Project name: RSV_86F227L230F [mutate: YF61A, NL164A, LF167A, YF61C, NL164C, LF167C, YF61B, NL164B, LF167B]
Status: done
Started: 2025-12-11 15:11:31
| Chain sequence(s) |
A: QNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNIKEPKCNGTDAKVKLIKQELDKYKNAVTELQLLMQSTPAAGGGGSAIASGIAVSKCLHLEGEVNKIKSALLSTNKAVVSLSCGVSVLTSKVLDLKNYIDKQLLPIVNKQSCSIPNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSNNVPIVRQQSYSIMSIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPPEVNLCNVDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSDEFDASISQVNEKINQSLAWIRKFDELLH
C: QNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNIKEPKCNGTDAKVKLIKQELDKYKNAVTELQLLMQSTPAAGGGGSAIASGIAVSKCLHLEGEVNKIKSALLSTNKAVVSLSCGVSVLTSKVLDLKNYIDKQLLPIVNKQSCSIPNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSNNVPIVRQQSYSIMSIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPPEVNLCNVDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSDEFDASISQVNEKINQSLAWIRKFDELLH B: QNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNIKEPKCNGTDAKVKLIKQELDKYKNAVTELQLLMQSTPAAGGGGSAIASGIAVSKCLHLEGEVNKIKSALLSTNKAVVSLSCGVSVLTSKVLDLKNYIDKQLLPIVNKQSCSIPNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSNNVPIVRQQSYSIMSIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPPEVNLCNVDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSDEFDASISQVNEKINQSLAWIRKFDELLH 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 | YF61B,LF167C,NL164C,YF61A,YF61C,NL164A,LF167A,NL164B,LF167B |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.865872 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 (00:42:24)
[INFO] CABS: Running CABS flex simulation (00:53:05)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (10:29:30)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (10:30:01)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (10:30:30)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (10:31:01)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (10:31:32)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (10:32:02)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (10:32:33)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (10:33:04)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (10:33:34)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (10:34:05)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (10:34:36)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (10:35:06)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (10:35:36)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (10:36:40)
[INFO] Main: Simulation completed successfully. (10:37:09)
|
Note Your prediction results will be deleted after 360 days.
Drag cursor over the plot to display residue labels.
Show buried residues
- Minimal score value
- -3.7055
- Maximal score value
- 2.291
- Average score
- -0.5217
- Total score value
- -705.8457
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 | Q | A | -2.4255 | |
| 2 | N | A | -2.5238 | |
| 3 | I | A | 0.0000 | |
| 4 | T | A | -1.3797 | |
| 5 | E | A | 0.0000 | |
| 6 | E | A | 0.0603 | |
| 7 | F | A | 0.0000 | |
| 8 | Y | A | -0.0550 | |
| 9 | Q | A | 0.0000 | |
| 10 | S | A | -1.3548 | |
| 11 | T | A | 0.0000 | |
| 12 | C | A | 0.0000 | |
| 13 | S | A | 0.0000 | |
| 14 | A | A | 0.0000 | |
| 15 | V | A | 0.0000 | |
| 16 | S | A | 0.0000 | |
| 17 | K | A | -1.0049 | |
| 18 | G | A | -0.8573 | |
| 19 | Y | A | -0.3799 | |
| 20 | L | A | 0.1607 | |
| 21 | S | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | R | A | 0.0000 | |
| 25 | T | A | 0.0817 | |
| 26 | G | A | 0.2078 | |
| 27 | W | A | 0.0000 | |
| 28 | Y | A | 0.5312 | |
| 29 | T | A | 0.0000 | |
| 30 | S | A | 0.0000 | |
| 31 | V | A | 0.0000 | |
| 32 | I | A | 0.0000 | |
| 33 | T | A | 0.0000 | |
| 34 | I | A | 0.0000 | |
| 35 | E | A | 0.0000 | |
| 36 | L | A | 0.0000 | |
| 37 | S | A | -1.7954 | |
| 38 | N | A | -1.6698 | |
| 39 | I | A | -1.7875 | |
| 40 | K | A | -2.3776 | |
| 41 | E | A | -2.3588 | |
| 42 | P | A | -2.7326 | |
| 43 | K | A | -3.3787 | |
| 44 | C | A | 0.0000 | |
| 45 | N | A | -2.9089 | |
| 46 | G | A | -2.1502 | |
| 47 | T | A | -1.2431 | |
| 48 | D | A | -1.7339 | |
| 49 | A | A | -1.4710 | |
| 50 | K | A | -1.3378 | |
| 51 | V | A | 0.0000 | |
| 52 | K | A | -2.2248 | |
| 53 | L | A | 0.0000 | |
| 54 | I | A | 0.0000 | |
| 55 | K | A | -2.5464 | |
| 56 | Q | A | -1.7501 | |
| 57 | E | A | 0.0000 | |
| 58 | L | A | 0.0000 | |
| 59 | D | A | -2.4974 | |
| 60 | K | A | -1.5084 | |
| 61 | F | A | 0.0000 | mutated: YF61A |
| 62 | K | A | -1.8994 | |
| 63 | N | A | -1.3281 | |
| 64 | A | A | 0.0000 | |
| 65 | V | A | 0.0000 | |
| 66 | T | A | -0.5999 | |
| 67 | E | A | -0.5898 | |
| 68 | L | A | 0.0000 | |
| 69 | Q | A | -0.9739 | |
| 70 | L | A | -0.3085 | |
| 71 | L | A | 0.0000 | |
| 72 | M | A | 0.0000 | |
| 73 | Q | A | -1.0921 | |
| 74 | S | A | 0.0000 | |
| 75 | T | A | -0.3369 | |
| 76 | P | A | -0.2896 | |
| 77 | A | A | -0.6329 | |
| 78 | A | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | G | A | 0.0000 | |
| 81 | G | A | -0.3615 | |
| 82 | G | A | -0.1997 | |
| 83 | S | A | -0.0216 | |
| 84 | A | A | 0.0864 | |
| 85 | I | A | 0.4426 | |
| 86 | A | A | 0.0000 | |
| 87 | S | A | 0.0394 | |
| 88 | G | A | 0.0000 | |
| 89 | I | A | 0.0723 | |
| 90 | A | A | -0.3564 | |
| 91 | V | A | 0.0000 | |
| 92 | S | A | 0.0000 | |
| 93 | K | A | -0.3273 | |
| 94 | C | A | -0.1347 | |
| 95 | L | A | 0.0000 | |
| 96 | H | A | -0.4439 | |
| 97 | L | A | 0.3321 | |
| 98 | E | A | -1.5624 | |
| 99 | G | A | -1.2212 | |
| 100 | E | A | 0.0000 | |
| 101 | V | A | 0.0000 | |
| 102 | N | A | -2.2912 | |
| 103 | K | A | -2.2763 | |
| 104 | I | A | 0.0000 | |
| 105 | K | A | -1.0909 | |
| 106 | S | A | -0.7455 | |
| 107 | A | A | 0.1009 | |
| 108 | L | A | 0.6086 | |
| 109 | L | A | 0.0000 | |
| 110 | S | A | -0.6063 | |
| 111 | T | A | -0.6477 | |
| 112 | N | A | -1.6667 | |
| 113 | K | A | -1.6851 | |
| 114 | A | A | 0.1024 | |
| 115 | V | A | 1.5794 | |
| 116 | V | A | 0.6907 | |
| 117 | S | A | 0.4453 | |
| 118 | L | A | 0.0946 | |
| 119 | S | A | -0.3961 | |
| 120 | C | A | -0.6150 | |
| 121 | G | A | -0.8384 | |
| 122 | V | A | -0.3225 | |
| 123 | S | A | 0.3394 | |
| 124 | V | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | T | A | 0.0000 | |
| 127 | S | A | -0.7623 | |
| 128 | K | A | -1.1928 | |
| 129 | V | A | 0.0000 | |
| 130 | L | A | 0.0000 | |
| 131 | D | A | -0.9952 | |
| 132 | L | A | 0.0000 | |
| 133 | K | A | -2.1408 | |
| 134 | N | A | -2.5008 | |
| 135 | Y | A | -1.5979 | |
| 136 | I | A | 0.0000 | |
| 137 | D | A | -2.9873 | |
| 138 | K | A | -2.8554 | |
| 139 | Q | A | -1.2607 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | -1.3420 | |
| 142 | P | A | -1.1772 | |
| 143 | I | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | N | A | -2.6334 | |
| 146 | K | A | -2.0947 | |
| 147 | Q | A | -2.4721 | |
| 148 | S | A | -1.6368 | |
| 149 | C | A | 0.0000 | |
| 150 | S | A | -0.1139 | |
| 151 | I | A | 1.2789 | |
| 152 | P | A | 0.0000 | |
| 153 | N | A | -0.3158 | |
| 154 | I | A | 0.0000 | |
| 155 | E | A | 0.0000 | |
| 156 | T | A | -0.4107 | |
| 157 | V | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | E | A | -0.3584 | |
| 160 | F | A | -0.1913 | |
| 161 | Q | A | -0.6321 | |
| 162 | Q | A | -0.6056 | |
| 163 | K | A | -0.5052 | |
| 164 | L | A | 0.0000 | mutated: NL164A |
| 165 | N | A | -0.7835 | |
| 166 | R | A | -0.7006 | |
| 167 | F | A | 0.0000 | mutated: LF167A |
| 168 | L | A | -0.4732 | |
| 169 | E | A | -0.6525 | |
| 170 | I | A | 0.0000 | |
| 171 | T | A | 0.0000 | |
| 172 | R | A | -0.6429 | |
| 173 | E | A | -0.4959 | |
| 174 | F | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | V | A | -0.1736 | |
| 177 | N | A | -0.4298 | |
| 178 | A | A | -0.0724 | |
| 179 | G | A | 0.0000 | |
| 180 | V | A | 0.3814 | |
| 181 | T | A | 0.0000 | |
| 182 | T | A | 0.1168 | |
| 183 | P | A | 0.1374 | |
| 184 | V | A | 0.0000 | |
| 185 | S | A | 0.0000 | |
| 186 | T | A | 0.0000 | |
| 187 | Y | A | 0.0300 | |
| 188 | M | A | 0.0000 | |
| 189 | L | A | 0.0000 | |
| 190 | T | A | -0.0875 | |
| 191 | N | A | 0.0000 | |
| 192 | S | A | -0.1465 | |
| 193 | E | A | -0.7455 | |
| 194 | L | A | 0.0000 | |
| 195 | L | A | -0.1634 | |
| 196 | S | A | -0.9743 | |
| 197 | L | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | N | A | -2.0831 | |
| 200 | D | A | -1.3055 | |
| 201 | M | A | 0.0000 | |
| 202 | P | A | -0.8698 | |
| 203 | I | A | -1.0135 | |
| 204 | T | A | -1.5137 | |
| 205 | N | A | -2.8989 | |
| 206 | D | A | -3.0698 | |
| 207 | Q | A | 0.0000 | |
| 208 | K | A | -2.6822 | |
| 209 | K | A | -3.1797 | |
| 210 | L | A | -1.7037 | |
| 211 | M | A | 0.0000 | |
| 212 | S | A | -1.2903 | |
| 213 | N | A | -1.2337 | |
| 214 | N | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | P | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | V | A | 0.0000 | |
| 219 | R | A | 0.0000 | |
| 220 | Q | A | -0.2524 | |
| 221 | Q | A | -0.1502 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | 0.4767 | |
| 224 | S | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | M | A | 0.0000 | |
| 227 | S | A | 0.0000 | |
| 228 | I | A | 0.0000 | |
| 229 | I | A | -0.8496 | |
| 230 | K | A | -1.7105 | |
| 231 | E | A | -2.2689 | |
| 232 | E | A | -2.3502 | |
| 233 | V | A | 0.0000 | |
| 234 | L | A | 0.0000 | |
| 235 | A | A | 0.0000 | |
| 236 | Y | A | 0.0000 | |
| 237 | V | A | 0.0000 | |
| 238 | V | A | 0.0000 | |
| 239 | Q | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | P | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | Y | A | 0.0000 | |
| 244 | G | A | 0.2257 | |
| 245 | V | A | 0.4679 | |
| 246 | I | A | -0.2091 | |
| 247 | D | A | -1.3301 | |
| 248 | T | A | 0.0000 | |
| 249 | P | A | -0.5952 | |
| 250 | C | A | 0.0000 | |
| 251 | W | A | -0.1192 | |
| 252 | K | A | 0.0000 | |
| 253 | L | A | -0.5241 | |
| 254 | H | A | 0.0000 | |
| 255 | T | A | 0.0000 | |
| 256 | S | A | 0.0000 | |
| 257 | P | A | -0.1176 | |
| 258 | L | A | 0.0000 | |
| 259 | C | A | 0.0000 | |
| 260 | T | A | -0.4454 | |
| 261 | T | A | -1.2231 | |
| 262 | N | A | -1.9039 | |
| 263 | T | A | -1.8055 | |
| 264 | K | A | 0.0000 | |
| 265 | E | A | -2.6069 | |
| 266 | G | A | -1.8043 | |
| 267 | S | A | -1.2647 | |
| 268 | N | A | 0.0000 | |
| 269 | I | A | 0.0000 | |
| 270 | C | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | T | A | -0.3537 | |
| 273 | R | A | 0.0000 | |
| 274 | T | A | -1.4101 | |
| 275 | D | A | -2.3981 | |
| 276 | R | A | -2.2408 | |
| 277 | G | A | 0.0000 | |
| 278 | W | A | 0.0000 | |
| 279 | Y | A | 0.0000 | |
| 280 | C | A | 0.0000 | |
| 281 | D | A | -0.8648 | |
| 282 | N | A | -0.7471 | |
| 283 | A | A | -0.4240 | |
| 284 | G | A | -0.7182 | |
| 285 | S | A | -0.6245 | |
| 286 | V | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | F | A | 0.0000 | |
| 289 | F | A | 0.0000 | |
| 290 | P | A | -1.5943 | |
| 291 | Q | A | -2.5714 | |
| 292 | A | A | 0.0000 | |
| 293 | E | A | -2.5846 | |
| 294 | T | A | -1.5597 | |
| 295 | C | A | 0.0000 | |
| 296 | K | A | -0.9079 | |
| 297 | V | A | -0.1198 | |
| 298 | Q | A | 0.0000 | |
| 299 | S | A | -0.5640 | |
| 300 | N | A | -0.5962 | |
| 301 | R | A | -0.1308 | |
| 302 | V | A | 0.0000 | |
| 303 | F | A | 0.0000 | |
| 304 | C | A | 0.0000 | |
| 305 | D | A | -0.9593 | |
| 306 | T | A | 0.0000 | |
| 307 | M | A | 0.0000 | |
| 308 | N | A | -1.5838 | |
| 309 | S | A | 0.0000 | |
| 310 | L | A | -0.1668 | |
| 311 | T | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | P | A | 0.0000 | |
| 314 | P | A | -0.1291 | |
| 315 | E | A | -0.3287 | |
| 316 | V | A | 0.3051 | |
| 317 | N | A | 0.2884 | |
| 318 | L | A | 1.3348 | |
| 319 | C | A | 0.4122 | |
| 320 | N | A | -0.0794 | |
| 321 | V | A | -0.0924 | |
| 322 | D | A | -1.4280 | |
| 323 | I | A | -0.3316 | |
| 324 | F | A | 0.0000 | |
| 325 | N | A | -1.5403 | |
| 326 | P | A | -1.2873 | |
| 327 | K | A | -2.3932 | |
| 328 | Y | A | 0.0000 | |
| 329 | D | A | 0.0000 | |
| 330 | C | A | -0.6424 | |
| 331 | K | A | -0.7052 | |
| 332 | I | A | 0.0000 | |
| 333 | M | A | -0.5329 | |
| 334 | T | A | 0.0000 | |
| 335 | S | A | -0.3794 | |
| 336 | K | A | 0.0000 | |
| 337 | T | A | -0.5698 | |
| 338 | D | A | -0.8743 | |
| 339 | V | A | -0.3616 | |
| 340 | S | A | -0.6897 | |
| 341 | S | A | -0.3540 | |
| 342 | S | A | 0.0491 | |
| 343 | V | A | 0.0362 | |
| 344 | I | A | 0.0000 | |
| 345 | T | A | 0.0000 | |
| 346 | S | A | 0.0000 | |
| 347 | L | A | 0.0000 | |
| 348 | G | A | 0.0000 | |
| 349 | A | A | 0.0000 | |
| 350 | I | A | 0.0000 | |
| 351 | V | A | 0.0000 | |
| 352 | S | A | 0.0000 | |
| 353 | C | A | 0.0000 | |
| 354 | Y | A | -1.1262 | |
| 355 | G | A | -1.6568 | |
| 356 | K | A | -2.2639 | |
| 357 | T | A | -1.5680 | |
| 358 | K | A | -1.6562 | |
| 359 | C | A | 0.0000 | |
| 360 | T | A | 0.1970 | |
| 361 | A | A | 0.0000 | |
| 362 | S | A | -0.1352 | |
| 363 | N | A | 0.0000 | |
| 364 | K | A | -2.3155 | |
| 365 | N | A | -2.7461 | |
| 366 | R | A | -1.6739 | |
| 367 | G | A | -1.0382 | |
| 368 | I | A | 0.2590 | |
| 369 | I | A | 1.5295 | |
| 370 | K | A | 0.5132 | |
| 371 | T | A | 0.2763 | |
| 372 | F | A | 0.5151 | |
| 373 | S | A | -0.8057 | |
| 374 | N | A | -1.3665 | |
| 375 | G | A | -0.8878 | |
| 376 | C | A | 0.0000 | |
| 377 | D | A | -0.6408 | |
| 378 | Y | A | 0.0000 | |
| 379 | V | A | -0.0565 | |
| 380 | S | A | 0.0000 | |
| 381 | N | A | -1.6863 | |
| 382 | K | A | -2.8181 | |
| 383 | G | A | 0.0000 | |
| 384 | V | A | 0.0000 | |
| 385 | D | A | 0.0000 | |
| 386 | T | A | -0.2316 | |
| 387 | V | A | 0.0000 | |
| 388 | S | A | -0.4390 | |
| 389 | V | A | 0.0000 | |
| 390 | G | A | -1.4330 | |
| 391 | N | A | -1.4533 | |
| 392 | T | A | 0.0000 | |
| 393 | L | A | 0.0099 | |
| 394 | Y | A | 0.0000 | |
| 395 | Y | A | 0.2352 | |
| 396 | V | A | 0.0000 | |
| 397 | N | A | -0.6646 | |
| 398 | K | A | -1.6152 | |
| 399 | Q | A | 0.0000 | |
| 400 | E | A | -3.4420 | |
| 401 | G | A | 0.0000 | |
| 402 | K | A | -2.7103 | |
| 403 | S | A | -0.7172 | |
| 404 | L | A | 1.1807 | |
| 405 | Y | A | 0.9809 | |
| 406 | V | A | 0.1888 | |
| 407 | K | A | -1.8381 | |
| 408 | G | A | -2.0043 | |
| 409 | E | A | -2.6616 | |
| 410 | P | A | -1.6555 | |
| 411 | I | A | 0.0000 | |
| 412 | I | A | -0.1091 | |
| 413 | N | A | -0.4770 | |
| 414 | F | A | 0.4407 | |
| 415 | Y | A | 0.8905 | |
| 416 | D | A | -0.2012 | |
| 417 | P | A | 0.3112 | |
| 418 | L | A | 0.6401 | |
| 419 | V | A | 0.2446 | |
| 420 | F | A | 0.0000 | |
| 421 | P | A | 0.0000 | |
| 422 | S | A | -0.3086 | |
| 423 | D | A | 0.0000 | |
| 424 | E | A | -0.5894 | |
| 425 | F | A | 0.0000 | |
| 426 | D | A | -0.8211 | |
| 427 | A | A | 0.0000 | |
| 428 | S | A | 0.0000 | |
| 429 | I | A | 0.0000 | |
| 430 | S | A | -1.0596 | |
| 431 | Q | A | 0.0000 | |
| 432 | V | A | 0.0000 | |
| 433 | N | A | -1.3637 | |
| 434 | E | A | -1.4011 | |
| 435 | K | A | 0.0000 | |
| 436 | I | A | -0.3486 | |
| 437 | N | A | -1.1774 | |
| 438 | Q | A | -0.9349 | |
| 439 | S | A | 0.0000 | |
| 440 | L | A | 0.6703 | |
| 441 | A | A | -0.2730 | |
| 442 | W | A | 0.0000 | |
| 443 | I | A | -0.0879 | |
| 444 | R | A | -1.9699 | |
| 445 | K | A | -1.4096 | |
| 446 | F | A | -1.0072 | |
| 447 | D | A | -2.4548 | |
| 448 | E | A | -2.0023 | |
| 449 | L | A | 0.0000 | |
| 450 | L | A | 0.2969 | |
| 451 | H | A | -0.9883 | |
| 1 | Q | B | -2.2313 | |
| 2 | N | B | -2.8728 | |
| 3 | I | B | 0.0000 | |
| 4 | T | B | -1.3817 | |
| 5 | E | B | 0.0000 | |
| 6 | E | B | 0.6351 | |
| 7 | F | B | 0.0000 | |
| 8 | Y | B | 0.0000 | |
| 9 | Q | B | -0.8575 | |
| 10 | S | B | -1.0249 | |
| 11 | T | B | 0.0000 | |
| 12 | C | B | 0.0000 | |
| 13 | S | B | 0.0000 | |
| 14 | A | B | 0.0000 | |
| 15 | V | B | 0.0000 | |
| 16 | S | B | 0.0000 | |
| 17 | K | B | -0.8935 | |
| 18 | G | B | -0.9753 | |
| 19 | Y | B | 0.0000 | |
| 20 | L | B | -0.6327 | |
| 21 | S | B | 0.0000 | |
| 22 | A | B | 0.0000 | |
| 23 | L | B | 0.0000 | |
| 24 | R | B | 0.0000 | |
| 25 | T | B | -0.0590 | |
| 26 | G | B | -0.0228 | |
| 27 | W | B | 0.2761 | |
| 28 | Y | B | 0.5155 | |
| 29 | T | B | 0.0000 | |
| 30 | S | B | 0.0000 | |
| 31 | V | B | 0.0000 | |
| 32 | I | B | 0.0000 | |
| 33 | T | B | 0.0000 | |
| 34 | I | B | 0.0000 | |
| 35 | E | B | -1.4211 | |
| 36 | L | B | 0.0000 | |
| 37 | S | B | 0.0000 | |
| 38 | N | B | -2.5958 | |
| 39 | I | B | -2.5645 | |
| 40 | K | B | -3.3691 | |
| 41 | E | B | -3.5802 | |
| 42 | P | B | -2.7341 | |
| 43 | K | B | -3.0974 | |
| 44 | C | B | -2.8565 | |
| 45 | N | B | -3.0826 | |
| 46 | G | B | -2.4889 | |
| 47 | T | B | -1.4501 | |
| 48 | D | B | -1.4042 | |
| 49 | A | B | -1.0828 | |
| 50 | K | B | 0.0000 | |
| 51 | V | B | 0.0000 | |
| 52 | K | B | -2.6968 | |
| 53 | L | B | -1.5890 | |
| 54 | I | B | 0.0000 | |
| 55 | K | B | -2.9432 | |
| 56 | Q | B | -2.2708 | |
| 57 | E | B | 0.0000 | |
| 58 | L | B | 0.0000 | |
| 59 | D | B | -2.7130 | |
| 60 | K | B | 0.0000 | |
| 61 | F | B | 0.0000 | mutated: YF61B |
| 62 | K | B | -1.8080 | |
| 63 | N | B | -0.8079 | |
| 64 | A | B | 0.0000 | |
| 65 | V | B | -0.8223 | |
| 66 | T | B | -0.4514 | |
| 67 | E | B | 0.0000 | |
| 68 | L | B | 0.0000 | |
| 69 | Q | B | -0.9177 | |
| 70 | L | B | -0.2609 | |
| 71 | L | B | 0.0000 | |
| 72 | M | B | -0.1091 | |
| 73 | Q | B | -0.5327 | |
| 74 | S | B | 0.0000 | |
| 75 | T | B | -0.1943 | |
| 76 | P | B | 0.0039 | |
| 77 | A | B | 0.0000 | |
| 78 | A | B | 0.0000 | |
| 79 | G | B | -0.4369 | |
| 80 | G | B | -0.6485 | |
| 81 | G | B | -0.6668 | |
| 82 | G | B | -0.4977 | |
| 83 | S | B | -0.0093 | |
| 84 | A | B | 0.1805 | |
| 85 | I | B | 0.4577 | |
| 86 | A | B | 0.0000 | |
| 87 | S | B | 0.0000 | |
| 88 | G | B | 0.0000 | |
| 89 | I | B | 0.1321 | |
| 90 | A | B | -0.1754 | |
| 91 | V | B | 0.0000 | |
| 92 | S | B | 0.0000 | |
| 93 | K | B | -0.5564 | |
| 94 | C | B | -0.1382 | |
| 95 | L | B | 0.0000 | |
| 96 | H | B | -1.0901 | |
| 97 | L | B | -0.3551 | |
| 98 | E | B | -2.0156 | |
| 99 | G | B | -2.0486 | |
| 100 | E | B | 0.0000 | |
| 101 | V | B | 0.0000 | |
| 102 | N | B | -2.8017 | |
| 103 | K | B | -2.4403 | |
| 104 | I | B | 0.0000 | |
| 105 | K | B | -2.0588 | |
| 106 | S | B | -1.1617 | |
| 107 | A | B | -0.5290 | |
| 108 | L | B | 0.0000 | |
| 109 | L | B | 0.1611 | |
| 110 | S | B | -0.4116 | |
| 111 | T | B | -0.4132 | |
| 112 | N | B | -0.7247 | |
| 113 | K | B | -1.3346 | |
| 114 | A | B | 0.1030 | |
| 115 | V | B | 1.3725 | |
| 116 | V | B | 0.0000 | |
| 117 | S | B | 0.2113 | |
| 118 | L | B | 0.0000 | |
| 119 | S | B | -0.0179 | |
| 120 | C | B | 0.2676 | |
| 121 | G | B | -0.1419 | |
| 122 | V | B | 0.6731 | |
| 123 | S | B | 0.7321 | |
| 124 | V | B | 0.0000 | |
| 125 | L | B | 0.6940 | |
| 126 | T | B | 0.0000 | |
| 127 | S | B | -0.3310 | |
| 128 | K | B | 0.0000 | |
| 129 | V | B | -0.3519 | |
| 130 | L | B | 0.0000 | |
| 131 | D | B | -0.6723 | |
| 132 | L | B | 0.0000 | |
| 133 | K | B | -1.9843 | |
| 134 | N | B | -2.1037 | |
| 135 | Y | B | -1.7078 | |
| 136 | I | B | 0.0000 | |
| 137 | D | B | -2.8824 | |
| 138 | K | B | -2.8132 | |
| 139 | Q | B | -1.5137 | |
| 140 | L | B | 0.0000 | |
| 141 | L | B | -1.6607 | |
| 142 | P | B | -1.4493 | |
| 143 | I | B | -1.4405 | |
| 144 | V | B | 0.0000 | |
| 145 | N | B | -2.5207 | |
| 146 | K | B | -2.9413 | |
| 147 | Q | B | -2.5242 | |
| 148 | S | B | -0.9829 | |
| 149 | C | B | -0.0979 | |
| 150 | S | B | -0.1747 | |
| 151 | I | B | -0.0419 | |
| 152 | P | B | -0.4731 | |
| 153 | N | B | -1.0647 | |
| 154 | I | B | 0.0000 | |
| 155 | E | B | 0.0000 | |
| 156 | T | B | 0.0000 | |
| 157 | V | B | 0.0000 | |
| 158 | I | B | -0.1006 | |
| 159 | E | B | -0.5435 | |
| 160 | F | B | 0.0000 | |
| 161 | Q | B | -0.4812 | |
| 162 | Q | B | -0.6208 | |
| 163 | K | B | -0.6636 | |
| 164 | L | B | 0.0000 | mutated: NL164B |
| 165 | N | B | -0.8538 | |
| 166 | R | B | -0.7499 | |
| 167 | F | B | 0.0000 | mutated: LF167B |
| 168 | L | B | -0.7183 | |
| 169 | E | B | -1.0416 | |
| 170 | I | B | 0.0000 | |
| 171 | T | B | 0.0000 | |
| 172 | R | B | -1.4381 | |
| 173 | E | B | -0.9215 | |
| 174 | F | B | 0.0000 | |
| 175 | S | B | 0.0000 | |
| 176 | V | B | -0.3407 | |
| 177 | N | B | -0.3278 | |
| 178 | A | B | -0.0017 | |
| 179 | G | B | 0.0000 | |
| 180 | V | B | 0.5495 | |
| 181 | T | B | 0.0000 | |
| 182 | T | B | -0.0766 | |
| 183 | P | B | -0.1148 | |
| 184 | V | B | 0.0000 | |
| 185 | S | B | 0.0000 | |
| 186 | T | B | -0.0964 | |
| 187 | Y | B | -0.1036 | |
| 188 | M | B | 0.0000 | |
| 189 | L | B | 0.0000 | |
| 190 | T | B | -0.3117 | |
| 191 | N | B | 0.0000 | |
| 192 | S | B | -0.6316 | |
| 193 | E | B | -0.8137 | |
| 194 | L | B | 0.0000 | |
| 195 | L | B | -0.8612 | |
| 196 | S | B | -1.0490 | |
| 197 | L | B | 0.0000 | |
| 198 | I | B | 0.0000 | |
| 199 | N | B | -2.7322 | |
| 200 | D | B | -2.6148 | |
| 201 | M | B | -1.1383 | |
| 202 | P | B | -1.8197 | |
| 203 | I | B | -0.9778 | |
| 204 | T | B | -1.7539 | |
| 205 | N | B | -3.1879 | |
| 206 | D | B | -3.2180 | |
| 207 | Q | B | -2.0081 | |
| 208 | K | B | 0.0000 | |
| 209 | K | B | -3.1807 | |
| 210 | L | B | -1.6809 | |
| 211 | M | B | 0.0000 | |
| 212 | S | B | -1.0534 | |
| 213 | N | B | -0.8362 | |
| 214 | N | B | 0.0000 | |
| 215 | V | B | 0.0000 | |
| 216 | P | B | 0.0000 | |
| 217 | I | B | 0.0000 | |
| 218 | V | B | 0.0000 | |
| 219 | R | B | 0.0000 | |
| 220 | Q | B | -0.6361 | |
| 221 | Q | B | -0.7245 | |
| 222 | S | B | 0.0000 | |
| 223 | Y | B | 0.2137 | |
| 224 | S | B | 0.0000 | |
| 225 | I | B | 0.0000 | |
| 226 | M | B | 0.0000 | |
| 227 | S | B | -0.3847 | |
| 228 | I | B | 0.0000 | |
| 229 | I | B | 0.0000 | |
| 230 | K | B | -2.8885 | |
| 231 | E | B | -3.4253 | |
| 232 | E | B | -2.6436 | |
| 233 | V | B | 0.0000 | |
| 234 | L | B | 0.0000 | |
| 235 | A | B | 0.0000 | |
| 236 | Y | B | 0.0000 | |
| 237 | V | B | 0.0000 | |
| 238 | V | B | 0.0000 | |
| 239 | Q | B | 0.0000 | |
| 240 | L | B | 0.0000 | |
| 241 | P | B | 0.0000 | |
| 242 | L | B | 0.2121 | |
| 243 | Y | B | 0.0000 | |
| 244 | G | B | -0.1450 | |
| 245 | V | B | -0.1015 | |
| 246 | I | B | -0.4875 | |
| 247 | D | B | -1.6098 | |
| 248 | T | B | 0.0000 | |
| 249 | P | B | -0.8031 | |
| 250 | C | B | 0.0000 | |
| 251 | W | B | -0.0932 | |
| 252 | K | B | 0.0000 | |
| 253 | L | B | 0.0000 | |
| 254 | H | B | 0.0000 | |
| 255 | T | B | -0.5582 | |
| 256 | S | B | 0.0000 | |
| 257 | P | B | -0.1027 | |
| 258 | L | B | 0.0000 | |
| 259 | C | B | 0.0000 | |
| 260 | T | B | -0.3547 | |
| 261 | T | B | -0.2083 | |
| 262 | N | B | -0.6756 | |
| 263 | T | B | -0.9042 | |
| 264 | K | B | 0.0000 | |
| 265 | E | B | -1.9143 | |
| 266 | G | B | -1.4010 | |
| 267 | S | B | -0.7358 | |
| 268 | N | B | 0.0000 | |
| 269 | I | B | 0.2581 | |
| 270 | C | B | 0.0000 | |
| 271 | L | B | 0.0000 | |
| 272 | T | B | 0.0000 | |
| 273 | R | B | 0.0000 | |
| 274 | T | B | -1.3125 | |
| 275 | D | B | -2.2775 | |
| 276 | R | B | -1.8689 | |
| 277 | G | B | 0.0000 | |
| 278 | W | B | 0.0000 | |
| 279 | Y | B | 0.0000 | |
| 280 | C | B | 0.0000 | |
| 281 | D | B | -1.1892 | |
| 282 | N | B | -1.1672 | |
| 283 | A | B | -0.6608 | |
| 284 | G | B | -0.7613 | |
| 285 | S | B | -0.5582 | |
| 286 | V | B | 0.0000 | |
| 287 | S | B | 0.0000 | |
| 288 | F | B | 0.0033 | |
| 289 | F | B | 0.0000 | |
| 290 | P | B | -1.6744 | |
| 291 | Q | B | -2.4911 | |
| 292 | A | B | -2.1061 | |
| 293 | E | B | -2.3902 | |
| 294 | T | B | -1.4257 | |
| 295 | C | B | -0.8466 | |
| 296 | K | B | -0.5941 | |
| 297 | V | B | -0.1496 | |
| 298 | Q | B | 0.0000 | |
| 299 | S | B | -0.6565 | |
| 300 | N | B | -0.9249 | |
| 301 | R | B | -0.6662 | |
| 302 | V | B | 0.0000 | |
| 303 | F | B | 0.0000 | |
| 304 | C | B | 0.0000 | |
| 305 | D | B | -0.6585 | |
| 306 | T | B | 0.0000 | |
| 307 | M | B | -0.2973 | |
| 308 | N | B | -1.1809 | |
| 309 | S | B | 0.0000 | |
| 310 | L | B | 0.4131 | |
| 311 | T | B | 0.0000 | |
| 312 | L | B | 0.0792 | |
| 313 | P | B | -0.4777 | |
| 314 | P | B | -0.6433 | |
| 315 | E | B | -0.4385 | |
| 316 | V | B | -0.1629 | |
| 317 | N | B | -0.4507 | |
| 318 | L | B | 0.0000 | |
| 319 | C | B | 0.0000 | |
| 320 | N | B | 0.0000 | |
| 321 | V | B | -0.0436 | |
| 322 | D | B | -1.5271 | |
| 323 | I | B | 0.0000 | |
| 324 | F | B | -0.5989 | |
| 325 | N | B | -1.2221 | |
| 326 | P | B | -0.9545 | |
| 327 | K | B | -1.1788 | |
| 328 | Y | B | -0.7356 | |
| 329 | D | B | -0.7718 | |
| 330 | C | B | 0.0000 | |
| 331 | K | B | -0.7334 | |
| 332 | I | B | 0.0000 | |
| 333 | M | B | 0.1688 | |
| 334 | T | B | 0.0000 | |
| 335 | S | B | 0.0282 | |
| 336 | K | B | -0.1552 | |
| 337 | T | B | -0.4635 | |
| 338 | D | B | -0.3454 | |
| 339 | V | B | -0.1902 | |
| 340 | S | B | 0.0000 | |
| 341 | S | B | -0.2088 | |
| 342 | S | B | 0.0000 | |
| 343 | V | B | 0.4534 | |
| 344 | I | B | 0.0000 | |
| 345 | T | B | -0.0045 | |
| 346 | S | B | 0.0000 | |
| 347 | L | B | -1.0112 | |
| 348 | G | B | 0.0000 | |
| 349 | A | B | 0.0000 | |
| 350 | I | B | 0.0000 | |
| 351 | V | B | 0.0000 | |
| 352 | S | B | -0.3544 | |
| 353 | C | B | 0.0000 | |
| 354 | Y | B | 0.0000 | |
| 355 | G | B | -1.5374 | |
| 356 | K | B | -1.7120 | |
| 357 | T | B | -1.5378 | |
| 358 | K | B | -2.1061 | |
| 359 | C | B | 0.0000 | |
| 360 | T | B | -0.0953 | |
| 361 | A | B | 0.0000 | |
| 362 | S | B | -0.1850 | |
| 363 | N | B | 0.0000 | |
| 364 | K | B | -2.0326 | |
| 365 | N | B | -2.5196 | |
| 366 | R | B | -2.6073 | |
| 367 | G | B | -1.1973 | |
| 368 | I | B | 0.3271 | |
| 369 | I | B | 1.4097 | |
| 370 | K | B | 0.1673 | |
| 371 | T | B | -0.0640 | |
| 372 | F | B | -0.1058 | |
| 373 | S | B | -0.7016 | |
| 374 | N | B | -0.7353 | |
| 375 | G | B | -0.4934 | |
| 376 | C | B | -0.3574 | |
| 377 | D | B | -0.3019 | |
| 378 | Y | B | 0.0000 | |
| 379 | V | B | 0.1468 | |
| 380 | S | B | -0.2200 | |
| 381 | N | B | -1.1603 | |
| 382 | K | B | -1.6919 | |
| 383 | G | B | 0.0000 | |
| 384 | V | B | 0.0000 | |
| 385 | D | B | 0.0000 | |
| 386 | T | B | 0.0000 | |
| 387 | V | B | 0.0000 | |
| 388 | S | B | -0.2944 | |
| 389 | V | B | 0.0000 | |
| 390 | G | B | -0.9866 | |
| 391 | N | B | -0.7828 | |
| 392 | T | B | 0.0000 | |
| 393 | L | B | 0.0504 | |
| 394 | Y | B | 0.2111 | |
| 395 | Y | B | 0.0000 | |
| 396 | V | B | 0.0000 | |
| 397 | N | B | 0.0000 | |
| 398 | K | B | -1.4987 | |
| 399 | Q | B | -1.9037 | |
| 400 | E | B | -3.2432 | |
| 401 | G | B | -2.6829 | |
| 402 | K | B | -2.3565 | |
| 403 | S | B | -0.3611 | |
| 404 | L | B | 1.3554 | |
| 405 | Y | B | 1.6500 | |
| 406 | V | B | 0.3184 | |
| 407 | K | B | -1.4988 | |
| 408 | G | B | -1.3285 | |
| 409 | E | B | -1.4093 | |
| 410 | P | B | -0.8158 | |
| 411 | I | B | 0.0000 | |
| 412 | I | B | 0.0000 | |
| 413 | N | B | -1.4426 | |
| 414 | F | B | -0.0684 | |
| 415 | Y | B | 0.0000 | |
| 416 | D | B | -1.4004 | |
| 417 | P | B | -0.0917 | |
| 418 | L | B | 1.3542 | |
| 419 | V | B | 0.8801 | |
| 420 | F | B | 0.0000 | |
| 421 | P | B | 0.0000 | |
| 422 | S | B | -0.1114 | |
| 423 | D | B | -0.2879 | |
| 424 | E | B | 0.0000 | |
| 425 | F | B | 0.2008 | |
| 426 | D | B | -0.0828 | |
| 427 | A | B | 0.0000 | |
| 428 | S | B | 0.0000 | |
| 429 | I | B | 0.0000 | |
| 430 | S | B | 0.0000 | |
| 431 | Q | B | -1.1528 | |
| 432 | V | B | 0.0000 | |
| 433 | N | B | -1.4902 | |
| 434 | E | B | -2.7628 | |
| 435 | K | B | -1.9384 | |
| 436 | I | B | -1.2492 | |
| 437 | N | B | -2.3240 | |
| 438 | Q | B | -2.2881 | |
| 439 | S | B | -1.2662 | |
| 440 | L | B | -0.7651 | |
| 441 | A | B | -1.5102 | |
| 442 | W | B | -0.8837 | |
| 443 | I | B | -1.1719 | |
| 444 | R | B | -2.4914 | |
| 445 | K | B | -1.3977 | |
| 446 | F | B | 0.0000 | |
| 447 | D | B | -1.6495 | |
| 448 | E | B | -1.7843 | |
| 449 | L | B | 0.2876 | |
| 450 | L | B | -0.5182 | |
| 451 | H | B | -0.8684 | |
| 1 | Q | C | -1.9324 | |
| 2 | N | C | -2.2182 | |
| 3 | I | C | 0.0000 | |
| 4 | T | C | -1.1222 | |
| 5 | E | C | 0.0000 | |
| 6 | E | C | 0.2020 | |
| 7 | F | C | 0.0000 | |
| 8 | Y | C | 0.0000 | |
| 9 | Q | C | -1.3457 | |
| 10 | S | C | -0.8780 | |
| 11 | T | C | 0.0000 | |
| 12 | C | C | 0.0000 | |
| 13 | S | C | 0.0000 | |
| 14 | A | C | 0.0000 | |
| 15 | V | C | 0.0000 | |
| 16 | S | C | 0.0000 | |
| 17 | K | C | -1.3346 | |
| 18 | G | C | -1.0371 | |
| 19 | Y | C | 0.0000 | |
| 20 | L | C | -0.2371 | |
| 21 | S | C | 0.0000 | |
| 22 | A | C | -0.0907 | |
| 23 | L | C | 0.0000 | |
| 24 | R | C | 0.0000 | |
| 25 | T | C | -0.1338 | |
| 26 | G | C | 0.2288 | |
| 27 | W | C | 0.0000 | |
| 28 | Y | C | 0.9005 | |
| 29 | T | C | 0.0000 | |
| 30 | S | C | 0.0000 | |
| 31 | V | C | 0.0000 | |
| 32 | I | C | 0.0000 | |
| 33 | T | C | 0.0000 | |
| 34 | I | C | 0.0000 | |
| 35 | E | C | -1.0852 | |
| 36 | L | C | 0.0000 | |
| 37 | S | C | 0.0000 | |
| 38 | N | C | -2.1621 | |
| 39 | I | C | -2.2649 | |
| 40 | K | C | -3.1712 | |
| 41 | E | C | -3.3784 | |
| 42 | P | C | -3.1121 | |
| 43 | K | C | -3.7055 | |
| 44 | C | C | 0.0000 | |
| 45 | N | C | -2.5663 | |
| 46 | G | C | -1.7002 | |
| 47 | T | C | -1.2482 | |
| 48 | D | C | -2.1682 | |
| 49 | A | C | -1.5349 | |
| 50 | K | C | -1.3272 | |
| 51 | V | C | 0.0000 | |
| 52 | K | C | -1.5714 | |
| 53 | L | C | 0.0000 | |
| 54 | I | C | 0.0000 | |
| 55 | K | C | -2.0974 | |
| 56 | Q | C | -1.6363 | |
| 57 | E | C | 0.0000 | |
| 58 | L | C | 0.0000 | |
| 59 | D | C | -2.8471 | |
| 60 | K | C | -1.6797 | |
| 61 | F | C | 0.0000 | mutated: YF61C |
| 62 | K | C | -2.6241 | |
| 63 | N | C | -1.6549 | |
| 64 | A | C | 0.0000 | |
| 65 | V | C | 0.0000 | |
| 66 | T | C | -0.8651 | |
| 67 | E | C | 0.0000 | |
| 68 | L | C | 0.0000 | |
| 69 | Q | C | -1.0683 | |
| 70 | L | C | 0.0000 | |
| 71 | L | C | 0.0000 | |
| 72 | M | C | -0.7668 | |
| 73 | Q | C | -1.3997 | |
| 74 | S | C | 0.0000 | |
| 75 | T | C | -0.4621 | |
| 76 | P | C | -0.2501 | |
| 77 | A | C | -0.3606 | |
| 78 | A | C | -0.1748 | |
| 79 | G | C | -0.4589 | |
| 80 | G | C | 0.0000 | |
| 81 | G | C | -0.8036 | |
| 82 | G | C | -0.3097 | |
| 83 | S | C | 0.0402 | |
| 84 | A | C | 0.1853 | |
| 85 | I | C | 0.3115 | |
| 86 | A | C | 0.0000 | |
| 87 | S | C | 0.2006 | |
| 88 | G | C | 0.0000 | |
| 89 | I | C | 0.0000 | |
| 90 | A | C | 0.0000 | |
| 91 | V | C | 0.0000 | |
| 92 | S | C | 0.0000 | |
| 93 | K | C | -0.6582 | |
| 94 | C | C | 0.0000 | |
| 95 | L | C | 0.0000 | |
| 96 | H | C | -0.9387 | |
| 97 | L | C | -0.3498 | |
| 98 | E | C | -2.0128 | |
| 99 | G | C | -1.8505 | |
| 100 | E | C | 0.0000 | |
| 101 | V | C | 0.0000 | |
| 102 | N | C | -2.4837 | |
| 103 | K | C | -2.2607 | |
| 104 | I | C | 0.0000 | |
| 105 | K | C | -1.1772 | |
| 106 | S | C | -0.7549 | |
| 107 | A | C | -0.1529 | |
| 108 | L | C | 0.2094 | |
| 109 | L | C | 0.8559 | |
| 110 | S | C | -0.1771 | |
| 111 | T | C | -0.3213 | |
| 112 | N | C | -0.9805 | |
| 113 | K | C | -1.2739 | |
| 114 | A | C | 0.3102 | |
| 115 | V | C | 1.5984 | |
| 116 | V | C | 0.6634 | |
| 117 | S | C | 0.4236 | |
| 118 | L | C | 0.1894 | |
| 119 | S | C | -0.0992 | |
| 120 | C | C | -0.4920 | |
| 121 | G | C | -0.7478 | |
| 122 | V | C | 0.0085 | |
| 123 | S | C | 0.4799 | |
| 124 | V | C | 0.0000 | |
| 125 | L | C | 0.6083 | |
| 126 | T | C | 0.0000 | |
| 127 | S | C | 0.0000 | |
| 128 | K | C | -0.4950 | |
| 129 | V | C | -0.0033 | |
| 130 | L | C | 0.0012 | |
| 131 | D | C | -0.6253 | |
| 132 | L | C | 0.0000 | |
| 133 | K | C | -1.6688 | |
| 134 | N | C | -1.8246 | |
| 135 | Y | C | -0.9783 | |
| 136 | I | C | 0.0000 | |
| 137 | D | C | -1.9476 | |
| 138 | K | C | -2.2000 | |
| 139 | Q | C | -1.2822 | |
| 140 | L | C | 0.0000 | |
| 141 | L | C | -1.8692 | |
| 142 | P | C | -1.6159 | |
| 143 | I | C | -1.2298 | |
| 144 | V | C | 0.0000 | |
| 145 | N | C | -2.8930 | |
| 146 | K | C | -2.8518 | |
| 147 | Q | C | -2.6350 | |
| 148 | S | C | -1.1473 | |
| 149 | C | C | -0.3481 | |
| 150 | S | C | -0.4282 | |
| 151 | I | C | 0.0000 | |
| 152 | P | C | 0.0000 | |
| 153 | N | C | -0.2618 | |
| 154 | I | C | 0.0000 | |
| 155 | E | C | -0.6882 | |
| 156 | T | C | 0.0000 | |
| 157 | V | C | 0.0000 | |
| 158 | I | C | -0.1861 | |
| 159 | E | C | -0.7866 | |
| 160 | F | C | 0.0000 | |
| 161 | Q | C | -0.6774 | |
| 162 | Q | C | -0.8231 | |
| 163 | K | C | 0.0000 | |
| 164 | L | C | 0.0000 | mutated: NL164C |
| 165 | N | C | -1.3479 | |
| 166 | R | C | -0.8097 | |
| 167 | F | C | 0.0000 | mutated: LF167C |
| 168 | L | C | -0.3888 | |
| 169 | E | C | -0.6714 | |
| 170 | I | C | 0.0000 | |
| 171 | T | C | -0.1472 | |
| 172 | R | C | -0.2712 | |
| 173 | E | C | -0.2275 | |
| 174 | F | C | 0.0000 | |
| 175 | S | C | 0.0000 | |
| 176 | V | C | 0.3374 | |
| 177 | N | C | -0.1042 | |
| 178 | A | C | 0.0000 | |
| 179 | G | C | 0.0000 | |
| 180 | V | C | 0.4110 | |
| 181 | T | C | 0.1526 | |
| 182 | T | C | 0.0526 | |
| 183 | P | C | -0.0056 | |
| 184 | V | C | 0.0000 | |
| 185 | S | C | -0.2612 | |
| 186 | T | C | 0.0000 | |
| 187 | Y | C | -0.0668 | |
| 188 | M | C | 0.0000 | |
| 189 | L | C | 0.0000 | |
| 190 | T | C | -0.0562 | |
| 191 | N | C | -0.1870 | |
| 192 | S | C | -0.2196 | |
| 193 | E | C | -0.5305 | |
| 194 | L | C | 0.0000 | |
| 195 | L | C | -0.1346 | |
| 196 | S | C | -0.8662 | |
| 197 | L | C | 0.0000 | |
| 198 | I | C | 0.0000 | |
| 199 | N | C | -2.2838 | |
| 200 | D | C | -1.8903 | |
| 201 | M | C | 0.0000 | |
| 202 | P | C | -0.8449 | |
| 203 | I | C | -1.0680 | |
| 204 | T | C | -1.2662 | |
| 205 | N | C | -2.2797 | |
| 206 | D | C | -2.1505 | |
| 207 | Q | C | 0.0000 | |
| 208 | K | C | -2.2916 | |
| 209 | K | C | -2.6777 | |
| 210 | L | C | 0.0000 | |
| 211 | M | C | 0.0000 | |
| 212 | S | C | -0.8721 | |
| 213 | N | C | -0.9050 | |
| 214 | N | C | 0.0000 | |
| 215 | V | C | 0.0000 | |
| 216 | P | C | 0.0000 | |
| 217 | I | C | 0.0000 | |
| 218 | V | C | 0.0000 | |
| 219 | R | C | 0.0000 | |
| 220 | Q | C | -0.2723 | |
| 221 | Q | C | -0.1711 | |
| 222 | S | C | 0.0000 | |
| 223 | Y | C | 0.2914 | |
| 224 | S | C | 0.0000 | |
| 225 | I | C | 0.0000 | |
| 226 | M | C | 0.0000 | |
| 227 | S | C | 0.0000 | |
| 228 | I | C | 0.0000 | |
| 229 | I | C | 0.0000 | |
| 230 | K | C | -1.8237 | |
| 231 | E | C | -2.1193 | |
| 232 | E | C | -1.6334 | |
| 233 | V | C | 0.0000 | |
| 234 | L | C | 0.0000 | |
| 235 | A | C | 0.0000 | |
| 236 | Y | C | 0.0000 | |
| 237 | V | C | 0.0000 | |
| 238 | V | C | 0.0000 | |
| 239 | Q | C | 0.0000 | |
| 240 | L | C | 0.0000 | |
| 241 | P | C | 0.0000 | |
| 242 | L | C | 0.0000 | |
| 243 | Y | C | 0.1302 | |
| 244 | G | C | -0.2104 | |
| 245 | V | C | -0.1918 | |
| 246 | I | C | -0.4645 | |
| 247 | D | C | -1.4284 | |
| 248 | T | C | -0.6697 | |
| 249 | P | C | -0.6527 | |
| 250 | C | C | 0.0000 | |
| 251 | W | C | -0.3121 | |
| 252 | K | C | 0.0000 | |
| 253 | L | C | 0.0000 | |
| 254 | H | C | 0.0000 | |
| 255 | T | C | 0.0000 | |
| 256 | S | C | -0.8054 | |
| 257 | P | C | -0.3256 | |
| 258 | L | C | 0.0000 | |
| 259 | C | C | 0.0000 | |
| 260 | T | C | -0.0369 | |
| 261 | T | C | 0.0000 | |
| 262 | N | C | 0.0000 | |
| 263 | T | C | 0.0000 | |
| 264 | K | C | -1.7073 | |
| 265 | E | C | -2.0242 | |
| 266 | G | C | -1.2442 | |
| 267 | S | C | -1.0151 | |
| 268 | N | C | 0.0000 | |
| 269 | I | C | 0.0000 | |
| 270 | C | C | 0.0000 | |
| 271 | L | C | 0.0000 | |
| 272 | T | C | 0.0000 | |
| 273 | R | C | 0.0000 | |
| 274 | T | C | -1.6820 | |
| 275 | D | C | -2.9027 | |
| 276 | R | C | -3.0923 | |
| 277 | G | C | 0.0000 | |
| 278 | W | C | 0.0000 | |
| 279 | Y | C | 0.0000 | |
| 280 | C | C | 0.0000 | |
| 281 | D | C | -0.6821 | |
| 282 | N | C | 0.0000 | |
| 283 | A | C | -0.2745 | |
| 284 | G | C | -0.5437 | |
| 285 | S | C | -0.5091 | |
| 286 | V | C | 0.0000 | |
| 287 | S | C | -0.4039 | |
| 288 | F | C | 0.0000 | |
| 289 | F | C | 0.0000 | |
| 290 | P | C | -1.6678 | |
| 291 | Q | C | -2.4611 | |
| 292 | A | C | -2.2964 | |
| 293 | E | C | -2.4296 | |
| 294 | T | C | -1.2093 | |
| 295 | C | C | -0.8302 | |
| 296 | K | C | -0.6363 | |
| 297 | V | C | -0.0939 | |
| 298 | Q | C | 0.0000 | |
| 299 | S | C | -0.5613 | |
| 300 | N | C | -0.7331 | |
| 301 | R | C | -0.3866 | |
| 302 | V | C | 0.0000 | |
| 303 | F | C | 0.1595 | |
| 304 | C | C | -0.2194 | |
| 305 | D | C | -0.3467 | |
| 306 | T | C | -0.2309 | |
| 307 | M | C | 0.0485 | |
| 308 | N | C | -0.5417 | |
| 309 | S | C | -0.2994 | |
| 310 | L | C | -0.2315 | |
| 311 | T | C | -0.6329 | |
| 312 | L | C | -0.3581 | |
| 313 | P | C | -0.4754 | |
| 314 | P | C | -0.1971 | |
| 315 | E | C | 0.0000 | |
| 316 | V | C | 0.0000 | |
| 317 | N | C | -0.0345 | |
| 318 | L | C | 0.6698 | |
| 319 | C | C | 0.0000 | |
| 320 | N | C | 0.7371 | |
| 321 | V | C | 1.9701 | |
| 322 | D | C | 1.5578 | |
| 323 | I | C | 2.2910 | |
| 324 | F | C | 1.5994 | |
| 325 | N | C | 0.1364 | |
| 326 | P | C | -0.9128 | |
| 327 | K | C | -2.2290 | |
| 328 | Y | C | -1.1775 | |
| 329 | D | C | 0.0000 | |
| 330 | C | C | -0.3619 | |
| 331 | K | C | -0.9259 | |
| 332 | I | C | 0.0000 | |
| 333 | M | C | 0.0157 | |
| 334 | T | C | 0.0000 | |
| 335 | S | C | 0.1124 | |
| 336 | K | C | 0.0000 | |
| 337 | T | C | -0.0410 | |
| 338 | D | C | 0.0000 | |
| 339 | V | C | 0.0000 | |
| 340 | S | C | 0.0000 | |
| 341 | S | C | -0.1539 | |
| 342 | S | C | -0.0624 | |
| 343 | V | C | 0.0000 | |
| 344 | I | C | 0.0419 | |
| 345 | T | C | 0.0000 | |
| 346 | S | C | 0.0000 | |
| 347 | L | C | 0.0000 | |
| 348 | G | C | 0.0000 | |
| 349 | A | C | 0.0000 | |
| 350 | I | C | 0.0000 | |
| 351 | V | C | 0.0000 | |
| 352 | S | C | 0.0000 | |
| 353 | C | C | 0.0000 | |
| 354 | Y | C | -0.5476 | |
| 355 | G | C | -0.8726 | |
| 356 | K | C | -1.3400 | |
| 357 | T | C | 0.0000 | |
| 358 | K | C | -1.5880 | |
| 359 | C | C | 0.0000 | |
| 360 | T | C | 0.1978 | |
| 361 | A | C | 0.0000 | |
| 362 | S | C | 0.0000 | |
| 363 | N | C | -1.4822 | |
| 364 | K | C | -1.8599 | |
| 365 | N | C | -1.7764 | |
| 366 | R | C | -2.0634 | |
| 367 | G | C | -0.4055 | |
| 368 | I | C | 1.4366 | |
| 369 | I | C | 1.8188 | |
| 370 | K | C | 0.1986 | |
| 371 | T | C | 0.6075 | |
| 372 | F | C | 0.9992 | |
| 373 | S | C | -0.1813 | |
| 374 | N | C | -0.4949 | |
| 375 | G | C | -0.5542 | |
| 376 | C | C | 0.0000 | |
| 377 | D | C | -0.8427 | |
| 378 | Y | C | 0.0000 | |
| 379 | V | C | -0.1015 | |
| 380 | S | C | -0.2370 | |
| 381 | N | C | 0.0000 | |
| 382 | K | C | -2.0883 | |
| 383 | G | C | -1.0594 | |
| 384 | V | C | 0.0000 | |
| 385 | D | C | -1.5817 | |
| 386 | T | C | 0.0000 | |
| 387 | V | C | 0.0000 | |
| 388 | S | C | -0.4439 | |
| 389 | V | C | 0.0000 | |
| 390 | G | C | -0.7864 | |
| 391 | N | C | -0.2545 | |
| 392 | T | C | 0.0000 | |
| 393 | L | C | -0.0953 | |
| 394 | Y | C | 0.0000 | |
| 395 | Y | C | 0.0000 | |
| 396 | V | C | 0.0000 | |
| 397 | N | C | -1.1115 | |
| 398 | K | C | 0.0000 | |
| 399 | Q | C | -2.1959 | |
| 400 | E | C | 0.0000 | |
| 401 | G | C | -1.8747 | |
| 402 | K | C | -2.2238 | |
| 403 | S | C | -0.4421 | |
| 404 | L | C | 0.8851 | |
| 405 | Y | C | 1.3578 | |
| 406 | V | C | 0.6110 | |
| 407 | K | C | -1.7024 | |
| 408 | G | C | -1.8316 | |
| 409 | E | C | -2.2922 | |
| 410 | P | C | -1.0386 | |
| 411 | I | C | -0.0119 | |
| 412 | I | C | 0.7199 | |
| 413 | N | C | 0.0000 | |
| 414 | F | C | 1.4238 | |
| 415 | Y | C | 0.5202 | |
| 416 | D | C | -0.9389 | |
| 417 | P | C | -0.4668 | |
| 418 | L | C | 0.0000 | |
| 419 | V | C | 1.2881 | |
| 420 | F | C | 0.0000 | |
| 421 | P | C | -0.3876 | |
| 422 | S | C | -0.2871 | |
| 423 | D | C | -0.2053 | |
| 424 | E | C | 0.0000 | |
| 425 | F | C | 0.6166 | |
| 426 | D | C | -0.1299 | |
| 427 | A | C | 0.0000 | |
| 428 | S | C | 0.0000 | |
| 429 | I | C | 0.0000 | |
| 430 | S | C | -1.2900 | |
| 431 | Q | C | 0.0000 | |
| 432 | V | C | 0.0000 | |
| 433 | N | C | -1.6017 | |
| 434 | E | C | -1.6952 | |
| 435 | K | C | -0.9754 | |
| 436 | I | C | 0.0000 | |
| 437 | N | C | -1.0966 | |
| 438 | Q | C | -0.5109 | |
| 439 | S | C | -0.0214 | |
| 440 | L | C | 0.7421 | |
| 441 | A | C | -0.1282 | |
| 442 | W | C | 0.0602 | |
| 443 | I | C | -0.0496 | |
| 444 | R | C | -1.9053 | |
| 445 | K | C | -1.8112 | |
| 446 | F | C | -1.1679 | |
| 447 | D | C | -2.5758 | |
| 448 | E | C | -2.7002 | |
| 449 | L | C | -0.5945 | |
| 450 | L | C | -0.1810 | |
| 451 | H | C | -1.4056 |
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, -0.5217 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_2 | -0.5217 | View | CSV | PDB |
| model_7 | -0.522 | View | CSV | PDB |
| model_4 | -0.531 | View | CSV | PDB |
| model_9 | -0.5321 | View | CSV | PDB |
| model_10 | -0.5356 | View | CSV | PDB |
| model_11 | -0.538 | View | CSV | PDB |
| CABS_average | -0.5416 | View | CSV | PDB |
| model_6 | -0.5443 | View | CSV | PDB |
| model_5 | -0.5462 | View | CSV | PDB |
| model_0 | -0.5466 | View | CSV | PDB |
| model_3 | -0.5476 | View | CSV | PDB |
| model_8 | -0.5626 | View | CSV | PDB |
| model_1 | -0.5717 | View | CSV | PDB |
| input | -0.6419 | 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