Project name: RSV_487L490T495L [mutate: EL424A, AT427A, VL432A, EL424C, AT427C, VL432C, EL424B, AT427B, VL432B]
Status: done
Started: 2025-12-11 15:03:31
| 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 | EL424B,VL432A,EL424A,AT427A,VL432B,VL432C,AT427B,AT427C,EL424C |
| Energy difference between WT (input) and mutated protein (by FoldX) | -12.1098 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 (00:42:11)
[INFO] CABS: Running CABS flex simulation (00:54:27)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (10:44:02)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (10:44:31)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (10:45:02)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (10:45:33)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (10:46:03)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (10:46:34)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (10:47:04)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (10:47:34)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (10:48:05)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (10:48:35)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (10:49:06)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (10:49:35)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (10:50:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (10:51:09)
[INFO] Main: Simulation completed successfully. (10:51:38)
|
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
- -3.5244
- Maximal score value
- 2.2864
- Average score
- -0.5069
- Total score value
- -685.8416
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 | -1.9588 | |
| 2 | N | A | -2.5371 | |
| 3 | I | A | 0.0000 | |
| 4 | T | A | -1.4669 | |
| 5 | E | A | 0.0000 | |
| 6 | E | A | -0.1222 | |
| 7 | F | A | 0.0000 | |
| 8 | Y | A | -0.0142 | |
| 9 | Q | A | 0.0000 | |
| 10 | S | A | -0.6060 | |
| 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 | -0.9346 | |
| 18 | G | A | 0.0000 | |
| 19 | Y | A | -0.5512 | |
| 20 | L | A | 0.1056 | |
| 21 | S | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | R | A | 0.0000 | |
| 25 | T | A | 0.0845 | |
| 26 | G | A | 0.0227 | |
| 27 | W | A | 0.3649 | |
| 28 | Y | A | 0.6321 | |
| 29 | T | A | 0.3781 | |
| 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 | -1.1495 | |
| 36 | L | A | 0.0000 | |
| 37 | S | A | -1.5481 | |
| 38 | N | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | K | A | -2.3571 | |
| 41 | E | A | -2.9607 | |
| 42 | P | A | -2.4976 | |
| 43 | K | A | -2.9848 | |
| 44 | C | A | 0.0000 | |
| 45 | N | A | -2.7107 | |
| 46 | G | A | -2.4352 | |
| 47 | T | A | -1.6527 | |
| 48 | D | A | -2.6013 | |
| 49 | A | A | 0.0000 | |
| 50 | K | A | 0.0000 | |
| 51 | V | A | 0.0000 | |
| 52 | K | A | -1.8216 | |
| 53 | L | A | 0.0000 | |
| 54 | I | A | 0.0000 | |
| 55 | K | A | -1.9510 | |
| 56 | Q | A | -1.3446 | |
| 57 | E | A | 0.0000 | |
| 58 | L | A | 0.0000 | |
| 59 | D | A | -2.4469 | |
| 60 | K | A | 0.0000 | |
| 61 | Y | A | 0.0000 | |
| 62 | K | A | -1.4625 | |
| 63 | N | A | -1.1224 | |
| 64 | A | A | 0.0000 | |
| 65 | V | A | -0.4461 | |
| 66 | T | A | -0.1784 | |
| 67 | E | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | Q | A | -0.2897 | |
| 70 | L | A | 0.0164 | |
| 71 | L | A | 0.0000 | |
| 72 | M | A | 0.0000 | |
| 73 | Q | A | -0.9390 | |
| 74 | S | A | 0.0000 | |
| 75 | T | A | -0.4407 | |
| 76 | P | A | -0.4540 | |
| 77 | A | A | -0.8064 | |
| 78 | A | A | 0.0000 | |
| 79 | G | A | -0.4971 | |
| 80 | G | A | 0.0000 | |
| 81 | G | A | 0.0000 | |
| 82 | G | A | -0.3885 | |
| 83 | S | A | 0.0000 | |
| 84 | A | A | 0.2072 | |
| 85 | I | A | 0.3124 | |
| 86 | A | A | 0.0000 | |
| 87 | S | A | -0.0911 | |
| 88 | G | A | 0.0000 | |
| 89 | I | A | 0.0000 | |
| 90 | A | A | -0.7489 | |
| 91 | V | A | 0.0000 | |
| 92 | S | A | 0.0000 | |
| 93 | K | A | -1.8427 | |
| 94 | C | A | -0.9047 | |
| 95 | L | A | 0.0000 | |
| 96 | H | A | -1.2041 | |
| 97 | L | A | -0.8736 | |
| 98 | E | A | -2.1712 | |
| 99 | G | A | -2.0244 | |
| 100 | E | A | -1.8515 | |
| 101 | V | A | 0.0000 | |
| 102 | N | A | -2.6171 | |
| 103 | K | A | -2.5128 | |
| 104 | I | A | 0.0000 | |
| 105 | K | A | -1.2195 | |
| 106 | S | A | -0.4939 | |
| 107 | A | A | -0.3706 | |
| 108 | L | A | 0.0000 | |
| 109 | L | A | 0.6004 | |
| 110 | S | A | -0.0193 | |
| 111 | T | A | -0.6018 | |
| 112 | N | A | -1.7297 | |
| 113 | K | A | -1.4649 | |
| 114 | A | A | 0.1812 | |
| 115 | V | A | 1.6647 | |
| 116 | V | A | 0.6755 | |
| 117 | S | A | 0.3427 | |
| 118 | L | A | 0.1951 | |
| 119 | S | A | -0.2546 | |
| 120 | C | A | -0.5229 | |
| 121 | G | A | -0.9000 | |
| 122 | V | A | -0.0301 | |
| 123 | S | A | 0.3969 | |
| 124 | V | A | 0.0000 | |
| 125 | L | A | 0.7132 | |
| 126 | T | A | 0.0000 | |
| 127 | S | A | 0.0000 | |
| 128 | K | A | -0.8733 | |
| 129 | V | A | -0.2955 | |
| 130 | L | A | 0.0000 | |
| 131 | D | A | -0.7715 | |
| 132 | L | A | 0.0000 | |
| 133 | K | A | -2.2154 | |
| 134 | N | A | -2.2839 | |
| 135 | Y | A | -1.3256 | |
| 136 | I | A | 0.0000 | |
| 137 | D | A | -2.0365 | |
| 138 | K | A | -2.4015 | |
| 139 | Q | A | -1.2092 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | -0.8928 | |
| 142 | P | A | -1.2208 | |
| 143 | I | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | N | A | -2.3432 | |
| 146 | K | A | -2.9369 | |
| 147 | Q | A | -1.8659 | |
| 148 | S | A | -1.1147 | |
| 149 | C | A | 0.0000 | |
| 150 | S | A | 0.2455 | |
| 151 | I | A | 1.4559 | |
| 152 | P | A | 0.0000 | |
| 153 | N | A | -0.2684 | |
| 154 | I | A | 0.0000 | |
| 155 | E | A | -0.4627 | |
| 156 | T | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | E | A | -0.7875 | |
| 160 | F | A | 0.0000 | |
| 161 | Q | A | -0.5627 | |
| 162 | Q | A | -0.7961 | |
| 163 | K | A | 0.0000 | |
| 164 | N | A | 0.0000 | |
| 165 | N | A | -0.7105 | |
| 166 | R | A | -0.5954 | |
| 167 | L | A | 0.0000 | |
| 168 | L | A | -0.2625 | |
| 169 | E | A | -0.5918 | |
| 170 | I | A | 0.0000 | |
| 171 | T | A | 0.0000 | |
| 172 | R | A | -0.6365 | |
| 173 | E | A | -0.5163 | |
| 174 | F | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | V | A | -0.1448 | |
| 177 | N | A | -0.3213 | |
| 178 | A | A | 0.0000 | |
| 179 | G | A | 0.0000 | |
| 180 | V | A | 0.4281 | |
| 181 | T | A | 0.0000 | |
| 182 | T | A | -0.0730 | |
| 183 | P | A | -0.1525 | |
| 184 | V | A | 0.0000 | |
| 185 | S | A | 0.0000 | |
| 186 | T | A | 0.0000 | |
| 187 | Y | A | 0.0000 | |
| 188 | M | A | 0.0000 | |
| 189 | L | A | 0.0000 | |
| 190 | T | A | -0.2489 | |
| 191 | N | A | -0.3245 | |
| 192 | S | A | -0.3311 | |
| 193 | E | A | -0.6931 | |
| 194 | L | A | 0.0000 | |
| 195 | L | A | -0.3019 | |
| 196 | S | A | -0.6403 | |
| 197 | L | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | N | A | -1.6327 | |
| 200 | D | A | -1.8035 | |
| 201 | M | A | -0.9013 | |
| 202 | P | A | -1.1077 | |
| 203 | I | A | -1.1138 | |
| 204 | T | A | -1.2673 | |
| 205 | N | A | -2.4408 | |
| 206 | D | A | -2.4512 | |
| 207 | Q | A | 0.0000 | |
| 208 | K | A | -2.1469 | |
| 209 | K | A | -2.7469 | |
| 210 | L | A | -1.5678 | |
| 211 | M | A | 0.0000 | |
| 212 | S | A | -1.3117 | |
| 213 | N | A | -1.3483 | |
| 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 | -0.4707 | |
| 221 | Q | A | -0.5131 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | 0.1347 | |
| 224 | S | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | M | A | 0.0000 | |
| 227 | S | A | -0.4164 | |
| 228 | I | A | 0.0000 | |
| 229 | I | A | -0.3726 | |
| 230 | K | A | -1.6595 | |
| 231 | E | A | -2.3404 | |
| 232 | E | A | -2.2205 | |
| 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 | 0.3645 | |
| 243 | Y | A | 0.0000 | |
| 244 | G | A | -0.0969 | |
| 245 | V | A | -0.1255 | |
| 246 | I | A | -0.4552 | |
| 247 | D | A | -1.2606 | |
| 248 | T | A | 0.0000 | |
| 249 | P | A | -0.4605 | |
| 250 | C | A | 0.0000 | |
| 251 | W | A | -0.2314 | |
| 252 | K | A | 0.0000 | |
| 253 | L | A | 0.0000 | |
| 254 | H | A | 0.0000 | |
| 255 | T | A | 0.0000 | |
| 256 | S | A | -0.4724 | |
| 257 | P | A | -0.1427 | |
| 258 | L | A | 0.0000 | |
| 259 | C | A | 0.0000 | |
| 260 | T | A | 0.0000 | |
| 261 | T | A | -1.7186 | |
| 262 | N | A | -2.0073 | |
| 263 | T | A | -1.7265 | |
| 264 | K | A | -2.4541 | |
| 265 | E | A | -1.8079 | |
| 266 | G | A | -1.0823 | |
| 267 | S | A | -0.6718 | |
| 268 | N | A | 0.0000 | |
| 269 | I | A | 0.0457 | |
| 270 | C | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | T | A | -0.2386 | |
| 273 | R | A | 0.0000 | |
| 274 | T | A | -1.2975 | |
| 275 | D | A | -2.3727 | |
| 276 | R | A | -2.1283 | |
| 277 | G | A | 0.0000 | |
| 278 | W | A | 0.0000 | |
| 279 | Y | A | 0.0000 | |
| 280 | C | A | 0.0000 | |
| 281 | D | A | -0.9564 | |
| 282 | N | A | -1.0906 | |
| 283 | A | A | -0.5802 | |
| 284 | G | A | -0.7544 | |
| 285 | S | A | -0.7767 | |
| 286 | V | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | F | A | 0.0000 | |
| 289 | F | A | 0.0000 | |
| 290 | P | A | -1.5888 | |
| 291 | Q | A | -2.5326 | |
| 292 | A | A | 0.0000 | |
| 293 | E | A | -2.3574 | |
| 294 | T | A | -1.4402 | |
| 295 | C | A | 0.0000 | |
| 296 | K | A | -0.9108 | |
| 297 | V | A | -0.6145 | |
| 298 | Q | A | 0.0000 | |
| 299 | S | A | -1.1139 | |
| 300 | N | A | -1.1175 | |
| 301 | R | A | -1.1005 | |
| 302 | V | A | 0.0000 | |
| 303 | F | A | 0.0000 | |
| 304 | C | A | 0.0000 | |
| 305 | D | A | -0.5088 | |
| 306 | T | A | -0.1767 | |
| 307 | M | A | -0.0130 | |
| 308 | N | A | -1.0500 | |
| 309 | S | A | 0.0000 | |
| 310 | L | A | 0.0973 | |
| 311 | T | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | P | A | -0.7867 | |
| 314 | P | A | -1.0064 | |
| 315 | E | A | -1.0532 | |
| 316 | V | A | 0.0000 | |
| 317 | N | A | -1.0042 | |
| 318 | L | A | 0.0000 | |
| 319 | C | A | 0.0000 | |
| 320 | N | A | -0.5060 | |
| 321 | V | A | -0.0982 | |
| 322 | D | A | -0.8782 | |
| 323 | I | A | 0.3175 | |
| 324 | F | A | 0.6254 | |
| 325 | N | A | -0.5679 | |
| 326 | P | A | -0.9143 | |
| 327 | K | A | -1.5138 | |
| 328 | Y | A | 0.0000 | |
| 329 | D | A | 0.0000 | |
| 330 | C | A | 0.0000 | |
| 331 | K | A | -0.2114 | |
| 332 | I | A | 0.0000 | |
| 333 | M | A | 0.1286 | |
| 334 | T | A | 0.0000 | |
| 335 | S | A | 0.0000 | |
| 336 | K | A | -0.2225 | |
| 337 | T | A | -0.2862 | |
| 338 | D | A | -0.3153 | |
| 339 | V | A | 0.0000 | |
| 340 | S | A | -0.3404 | |
| 341 | S | A | -0.3533 | |
| 342 | S | A | 0.0626 | |
| 343 | V | A | -0.0528 | |
| 344 | I | A | 0.2747 | |
| 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 | 0.0000 | |
| 355 | G | A | -1.4745 | |
| 356 | K | A | -0.9314 | |
| 357 | T | A | 0.0000 | |
| 358 | K | A | -1.6227 | |
| 359 | C | A | 0.0000 | |
| 360 | T | A | 0.0568 | |
| 361 | A | A | 0.0000 | |
| 362 | S | A | 0.1351 | |
| 363 | N | A | 0.0000 | |
| 364 | K | A | -1.7928 | |
| 365 | N | A | -2.7221 | |
| 366 | R | A | -2.6300 | |
| 367 | G | A | -0.7627 | |
| 368 | I | A | 1.5280 | |
| 369 | I | A | 1.7066 | |
| 370 | K | A | 0.0414 | |
| 371 | T | A | 0.1496 | |
| 372 | F | A | 0.2571 | |
| 373 | S | A | -0.6183 | |
| 374 | N | A | -1.0610 | |
| 375 | G | A | 0.0000 | |
| 376 | C | A | 0.0000 | |
| 377 | D | A | -0.2802 | |
| 378 | Y | A | 0.0000 | |
| 379 | V | A | 0.0089 | |
| 380 | S | A | 0.0000 | |
| 381 | N | A | -1.9773 | |
| 382 | K | A | -2.9436 | |
| 383 | G | A | 0.0000 | |
| 384 | V | A | 0.0000 | |
| 385 | D | A | 0.0000 | |
| 386 | T | A | -0.0248 | |
| 387 | V | A | 0.0000 | |
| 388 | S | A | -0.4198 | |
| 389 | V | A | 0.0000 | |
| 390 | G | A | -0.9166 | |
| 391 | N | A | -0.5803 | |
| 392 | T | A | 0.0000 | |
| 393 | L | A | 0.0000 | |
| 394 | Y | A | 0.0000 | |
| 395 | Y | A | 0.2949 | |
| 396 | V | A | 0.0000 | |
| 397 | N | A | 0.0000 | |
| 398 | K | A | 0.0000 | |
| 399 | Q | A | -1.7559 | |
| 400 | E | A | -2.3801 | |
| 401 | G | A | -2.1367 | |
| 402 | K | A | -2.2548 | |
| 403 | S | A | -1.0192 | |
| 404 | L | A | 0.3737 | |
| 405 | Y | A | 0.9314 | |
| 406 | V | A | 0.5116 | |
| 407 | K | A | -0.8476 | |
| 408 | G | A | -1.1119 | |
| 409 | E | A | -1.1750 | |
| 410 | P | A | 0.0000 | |
| 411 | I | A | 0.3286 | |
| 412 | I | A | 0.0000 | |
| 413 | N | A | 0.4796 | |
| 414 | F | A | 1.5570 | |
| 415 | Y | A | 0.9291 | |
| 416 | D | A | 0.6989 | |
| 417 | P | A | 0.5055 | |
| 418 | L | A | 0.7577 | |
| 419 | V | A | 1.6590 | |
| 420 | F | A | 0.0000 | |
| 421 | P | A | 0.1833 | |
| 422 | S | A | 0.0000 | |
| 423 | D | A | 0.0000 | |
| 424 | L | A | 0.5750 | mutated: EL424A |
| 425 | F | A | 0.3837 | |
| 426 | D | A | -0.1091 | |
| 427 | T | A | 0.0000 | mutated: AT427A |
| 428 | S | A | 0.0000 | |
| 429 | I | A | 0.0000 | |
| 430 | S | A | -1.2035 | |
| 431 | Q | A | 0.0000 | |
| 432 | L | A | 0.0000 | mutated: VL432A |
| 433 | N | A | -2.0287 | |
| 434 | E | A | -2.6921 | |
| 435 | K | A | -2.4549 | |
| 436 | I | A | -1.1790 | |
| 437 | N | A | -2.0731 | |
| 438 | Q | A | -1.6560 | |
| 439 | S | A | -0.9112 | |
| 440 | L | A | -0.5887 | |
| 441 | A | A | -0.9909 | |
| 442 | W | A | -0.8061 | |
| 443 | I | A | -1.1520 | |
| 444 | R | A | -2.7511 | |
| 445 | K | A | -2.0308 | |
| 446 | F | A | -1.6851 | |
| 447 | D | A | -3.3938 | |
| 448 | E | A | -3.1264 | |
| 449 | L | A | -1.2770 | |
| 450 | L | A | -1.3764 | |
| 451 | H | A | -1.4942 | |
| 1 | Q | B | -1.8491 | |
| 2 | N | B | -2.2372 | |
| 3 | I | B | 0.0000 | |
| 4 | T | B | -1.4643 | |
| 5 | E | B | 0.0000 | |
| 6 | E | B | -0.4856 | |
| 7 | F | B | 0.0000 | |
| 8 | Y | B | 0.0000 | |
| 9 | Q | B | 0.0000 | |
| 10 | S | B | -0.6932 | |
| 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 | -1.4972 | |
| 18 | G | B | -1.0459 | |
| 19 | Y | B | 0.0000 | |
| 20 | L | B | -0.4579 | |
| 21 | S | B | 0.0000 | |
| 22 | A | B | 0.0000 | |
| 23 | L | B | 0.0000 | |
| 24 | R | B | 0.0240 | |
| 25 | T | B | -0.0127 | |
| 26 | G | B | 0.0182 | |
| 27 | W | B | 0.3605 | |
| 28 | Y | B | 0.3279 | |
| 29 | T | B | 0.2624 | |
| 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 | -1.9874 | |
| 39 | I | B | -2.2118 | |
| 40 | K | B | -3.3368 | |
| 41 | E | B | -3.5244 | |
| 42 | P | B | -2.5340 | |
| 43 | K | B | -3.3944 | |
| 44 | C | B | 0.0000 | |
| 45 | N | B | -2.7427 | |
| 46 | G | B | -2.0542 | |
| 47 | T | B | -1.1500 | |
| 48 | D | B | -1.5049 | |
| 49 | A | B | -1.4554 | |
| 50 | K | B | -1.6215 | |
| 51 | V | B | 0.0000 | |
| 52 | K | B | -2.6867 | |
| 53 | L | B | 0.0000 | |
| 54 | I | B | 0.0000 | |
| 55 | K | B | -2.6731 | |
| 56 | Q | B | -1.5172 | |
| 57 | E | B | 0.0000 | |
| 58 | L | B | 0.0000 | |
| 59 | D | B | -2.0740 | |
| 60 | K | B | -1.3035 | |
| 61 | Y | B | 0.0000 | |
| 62 | K | B | -2.2415 | |
| 63 | N | B | -1.5583 | |
| 64 | A | B | 0.0000 | |
| 65 | V | B | 0.0000 | |
| 66 | T | B | -0.8019 | |
| 67 | E | B | 0.0000 | |
| 68 | L | B | 0.0000 | |
| 69 | Q | B | -0.7610 | |
| 70 | L | B | -0.3047 | |
| 71 | L | B | 0.0000 | |
| 72 | M | B | -0.4805 | |
| 73 | Q | B | -1.1655 | |
| 74 | S | B | 0.0000 | |
| 75 | T | B | 0.0000 | |
| 76 | P | B | -0.3882 | |
| 77 | A | B | -0.8207 | |
| 78 | A | B | 0.0000 | |
| 79 | G | B | 0.0000 | |
| 80 | G | B | -0.4240 | |
| 81 | G | B | -0.4563 | |
| 82 | G | B | -0.2412 | |
| 83 | S | B | 0.0544 | |
| 84 | A | B | 0.2855 | |
| 85 | I | B | 0.3852 | |
| 86 | A | B | 0.0000 | |
| 87 | S | B | -0.1481 | |
| 88 | G | B | 0.0000 | |
| 89 | I | B | -0.2035 | |
| 90 | A | B | -0.5541 | |
| 91 | V | B | 0.0000 | |
| 92 | S | B | 0.0000 | |
| 93 | K | B | -1.0637 | |
| 94 | C | B | 0.0000 | |
| 95 | L | B | 0.0000 | |
| 96 | H | B | -0.6707 | |
| 97 | L | B | -0.4061 | |
| 98 | E | B | -2.0467 | |
| 99 | G | B | -1.8253 | |
| 100 | E | B | 0.0000 | |
| 101 | V | B | 0.0000 | |
| 102 | N | B | -2.2200 | |
| 103 | K | B | -2.4507 | |
| 104 | I | B | 0.0000 | |
| 105 | K | B | -1.1728 | |
| 106 | S | B | -0.8507 | |
| 107 | A | B | -0.5465 | |
| 108 | L | B | 0.0000 | |
| 109 | L | B | 0.4717 | |
| 110 | S | B | -0.0444 | |
| 111 | T | B | -0.4895 | |
| 112 | N | B | -1.5678 | |
| 113 | K | B | -1.2426 | |
| 114 | A | B | 0.0913 | |
| 115 | V | B | 1.4054 | |
| 116 | V | B | 0.0000 | |
| 117 | S | B | -0.0047 | |
| 118 | L | B | 0.0000 | |
| 119 | S | B | -0.2937 | |
| 120 | C | B | -0.4040 | |
| 121 | G | B | -0.9945 | |
| 122 | V | B | -0.0808 | |
| 123 | S | B | 0.3264 | |
| 124 | V | B | 0.0000 | |
| 125 | L | B | 0.0000 | |
| 126 | T | B | 0.0000 | |
| 127 | S | B | -0.6497 | |
| 128 | K | B | -0.9318 | |
| 129 | V | B | -0.4504 | |
| 130 | L | B | -0.3828 | |
| 131 | D | B | -0.9828 | |
| 132 | L | B | 0.0000 | |
| 133 | K | B | -1.6645 | |
| 134 | N | B | -2.0020 | |
| 135 | Y | B | -1.6146 | |
| 136 | I | B | 0.0000 | |
| 137 | D | B | -2.8904 | |
| 138 | K | B | -2.8359 | |
| 139 | Q | B | -1.5652 | |
| 140 | L | B | 0.0000 | |
| 141 | L | B | -1.3497 | |
| 142 | P | B | -1.6144 | |
| 143 | I | B | -1.1922 | |
| 144 | V | B | -1.8200 | |
| 145 | N | B | -2.5740 | |
| 146 | K | B | -2.8211 | |
| 147 | Q | B | -2.9810 | |
| 148 | S | B | -2.1043 | |
| 149 | C | B | 0.0000 | |
| 150 | S | B | -1.3093 | |
| 151 | I | B | 0.0000 | |
| 152 | P | B | -0.5067 | |
| 153 | N | B | -0.7229 | |
| 154 | I | B | 0.0000 | |
| 155 | E | B | -0.7876 | |
| 156 | T | B | 0.0000 | |
| 157 | V | B | 0.0000 | |
| 158 | I | B | 0.0000 | |
| 159 | E | B | 0.0000 | |
| 160 | F | B | 0.0000 | |
| 161 | Q | B | -0.5380 | |
| 162 | Q | B | 0.0000 | |
| 163 | K | B | -0.7561 | |
| 164 | N | B | -0.8479 | |
| 165 | N | B | -1.0945 | |
| 166 | R | B | -0.8319 | |
| 167 | L | B | 0.0000 | |
| 168 | L | B | -0.4859 | |
| 169 | E | B | -0.7893 | |
| 170 | I | B | 0.0000 | |
| 171 | T | B | 0.0000 | |
| 172 | R | B | -0.5008 | |
| 173 | E | B | -0.5239 | |
| 174 | F | B | 0.0000 | |
| 175 | S | B | -0.2328 | |
| 176 | V | B | -0.2488 | |
| 177 | N | B | -0.6014 | |
| 178 | A | B | 0.0000 | |
| 179 | G | B | 0.0000 | |
| 180 | V | B | 0.0000 | |
| 181 | T | B | 0.0000 | |
| 182 | T | B | -0.1395 | |
| 183 | P | B | 0.0000 | |
| 184 | V | B | 0.0000 | |
| 185 | S | B | 0.0000 | |
| 186 | T | B | 0.0000 | |
| 187 | Y | B | 0.0000 | |
| 188 | M | B | 0.0000 | |
| 189 | L | B | 0.0000 | |
| 190 | T | B | -0.1935 | |
| 191 | N | B | -0.2921 | |
| 192 | S | B | -0.3936 | |
| 193 | E | B | -0.8543 | |
| 194 | L | B | 0.0000 | |
| 195 | L | B | -0.5259 | |
| 196 | S | B | -0.8684 | |
| 197 | L | B | 0.0000 | |
| 198 | I | B | 0.0000 | |
| 199 | N | B | -2.1834 | |
| 200 | D | B | -1.4609 | |
| 201 | M | B | 0.0000 | |
| 202 | P | B | -0.7829 | |
| 203 | I | B | -0.8687 | |
| 204 | T | B | -1.6493 | |
| 205 | N | B | -3.0021 | |
| 206 | D | B | -2.9720 | |
| 207 | Q | B | 0.0000 | |
| 208 | K | B | -2.5161 | |
| 209 | K | B | -3.1023 | |
| 210 | L | B | 0.0000 | |
| 211 | M | B | 0.0000 | |
| 212 | S | B | -1.0622 | |
| 213 | N | B | -1.0621 | |
| 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 | -0.5962 | |
| 221 | Q | B | -0.7221 | |
| 222 | S | B | 0.0000 | |
| 223 | Y | B | 0.2824 | |
| 224 | S | B | 0.0000 | |
| 225 | I | B | 0.0000 | |
| 226 | M | B | 0.0000 | |
| 227 | S | B | 0.0000 | |
| 228 | I | B | -0.4022 | |
| 229 | I | B | 0.0000 | |
| 230 | K | B | -1.1266 | |
| 231 | E | B | -0.9275 | |
| 232 | E | B | -1.0527 | |
| 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 | 0.2012 | |
| 243 | Y | B | 0.0000 | |
| 244 | G | B | 0.2114 | |
| 245 | V | B | 0.2986 | |
| 246 | I | B | -0.3155 | |
| 247 | D | B | -1.2801 | |
| 248 | T | B | 0.0000 | |
| 249 | P | B | -0.8096 | |
| 250 | C | B | 0.0000 | |
| 251 | W | B | -0.3900 | |
| 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 | -0.0101 | |
| 258 | L | B | 0.0000 | |
| 259 | C | B | 0.0000 | |
| 260 | T | B | -0.6107 | |
| 261 | T | B | -1.2006 | |
| 262 | N | B | -1.9698 | |
| 263 | T | B | -1.9476 | |
| 264 | K | B | -2.4280 | |
| 265 | E | B | -1.6900 | |
| 266 | G | B | 0.0000 | |
| 267 | S | B | -1.1587 | |
| 268 | N | B | 0.0000 | |
| 269 | I | B | -0.2086 | |
| 270 | C | B | 0.0000 | |
| 271 | L | B | 0.0000 | |
| 272 | T | B | -0.1277 | |
| 273 | R | B | 0.0000 | |
| 274 | T | B | -0.6999 | |
| 275 | D | B | -1.0966 | |
| 276 | R | B | -1.3307 | |
| 277 | G | B | 0.0000 | |
| 278 | W | B | 0.0000 | |
| 279 | Y | B | 0.0000 | |
| 280 | C | B | 0.0000 | |
| 281 | D | B | -0.8513 | |
| 282 | N | B | -1.3288 | |
| 283 | A | B | -0.7982 | |
| 284 | G | B | -0.7403 | |
| 285 | S | B | -0.7239 | |
| 286 | V | B | 0.0000 | |
| 287 | S | B | 0.0000 | |
| 288 | F | B | 0.1965 | |
| 289 | F | B | -0.3946 | |
| 290 | P | B | -1.0692 | |
| 291 | Q | B | -1.8751 | |
| 292 | A | B | 0.0000 | |
| 293 | E | B | -2.1670 | |
| 294 | T | B | -1.1757 | |
| 295 | C | B | -0.7903 | |
| 296 | K | B | 0.0000 | |
| 297 | V | B | -0.3578 | |
| 298 | Q | B | 0.0000 | |
| 299 | S | B | -0.7022 | |
| 300 | N | B | -1.0595 | |
| 301 | R | B | -0.7760 | |
| 302 | V | B | 0.0000 | |
| 303 | F | B | 0.0000 | |
| 304 | C | B | 0.0000 | |
| 305 | D | B | -0.3693 | |
| 306 | T | B | 0.0000 | |
| 307 | M | B | 0.3986 | |
| 308 | N | B | -0.0426 | |
| 309 | S | B | 0.0668 | |
| 310 | L | B | 0.1941 | |
| 311 | T | B | -0.1876 | |
| 312 | L | B | 0.0000 | |
| 313 | P | B | -0.4774 | |
| 314 | P | B | 0.0000 | |
| 315 | E | B | -0.3600 | |
| 316 | V | B | -0.0414 | |
| 317 | N | B | 0.1444 | |
| 318 | L | B | 0.9865 | |
| 319 | C | B | 0.0000 | |
| 320 | N | B | -0.4658 | |
| 321 | V | B | 0.0000 | |
| 322 | D | B | -0.9531 | |
| 323 | I | B | 0.0000 | |
| 324 | F | B | 0.0927 | |
| 325 | N | B | -1.1624 | |
| 326 | P | B | -1.3386 | |
| 327 | K | B | -2.1167 | |
| 328 | Y | B | 0.0000 | |
| 329 | D | B | -1.0369 | |
| 330 | C | B | 0.0000 | |
| 331 | K | B | -0.5899 | |
| 332 | I | B | 0.0000 | |
| 333 | M | B | 0.0064 | |
| 334 | T | B | 0.0000 | |
| 335 | S | B | 0.0000 | |
| 336 | K | B | 0.0000 | |
| 337 | T | B | -0.1169 | |
| 338 | D | B | -0.2973 | |
| 339 | V | B | 0.1810 | |
| 340 | S | B | 0.0000 | |
| 341 | S | B | 0.0080 | |
| 342 | S | B | 0.0819 | |
| 343 | V | B | 0.1310 | |
| 344 | I | B | 0.0000 | |
| 345 | T | B | 0.0000 | |
| 346 | S | B | 0.0000 | |
| 347 | L | B | 0.0000 | |
| 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 | 0.0000 | |
| 355 | G | B | -1.6137 | |
| 356 | K | B | -1.7884 | |
| 357 | T | B | -1.5409 | |
| 358 | K | B | -2.1509 | |
| 359 | C | B | 0.0000 | |
| 360 | T | B | -0.4859 | |
| 361 | A | B | 0.0000 | |
| 362 | S | B | 0.0000 | |
| 363 | N | B | -1.1438 | |
| 364 | K | B | -1.5252 | |
| 365 | N | B | -1.5252 | |
| 366 | R | B | -1.9431 | |
| 367 | G | B | -0.3961 | |
| 368 | I | B | 1.6746 | |
| 369 | I | B | 1.3941 | |
| 370 | K | B | -0.4019 | |
| 371 | T | B | -0.3110 | |
| 372 | F | B | -0.3681 | |
| 373 | S | B | -0.8631 | |
| 374 | N | B | 0.0000 | |
| 375 | G | B | -0.7602 | |
| 376 | C | B | -0.3774 | |
| 377 | D | B | -0.4608 | |
| 378 | Y | B | 0.0000 | |
| 379 | V | B | 0.0726 | |
| 380 | S | B | 0.0000 | |
| 381 | N | B | -2.2921 | |
| 382 | K | B | -3.2360 | |
| 383 | G | B | -1.9864 | |
| 384 | V | B | 0.0000 | |
| 385 | D | B | 0.0000 | |
| 386 | T | B | 0.0000 | |
| 387 | V | B | 0.0000 | |
| 388 | S | B | -0.6080 | |
| 389 | V | B | 0.0000 | |
| 390 | G | B | -1.0718 | |
| 391 | N | B | -0.5309 | |
| 392 | T | B | 0.0000 | |
| 393 | L | B | 0.0000 | |
| 394 | Y | B | 0.0000 | |
| 395 | Y | B | 0.0000 | |
| 396 | V | B | 0.0000 | |
| 397 | N | B | 0.0000 | |
| 398 | K | B | 0.0000 | |
| 399 | Q | B | -2.1722 | |
| 400 | E | B | -2.5579 | |
| 401 | G | B | -2.4488 | |
| 402 | K | B | -2.5765 | |
| 403 | S | B | -0.7066 | |
| 404 | L | B | 1.1481 | |
| 405 | Y | B | 1.1421 | |
| 406 | V | B | 0.3244 | |
| 407 | K | B | -1.2934 | |
| 408 | G | B | -0.9044 | |
| 409 | E | B | -0.6730 | |
| 410 | P | B | -0.4777 | |
| 411 | I | B | 0.0000 | |
| 412 | I | B | 0.0000 | |
| 413 | N | B | -1.4125 | |
| 414 | F | B | 0.1370 | |
| 415 | Y | B | 0.0000 | |
| 416 | D | B | -1.7001 | |
| 417 | P | B | -0.5985 | |
| 418 | L | B | 0.2211 | |
| 419 | V | B | 1.3868 | |
| 420 | F | B | 0.0000 | |
| 421 | P | B | 0.1907 | |
| 422 | S | B | 0.0000 | |
| 423 | D | B | 0.0000 | |
| 424 | L | B | 0.0000 | mutated: EL424B |
| 425 | F | B | 0.1860 | |
| 426 | D | B | -0.3692 | |
| 427 | T | B | 0.0000 | mutated: AT427B |
| 428 | S | B | -0.8862 | |
| 429 | I | B | 0.0000 | |
| 430 | S | B | -1.3707 | |
| 431 | Q | B | 0.0000 | |
| 432 | L | B | 0.0000 | mutated: VL432B |
| 433 | N | B | -1.6588 | |
| 434 | E | B | -2.7079 | |
| 435 | K | B | -1.5433 | |
| 436 | I | B | 0.0000 | |
| 437 | N | B | -1.9266 | |
| 438 | Q | B | -1.5984 | |
| 439 | S | B | -0.3108 | |
| 440 | L | B | 0.1500 | |
| 441 | A | B | -0.8476 | |
| 442 | W | B | -0.2878 | |
| 443 | I | B | -0.3101 | |
| 444 | R | B | -2.4151 | |
| 445 | K | B | -1.5594 | |
| 446 | F | B | 0.0000 | |
| 447 | D | B | -2.6691 | |
| 448 | E | B | -2.4740 | |
| 449 | L | B | -0.6679 | |
| 450 | L | B | 0.1219 | |
| 451 | H | B | -1.3285 | |
| 1 | Q | C | -2.1751 | |
| 2 | N | C | -2.5468 | |
| 3 | I | C | 0.0000 | |
| 4 | T | C | -1.2967 | |
| 5 | E | C | 0.0000 | |
| 6 | E | C | 0.5264 | |
| 7 | F | C | 0.0000 | |
| 8 | Y | C | 0.0000 | |
| 9 | Q | C | -0.4259 | |
| 10 | S | C | -0.6254 | |
| 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 | -0.9723 | |
| 18 | G | C | -1.1663 | |
| 19 | Y | C | 0.0000 | |
| 20 | L | C | -0.0964 | |
| 21 | S | C | 0.0000 | |
| 22 | A | C | 0.0000 | |
| 23 | L | C | 0.0000 | |
| 24 | R | C | 0.0000 | |
| 25 | T | C | 0.2297 | |
| 26 | G | C | 0.2921 | |
| 27 | W | C | 0.4637 | |
| 28 | Y | C | 0.4807 | |
| 29 | T | C | 0.2475 | |
| 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 | -1.0870 | |
| 36 | L | C | 0.0000 | |
| 37 | S | C | 0.0000 | |
| 38 | N | C | -0.9809 | |
| 39 | I | C | 0.1567 | |
| 40 | K | C | -1.7959 | |
| 41 | E | C | -2.2880 | |
| 42 | P | C | -1.9018 | |
| 43 | K | C | -2.4270 | |
| 44 | C | C | 0.0000 | |
| 45 | N | C | -2.1222 | |
| 46 | G | C | -1.4857 | |
| 47 | T | C | -1.1238 | |
| 48 | D | C | -1.3996 | |
| 49 | A | C | -0.7814 | |
| 50 | K | C | -1.4908 | |
| 51 | V | C | 0.0000 | |
| 52 | K | C | -1.9743 | |
| 53 | L | C | 0.0000 | |
| 54 | I | C | 0.0000 | |
| 55 | K | C | -1.8026 | |
| 56 | Q | C | -1.7552 | |
| 57 | E | C | 0.0000 | |
| 58 | L | C | 0.0000 | |
| 59 | D | C | -1.7822 | |
| 60 | K | C | -1.3643 | |
| 61 | Y | C | 0.0000 | |
| 62 | K | C | -1.2662 | |
| 63 | N | C | -0.8694 | |
| 64 | A | C | 0.0000 | |
| 65 | V | C | 0.0000 | |
| 66 | T | C | -0.4805 | |
| 67 | E | C | 0.0000 | |
| 68 | L | C | 0.0000 | |
| 69 | Q | C | -1.4217 | |
| 70 | L | C | -0.8262 | |
| 71 | L | C | 0.0000 | |
| 72 | M | C | 0.0000 | |
| 73 | Q | C | -1.5136 | |
| 74 | S | C | -0.9397 | |
| 75 | T | C | -0.4782 | |
| 76 | P | C | 0.0000 | |
| 77 | A | C | -0.0142 | |
| 78 | A | C | 0.0000 | |
| 79 | G | C | -0.5536 | |
| 80 | G | C | -0.8200 | |
| 81 | G | C | -0.4463 | |
| 82 | G | C | -0.1950 | |
| 83 | S | C | 0.0000 | |
| 84 | A | C | 0.0524 | |
| 85 | I | C | 0.2294 | |
| 86 | A | C | 0.0000 | |
| 87 | S | C | 0.0387 | |
| 88 | G | C | 0.0000 | |
| 89 | I | C | 0.0000 | |
| 90 | A | C | -0.3178 | |
| 91 | V | C | 0.0000 | |
| 92 | S | C | 0.0000 | |
| 93 | K | C | -0.6490 | |
| 94 | C | C | 0.0000 | |
| 95 | L | C | 0.0000 | |
| 96 | H | C | -0.7813 | |
| 97 | L | C | -0.3540 | |
| 98 | E | C | -2.0492 | |
| 99 | G | C | -2.0409 | |
| 100 | E | C | -1.8125 | |
| 101 | V | C | 0.0000 | |
| 102 | N | C | -2.9763 | |
| 103 | K | C | -2.4923 | |
| 104 | I | C | 0.0000 | |
| 105 | K | C | -1.8743 | |
| 106 | S | C | -0.9081 | |
| 107 | A | C | -0.3692 | |
| 108 | L | C | -0.2501 | |
| 109 | L | C | 0.8851 | |
| 110 | S | C | 0.0478 | |
| 111 | T | C | -0.2747 | |
| 112 | N | C | -0.5972 | |
| 113 | K | C | -1.2510 | |
| 114 | A | C | 0.2361 | |
| 115 | V | C | 1.4496 | |
| 116 | V | C | 0.0000 | |
| 117 | S | C | -0.0236 | |
| 118 | L | C | 0.0000 | |
| 119 | S | C | -0.0936 | |
| 120 | C | C | -0.4594 | |
| 121 | G | C | -1.3858 | |
| 122 | V | C | 0.0000 | |
| 123 | S | C | 0.0619 | |
| 124 | V | C | 0.0000 | |
| 125 | L | C | 0.7445 | |
| 126 | T | C | 0.0000 | |
| 127 | S | C | -0.3954 | |
| 128 | K | C | -0.6362 | |
| 129 | V | C | -0.1096 | |
| 130 | L | C | 0.0000 | |
| 131 | D | C | -0.7009 | |
| 132 | L | C | 0.0000 | |
| 133 | K | C | -1.3253 | |
| 134 | N | C | -1.6284 | |
| 135 | Y | C | -1.1018 | |
| 136 | I | C | 0.0000 | |
| 137 | D | C | -2.0558 | |
| 138 | K | C | -2.3478 | |
| 139 | Q | C | -1.2944 | |
| 140 | L | C | 0.0000 | |
| 141 | L | C | -1.1729 | |
| 142 | P | C | -1.1754 | |
| 143 | I | C | -0.8570 | |
| 144 | V | C | 0.0000 | |
| 145 | N | C | -2.3230 | |
| 146 | K | C | -2.4798 | |
| 147 | Q | C | -2.2273 | |
| 148 | S | C | -1.2070 | |
| 149 | C | C | -1.2767 | |
| 150 | S | C | -0.8054 | |
| 151 | I | C | 0.0000 | |
| 152 | P | C | 0.0000 | |
| 153 | N | C | -1.4312 | |
| 154 | I | C | 0.0000 | |
| 155 | E | C | 0.0000 | |
| 156 | T | C | -0.5974 | |
| 157 | V | C | 0.0000 | |
| 158 | I | C | 0.0000 | |
| 159 | E | C | -0.7717 | |
| 160 | F | C | 0.0000 | |
| 161 | Q | C | -1.0747 | |
| 162 | Q | C | -1.0285 | |
| 163 | K | C | -0.8548 | |
| 164 | N | C | 0.0000 | |
| 165 | N | C | -1.6549 | |
| 166 | R | C | -1.0345 | |
| 167 | L | C | 0.0000 | |
| 168 | L | C | -0.7238 | |
| 169 | E | C | -0.7125 | |
| 170 | I | C | 0.0000 | |
| 171 | T | C | 0.0000 | |
| 172 | R | C | -0.5778 | |
| 173 | E | C | -0.3347 | |
| 174 | F | C | 0.0000 | |
| 175 | S | C | 0.0000 | |
| 176 | V | C | -0.0702 | |
| 177 | N | C | -0.4377 | |
| 178 | A | C | -0.2506 | |
| 179 | G | C | 0.0000 | |
| 180 | V | C | 0.2285 | |
| 181 | T | C | 0.0000 | |
| 182 | T | C | -0.0844 | |
| 183 | P | C | -0.1183 | |
| 184 | V | C | 0.0000 | |
| 185 | S | C | 0.0000 | |
| 186 | T | C | 0.0000 | |
| 187 | Y | C | 0.0661 | |
| 188 | M | C | 0.0000 | |
| 189 | L | C | 0.0000 | |
| 190 | T | C | -0.1492 | |
| 191 | N | C | -0.1681 | |
| 192 | S | C | -0.2581 | |
| 193 | E | C | -0.3280 | |
| 194 | L | C | 0.0000 | |
| 195 | L | C | 0.1372 | |
| 196 | S | C | -0.4891 | |
| 197 | L | C | -0.4845 | |
| 198 | I | C | 0.0000 | |
| 199 | N | C | -1.5576 | |
| 200 | D | C | -1.9783 | |
| 201 | M | C | -1.1275 | |
| 202 | P | C | -1.2321 | |
| 203 | I | C | -0.8431 | |
| 204 | T | C | -1.0740 | |
| 205 | N | C | -2.2417 | |
| 206 | D | C | -2.2452 | |
| 207 | Q | C | 0.0000 | |
| 208 | K | C | -2.1066 | |
| 209 | K | C | -2.6623 | |
| 210 | L | C | 0.0000 | |
| 211 | M | C | 0.0000 | |
| 212 | S | C | -0.9038 | |
| 213 | N | C | -1.0525 | |
| 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 | -0.4801 | |
| 221 | Q | C | -0.3702 | |
| 222 | S | C | 0.0000 | |
| 223 | Y | C | 0.1680 | |
| 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 | -1.0398 | |
| 230 | K | C | -1.8997 | |
| 231 | E | C | -2.4567 | |
| 232 | E | C | -1.8179 | |
| 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 | 0.6798 | |
| 243 | Y | C | 0.6422 | |
| 244 | G | C | 0.3360 | |
| 245 | V | C | 0.1510 | |
| 246 | I | C | 0.0622 | |
| 247 | D | C | -0.4378 | |
| 248 | T | C | 0.0000 | |
| 249 | P | C | -0.4146 | |
| 250 | C | C | 0.0000 | |
| 251 | W | C | -0.0962 | |
| 252 | K | C | 0.0000 | |
| 253 | L | C | 0.0000 | |
| 254 | H | C | -0.3816 | |
| 255 | T | C | -0.2268 | |
| 256 | S | C | 0.0000 | |
| 257 | P | C | -0.0344 | |
| 258 | L | C | 0.0000 | |
| 259 | C | C | 0.0000 | |
| 260 | T | C | -0.9541 | |
| 261 | T | C | -1.2726 | |
| 262 | N | C | -1.7254 | |
| 263 | T | C | -1.3378 | |
| 264 | K | C | -1.7981 | |
| 265 | E | C | -1.9557 | |
| 266 | G | C | -1.4228 | |
| 267 | S | C | 0.0000 | |
| 268 | N | C | -0.9531 | |
| 269 | I | C | 0.0000 | |
| 270 | C | C | 0.0000 | |
| 271 | L | C | 0.0000 | |
| 272 | T | C | -0.2587 | |
| 273 | R | C | 0.0000 | |
| 274 | T | C | 0.0000 | |
| 275 | D | C | -1.5557 | |
| 276 | R | C | 0.0000 | |
| 277 | G | C | -0.9643 | |
| 278 | W | C | 0.0000 | |
| 279 | Y | C | 0.0000 | |
| 280 | C | C | 0.0000 | |
| 281 | D | C | -0.7731 | |
| 282 | N | C | -0.7735 | |
| 283 | A | C | -0.4825 | |
| 284 | G | C | -0.7128 | |
| 285 | S | C | -0.6877 | |
| 286 | V | C | 0.0000 | |
| 287 | S | C | 0.0000 | |
| 288 | F | C | 0.0000 | |
| 289 | F | C | 0.0000 | |
| 290 | P | C | -1.3884 | |
| 291 | Q | C | -2.0757 | |
| 292 | A | C | -1.7139 | |
| 293 | E | C | -2.3025 | |
| 294 | T | C | -1.2951 | |
| 295 | C | C | -0.7794 | |
| 296 | K | C | -0.6759 | |
| 297 | V | C | 0.0000 | |
| 298 | Q | C | 0.0000 | |
| 299 | S | C | -0.8167 | |
| 300 | N | C | -0.7441 | |
| 301 | R | C | -0.4721 | |
| 302 | V | C | 0.0000 | |
| 303 | F | C | 0.0000 | |
| 304 | C | C | 0.0000 | |
| 305 | D | C | -0.5286 | |
| 306 | T | C | 0.0000 | |
| 307 | M | C | -0.1036 | |
| 308 | N | C | -1.0709 | |
| 309 | S | C | 0.0000 | |
| 310 | L | C | -0.0158 | |
| 311 | T | C | 0.0000 | |
| 312 | L | C | 0.0000 | |
| 313 | P | C | -0.3529 | |
| 314 | P | C | -0.3354 | |
| 315 | E | C | 0.0000 | |
| 316 | V | C | 0.0000 | |
| 317 | N | C | -0.2513 | |
| 318 | L | C | 0.2265 | |
| 319 | C | C | 0.0000 | |
| 320 | N | C | 0.5809 | |
| 321 | V | C | 1.4481 | |
| 322 | D | C | 0.9329 | |
| 323 | I | C | 0.0000 | |
| 324 | F | C | 1.5533 | |
| 325 | N | C | -0.0207 | |
| 326 | P | C | -0.5861 | |
| 327 | K | C | -1.2658 | |
| 328 | Y | C | -0.0305 | |
| 329 | D | C | -0.1934 | |
| 330 | C | C | 0.0000 | |
| 331 | K | C | -0.2506 | |
| 332 | I | C | 0.0000 | |
| 333 | M | C | -0.1869 | |
| 334 | T | C | 0.0000 | |
| 335 | S | C | -0.1355 | |
| 336 | K | C | -0.3631 | |
| 337 | T | C | -0.3395 | |
| 338 | D | C | -0.5035 | |
| 339 | V | C | 0.0000 | |
| 340 | S | C | 0.0000 | |
| 341 | S | C | 0.0266 | |
| 342 | S | C | 0.2362 | |
| 343 | V | C | 0.2422 | |
| 344 | I | C | 0.0000 | |
| 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 | 0.0000 | |
| 355 | G | C | -1.3932 | |
| 356 | K | C | -1.3989 | |
| 357 | T | C | -1.3996 | |
| 358 | K | C | -1.8811 | |
| 359 | C | C | 0.0000 | |
| 360 | T | C | 0.0156 | |
| 361 | A | C | 0.0000 | |
| 362 | S | C | 0.3636 | |
| 363 | N | C | 0.0000 | |
| 364 | K | C | -2.2189 | |
| 365 | N | C | -2.7402 | |
| 366 | R | C | -2.5400 | |
| 367 | G | C | -0.5122 | |
| 368 | I | C | 1.5729 | |
| 369 | I | C | 2.2864 | |
| 370 | K | C | 0.9439 | |
| 371 | T | C | 0.4237 | |
| 372 | F | C | 0.2470 | |
| 373 | S | C | -0.8049 | |
| 374 | N | C | -0.7632 | |
| 375 | G | C | -0.6098 | |
| 376 | C | C | -0.1398 | |
| 377 | D | C | -0.3356 | |
| 378 | Y | C | 0.0700 | |
| 379 | V | C | 0.0000 | |
| 380 | S | C | 0.0000 | |
| 381 | N | C | -0.8347 | |
| 382 | K | C | -1.9986 | |
| 383 | G | C | 0.0000 | |
| 384 | V | C | 0.0000 | |
| 385 | D | C | -1.6174 | |
| 386 | T | C | -0.2264 | |
| 387 | V | C | 0.0000 | |
| 388 | S | C | -0.3537 | |
| 389 | V | C | 0.0000 | |
| 390 | G | C | -1.0400 | |
| 391 | N | C | -0.9283 | |
| 392 | T | C | 0.0000 | |
| 393 | L | C | 0.1964 | |
| 394 | Y | C | 0.0000 | |
| 395 | Y | C | -0.0963 | |
| 396 | V | C | 0.0000 | |
| 397 | N | C | 0.0000 | |
| 398 | K | C | -2.9302 | |
| 399 | Q | C | -2.6508 | |
| 400 | E | C | -3.2657 | |
| 401 | G | C | -2.7314 | |
| 402 | K | C | -2.3203 | |
| 403 | S | C | -0.1889 | |
| 404 | L | C | 1.5142 | |
| 405 | Y | C | 1.5137 | |
| 406 | V | C | 0.6647 | |
| 407 | K | C | -1.0962 | |
| 408 | G | C | -1.0129 | |
| 409 | E | C | -0.4219 | |
| 410 | P | C | 0.2482 | |
| 411 | I | C | 0.4644 | |
| 412 | I | C | -0.0396 | |
| 413 | N | C | -1.2603 | |
| 414 | F | C | 0.0000 | |
| 415 | Y | C | -0.0962 | |
| 416 | D | C | -1.0259 | |
| 417 | P | C | -0.1025 | |
| 418 | L | C | 0.5239 | |
| 419 | V | C | 1.2348 | |
| 420 | F | C | 0.0000 | |
| 421 | P | C | 0.2729 | |
| 422 | S | C | 0.1033 | |
| 423 | D | C | 0.0000 | |
| 424 | L | C | 0.0000 | mutated: EL424C |
| 425 | F | C | 0.3887 | |
| 426 | D | C | -0.2996 | |
| 427 | T | C | 0.0000 | mutated: AT427C |
| 428 | S | C | 0.0000 | |
| 429 | I | C | 0.0000 | |
| 430 | S | C | -0.4917 | |
| 431 | Q | C | 0.0000 | |
| 432 | L | C | 0.0000 | mutated: VL432C |
| 433 | N | C | -1.1179 | |
| 434 | E | C | -2.0203 | |
| 435 | K | C | -1.4324 | |
| 436 | I | C | -0.4446 | |
| 437 | N | C | -1.6399 | |
| 438 | Q | C | -1.8277 | |
| 439 | S | C | -0.7723 | |
| 440 | L | C | -0.6018 | |
| 441 | A | C | -0.9511 | |
| 442 | W | C | -1.0279 | |
| 443 | I | C | -1.0575 | |
| 444 | R | C | -2.7375 | |
| 445 | K | C | -2.0489 | |
| 446 | F | C | 0.0000 | |
| 447 | D | C | -2.9363 | |
| 448 | E | C | -2.9781 | |
| 449 | L | C | -1.0025 | |
| 450 | L | C | -0.9315 | |
| 451 | H | C | -1.7041 |
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, -0.5069 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_3 | -0.5069 | View | CSV | PDB |
| model_9 | -0.5271 | View | CSV | PDB |
| model_8 | -0.5305 | View | CSV | PDB |
| model_1 | -0.5484 | View | CSV | PDB |
| model_4 | -0.5587 | View | CSV | PDB |
| CABS_average | -0.5611 | View | CSV | PDB |
| model_11 | -0.5694 | View | CSV | PDB |
| model_10 | -0.5726 | View | CSV | PDB |
| model_2 | -0.5745 | View | CSV | PDB |
| model_5 | -0.5802 | View | CSV | PDB |
| model_6 | -0.5808 | View | CSV | PDB |
| model_7 | -0.5881 | View | CSV | PDB |
| model_0 | -0.5963 | View | CSV | PDB |
| input | -0.6387 | 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