Project name: RSV_86F227L230F_189V190I191I [mutate: YF61A, NL164A, LF167A, TV126A, SI127A, KI128A, YF61C, NL164C, LF167C, TV126C, SI127C, KI128C, YF61B, NL164B, LF167B, TV126B, SI127B, KI128B]
Status: done
Started: 2025-12-11 15:45:47
| 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 | LF167B,KI128A,YF61B,LF167C,NL164C,TV126B,YF61A,YF61C,NL164A,KI128C,LF167A,SI127B,NL164B,KI128B,TV126C,SI127C,TV126A,SI127A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -9.0189 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 (00:42:51)
[INFO] CABS: Running CABS flex simulation (00:56:43)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (10:39:04)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (10:39:34)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (10:40:05)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (10:40:34)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (10:41:05)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (10:41:35)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (10:42:06)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (10:42:38)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (10:43:08)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (10:43:40)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (10:44:10)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (10:44:40)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (10:45:11)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (10:46:11)
[INFO] Main: Simulation completed successfully. (10:46:39)
|
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
- -3.9692
- Maximal score value
- 1.9397
- Average score
- -0.513
- Total score value
- -694.1311
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 | -0.7071 | |
| 2 | N | A | 0.0000 | |
| 3 | I | A | 1.0650 | |
| 4 | T | A | 0.0294 | |
| 5 | E | A | 0.0000 | |
| 6 | E | A | -0.1260 | |
| 7 | F | A | 0.0000 | |
| 8 | Y | A | 0.0177 | |
| 9 | Q | A | 0.0000 | |
| 10 | S | A | -0.3212 | |
| 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 | -0.6974 | |
| 18 | G | A | 0.0954 | |
| 19 | Y | A | 0.0000 | |
| 20 | L | A | 0.0978 | |
| 21 | S | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | R | A | 0.0000 | |
| 25 | T | A | 0.0110 | |
| 26 | G | A | -0.0161 | |
| 27 | W | A | 0.0000 | |
| 28 | Y | A | 0.1387 | |
| 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 | -1.4246 | |
| 36 | L | A | 0.0000 | |
| 37 | S | A | -2.3955 | |
| 38 | N | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | K | A | -3.1336 | |
| 41 | E | A | -3.3852 | |
| 42 | P | A | 0.0000 | |
| 43 | K | A | -3.8413 | |
| 44 | C | A | 0.0000 | |
| 45 | N | A | -3.1738 | |
| 46 | G | A | -2.1710 | |
| 47 | T | A | -1.9038 | |
| 48 | D | A | -2.1629 | |
| 49 | A | A | -1.5456 | |
| 50 | K | A | -1.5404 | |
| 51 | V | A | 0.0000 | |
| 52 | K | A | -2.0420 | |
| 53 | L | A | 0.0000 | |
| 54 | I | A | 0.0000 | |
| 55 | K | A | -3.0181 | |
| 56 | Q | A | -1.9303 | |
| 57 | E | A | 0.0000 | |
| 58 | L | A | 0.0000 | |
| 59 | D | A | -2.2005 | |
| 60 | K | A | -1.4703 | |
| 61 | F | A | 0.0000 | mutated: YF61A |
| 62 | K | A | -1.8533 | |
| 63 | N | A | -1.1160 | |
| 64 | A | A | 0.0000 | |
| 65 | V | A | -0.9361 | |
| 66 | T | A | -0.7508 | |
| 67 | E | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | Q | A | -1.1924 | |
| 70 | L | A | -0.6427 | |
| 71 | L | A | 0.0000 | |
| 72 | M | A | 0.0000 | |
| 73 | Q | A | -1.5589 | |
| 74 | S | A | 0.0000 | |
| 75 | T | A | -0.3716 | |
| 76 | P | A | -0.1926 | |
| 77 | A | A | 0.0000 | |
| 78 | A | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | G | A | 0.0000 | |
| 81 | G | A | -0.7732 | |
| 82 | G | A | -0.4202 | |
| 83 | S | A | 0.0172 | |
| 84 | A | A | 0.2032 | |
| 85 | I | A | 0.3813 | |
| 86 | A | A | 0.0000 | |
| 87 | S | A | -0.1713 | |
| 88 | G | A | 0.0000 | |
| 89 | I | A | 0.0000 | |
| 90 | A | A | -0.4903 | |
| 91 | V | A | 0.0000 | |
| 92 | S | A | 0.0000 | |
| 93 | K | A | -0.6268 | |
| 94 | C | A | -0.0994 | |
| 95 | L | A | 0.0000 | |
| 96 | H | A | -1.0983 | |
| 97 | L | A | -0.0501 | |
| 98 | E | A | -1.9640 | |
| 99 | G | A | -1.7795 | |
| 100 | E | A | 0.0000 | |
| 101 | V | A | 0.0000 | |
| 102 | N | A | -2.6860 | |
| 103 | K | A | -2.7968 | |
| 104 | I | A | 0.0000 | |
| 105 | K | A | -2.1232 | |
| 106 | S | A | -1.2367 | |
| 107 | A | A | -0.0619 | |
| 108 | L | A | 0.6396 | |
| 109 | L | A | 0.7236 | |
| 110 | S | A | -0.1870 | |
| 111 | T | A | -0.3948 | |
| 112 | N | A | -0.9169 | |
| 113 | K | A | -0.4856 | |
| 114 | A | A | 0.7608 | |
| 115 | V | A | 1.5705 | |
| 116 | V | A | 0.5681 | |
| 117 | S | A | 0.2509 | |
| 118 | L | A | 0.1214 | |
| 119 | S | A | -0.1341 | |
| 120 | C | A | 0.1329 | |
| 121 | G | A | -0.7784 | |
| 122 | V | A | -0.3074 | |
| 123 | S | A | 0.2924 | |
| 124 | V | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | V | A | 0.0000 | mutated: TV126A |
| 127 | I | A | 0.0000 | mutated: SI127A |
| 128 | I | A | 0.0000 | mutated: KI128A |
| 129 | V | A | 0.0000 | |
| 130 | L | A | -0.2010 | |
| 131 | D | A | 0.0000 | |
| 132 | L | A | 0.0000 | |
| 133 | K | A | -3.1311 | |
| 134 | N | A | -2.9242 | |
| 135 | Y | A | -1.6698 | |
| 136 | I | A | 0.0000 | |
| 137 | D | A | -3.2426 | |
| 138 | K | A | -2.8872 | |
| 139 | Q | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | -1.2089 | |
| 142 | P | A | -1.1573 | |
| 143 | I | A | -0.5662 | |
| 144 | V | A | 0.0000 | |
| 145 | N | A | -3.1135 | |
| 146 | K | A | -2.9151 | |
| 147 | Q | A | -2.7571 | |
| 148 | S | A | -2.3930 | |
| 149 | C | A | 0.0000 | |
| 150 | S | A | -1.1216 | |
| 151 | I | A | 0.0000 | |
| 152 | P | A | -0.4175 | |
| 153 | N | A | -0.7340 | |
| 154 | I | A | -0.2878 | |
| 155 | E | A | 0.0000 | |
| 156 | T | A | -0.5516 | |
| 157 | V | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | E | A | 0.0000 | |
| 160 | F | A | 0.0000 | |
| 161 | Q | A | -0.6113 | |
| 162 | Q | A | -0.5487 | |
| 163 | K | A | -0.2863 | |
| 164 | L | A | 0.0000 | mutated: NL164A |
| 165 | N | A | -0.5812 | |
| 166 | R | A | 0.0000 | |
| 167 | F | A | 0.0000 | mutated: LF167A |
| 168 | L | A | -0.5041 | |
| 169 | E | A | -0.7225 | |
| 170 | I | A | 0.0000 | |
| 171 | T | A | 0.0000 | |
| 172 | R | A | -0.7832 | |
| 173 | E | A | -0.8163 | |
| 174 | F | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | V | A | -0.1676 | |
| 177 | N | A | -0.2809 | |
| 178 | A | A | 0.0000 | |
| 179 | G | A | 0.0000 | |
| 180 | V | A | 0.3844 | |
| 181 | T | A | 0.0000 | |
| 182 | T | A | 0.0362 | |
| 183 | P | A | -0.0433 | |
| 184 | V | A | 0.0000 | |
| 185 | S | A | -0.1326 | |
| 186 | T | A | -0.0324 | |
| 187 | Y | A | 0.1111 | |
| 188 | M | A | 0.0000 | |
| 189 | L | A | 0.0000 | |
| 190 | T | A | -0.1698 | |
| 191 | N | A | -0.2485 | |
| 192 | S | A | -0.4309 | |
| 193 | E | A | 0.0000 | |
| 194 | L | A | 0.0000 | |
| 195 | L | A | -0.6348 | |
| 196 | S | A | -0.9725 | |
| 197 | L | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | N | A | -2.4302 | |
| 200 | D | A | -1.5068 | |
| 201 | M | A | 0.0000 | |
| 202 | P | A | -0.8213 | |
| 203 | I | A | -0.7085 | |
| 204 | T | A | -1.6750 | |
| 205 | N | A | -2.9877 | |
| 206 | D | A | -3.0037 | |
| 207 | Q | A | 0.0000 | |
| 208 | K | A | -2.5857 | |
| 209 | K | A | -2.6077 | |
| 210 | L | A | -1.2422 | |
| 211 | M | A | 0.0000 | |
| 212 | S | A | -1.0486 | |
| 213 | N | A | -0.8680 | |
| 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 | -0.4001 | |
| 221 | Q | A | -0.2110 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | 0.4596 | |
| 224 | S | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | M | A | 0.0000 | |
| 227 | S | A | 0.0000 | |
| 228 | I | A | -0.9379 | |
| 229 | I | A | -1.4868 | |
| 230 | K | A | -2.9862 | |
| 231 | E | A | -3.3558 | |
| 232 | E | A | -3.3092 | |
| 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 | 0.0984 | |
| 245 | V | A | 0.2560 | |
| 246 | I | A | -0.0269 | |
| 247 | D | A | -1.2711 | |
| 248 | T | A | 0.0000 | |
| 249 | P | A | -0.6477 | |
| 250 | C | A | 0.0000 | |
| 251 | W | A | 0.0000 | |
| 252 | K | A | -0.5974 | |
| 253 | L | A | 0.0000 | |
| 254 | H | A | -0.4153 | |
| 255 | T | A | -0.1984 | |
| 256 | S | A | 0.0000 | |
| 257 | P | A | 0.2367 | |
| 258 | L | A | 0.0000 | |
| 259 | C | A | 0.6469 | |
| 260 | T | A | 0.0000 | |
| 261 | T | A | -0.3938 | |
| 262 | N | A | -1.0228 | |
| 263 | T | A | -0.9428 | |
| 264 | K | A | -1.3667 | |
| 265 | E | A | -1.6233 | |
| 266 | G | A | -0.9519 | |
| 267 | S | A | 0.0000 | |
| 268 | N | A | 0.0000 | |
| 269 | I | A | 0.0000 | |
| 270 | C | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | T | A | 0.1435 | |
| 273 | R | A | 0.0000 | |
| 274 | T | A | -0.2811 | |
| 275 | D | A | 0.0000 | |
| 276 | R | A | -0.5069 | |
| 277 | G | A | -0.6059 | |
| 278 | W | A | 0.0000 | |
| 279 | Y | A | 0.0000 | |
| 280 | C | A | 0.0000 | |
| 281 | D | A | -0.9015 | |
| 282 | N | A | -0.7830 | |
| 283 | A | A | -0.6042 | |
| 284 | G | A | -0.6536 | |
| 285 | S | A | -0.6002 | |
| 286 | V | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | F | A | 0.0000 | |
| 289 | F | A | 0.0000 | |
| 290 | P | A | -0.9556 | |
| 291 | Q | A | -1.7692 | |
| 292 | A | A | -1.6346 | |
| 293 | E | A | -2.2845 | |
| 294 | T | A | -1.2671 | |
| 295 | C | A | -1.0206 | |
| 296 | K | A | -0.9664 | |
| 297 | V | A | -0.3158 | |
| 298 | Q | A | 0.0000 | |
| 299 | S | A | -0.7406 | |
| 300 | N | A | -0.4866 | |
| 301 | R | A | -0.2591 | |
| 302 | V | A | 0.0000 | |
| 303 | F | A | 0.0000 | |
| 304 | C | A | 0.0000 | |
| 305 | D | A | -0.4312 | |
| 306 | T | A | 0.0000 | |
| 307 | M | A | 0.1924 | |
| 308 | N | A | -0.5947 | |
| 309 | S | A | 0.0000 | |
| 310 | L | A | 0.2103 | |
| 311 | T | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | P | A | -0.4002 | |
| 314 | P | A | -0.4495 | |
| 315 | E | A | -0.5350 | |
| 316 | V | A | 0.0000 | |
| 317 | N | A | -0.1509 | |
| 318 | L | A | 0.6519 | |
| 319 | C | A | 0.0000 | |
| 320 | N | A | 0.3753 | |
| 321 | V | A | 1.0186 | |
| 322 | D | A | 0.6515 | |
| 323 | I | A | 0.9909 | |
| 324 | F | A | 1.7125 | |
| 325 | N | A | 0.6527 | |
| 326 | P | A | -0.2343 | |
| 327 | K | A | -1.0575 | |
| 328 | Y | A | 0.0000 | |
| 329 | D | A | 0.0000 | |
| 330 | C | A | 0.0000 | |
| 331 | K | A | -0.4649 | |
| 332 | I | A | 0.0000 | |
| 333 | M | A | 0.4356 | |
| 334 | T | A | 0.0000 | |
| 335 | S | A | 0.0000 | |
| 336 | K | A | 0.0000 | |
| 337 | T | A | -0.9527 | |
| 338 | D | A | -1.1925 | |
| 339 | V | A | -0.4913 | |
| 340 | S | A | -0.4785 | |
| 341 | S | A | -0.2724 | |
| 342 | S | A | 0.0000 | |
| 343 | V | A | 0.1672 | |
| 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 | -0.8000 | |
| 355 | G | A | -1.4103 | |
| 356 | K | A | -2.0880 | |
| 357 | T | A | 0.0000 | |
| 358 | K | A | -1.3053 | |
| 359 | C | A | 0.0000 | |
| 360 | T | A | 0.1578 | |
| 361 | A | A | 0.0000 | |
| 362 | S | A | -0.3679 | |
| 363 | N | A | 0.0000 | |
| 364 | K | A | -3.3614 | |
| 365 | N | A | -3.4587 | |
| 366 | R | A | -3.2773 | |
| 367 | G | A | -1.6365 | |
| 368 | I | A | 0.1180 | |
| 369 | I | A | 1.5785 | |
| 370 | K | A | 0.8115 | |
| 371 | T | A | 0.2738 | |
| 372 | F | A | 0.0315 | |
| 373 | S | A | -0.8750 | |
| 374 | N | A | -0.9746 | |
| 375 | G | A | -0.1352 | |
| 376 | C | A | 0.0000 | |
| 377 | D | A | 0.0000 | |
| 378 | Y | A | 0.0000 | |
| 379 | V | A | 0.1555 | |
| 380 | S | A | 0.0000 | |
| 381 | N | A | -0.7676 | |
| 382 | K | A | -2.2281 | |
| 383 | G | A | -1.8378 | |
| 384 | V | A | 0.0000 | |
| 385 | D | A | -1.9626 | |
| 386 | T | A | -0.5554 | |
| 387 | V | A | 0.0000 | |
| 388 | S | A | -0.2600 | |
| 389 | V | A | 0.0000 | |
| 390 | G | A | -0.8969 | |
| 391 | N | A | -0.6490 | |
| 392 | T | A | 0.0000 | |
| 393 | L | A | 0.2118 | |
| 394 | Y | A | 0.2494 | |
| 395 | Y | A | 0.0589 | |
| 396 | V | A | 0.0000 | |
| 397 | N | A | 0.0000 | |
| 398 | K | A | -1.5488 | |
| 399 | Q | A | -0.7654 | |
| 400 | E | A | 0.0000 | |
| 401 | G | A | -0.6155 | |
| 402 | K | A | -1.1827 | |
| 403 | S | A | -0.0444 | |
| 404 | L | A | 1.1281 | |
| 405 | Y | A | 0.9826 | |
| 406 | V | A | 0.2339 | |
| 407 | K | A | -1.6511 | |
| 408 | G | A | -1.5172 | |
| 409 | E | A | -1.9484 | |
| 410 | P | A | 0.0000 | |
| 411 | I | A | 1.5660 | |
| 412 | I | A | 0.9171 | |
| 413 | N | A | -0.0812 | |
| 414 | F | A | -0.2688 | |
| 415 | Y | A | -0.5767 | |
| 416 | D | A | -1.6526 | |
| 417 | P | A | -0.8407 | |
| 418 | L | A | 0.0000 | |
| 419 | V | A | 0.2575 | |
| 420 | F | A | 0.3214 | |
| 421 | P | A | -0.0699 | |
| 422 | S | A | 0.0000 | |
| 423 | D | A | 0.0000 | |
| 424 | E | A | 0.0000 | |
| 425 | F | A | 0.8269 | |
| 426 | D | A | 0.2609 | |
| 427 | A | A | 0.0000 | |
| 428 | S | A | 0.0000 | |
| 429 | I | A | 0.0000 | |
| 430 | S | A | -0.8284 | |
| 431 | Q | A | 0.0000 | |
| 432 | V | A | 0.0000 | |
| 433 | N | A | -1.6649 | |
| 434 | E | A | -1.6774 | |
| 435 | K | A | 0.0000 | |
| 436 | I | A | -0.6574 | |
| 437 | N | A | -1.4601 | |
| 438 | Q | A | -0.8958 | |
| 439 | S | A | 0.0000 | |
| 440 | L | A | -0.2685 | |
| 441 | A | A | -1.0758 | |
| 442 | W | A | 0.0000 | |
| 443 | I | A | -1.2280 | |
| 444 | R | A | -2.8143 | |
| 445 | K | A | -2.2297 | |
| 446 | F | A | 0.0000 | |
| 447 | D | A | -2.9321 | |
| 448 | E | A | -2.9581 | |
| 449 | L | A | -1.1815 | |
| 450 | L | A | -0.1776 | |
| 451 | H | A | -1.5575 | |
| 1 | Q | B | -1.4571 | |
| 2 | N | B | -2.1073 | |
| 3 | I | B | -1.4071 | |
| 4 | T | B | -1.1670 | |
| 5 | E | B | 0.0000 | |
| 6 | E | B | 0.1655 | |
| 7 | F | B | 0.0000 | |
| 8 | Y | B | 0.0376 | |
| 9 | Q | B | -0.6866 | |
| 10 | S | B | -1.0822 | |
| 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 | -1.3683 | |
| 18 | G | B | -0.6921 | |
| 19 | Y | B | 0.0000 | |
| 20 | L | B | 0.1701 | |
| 21 | S | B | 0.0000 | |
| 22 | A | B | 0.0000 | |
| 23 | L | B | 0.0000 | |
| 24 | R | B | 0.0000 | |
| 25 | T | B | 0.0000 | |
| 26 | G | B | 0.1272 | |
| 27 | W | B | 0.2449 | |
| 28 | Y | B | 0.0000 | |
| 29 | T | B | 0.1532 | |
| 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 | 0.0000 | |
| 36 | L | B | 0.0000 | |
| 37 | S | B | 0.0000 | |
| 38 | N | B | -2.3427 | |
| 39 | I | B | 0.0000 | |
| 40 | K | B | -3.4453 | |
| 41 | E | B | -3.4858 | |
| 42 | P | B | -3.2565 | |
| 43 | K | B | -3.9692 | |
| 44 | C | B | 0.0000 | |
| 45 | N | B | -3.1544 | |
| 46 | G | B | -2.2515 | |
| 47 | T | B | -1.7437 | |
| 48 | D | B | -2.1767 | |
| 49 | A | B | -1.4578 | |
| 50 | K | B | -1.2154 | |
| 51 | V | B | 0.0000 | |
| 52 | K | B | -2.4334 | |
| 53 | L | B | 0.0000 | |
| 54 | I | B | 0.0000 | |
| 55 | K | B | -2.3267 | |
| 56 | Q | B | -1.4049 | |
| 57 | E | B | 0.0000 | |
| 58 | L | B | 0.0000 | |
| 59 | D | B | -2.1763 | |
| 60 | K | B | 0.0000 | |
| 61 | F | B | 0.0000 | mutated: YF61B |
| 62 | K | B | -1.9728 | |
| 63 | N | B | -1.3683 | |
| 64 | A | B | 0.0000 | |
| 65 | V | B | 0.0000 | |
| 66 | T | B | -0.7556 | |
| 67 | E | B | 0.0000 | |
| 68 | L | B | 0.0000 | |
| 69 | Q | B | -0.7304 | |
| 70 | L | B | -0.1257 | |
| 71 | L | B | 0.0000 | |
| 72 | M | B | -0.5852 | |
| 73 | Q | B | -1.1581 | |
| 74 | S | B | 0.0000 | |
| 75 | T | B | -0.3316 | |
| 76 | P | B | -0.1922 | |
| 77 | A | B | -0.2606 | |
| 78 | A | B | -0.1816 | |
| 79 | G | B | -0.2523 | |
| 80 | G | B | -0.2997 | |
| 81 | G | B | -0.4171 | |
| 82 | G | B | -0.1063 | |
| 83 | S | B | 0.1013 | |
| 84 | A | B | 0.2693 | |
| 85 | I | B | 0.3753 | |
| 86 | A | B | 0.0000 | |
| 87 | S | B | 0.0410 | |
| 88 | G | B | 0.0000 | |
| 89 | I | B | 0.0000 | |
| 90 | A | B | -0.7212 | |
| 91 | V | B | 0.0000 | |
| 92 | S | B | 0.0000 | |
| 93 | K | B | -1.8863 | |
| 94 | C | B | 0.0000 | |
| 95 | L | B | 0.0000 | |
| 96 | H | B | -1.4159 | |
| 97 | L | B | -0.4217 | |
| 98 | E | B | -1.8881 | |
| 99 | G | B | -1.6290 | |
| 100 | E | B | 0.0000 | |
| 101 | V | B | -1.6649 | |
| 102 | N | B | -2.1445 | |
| 103 | K | B | -1.8874 | |
| 104 | I | B | 0.0000 | |
| 105 | K | B | -1.4092 | |
| 106 | S | B | -0.8048 | |
| 107 | A | B | 0.0192 | |
| 108 | L | B | 0.2301 | |
| 109 | L | B | 1.2592 | |
| 110 | S | B | 0.4328 | |
| 111 | T | B | 0.1833 | |
| 112 | N | B | 0.3260 | |
| 113 | K | B | -0.1259 | |
| 114 | A | B | 0.0000 | |
| 115 | V | B | 1.6222 | |
| 116 | V | B | 0.0000 | |
| 117 | S | B | 0.2554 | |
| 118 | L | B | 0.0000 | |
| 119 | S | B | 0.1992 | |
| 120 | C | B | 0.3478 | |
| 121 | G | B | -0.7810 | |
| 122 | V | B | 0.0219 | |
| 123 | S | B | 0.4004 | |
| 124 | V | B | 0.0000 | |
| 125 | L | B | 0.5137 | |
| 126 | V | B | 0.0000 | mutated: TV126B |
| 127 | I | B | 0.0000 | mutated: SI127B |
| 128 | I | B | 0.0000 | mutated: KI128B |
| 129 | V | B | 0.2801 | |
| 130 | L | B | -0.0611 | |
| 131 | D | B | -0.6041 | |
| 132 | L | B | 0.0000 | |
| 133 | K | B | -2.4412 | |
| 134 | N | B | -2.0246 | |
| 135 | Y | B | -1.1564 | |
| 136 | I | B | 0.0000 | |
| 137 | D | B | -2.6809 | |
| 138 | K | B | -2.5055 | |
| 139 | Q | B | -1.5874 | |
| 140 | L | B | 0.0000 | |
| 141 | L | B | -1.9102 | |
| 142 | P | B | -2.0366 | |
| 143 | I | B | -1.3476 | |
| 144 | V | B | 0.0000 | |
| 145 | N | B | -3.5453 | |
| 146 | K | B | -3.3022 | |
| 147 | Q | B | -3.1064 | |
| 148 | S | B | -1.4941 | |
| 149 | C | B | 0.0000 | |
| 150 | S | B | -0.1541 | |
| 151 | I | B | 1.5180 | |
| 152 | P | B | 0.0000 | |
| 153 | N | B | 0.0915 | |
| 154 | I | B | 0.0000 | |
| 155 | E | B | -0.6696 | |
| 156 | T | B | 0.0000 | |
| 157 | V | B | 0.0000 | |
| 158 | I | B | 0.0000 | |
| 159 | E | B | -0.7730 | |
| 160 | F | B | 0.0000 | |
| 161 | Q | B | -0.8591 | |
| 162 | Q | B | -1.0464 | |
| 163 | K | B | -0.8099 | |
| 164 | L | B | 0.0000 | mutated: NL164B |
| 165 | N | B | -1.3739 | |
| 166 | R | B | -1.2509 | |
| 167 | F | B | 0.0000 | mutated: LF167B |
| 168 | L | B | -0.8593 | |
| 169 | E | B | -1.3767 | |
| 170 | I | B | 0.0000 | |
| 171 | T | B | 0.0000 | |
| 172 | R | B | -0.7923 | |
| 173 | E | B | -0.7128 | |
| 174 | F | B | 0.0000 | |
| 175 | S | B | 0.0000 | |
| 176 | V | B | -0.1431 | |
| 177 | N | B | -0.4255 | |
| 178 | A | B | -0.2163 | |
| 179 | G | B | 0.0000 | |
| 180 | V | B | 0.3145 | |
| 181 | T | B | 0.0000 | |
| 182 | T | B | -0.0585 | |
| 183 | P | B | -0.1356 | |
| 184 | V | B | 0.0000 | |
| 185 | S | B | 0.0000 | |
| 186 | T | B | -0.2574 | |
| 187 | Y | B | 0.0000 | |
| 188 | M | B | 0.0000 | |
| 189 | L | B | 0.0000 | |
| 190 | T | B | -0.0954 | |
| 191 | N | B | 0.0000 | |
| 192 | S | B | -0.0479 | |
| 193 | E | B | -0.1347 | |
| 194 | L | B | 0.0000 | |
| 195 | L | B | 0.2313 | |
| 196 | S | B | -0.5027 | |
| 197 | L | B | 0.0000 | |
| 198 | I | B | 0.0000 | |
| 199 | N | B | -2.2907 | |
| 200 | D | B | -2.3072 | |
| 201 | M | B | -1.4214 | |
| 202 | P | B | -0.8501 | |
| 203 | I | B | -1.2514 | |
| 204 | T | B | -1.5327 | |
| 205 | N | B | -2.8782 | |
| 206 | D | B | -2.9395 | |
| 207 | Q | B | 0.0000 | |
| 208 | K | B | -2.6120 | |
| 209 | K | B | -3.1587 | |
| 210 | L | B | -1.6529 | |
| 211 | M | B | 0.0000 | |
| 212 | S | B | -1.3000 | |
| 213 | N | B | -1.6174 | |
| 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 | -0.4196 | |
| 221 | Q | B | -0.3969 | |
| 222 | S | B | 0.0000 | |
| 223 | Y | B | 0.1832 | |
| 224 | S | B | 0.0000 | |
| 225 | I | B | 0.0000 | |
| 226 | M | B | 0.0000 | |
| 227 | S | B | -0.6232 | |
| 228 | I | B | 0.0000 | |
| 229 | I | B | 0.0000 | |
| 230 | K | B | -1.4689 | |
| 231 | E | B | -1.4314 | |
| 232 | E | B | -1.5890 | |
| 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 | 0.3063 | |
| 243 | Y | B | 0.0000 | |
| 244 | G | B | 0.2232 | |
| 245 | V | B | 0.5178 | |
| 246 | I | B | 0.7330 | |
| 247 | D | B | -0.3474 | |
| 248 | T | B | -0.1881 | |
| 249 | P | B | -0.4190 | |
| 250 | C | B | 0.0000 | |
| 251 | W | B | -0.2224 | |
| 252 | K | B | 0.0000 | |
| 253 | L | B | 0.0000 | |
| 254 | H | B | 0.0000 | |
| 255 | T | B | 0.0000 | |
| 256 | S | B | 0.0000 | |
| 257 | P | B | -0.1654 | |
| 258 | L | B | 0.0000 | |
| 259 | C | B | 0.0000 | |
| 260 | T | B | -0.0936 | |
| 261 | T | B | 0.0000 | |
| 262 | N | B | 0.0000 | |
| 263 | T | B | 0.0000 | |
| 264 | K | B | -2.1317 | |
| 265 | E | B | 0.0000 | |
| 266 | G | B | -1.1902 | |
| 267 | S | B | -0.7202 | |
| 268 | N | B | 0.0000 | |
| 269 | I | B | 0.0000 | |
| 270 | C | B | 0.0000 | |
| 271 | L | B | 0.0000 | |
| 272 | T | B | -0.2660 | |
| 273 | R | B | 0.0000 | |
| 274 | T | B | -1.2921 | |
| 275 | D | B | -2.2165 | |
| 276 | R | B | -1.7422 | |
| 277 | G | B | 0.0000 | |
| 278 | W | B | 0.0000 | |
| 279 | Y | B | -0.3643 | |
| 280 | C | B | 0.0000 | |
| 281 | D | B | -1.0975 | |
| 282 | N | B | -0.5941 | |
| 283 | A | B | -0.5003 | |
| 284 | G | B | -0.7832 | |
| 285 | S | B | -0.8813 | |
| 286 | V | B | 0.0000 | |
| 287 | S | B | 0.0000 | |
| 288 | F | B | 0.0000 | |
| 289 | F | B | 0.0000 | |
| 290 | P | B | -1.3967 | |
| 291 | Q | B | -2.2933 | |
| 292 | A | B | 0.0000 | |
| 293 | E | B | -2.3050 | |
| 294 | T | B | -1.5725 | |
| 295 | C | B | 0.0000 | |
| 296 | K | B | -0.9159 | |
| 297 | V | B | -0.3874 | |
| 298 | Q | B | 0.0000 | |
| 299 | S | B | -0.5494 | |
| 300 | N | B | -0.4872 | |
| 301 | R | B | 0.0000 | |
| 302 | V | B | 0.0000 | |
| 303 | F | B | 0.0000 | |
| 304 | C | B | 0.0000 | |
| 305 | D | B | -0.6672 | |
| 306 | T | B | 0.0000 | |
| 307 | M | B | -0.4423 | |
| 308 | N | B | -1.3814 | |
| 309 | S | B | 0.0000 | |
| 310 | L | B | -0.1028 | |
| 311 | T | B | 0.0000 | |
| 312 | L | B | 0.0000 | |
| 313 | P | B | -0.5539 | |
| 314 | P | B | -0.6909 | |
| 315 | E | B | 0.0000 | |
| 316 | V | B | 0.0000 | |
| 317 | N | B | -0.9511 | |
| 318 | L | B | 0.1770 | |
| 319 | C | B | 0.0000 | |
| 320 | N | B | -0.4548 | |
| 321 | V | B | 0.0000 | |
| 322 | D | B | -0.6635 | |
| 323 | I | B | 0.0000 | |
| 324 | F | B | -0.3181 | |
| 325 | N | B | -1.3362 | |
| 326 | P | B | 0.0000 | |
| 327 | K | B | -1.4938 | |
| 328 | Y | B | 0.0000 | |
| 329 | D | B | 0.0000 | |
| 330 | C | B | -0.5415 | |
| 331 | K | B | -0.7714 | |
| 332 | I | B | 0.0000 | |
| 333 | M | B | 0.2952 | |
| 334 | T | B | 0.0000 | |
| 335 | S | B | 0.0000 | |
| 336 | K | B | 0.0000 | |
| 337 | T | B | -0.1615 | |
| 338 | D | B | 0.0000 | |
| 339 | V | B | 0.5544 | |
| 340 | S | B | 0.0000 | |
| 341 | S | B | 0.0000 | |
| 342 | S | B | 0.0000 | |
| 343 | V | B | 0.1384 | |
| 344 | I | B | 0.0000 | |
| 345 | T | B | 0.0000 | |
| 346 | S | B | -0.8062 | |
| 347 | L | B | -1.0975 | |
| 348 | G | B | 0.0000 | |
| 349 | A | B | 0.0000 | |
| 350 | I | B | 0.0000 | |
| 351 | V | B | 0.0000 | |
| 352 | S | B | 0.0000 | |
| 353 | C | B | 0.0000 | |
| 354 | Y | B | -0.5319 | |
| 355 | G | B | -1.0587 | |
| 356 | K | B | -0.9302 | |
| 357 | T | B | -1.0141 | |
| 358 | K | B | -1.8673 | |
| 359 | C | B | 0.0000 | |
| 360 | T | B | -0.0101 | |
| 361 | A | B | 0.0000 | |
| 362 | S | B | -0.0346 | |
| 363 | N | B | -1.0538 | |
| 364 | K | B | -1.7812 | |
| 365 | N | B | -1.9577 | |
| 366 | R | B | -2.0356 | |
| 367 | G | B | -0.6424 | |
| 368 | I | B | 1.4720 | |
| 369 | I | B | 1.9397 | |
| 370 | K | B | 0.2079 | |
| 371 | T | B | -0.3805 | |
| 372 | F | B | 0.0000 | |
| 373 | S | B | -1.2893 | |
| 374 | N | B | -1.7381 | |
| 375 | G | B | -1.1092 | |
| 376 | C | B | 0.0000 | |
| 377 | D | B | 0.0000 | |
| 378 | Y | B | 0.0000 | |
| 379 | V | B | 0.0000 | |
| 380 | S | B | -1.0695 | |
| 381 | N | B | -1.5445 | |
| 382 | K | B | -2.0236 | |
| 383 | G | B | -1.0722 | |
| 384 | V | B | 0.0000 | |
| 385 | D | B | -1.3102 | |
| 386 | T | B | -0.5083 | |
| 387 | V | B | 0.0000 | |
| 388 | S | B | -0.2612 | |
| 389 | V | B | 0.0000 | |
| 390 | G | B | -0.8160 | |
| 391 | N | B | -0.2462 | |
| 392 | T | B | 0.0000 | |
| 393 | L | B | 0.1281 | |
| 394 | Y | B | 0.2573 | |
| 395 | Y | B | 0.0000 | |
| 396 | V | B | 0.0000 | |
| 397 | N | B | 0.0000 | |
| 398 | K | B | -2.0508 | |
| 399 | Q | B | 0.0000 | |
| 400 | E | B | -2.8307 | |
| 401 | G | B | -2.2262 | |
| 402 | K | B | -1.9891 | |
| 403 | S | B | -0.3315 | |
| 404 | L | B | 0.9367 | |
| 405 | Y | B | 1.2403 | |
| 406 | V | B | 0.5296 | |
| 407 | K | B | -1.2749 | |
| 408 | G | B | -1.3966 | |
| 409 | E | B | -1.6789 | |
| 410 | P | B | -1.0057 | |
| 411 | I | B | -0.1972 | |
| 412 | I | B | 0.0000 | |
| 413 | N | B | -0.8405 | |
| 414 | F | B | 0.6081 | |
| 415 | Y | B | 0.5853 | |
| 416 | D | B | -0.7491 | |
| 417 | P | B | -0.3026 | |
| 418 | L | B | 0.0000 | |
| 419 | V | B | 0.9099 | |
| 420 | F | B | 0.7744 | |
| 421 | P | B | 0.0000 | |
| 422 | S | B | 0.0000 | |
| 423 | D | B | 0.0000 | |
| 424 | E | B | 0.0000 | |
| 425 | F | B | 0.5910 | |
| 426 | D | B | 0.0000 | |
| 427 | A | B | 0.0000 | |
| 428 | S | B | 0.0000 | |
| 429 | I | B | -0.8169 | |
| 430 | S | B | -1.5028 | |
| 431 | Q | B | -1.1492 | |
| 432 | V | B | 0.0000 | |
| 433 | N | B | -1.5783 | |
| 434 | E | B | -1.6382 | |
| 435 | K | B | 0.0000 | |
| 436 | I | B | 0.0833 | |
| 437 | N | B | -0.9757 | |
| 438 | Q | B | -0.9626 | |
| 439 | S | B | 0.0000 | |
| 440 | L | B | 0.4781 | |
| 441 | A | B | -0.5483 | |
| 442 | W | B | 0.0000 | |
| 443 | I | B | -0.9143 | |
| 444 | R | B | -2.5633 | |
| 445 | K | B | -1.9444 | |
| 446 | F | B | 0.0000 | |
| 447 | D | B | -3.2872 | |
| 448 | E | B | -3.0048 | |
| 449 | L | B | -1.1106 | |
| 450 | L | B | -1.5423 | |
| 451 | H | B | -1.4234 | |
| 1 | Q | C | -1.5732 | |
| 2 | N | C | -2.4964 | |
| 3 | I | C | 0.0000 | |
| 4 | T | C | -1.8664 | |
| 5 | E | C | 0.0000 | |
| 6 | E | C | -1.2258 | |
| 7 | F | C | 0.0000 | |
| 8 | Y | C | 0.0000 | |
| 9 | Q | C | -0.7433 | |
| 10 | S | C | -1.0511 | |
| 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 | -2.0080 | |
| 18 | G | C | -1.2568 | |
| 19 | Y | C | 0.0000 | |
| 20 | L | C | -0.7723 | |
| 21 | S | C | 0.0000 | |
| 22 | A | C | 0.0000 | |
| 23 | L | C | 0.0000 | |
| 24 | R | C | -0.0173 | |
| 25 | T | C | 0.0647 | |
| 26 | G | C | 0.1724 | |
| 27 | W | C | 0.3741 | |
| 28 | Y | C | 0.2713 | |
| 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 | -1.1868 | |
| 36 | L | C | 0.0000 | |
| 37 | S | C | 0.0000 | |
| 38 | N | C | -2.5613 | |
| 39 | I | C | 0.0000 | |
| 40 | K | C | -2.9609 | |
| 41 | E | C | 0.0000 | |
| 42 | P | C | -2.3990 | |
| 43 | K | C | -2.6360 | |
| 44 | C | C | -2.9491 | |
| 45 | N | C | -2.9398 | |
| 46 | G | C | -2.7322 | |
| 47 | T | C | -1.8480 | |
| 48 | D | C | -2.6710 | |
| 49 | A | C | -1.5610 | |
| 50 | K | C | -1.1939 | |
| 51 | V | C | 0.0000 | |
| 52 | K | C | -1.8108 | |
| 53 | L | C | 0.0000 | |
| 54 | I | C | 0.0000 | |
| 55 | K | C | -2.0361 | |
| 56 | Q | C | -1.1605 | |
| 57 | E | C | 0.0000 | |
| 58 | L | C | 0.0000 | |
| 59 | D | C | -2.6759 | |
| 60 | K | C | -1.5624 | |
| 61 | F | C | 0.0000 | mutated: YF61C |
| 62 | K | C | -2.1478 | |
| 63 | N | C | -1.2115 | |
| 64 | A | C | 0.0000 | |
| 65 | V | C | 0.0000 | |
| 66 | T | C | -0.4610 | |
| 67 | E | C | 0.0000 | |
| 68 | L | C | 0.0000 | |
| 69 | Q | C | -0.9188 | |
| 70 | L | C | -0.3986 | |
| 71 | L | C | 0.0000 | |
| 72 | M | C | -0.6190 | |
| 73 | Q | C | -1.2157 | |
| 74 | S | C | 0.0000 | |
| 75 | T | C | -0.3154 | |
| 76 | P | C | 0.0000 | |
| 77 | A | C | 0.0000 | |
| 78 | A | C | 0.0000 | |
| 79 | G | C | 0.0000 | |
| 80 | G | C | -0.5687 | |
| 81 | G | C | -0.5640 | |
| 82 | G | C | -0.1851 | |
| 83 | S | C | 0.0000 | |
| 84 | A | C | 0.3062 | |
| 85 | I | C | 0.5143 | |
| 86 | A | C | 0.0000 | |
| 87 | S | C | 0.0680 | |
| 88 | G | C | 0.0000 | |
| 89 | I | C | 0.0000 | |
| 90 | A | C | -0.7956 | |
| 91 | V | C | 0.0000 | |
| 92 | S | C | 0.0000 | |
| 93 | K | C | -1.6576 | |
| 94 | C | C | -0.7128 | |
| 95 | L | C | 0.0000 | |
| 96 | H | C | -1.2298 | |
| 97 | L | C | -0.5632 | |
| 98 | E | C | -2.2894 | |
| 99 | G | C | -1.8046 | |
| 100 | E | C | -2.0437 | |
| 101 | V | C | 0.0000 | |
| 102 | N | C | -3.0829 | |
| 103 | K | C | -2.8674 | |
| 104 | I | C | 0.0000 | |
| 105 | K | C | -1.7566 | |
| 106 | S | C | -1.3832 | |
| 107 | A | C | -0.6104 | |
| 108 | L | C | 0.0000 | |
| 109 | L | C | 0.2097 | |
| 110 | S | C | -0.2980 | |
| 111 | T | C | -0.5948 | |
| 112 | N | C | -1.0640 | |
| 113 | K | C | -0.5878 | |
| 114 | A | C | 0.4112 | |
| 115 | V | C | 1.6919 | |
| 116 | V | C | 0.6945 | |
| 117 | S | C | 0.3581 | |
| 118 | L | C | 0.2247 | |
| 119 | S | C | -0.3687 | |
| 120 | C | C | -0.8955 | |
| 121 | G | C | -0.9050 | |
| 122 | V | C | 0.0032 | |
| 123 | S | C | 0.3156 | |
| 124 | V | C | 0.0000 | |
| 125 | L | C | 0.0000 | |
| 126 | V | C | 0.0000 | mutated: TV126C |
| 127 | I | C | 0.0000 | mutated: SI127C |
| 128 | I | C | 0.0000 | mutated: KI128C |
| 129 | V | C | -0.1096 | |
| 130 | L | C | 0.0000 | |
| 131 | D | C | -0.6557 | |
| 132 | L | C | 0.0000 | |
| 133 | K | C | -2.0913 | |
| 134 | N | C | -1.7323 | |
| 135 | Y | C | -1.1307 | |
| 136 | I | C | 0.0000 | |
| 137 | D | C | -2.0076 | |
| 138 | K | C | -2.2795 | |
| 139 | Q | C | -1.0641 | |
| 140 | L | C | 0.0000 | |
| 141 | L | C | -1.1547 | |
| 142 | P | C | -1.2906 | |
| 143 | I | C | 0.0000 | |
| 144 | V | C | 0.0000 | |
| 145 | N | C | -3.0431 | |
| 146 | K | C | -2.7323 | |
| 147 | Q | C | -2.8648 | |
| 148 | S | C | -1.6009 | |
| 149 | C | C | 0.0000 | |
| 150 | S | C | -0.0121 | |
| 151 | I | C | 0.9707 | |
| 152 | P | C | 0.0000 | |
| 153 | N | C | -0.4526 | |
| 154 | I | C | 0.0000 | |
| 155 | E | C | 0.0000 | |
| 156 | T | C | -0.3215 | |
| 157 | V | C | 0.0000 | |
| 158 | I | C | 0.0000 | |
| 159 | E | C | -0.6957 | |
| 160 | F | C | 0.0000 | |
| 161 | Q | C | -0.7832 | |
| 162 | Q | C | -0.8523 | |
| 163 | K | C | -0.8077 | |
| 164 | L | C | 0.0000 | mutated: NL164C |
| 165 | N | C | -1.2869 | |
| 166 | R | C | -1.0447 | |
| 167 | F | C | 0.0000 | mutated: LF167C |
| 168 | L | C | -0.7572 | |
| 169 | E | C | -0.7541 | |
| 170 | I | C | 0.0000 | |
| 171 | T | C | 0.0000 | |
| 172 | R | C | -0.6194 | |
| 173 | E | C | -0.4228 | |
| 174 | F | C | 0.0000 | |
| 175 | S | C | 0.0000 | |
| 176 | V | C | 0.0828 | |
| 177 | N | C | -0.2538 | |
| 178 | A | C | 0.0000 | |
| 179 | G | C | 0.0000 | |
| 180 | V | C | 0.0000 | |
| 181 | T | C | 0.0000 | |
| 182 | T | C | 0.0522 | |
| 183 | P | C | -0.0454 | |
| 184 | V | C | 0.1692 | |
| 185 | S | C | 0.0000 | |
| 186 | T | C | 0.0000 | |
| 187 | Y | C | 0.3651 | |
| 188 | M | C | 0.0000 | |
| 189 | L | C | 0.0000 | |
| 190 | T | C | 0.0234 | |
| 191 | N | C | 0.0000 | |
| 192 | S | C | -0.1764 | |
| 193 | E | C | -0.2714 | |
| 194 | L | C | -0.1173 | |
| 195 | L | C | -0.5106 | |
| 196 | S | C | -0.7331 | |
| 197 | L | C | 0.0000 | |
| 198 | I | C | 0.0000 | |
| 199 | N | C | -2.5858 | |
| 200 | D | C | -1.8542 | |
| 201 | M | C | 0.0000 | |
| 202 | P | C | -0.7979 | |
| 203 | I | C | -1.0281 | |
| 204 | T | C | -1.7793 | |
| 205 | N | C | -3.1112 | |
| 206 | D | C | -3.4099 | |
| 207 | Q | C | -2.2940 | |
| 208 | K | C | 0.0000 | |
| 209 | K | C | -2.8470 | |
| 210 | L | C | -1.5824 | |
| 211 | M | C | 0.0000 | |
| 212 | S | C | -0.9312 | |
| 213 | N | C | -0.7170 | |
| 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 | -0.3517 | |
| 221 | Q | C | -0.3167 | |
| 222 | S | C | 0.0709 | |
| 223 | Y | C | 0.3331 | |
| 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 | -2.2995 | |
| 231 | E | C | -2.7976 | |
| 232 | E | C | -2.6106 | |
| 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 | 0.3139 | |
| 239 | Q | C | 0.0000 | |
| 240 | L | C | 0.0000 | |
| 241 | P | C | 0.0000 | |
| 242 | L | C | 0.2287 | |
| 243 | Y | C | 0.0000 | |
| 244 | G | C | 0.0858 | |
| 245 | V | C | -0.2380 | |
| 246 | I | C | 0.0000 | |
| 247 | D | C | -1.9120 | |
| 248 | T | C | -1.0616 | |
| 249 | P | C | -0.9702 | |
| 250 | C | C | 0.0000 | |
| 251 | W | C | -0.4581 | |
| 252 | K | C | 0.0000 | |
| 253 | L | C | 0.0000 | |
| 254 | H | C | 0.0000 | |
| 255 | T | C | 0.0000 | |
| 256 | S | C | 0.0000 | |
| 257 | P | C | -0.2916 | |
| 258 | L | C | 0.0000 | |
| 259 | C | C | -0.2659 | |
| 260 | T | C | 0.0000 | |
| 261 | T | C | -0.7345 | |
| 262 | N | C | -1.0763 | |
| 263 | T | C | -1.6342 | |
| 264 | K | C | -2.7278 | |
| 265 | E | C | -2.9716 | |
| 266 | G | C | 0.0000 | |
| 267 | S | C | 0.0000 | |
| 268 | N | C | 0.0000 | |
| 269 | I | C | -0.2222 | |
| 270 | C | C | 0.0000 | |
| 271 | L | C | 0.0000 | |
| 272 | T | C | -0.2815 | |
| 273 | R | C | 0.0000 | |
| 274 | T | C | -1.0786 | |
| 275 | D | C | -2.0660 | |
| 276 | R | C | -1.8863 | |
| 277 | G | C | 0.0000 | |
| 278 | W | C | 0.0000 | |
| 279 | Y | C | 0.0000 | |
| 280 | C | C | 0.0000 | |
| 281 | D | C | -0.8448 | |
| 282 | N | C | -0.8611 | |
| 283 | A | C | -0.5910 | |
| 284 | G | C | -0.7486 | |
| 285 | S | C | -1.0491 | |
| 286 | V | C | 0.0000 | |
| 287 | S | C | 0.0000 | |
| 288 | F | C | 0.0000 | |
| 289 | F | C | 0.0000 | |
| 290 | P | C | -1.6111 | |
| 291 | Q | C | -2.4649 | |
| 292 | A | C | -2.0993 | |
| 293 | E | C | -2.3531 | |
| 294 | T | C | 0.0000 | |
| 295 | C | C | -0.8693 | |
| 296 | K | C | -0.5626 | |
| 297 | V | C | -0.0602 | |
| 298 | Q | C | 0.0000 | |
| 299 | S | C | -0.5529 | |
| 300 | N | C | -0.5769 | |
| 301 | R | C | 0.0000 | |
| 302 | V | C | 0.0000 | |
| 303 | F | C | 0.0000 | |
| 304 | C | C | 0.0000 | |
| 305 | D | C | 0.0000 | |
| 306 | T | C | 0.0000 | |
| 307 | M | C | -0.3260 | |
| 308 | N | C | -1.3680 | |
| 309 | S | C | -0.5433 | |
| 310 | L | C | -0.2640 | |
| 311 | T | C | 0.0000 | |
| 312 | L | C | 0.0000 | |
| 313 | P | C | -0.9680 | |
| 314 | P | C | -1.0662 | |
| 315 | E | C | -1.1410 | |
| 316 | V | C | -0.8708 | |
| 317 | N | C | 0.0000 | |
| 318 | L | C | -0.3672 | |
| 319 | C | C | 0.0000 | |
| 320 | N | C | -1.6241 | |
| 321 | V | C | 0.0000 | |
| 322 | D | C | -1.5566 | |
| 323 | I | C | 0.0000 | |
| 324 | F | C | 0.5008 | |
| 325 | N | C | -0.9598 | |
| 326 | P | C | -1.1739 | |
| 327 | K | C | -1.6498 | |
| 328 | Y | C | 0.0000 | |
| 329 | D | C | 0.0000 | |
| 330 | C | C | 0.0000 | |
| 331 | K | C | -0.4451 | |
| 332 | I | C | 0.0000 | |
| 333 | M | C | 0.2640 | |
| 334 | T | C | 0.2539 | |
| 335 | S | C | -0.0425 | |
| 336 | K | C | 0.0000 | |
| 337 | T | C | -0.1599 | |
| 338 | D | C | -0.2133 | |
| 339 | V | C | 0.0000 | |
| 340 | S | C | 0.0000 | |
| 341 | S | C | -0.3817 | |
| 342 | S | C | 0.0000 | |
| 343 | V | C | 0.0949 | |
| 344 | I | C | 0.0000 | |
| 345 | T | C | 0.0000 | |
| 346 | S | C | 0.0000 | |
| 347 | L | C | -1.3888 | |
| 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 | 0.0000 | |
| 355 | G | C | -1.1842 | |
| 356 | K | C | -1.2846 | |
| 357 | T | C | -1.3034 | |
| 358 | K | C | -1.8547 | |
| 359 | C | C | 0.0000 | |
| 360 | T | C | -0.2568 | |
| 361 | A | C | 0.0000 | |
| 362 | S | C | -0.6802 | |
| 363 | N | C | -2.0425 | |
| 364 | K | C | -3.0098 | |
| 365 | N | C | -3.2552 | |
| 366 | R | C | -2.8019 | |
| 367 | G | C | -1.7249 | |
| 368 | I | C | 0.1609 | |
| 369 | I | C | 1.2627 | |
| 370 | K | C | -0.0649 | |
| 371 | T | C | -0.1294 | |
| 372 | F | C | 0.2502 | |
| 373 | S | C | -0.7223 | |
| 374 | N | C | -0.6622 | |
| 375 | G | C | -0.6228 | |
| 376 | C | C | 0.0000 | |
| 377 | D | C | -0.1597 | |
| 378 | Y | C | 0.0000 | |
| 379 | V | C | 0.5970 | |
| 380 | S | C | -0.1655 | |
| 381 | N | C | 0.0000 | |
| 382 | K | C | -2.3045 | |
| 383 | G | C | -1.0700 | |
| 384 | V | C | 0.0000 | |
| 385 | D | C | -1.5378 | |
| 386 | T | C | -0.5111 | |
| 387 | V | C | 0.0000 | |
| 388 | S | C | -0.3010 | |
| 389 | V | C | 0.0000 | |
| 390 | G | C | -0.8234 | |
| 391 | N | C | 0.0000 | |
| 392 | T | C | 0.0000 | |
| 393 | L | C | 0.3033 | |
| 394 | Y | C | 0.3914 | |
| 395 | Y | C | 0.2316 | |
| 396 | V | C | 0.0000 | |
| 397 | N | C | 0.0000 | |
| 398 | K | C | -2.0169 | |
| 399 | Q | C | -2.1644 | |
| 400 | E | C | -2.9840 | |
| 401 | G | C | -2.3462 | |
| 402 | K | C | -2.2915 | |
| 403 | S | C | -0.3012 | |
| 404 | L | C | 1.4317 | |
| 405 | Y | C | 1.6273 | |
| 406 | V | C | 0.1587 | |
| 407 | K | C | -1.8112 | |
| 408 | G | C | -1.8552 | |
| 409 | E | C | -1.7846 | |
| 410 | P | C | -0.8730 | |
| 411 | I | C | 0.0000 | |
| 412 | I | C | 0.0000 | |
| 413 | N | C | -1.3877 | |
| 414 | F | C | -0.3476 | |
| 415 | Y | C | 0.0000 | |
| 416 | D | C | -0.7029 | |
| 417 | P | C | -0.0073 | |
| 418 | L | C | 0.8399 | |
| 419 | V | C | 0.4409 | |
| 420 | F | C | 0.5265 | |
| 421 | P | C | 0.0000 | |
| 422 | S | C | 0.0000 | |
| 423 | D | C | 0.0833 | |
| 424 | E | C | 0.0000 | |
| 425 | F | C | 0.3043 | |
| 426 | D | C | -0.1542 | |
| 427 | A | C | 0.0000 | |
| 428 | S | C | 0.0000 | |
| 429 | I | C | 0.0000 | |
| 430 | S | C | -0.6000 | |
| 431 | Q | C | 0.0000 | |
| 432 | V | C | 0.0000 | |
| 433 | N | C | -0.8033 | |
| 434 | E | C | -1.1248 | |
| 435 | K | C | 0.0000 | |
| 436 | I | C | -0.3127 | |
| 437 | N | C | -1.2158 | |
| 438 | Q | C | -0.9463 | |
| 439 | S | C | 0.0000 | |
| 440 | L | C | 0.3679 | |
| 441 | A | C | -0.9889 | |
| 442 | W | C | 0.0000 | |
| 443 | I | C | -1.0734 | |
| 444 | R | C | -2.7583 | |
| 445 | K | C | -2.1374 | |
| 446 | F | C | 0.0000 | |
| 447 | D | C | -2.8742 | |
| 448 | E | C | -2.9112 | |
| 449 | L | C | -0.4060 | |
| 450 | L | C | -0.3090 | |
| 451 | H | C | -1.4103 |
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, -0.513 in this case) with the input model
(the most aggregation prone model in blue, input in red) and RMSF plot which shows the extent of residue fluctuations in Angstroms (predicted by CABS-flex).
Model |
Average A4D Score |
|||
| model_6 | -0.513 | View | CSV | PDB |
| model_8 | -0.5202 | View | CSV | PDB |
| model_2 | -0.5219 | View | CSV | PDB |
| model_5 | -0.5227 | View | CSV | PDB |
| model_7 | -0.5235 | View | CSV | PDB |
| model_4 | -0.5341 | View | CSV | PDB |
| CABS_average | -0.5372 | View | CSV | PDB |
| model_0 | -0.5378 | View | CSV | PDB |
| model_10 | -0.543 | View | CSV | PDB |
| model_9 | -0.5536 | View | CSV | PDB |
| model_1 | -0.5548 | View | CSV | PDB |
| model_3 | -0.5586 | View | CSV | PDB |
| model_11 | -0.5631 | View | CSV | PDB |
| input | -0.6428 | 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