
| 18 | L | C | -0.3420 | |
| 19 | S | C | 0.0000 | |
| 20 | V | C | 0.0000 | |
| 21 | L | C | 0.0000 | |
| 22 | R | C | 0.0000 | |
| 23 | T | C | 0.1234 | |
| 24 | G | C | -0.1073 | |
| 25 | W | C | -0.1767 | |
| 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 | -1.3495 | |
| 36 | D | C | -1.9945 | |
| 37 | V | C | 0.0000 | |
| 38 | E | C | -1.9300 | |
| 39 | N | C | -2.3559 | |
| 40 | L | C | 0.0000 | |
| 41 | T | C | -2.2995 | |
| 42 | C | C | 0.0000 | |
| 43 | A | C | -2.4893 | |
| 44 | D | C | -3.2668 | |
| 45 | G | C | -2.9416 | |
| 46 | P | C | -2.2872 | |
| 47 | S | C | -1.1516 | |
| 48 | L | C | 0.0000 | |
| 49 | I | C | 0.0000 | |
| 50 | K | C | -2.2042 | |
| 51 | T | C | -1.3182 | |
| 52 | E | C | 0.0000 | |
| 53 | L | C | 0.0000 | |
| 54 | D | C | -1.8166 | |
| 55 | L | C | -0.9004 | |
| 56 | T | C | 0.0000 | |
| 57 | K | C | -1.4849 | |
| 58 | S | C | -0.9826 | |
| 59 | A | C | 0.0000 | |
| 60 | L | C | -0.5052 | |
| 61 | R | C | -1.0393 | |
| 62 | E | C | 0.0000 | |
| 63 | L | C | 0.0000 | |
| 64 | K | C | -0.7311 | |
| 65 | T | C | -0.7824 | |
| 66 | V | C | 0.0000 | |
| 67 | S | C | -0.3708 | |
| 68 | A | C | 0.0000 | |
| 69 | D | C | -0.6387 | |
| 70 | Q | C | 0.0000 | |
| 71 | L | C | -0.1480 | |
| 72 | G | C | -0.2769 | |
| 73 | G | C | -0.7348 | |
| 74 | G | C | -0.9912 | |
| 75 | G | C | -1.0057 | |
| 76 | S | C | -1.3021 | |
| 77 | A | C | -0.9855 | |
| 78 | T | C | -0.3352 | |
| 79 | A | C | -0.0878 | |
| 80 | A | C | 0.2153 | |
| 81 | A | C | 0.0000 | |
| 82 | V | C | 0.0000 | |
| 83 | T | C | 0.0000 | |
| 84 | A | C | 0.1180 | |
| 85 | G | C | 0.0000 | |
| 86 | V | C | 0.0306 | |
| 87 | A | C | 0.0000 | |
| 88 | I | C | 0.0000 | |
| 89 | A | C | 0.0000 | |
| 90 | K | C | -1.5771 | |
| 91 | C | C | 0.0000 | mutated: TC91C |
| 92 | I | C | 0.0000 | |
| 93 | R | C | -2.3773 | |
| 94 | L | C | -1.5518 | |
| 95 | E | C | -2.3666 | |
| 96 | S | C | -1.3625 | |
| 97 | E | C | -1.3667 | |
| 98 | V | C | -1.4796 | |
| 99 | T | C | -1.4776 | |
| 100 | A | C | -1.2917 | |
| 101 | I | C | 0.0000 | |
| 102 | K | C | -2.4691 | |
| 103 | N | C | -2.6183 | |
| 104 | A | C | -1.8838 | |
| 105 | L | C | 0.0000 | |
| 106 | K | C | -3.3782 | |
| 107 | K | C | -3.1684 | |
| 108 | T | C | -1.7448 | |
| 109 | N | C | -1.6032 | |
| 110 | E | C | -1.5931 | |
| 111 | A | C | -0.1626 | |
| 112 | V | C | 0.8798 | |
| 113 | S | C | 0.1231 | |
| 114 | T | C | -0.4149 | |
| 115 | L | C | 0.0000 | |
| 116 | G | C | -0.8155 | |
| 117 | C | C | 0.0000 | mutated: NC117C |
| 118 | G | C | -0.6236 | |
| 119 | V | C | 0.0000 | |
| 120 | R | C | -1.5967 | |
| 121 | V | C | 0.0000 | |
| 122 | L | C | -0.2838 | |
| 123 | A | C | 0.0000 | |
| 124 | T | C | -0.4958 | |
| 125 | A | C | -1.1065 | |
| 126 | V | C | -0.8289 | |
| 127 | R | C | -1.4423 | |
| 128 | E | C | -1.7175 | |
| 129 | L | C | 0.0000 | |
| 130 | K | C | -1.7432 | |
| 131 | D | C | -1.7044 | |
| 132 | F | C | -1.3038 | |
| 133 | V | C | 0.0000 | |
| 134 | S | C | -1.7418 | |
| 135 | K | C | -1.9707 | |
| 136 | N | C | -1.7506 | |
| 137 | L | C | 0.0000 | |
| 138 | T | C | -2.4832 | |
| 139 | R | C | -2.8521 | |
| 140 | A | C | -2.8761 | |
| 141 | I | C | 0.0000 | |
| 142 | N | C | -3.6470 | |
| 143 | K | C | -3.7633 | |
| 144 | N | C | -3.8117 | |
| 145 | K | C | -4.1088 | |
| 146 | C | C | 0.0000 | |
| 147 | D | C | -3.8020 | |
| 148 | I | C | 0.0000 | |
| 149 | D | C | -3.4324 | |
| 150 | D | C | -2.9838 | |
| 151 | L | C | 0.0000 | |
| 152 | K | C | -1.3189 | |
| 153 | M | C | -1.0677 | |
| 154 | A | C | 0.0000 | |
| 155 | V | C | -0.1146 | |
| 156 | S | C | 0.0000 | |
| 157 | F | C | 0.0000 | |
| 158 | S | C | -0.1293 | |
| 159 | Q | C | -0.2837 | |
| 160 | F | C | 0.0000 | |
| 161 | N | C | 0.0000 | |
| 162 | R | C | -0.5029 | |
| 163 | R | C | -0.6161 | |
| 164 | F | C | 0.0000 | |
| 165 | L | C | 0.0538 | |
| 166 | N | C | -0.1921 | |
| 167 | V | C | 0.0643 | |
| 168 | V | C | 0.0000 | |
| 169 | Y | C | 0.1772 | mutated: RY169C |
| 170 | Q | C | 0.0028 | |
| 171 | F | C | 0.0000 | |
| 172 | I | C | 0.0000 | mutated: SI172C |
| 173 | H | C | -0.1803 | mutated: DH173C |
| 174 | Y | C | -0.0187 | 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 | 0.0584 | |
| 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 | -0.3678 | |
| 185 | L | C | 0.0000 | |
| 186 | M | C | 0.0000 | |
| 187 | T | C | -0.4259 | |
| 188 | D | C | 0.0000 | |
| 189 | A | C | -0.5617 | |
| 190 | E | C | -0.8287 | |
| 191 | L | C | 0.0000 | |
| 192 | A | C | -1.1186 | |
| 193 | R | C | -2.2195 | |
| 194 | A | C | 0.0000 | |
| 195 | V | C | 0.0000 | |
| 196 | S | C | -1.5341 | |
| 197 | N | C | -1.4167 | |
| 198 | M | C | -0.9870 | |
| 199 | P | C | -0.6400 | |
| 200 | T | C | -0.2428 | |
| 201 | S | C | -0.5648 | |
| 202 | A | C | -0.6437 | |
| 203 | G | C | -0.8420 | |
| 204 | Q | C | 0.0000 | |
| 205 | I | C | -0.9022 | |
| 206 | K | C | -1.8376 | |
| 207 | L | C | 0.0000 | |
| 208 | M | C | 0.0000 | |
| 209 | L | C | -0.7289 | |
| 210 | E | C | -1.2608 | |
| 211 | N | C | 0.0000 | |
| 212 | R | C | -0.8520 | |
| 213 | A | C | 0.0000 | |
| 214 | M | C | 0.0000 | |
| 215 | V | C | 0.0000 | |
| 216 | R | C | 0.0000 | |
| 217 | R | C | -0.2413 | |
| 218 | K | C | -0.2407 | |
| 219 | G | C | 0.0000 | |
| 220 | F | C | 0.2429 | |
| 221 | G | C | 0.0000 | |
| 222 | I | C | 0.0000 | |
| 223 | L | C | 0.0000 | |
| 224 | I | C | 0.0000 | |
| 225 | G | C | 0.0043 | |
| 226 | V | C | 0.7544 | |
| 227 | Y | C | 1.0879 | |
| 228 | G | C | 0.2480 | |
| 229 | S | C | -0.1225 | |
| 230 | S | C | -0.0195 | |
| 231 | V | C | 0.0000 | |
| 232 | I | C | 0.5033 | |
| 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 | 0.0231 | |
| 239 | I | C | 0.0000 | |
| 240 | F | C | 0.0000 | |
| 241 | G | C | 0.2970 | |
| 242 | V | C | 0.7003 | |
| 243 | I | C | 0.5778 | |
| 244 | D | C | -0.9688 | |
| 245 | T | C | -0.4567 | |
| 246 | P | C | -0.3638 | |
| 247 | C | C | 0.0000 | |
| 248 | W | C | -0.0565 | |
| 249 | I | C | 0.0000 | |
| 250 | V | C | 0.0000 | |
| 251 | K | C | -0.5691 | |
| 252 | A | C | -0.2434 | |
| 253 | A | C | 0.0000 | |
| 254 | P | C | 0.2084 | |
| 255 | S | C | 0.0000 | |
| 256 | C | C | -0.5141 | |
| 257 | S | C | -1.2847 | |
| 258 | E | C | -2.1617 | |
| 259 | K | C | -2.8432 | |
| 260 | K | C | -2.9411 | |
| 261 | G | C | -2.1290 | |
| 262 | N | C | -2.5729 | |
| 263 | Y | C | 0.0000 | |
| 264 | A | C | 0.0000 | |
| 265 | C | C | 0.0000 | |
| 266 | L | C | 0.0000 | |
| 267 | L | C | 0.3634 | |
| 268 | R | C | 0.0000 | |
| 269 | E | C | -0.5256 | |
| 270 | D | C | -0.8546 | |
| 271 | Q | C | -0.9873 | |
| 272 | G | C | 0.0000 | |
| 273 | W | C | 0.0000 | |
| 274 | Y | C | 0.0000 | |
| 275 | C | C | 0.0000 | |
| 276 | Q | C | -0.5936 | |
| 277 | N | C | -0.7739 | |
| 278 | A | C | -0.3206 | |
| 279 | G | C | -0.4710 | |
| 280 | S | C | -0.6387 | |
| 281 | T | C | 0.0000 | |
| 282 | V | C | 0.0000 | |
| 283 | Y | C | 0.0000 | |
| 284 | Y | C | -0.6637 | |
| 285 | P | C | -1.5177 | |
| 286 | N | C | -2.2078 | |
| 287 | E | C | -3.1068 | |
| 288 | K | C | -2.9147 | |
| 289 | D | C | 0.0000 | |
| 290 | C | C | 0.0000 | |
| 291 | E | C | 0.0000 | |
| 292 | T | C | -0.9986 | |
| 293 | R | C | -0.9944 | |
| 294 | G | C | -1.4700 | |
| 295 | D | C | -1.3603 | |
| 296 | H | C | -0.9947 | |
| 297 | V | C | 0.0000 | |
| 298 | F | C | 0.0000 | |
| 299 | C | C | 0.0000 | |
| 300 | D | C | 0.0000 | |
| 301 | T | C | 0.0000 | |
| 302 | A | C | 0.1802 | |
| 303 | A | C | 0.0000 | |
| 304 | G | C | 0.1198 | |
| 305 | I | C | 0.4424 | |
| 306 | N | C | 0.0000 | |
| 307 | V | C | -0.0701 | |
| 308 | A | C | -0.3510 | |
| 309 | E | C | -1.0454 | |
| 310 | Q | C | -0.8561 | |
| 311 | S | C | -0.8047 | |
| 312 | K | C | 0.0000 | |
| 313 | E | C | -1.1483 | |
| 314 | C | C | 0.0000 | |
| 315 | N | C | 0.0000 | |
| 316 | I | C | 0.0119 | |
| 317 | N | C | -0.4188 | |
| 318 | I | C | 0.9708 | |
| 319 | S | C | 0.2959 | |
| 320 | T | C | 0.1826 | |
| 321 | T | C | 0.0867 | |
| 322 | N | C | 0.0000 | |
| 323 | Y | C | 0.7951 | |
| 324 | P | C | 0.1603 | |
| 325 | C | C | -0.2986 | |
| 326 | K | C | -0.3667 | |
| 327 | V | C | 0.0000 | |
| 328 | S | C | 0.0000 | |
| 329 | T | C | 0.0000 | |
| 330 | G | C | 0.0827 | |
| 331 | R | C | 0.0000 | |
| 332 | H | C | -0.0904 | |
| 333 | P | C | 0.2207 | |
| 334 | I | C | 0.4522 | |
| 335 | S | C | 0.0000 | |
| 336 | M | C | 0.3388 | |
| 337 | V | C | 0.0000 | |
| 338 | A | C | 0.0000 | |
| 339 | L | C | 0.3315 | |
| 340 | S | C | 0.0000 | |
| 341 | P | C | -0.2760 | |
| 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 | -1.2719 | |
| 350 | K | C | -2.6671 | |
| 351 | G | C | -1.8854 | |
| 352 | V | C | -0.9585 | |
| 353 | S | C | -1.4635 | |
| 354 | C | C | 0.0000 | |
| 355 | S | C | -0.3903 | |
| 356 | I | C | 0.0000 | |
| 357 | G | C | 0.0000 | |
| 358 | S | C | 0.0000 | |
| 359 | N | C | -0.7935 | |
| 360 | R | C | -1.1965 | |
| 361 | V | C | 1.2206 | |
| 362 | G | C | 1.1631 | |
| 363 | I | C | 2.1468 | |
| 364 | I | C | 1.8230 | |
| 365 | K | C | -0.5996 | |
| 366 | Q | C | -1.3761 | |
| 367 | L | C | -1.5805 | |
| 368 | N | C | -2.8346 | |
| 369 | K | C | -2.9936 | |
| 370 | G | C | -1.7476 | |
| 371 | C | C | -0.6906 | |
| 372 | S | C | -0.4130 | |
| 373 | Y | C | 0.4997 | |
| 374 | I | C | 0.1321 | |
| 375 | T | C | -0.6400 | |
| 376 | N | C | -1.1729 | |
| 377 | Q | C | -1.9107 | |
| 378 | D | C | -1.0948 | |
| 379 | A | C | 0.0000 | |
| 380 | D | C | 0.0000 | |
| 381 | T | C | 0.0000 | |
| 382 | V | C | 0.0000 | |
| 383 | T | C | 0.0849 | |
| 384 | I | C | 0.0000 | |
| 385 | D | C | -0.7576 | |
| 386 | N | C | -0.5058 | |
| 387 | T | C | 0.0000 | |
| 388 | V | C | 0.4997 | |
| 389 | Y | C | 0.0000 | |
| 390 | Q | C | -0.1256 | |
| 391 | L | C | 0.0000 | |
| 392 | S | C | 0.0000 | |
| 393 | K | C | -0.9170 | |
| 394 | V | C | -0.9571 | |
| 395 | E | C | -2.0307 | |
| 396 | G | C | -1.7442 | |
| 397 | E | C | -2.3915 | |
| 398 | Q | C | -1.3622 | |
| 399 | H | C | -0.5112 | |
| 400 | V | C | 1.1708 | |
| 401 | I | C | -0.0448 | |
| 402 | K | C | -1.9621 | |
| 403 | G | C | -2.1452 | |
| 404 | R | C | -2.4505 | |
| 405 | P | C | -1.6594 | |
| 406 | V | C | -0.7023 | |
| 407 | S | C | 0.0000 | |
| 408 | S | C | -0.8132 | |
| 409 | S | C | -0.6285 | |
| 410 | F | C | 0.0000 | |
| 411 | D | C | -1.1019 | |
| 412 | P | C | -0.7186 | |
| 413 | V | C | -0.6127 | |
| 414 | K | C | -1.3194 | |
| 415 | F | C | -0.3799 | |
| 416 | P | C | -0.3404 | |
| 417 | P | C | 0.0000 | mutated: EP417C |
| 418 | D | C | -0.4893 | |
| 419 | Q | C | 0.0000 | |
| 420 | F | C | 1.1856 | |
| 421 | N | C | 0.3470 | |
| 422 | V | C | 0.0000 | |
| 423 | A | C | 0.0000 | |
| 424 | L | C | 0.0000 | |
| 425 | D | C | -0.6776 | |
| 426 | Q | C | 0.0000 | |
| 427 | V | C | 0.0000 | |
| 428 | F | C | -0.4431 | |
| 429 | E | C | -2.3884 | |
| 430 | N | C | -1.8103 | |
| 431 | I | C | -1.5905 | |
| 432 | E | C | -2.5553 | |
| 433 | N | C | -2.1017 | |
| 434 | S | C | -1.5358 | |
| 435 | Q | C | -2.2504 | |
| 436 | A | C | -1.3831 | |
| 437 | L | C | -0.3912 | |
| 438 | V | C | -0.9415 | |
| 439 | D | C | -2.5373 | |
| 440 | Q | C | -1.6861 | |
| 441 | S | C | 0.0000 | |
| 442 | N | C | -2.3798 | |
| 443 | R | C | -2.6696 | |
| 444 | I | C | 0.0000 | |
| 445 | L | C | -1.2690 | |
| 446 | S | C | -2.0325 | |
| 447 | S | C | -2.0838 | |
| 448 | A | C | 0.0000 | |
| 449 | E | C | -3.2943 | |
| 450 | K | C | -3.1122 | |
| 451 | G | C | -2.7861 | |
| 452 | N | C | -2.7877 | |
| 453 | T | C | -1.5235 |
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, -0.6247 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 | -0.6247 | View | CSV | PDB |
| model_6 | -0.6315 | View | CSV | PDB |
| model_1 | -0.6354 | View | CSV | PDB |
| input | -0.6727 | View | CSV | PDB |
| CABS_average | -0.6774 | View | CSV | PDB |
| model_9 | -0.6777 | View | CSV | PDB |
| model_5 | -0.6804 | View | CSV | PDB |
| model_0 | -0.686 | View | CSV | PDB |
| model_2 | -0.6883 | View | CSV | PDB |
| model_3 | -0.694 | View | CSV | PDB |
| model_4 | -0.697 | View | CSV | PDB |
| model_8 | -0.6979 | View | CSV | PDB |
| model_10 | -0.6994 | View | CSV | PDB |
| model_11 | -0.7163 | 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