Project name: RSV_424L427T432L_61F164L167F [mutate: YF61A, NL164A, LF167A, EL424A, AT427A, VL432A, YF61C, NL164C, LF167C, EL424C, AT427C, VL432C, YF61B, NL164B, LF167B, EL424B, AT427B, VL432B]
Status: done
Started: 2025-12-11 15:26:17
| 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,EL424B,LF167A,VL432A,EL424A,AT427A,NL164B,VL432B,VL432C,AT427B,AT427C,LF167B,EL424C |
| Energy difference between WT (input) and mutated protein (by FoldX) | -9.98773 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 (00:00:04)
[INFO] FoldX: Building mutant model (00:43:28)
[INFO] CABS: Running CABS flex simulation (01:09:21)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (10:48:32)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (10:49:02)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (10:49:32)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (10:50:01)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (10:50:31)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (10:51:02)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (10:51:32)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (10:52:03)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (10:52:32)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (10:53:02)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (10:53:32)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (10:54:01)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (10:54:32)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (10:55:35)
[INFO] Main: Simulation completed successfully. (10:56:05)
|
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
- -3.5045
- Maximal score value
- 2.0946
- Average score
- -0.5081
- Total score value
- -687.408
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 | -1.4022 | |
| 2 | N | A | 0.0000 | |
| 3 | I | A | 0.4220 | |
| 4 | T | A | -0.5090 | |
| 5 | E | A | 0.0000 | |
| 6 | E | A | 0.1862 | |
| 7 | F | A | 0.0000 | |
| 8 | Y | A | 0.4481 | |
| 9 | Q | A | 0.0000 | |
| 10 | S | A | 0.2309 | |
| 11 | T | A | 0.0000 | |
| 12 | C | A | 0.0000 | |
| 13 | S | A | 0.0000 | |
| 14 | A | A | 0.0000 | |
| 15 | V | A | -0.4417 | |
| 16 | S | A | 0.0000 | |
| 17 | K | A | -1.2114 | |
| 18 | G | A | -0.4038 | |
| 19 | Y | A | 0.0000 | |
| 20 | L | A | -0.4607 | |
| 21 | S | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | R | A | 0.1622 | |
| 25 | T | A | -0.0351 | |
| 26 | G | A | -0.2848 | |
| 27 | W | A | 0.2449 | |
| 28 | Y | A | 0.3496 | |
| 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 | -1.9708 | |
| 38 | N | A | -2.1818 | |
| 39 | I | A | 0.0000 | |
| 40 | K | A | -2.8063 | |
| 41 | E | A | -3.5045 | |
| 42 | P | A | 0.0000 | |
| 43 | K | A | -3.3190 | |
| 44 | C | A | 0.0000 | |
| 45 | N | A | -2.9741 | |
| 46 | G | A | -2.1528 | |
| 47 | T | A | -1.4872 | |
| 48 | D | A | -2.2257 | |
| 49 | A | A | -1.5606 | |
| 50 | K | A | -1.4018 | |
| 51 | V | A | 0.0000 | |
| 52 | K | A | -2.1975 | |
| 53 | L | A | 0.0000 | |
| 54 | I | A | 0.0000 | |
| 55 | K | A | -2.5494 | |
| 56 | Q | A | -1.7563 | |
| 57 | E | A | 0.0000 | |
| 58 | L | A | 0.0000 | |
| 59 | D | A | -2.9558 | |
| 60 | K | A | -1.7853 | |
| 61 | F | A | 0.0000 | mutated: YF61A |
| 62 | K | A | -2.6101 | |
| 63 | N | A | -1.8897 | |
| 64 | A | A | 0.0000 | |
| 65 | V | A | 0.0000 | |
| 66 | T | A | -0.7137 | |
| 67 | E | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | Q | A | -1.0753 | |
| 70 | L | A | -0.3415 | |
| 71 | L | A | 0.0000 | |
| 72 | M | A | -0.5202 | |
| 73 | Q | A | -1.2319 | |
| 74 | S | A | 0.0000 | |
| 75 | T | A | -0.4781 | |
| 76 | P | A | -0.2040 | |
| 77 | A | A | 0.0000 | |
| 78 | A | A | -0.0743 | |
| 79 | G | A | 0.0000 | |
| 80 | G | A | -0.4026 | |
| 81 | G | A | -0.7201 | |
| 82 | G | A | -0.1623 | |
| 83 | S | A | 0.1303 | |
| 84 | A | A | 0.2838 | |
| 85 | I | A | 0.3441 | |
| 86 | A | A | 0.0000 | |
| 87 | S | A | -0.0720 | |
| 88 | G | A | 0.0000 | |
| 89 | I | A | 0.0000 | |
| 90 | A | A | -0.4878 | |
| 91 | V | A | 0.0000 | |
| 92 | S | A | 0.0000 | |
| 93 | K | A | -1.1085 | |
| 94 | C | A | -0.3443 | |
| 95 | L | A | 0.0000 | |
| 96 | H | A | -1.2162 | |
| 97 | L | A | -0.0168 | |
| 98 | E | A | -1.7871 | |
| 99 | G | A | -1.6482 | |
| 100 | E | A | 0.0000 | |
| 101 | V | A | 0.0000 | |
| 102 | N | A | -3.0358 | |
| 103 | K | A | -2.9038 | |
| 104 | I | A | 0.0000 | |
| 105 | K | A | -1.6502 | |
| 106 | S | A | -1.0698 | |
| 107 | A | A | -0.4135 | |
| 108 | L | A | 0.0000 | |
| 109 | L | A | 0.8156 | |
| 110 | S | A | -0.1551 | |
| 111 | T | A | -0.4482 | |
| 112 | N | A | -1.0303 | |
| 113 | K | A | -0.3641 | |
| 114 | A | A | 0.6169 | |
| 115 | V | A | 1.7036 | |
| 116 | V | A | 0.0000 | |
| 117 | S | A | 0.1276 | |
| 118 | L | A | 0.0000 | |
| 119 | S | A | -0.3866 | |
| 120 | C | A | 0.3293 | |
| 121 | G | A | -0.1747 | |
| 122 | V | A | 0.1002 | |
| 123 | S | A | 0.5011 | |
| 124 | V | A | 0.0000 | |
| 125 | L | A | 0.9382 | |
| 126 | T | A | 0.0000 | |
| 127 | S | A | 0.0000 | |
| 128 | K | A | 0.0000 | |
| 129 | V | A | 0.0253 | |
| 130 | L | A | 0.0000 | |
| 131 | D | A | 0.0000 | |
| 132 | L | A | 0.0000 | |
| 133 | K | A | -2.0963 | |
| 134 | N | A | -2.0522 | |
| 135 | Y | A | -1.2713 | |
| 136 | I | A | 0.0000 | |
| 137 | D | A | -2.7854 | |
| 138 | K | A | -2.5791 | |
| 139 | Q | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | -1.4979 | |
| 142 | P | A | -1.4020 | |
| 143 | I | A | -1.1932 | |
| 144 | V | A | 0.0000 | |
| 145 | N | A | -2.6893 | |
| 146 | K | A | -2.8220 | |
| 147 | Q | A | -2.8736 | |
| 148 | S | A | -1.5694 | |
| 149 | C | A | 0.0000 | |
| 150 | S | A | -0.8083 | |
| 151 | I | A | 0.0000 | |
| 152 | P | A | -0.4836 | |
| 153 | N | A | -0.7309 | |
| 154 | I | A | 0.0000 | |
| 155 | E | A | 0.0000 | |
| 156 | T | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | E | A | -0.6358 | |
| 160 | F | A | 0.0000 | |
| 161 | Q | A | 0.0000 | |
| 162 | Q | A | -0.5478 | |
| 163 | K | A | 0.0000 | |
| 164 | L | A | 0.0000 | mutated: NL164A |
| 165 | N | A | -0.9100 | |
| 166 | R | A | -0.6993 | |
| 167 | F | A | 0.0000 | mutated: LF167A |
| 168 | L | A | 0.0000 | |
| 169 | E | A | -1.1791 | |
| 170 | I | A | 0.0000 | |
| 171 | T | A | 0.0000 | |
| 172 | R | A | -0.7867 | |
| 173 | E | A | -0.6868 | |
| 174 | F | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | V | A | -0.2010 | |
| 177 | N | A | -0.3219 | |
| 178 | A | A | 0.0000 | |
| 179 | G | A | 0.0000 | |
| 180 | V | A | 0.3742 | |
| 181 | T | A | 0.0000 | |
| 182 | T | A | -0.0477 | |
| 183 | P | A | 0.0000 | |
| 184 | V | A | 0.0000 | |
| 185 | S | A | 0.0597 | |
| 186 | T | A | 0.2715 | |
| 187 | Y | A | 0.6293 | |
| 188 | M | A | 0.0000 | |
| 189 | L | A | 0.0000 | |
| 190 | T | A | 0.1853 | |
| 191 | N | A | 0.0000 | |
| 192 | S | A | -0.3940 | |
| 193 | E | A | -0.6162 | |
| 194 | L | A | 0.0000 | |
| 195 | L | A | -0.7266 | |
| 196 | S | A | -0.9539 | |
| 197 | L | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | N | A | -2.3899 | |
| 200 | D | A | -2.4099 | |
| 201 | M | A | 0.0000 | |
| 202 | P | A | -0.9538 | |
| 203 | I | A | -0.8614 | |
| 204 | T | A | -1.6655 | |
| 205 | N | A | -2.8803 | |
| 206 | D | A | -2.7671 | |
| 207 | Q | A | 0.0000 | |
| 208 | K | A | -2.4208 | |
| 209 | K | A | -2.6452 | |
| 210 | L | A | -1.2641 | |
| 211 | M | A | 0.0000 | |
| 212 | S | A | -0.9169 | |
| 213 | N | A | -0.8707 | |
| 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 | -0.6029 | |
| 221 | Q | A | -0.3657 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | 0.2327 | |
| 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 | -1.5813 | |
| 230 | K | A | -2.7846 | |
| 231 | E | A | -3.1120 | |
| 232 | E | A | -2.8660 | |
| 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 | 0.3013 | |
| 243 | Y | A | 0.0000 | |
| 244 | G | A | 0.0082 | |
| 245 | V | A | 0.1906 | |
| 246 | I | A | -0.3010 | |
| 247 | D | A | -1.5103 | |
| 248 | T | A | 0.0000 | |
| 249 | P | A | -0.6781 | |
| 250 | C | A | 0.0000 | |
| 251 | W | A | -0.5746 | |
| 252 | K | A | 0.0000 | |
| 253 | L | A | 0.0000 | |
| 254 | H | A | 0.0000 | |
| 255 | T | A | 0.0000 | |
| 256 | S | A | 0.0000 | |
| 257 | P | A | -0.1348 | |
| 258 | L | A | 0.0000 | |
| 259 | C | A | 0.0000 | |
| 260 | T | A | 0.2303 | |
| 261 | T | A | -0.4214 | |
| 262 | N | A | 0.0000 | |
| 263 | T | A | -1.1298 | |
| 264 | K | A | -2.1149 | |
| 265 | E | A | -1.5680 | |
| 266 | G | A | -1.1242 | |
| 267 | S | A | -0.8531 | |
| 268 | N | A | 0.0000 | |
| 269 | I | A | 0.0000 | |
| 270 | C | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | T | A | -0.2281 | |
| 273 | R | A | -0.4440 | |
| 274 | T | A | -1.0054 | |
| 275 | D | A | -1.7413 | |
| 276 | R | A | -1.8371 | |
| 277 | G | A | 0.0000 | |
| 278 | W | A | 0.0000 | |
| 279 | Y | A | 0.0000 | |
| 280 | C | A | 0.0000 | |
| 281 | D | A | -0.6337 | |
| 282 | N | A | 0.0000 | |
| 283 | A | A | -0.3729 | |
| 284 | G | A | -0.6098 | |
| 285 | S | A | -0.5866 | |
| 286 | V | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | F | A | 0.0000 | |
| 289 | F | A | 0.0000 | |
| 290 | P | A | -1.6047 | |
| 291 | Q | A | -2.4829 | |
| 292 | A | A | 0.0000 | |
| 293 | E | A | -2.4224 | |
| 294 | T | A | 0.0000 | |
| 295 | C | A | -0.8535 | |
| 296 | K | A | -0.8507 | |
| 297 | V | A | -0.3337 | |
| 298 | Q | A | -0.6142 | |
| 299 | S | A | -0.7884 | |
| 300 | N | A | -0.8448 | |
| 301 | R | A | -0.6325 | |
| 302 | V | A | 0.0000 | |
| 303 | F | A | 0.1200 | |
| 304 | C | A | 0.0000 | |
| 305 | D | A | 0.0000 | |
| 306 | T | A | 0.0000 | |
| 307 | M | A | 0.3774 | |
| 308 | N | A | -1.2132 | |
| 309 | S | A | -0.2230 | |
| 310 | L | A | 0.0458 | |
| 311 | T | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | P | A | -0.6627 | |
| 314 | P | A | -0.6308 | |
| 315 | E | A | 0.0000 | |
| 316 | V | A | 0.0000 | |
| 317 | N | A | -0.7896 | |
| 318 | L | A | 0.3431 | |
| 319 | C | A | 0.0000 | |
| 320 | N | A | -0.2455 | |
| 321 | V | A | 1.1131 | |
| 322 | D | A | 0.0000 | |
| 323 | I | A | 1.0221 | |
| 324 | F | A | 0.0000 | |
| 325 | N | A | -0.4226 | |
| 326 | P | A | -0.8174 | |
| 327 | K | A | -1.7585 | |
| 328 | Y | A | 0.0000 | |
| 329 | D | A | -0.8692 | |
| 330 | C | A | 0.0000 | |
| 331 | K | A | -0.4045 | |
| 332 | I | A | 0.0000 | |
| 333 | M | A | 0.0929 | |
| 334 | T | A | 0.0000 | |
| 335 | S | A | 0.0613 | |
| 336 | K | A | 0.0000 | |
| 337 | T | A | -0.0824 | |
| 338 | D | A | 0.0000 | |
| 339 | V | A | 0.0000 | |
| 340 | S | A | -0.1705 | |
| 341 | S | A | 0.0000 | |
| 342 | S | A | 0.1390 | |
| 343 | V | A | 0.0960 | |
| 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 | -0.3972 | |
| 355 | G | A | -0.6051 | |
| 356 | K | A | 0.0000 | |
| 357 | T | A | 0.0000 | |
| 358 | K | A | -1.7857 | |
| 359 | C | A | 0.0000 | |
| 360 | T | A | 0.1125 | |
| 361 | A | A | 0.0000 | |
| 362 | S | A | -0.1197 | |
| 363 | N | A | -1.5483 | |
| 364 | K | A | -2.7346 | |
| 365 | N | A | -3.0147 | |
| 366 | R | A | -2.8805 | |
| 367 | G | A | -1.4089 | |
| 368 | I | A | 0.7491 | |
| 369 | I | A | 1.9163 | |
| 370 | K | A | 1.0223 | |
| 371 | T | A | 0.0670 | |
| 372 | F | A | 0.0986 | |
| 373 | S | A | -0.5696 | |
| 374 | N | A | -0.8622 | |
| 375 | G | A | -0.5206 | |
| 376 | C | A | 0.0000 | |
| 377 | D | A | 0.0000 | |
| 378 | Y | A | 0.0660 | |
| 379 | V | A | 0.0000 | |
| 380 | S | A | 0.0000 | |
| 381 | N | A | -2.0261 | |
| 382 | K | A | -1.8102 | |
| 383 | G | A | 0.0000 | |
| 384 | V | A | 0.0000 | |
| 385 | D | A | -1.8333 | |
| 386 | T | A | -0.2951 | |
| 387 | V | A | 0.0000 | |
| 388 | S | A | -0.2419 | |
| 389 | V | A | 0.0000 | |
| 390 | G | A | -0.8365 | |
| 391 | N | A | -0.4150 | |
| 392 | T | A | 0.0000 | |
| 393 | L | A | 0.3062 | |
| 394 | Y | A | 0.2443 | |
| 395 | Y | A | -0.1391 | |
| 396 | V | A | 0.0000 | |
| 397 | N | A | 0.0000 | |
| 398 | K | A | -2.3816 | |
| 399 | Q | A | -1.6863 | |
| 400 | E | A | -1.5708 | |
| 401 | G | A | -1.2430 | |
| 402 | K | A | -1.4356 | |
| 403 | S | A | -0.3891 | |
| 404 | L | A | 0.8413 | |
| 405 | Y | A | 1.3229 | |
| 406 | V | A | 0.9367 | |
| 407 | K | A | -1.3520 | |
| 408 | G | A | -1.7909 | |
| 409 | E | A | -2.1351 | |
| 410 | P | A | -0.5585 | |
| 411 | I | A | 1.3289 | |
| 412 | I | A | 1.9662 | |
| 413 | N | A | 0.7109 | |
| 414 | F | A | 0.7738 | |
| 415 | Y | A | 0.4209 | |
| 416 | D | A | -0.5558 | |
| 417 | P | A | -0.3544 | |
| 418 | L | A | 0.9673 | |
| 419 | V | A | 0.0000 | |
| 420 | F | A | 0.7652 | |
| 421 | P | A | 0.0000 | |
| 422 | S | A | 0.0000 | |
| 423 | D | A | 0.0000 | |
| 424 | L | A | 0.0000 | mutated: EL424A |
| 425 | F | A | 0.0000 | |
| 426 | D | A | -0.0633 | |
| 427 | T | A | -0.2451 | mutated: AT427A |
| 428 | S | A | -0.2883 | |
| 429 | I | A | -0.1734 | |
| 430 | S | A | -0.7417 | |
| 431 | Q | A | -0.8458 | |
| 432 | L | A | 0.0000 | mutated: VL432A |
| 433 | N | A | -1.3223 | |
| 434 | E | A | -1.5337 | |
| 435 | K | A | -0.9100 | |
| 436 | I | A | -0.0521 | |
| 437 | N | A | -1.0958 | |
| 438 | Q | A | -0.8700 | |
| 439 | S | A | 0.4656 | |
| 440 | L | A | 1.0237 | |
| 441 | A | A | -0.0903 | |
| 442 | W | A | 0.1181 | |
| 443 | I | A | 0.1606 | |
| 444 | R | A | -2.0146 | |
| 445 | K | A | -1.6260 | |
| 446 | F | A | 0.0000 | |
| 447 | D | A | -2.9650 | |
| 448 | E | A | -2.7306 | |
| 449 | L | A | 0.0000 | |
| 450 | L | A | -0.6161 | |
| 451 | H | A | -1.4155 | |
| 1 | Q | B | -1.4597 | |
| 2 | N | B | 0.0000 | |
| 3 | I | B | 0.4907 | |
| 4 | T | B | -0.2141 | |
| 5 | E | B | 0.0000 | |
| 6 | E | B | 0.1383 | |
| 7 | F | B | 0.0000 | |
| 8 | Y | B | 0.0000 | |
| 9 | Q | B | -0.4457 | |
| 10 | S | B | -0.5395 | |
| 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 | -0.0074 | |
| 18 | G | B | 0.1364 | |
| 19 | Y | B | 0.0000 | |
| 20 | L | B | 0.6776 | |
| 21 | S | B | 0.0000 | |
| 22 | A | B | 0.0000 | |
| 23 | L | B | 0.0000 | |
| 24 | R | B | 0.0000 | |
| 25 | T | B | 0.0312 | |
| 26 | G | B | 0.1821 | |
| 27 | W | B | 0.5322 | |
| 28 | Y | B | 0.8194 | |
| 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 | -1.8226 | |
| 36 | L | B | 0.0000 | |
| 37 | S | B | 0.0000 | |
| 38 | N | B | 0.0000 | |
| 39 | I | B | 0.0000 | |
| 40 | K | B | -2.4684 | |
| 41 | E | B | -2.6246 | |
| 42 | P | B | 0.0000 | |
| 43 | K | B | -3.2156 | |
| 44 | C | B | 0.0000 | |
| 45 | N | B | -2.9275 | |
| 46 | G | B | -2.2837 | |
| 47 | T | B | -1.9730 | |
| 48 | D | B | -2.0002 | |
| 49 | A | B | -1.6037 | |
| 50 | K | B | -1.5415 | |
| 51 | V | B | 0.0000 | |
| 52 | K | B | -2.8352 | |
| 53 | L | B | 0.0000 | |
| 54 | I | B | 0.0000 | |
| 55 | K | B | -3.4681 | |
| 56 | Q | B | -2.2017 | |
| 57 | E | B | 0.0000 | |
| 58 | L | B | -2.3978 | |
| 59 | D | B | -2.9223 | |
| 60 | K | B | -1.8365 | |
| 61 | F | B | 0.0000 | mutated: YF61B |
| 62 | K | B | -2.5599 | |
| 63 | N | B | -1.3705 | |
| 64 | A | B | 0.0000 | |
| 65 | V | B | 0.0000 | |
| 66 | T | B | -0.8218 | |
| 67 | E | B | 0.0000 | |
| 68 | L | B | 0.0000 | |
| 69 | Q | B | -0.9029 | |
| 70 | L | B | 0.0252 | |
| 71 | L | B | 0.0000 | |
| 72 | M | B | -0.1968 | |
| 73 | Q | B | -0.9349 | |
| 74 | S | B | 0.0000 | |
| 75 | T | B | -0.1936 | |
| 76 | P | B | -0.4714 | |
| 77 | A | B | -0.7435 | |
| 78 | A | B | 0.0000 | |
| 79 | G | B | 0.0000 | |
| 80 | G | B | -0.8336 | |
| 81 | G | B | -0.8478 | |
| 82 | G | B | -0.3870 | |
| 83 | S | B | 0.0000 | |
| 84 | A | B | 0.0724 | |
| 85 | I | B | 0.0000 | |
| 86 | A | B | 0.0000 | |
| 87 | S | B | -0.0768 | |
| 88 | G | B | 0.0000 | |
| 89 | I | B | 0.0000 | |
| 90 | A | B | -0.6976 | |
| 91 | V | B | 0.0000 | |
| 92 | S | B | -0.5974 | |
| 93 | K | B | -1.5283 | |
| 94 | C | B | -0.6628 | |
| 95 | L | B | 0.0000 | |
| 96 | H | B | -1.5140 | |
| 97 | L | B | -0.3750 | |
| 98 | E | B | -2.2212 | |
| 99 | G | B | -1.7942 | |
| 100 | E | B | -2.2169 | |
| 101 | V | B | -2.1288 | |
| 102 | N | B | -2.7707 | |
| 103 | K | B | -3.0259 | |
| 104 | I | B | 0.0000 | |
| 105 | K | B | -1.6327 | |
| 106 | S | B | -1.0992 | |
| 107 | A | B | -0.3768 | |
| 108 | L | B | -0.1105 | |
| 109 | L | B | 0.6810 | |
| 110 | S | B | -0.0441 | |
| 111 | T | B | -0.1729 | |
| 112 | N | B | -0.5186 | |
| 113 | K | B | -0.6678 | |
| 114 | A | B | 0.0000 | |
| 115 | V | B | 1.7254 | |
| 116 | V | B | 0.8088 | |
| 117 | S | B | 0.5540 | |
| 118 | L | B | 0.5380 | |
| 119 | S | B | 0.0117 | |
| 120 | C | B | -0.1452 | |
| 121 | G | B | -1.0047 | |
| 122 | V | B | 0.3032 | |
| 123 | S | B | 0.7395 | |
| 124 | V | B | 0.0000 | |
| 125 | L | B | 0.7552 | |
| 126 | T | B | 0.0000 | |
| 127 | S | B | 0.0000 | |
| 128 | K | B | -0.9749 | |
| 129 | V | B | -0.5347 | |
| 130 | L | B | 0.0000 | |
| 131 | D | B | -1.4568 | |
| 132 | L | B | 0.0000 | |
| 133 | K | B | -2.9870 | |
| 134 | N | B | -2.5517 | |
| 135 | Y | B | 0.0000 | |
| 136 | I | B | -1.9845 | |
| 137 | D | B | -2.7355 | |
| 138 | K | B | -2.0238 | |
| 139 | Q | B | -1.3886 | |
| 140 | L | B | 0.0000 | |
| 141 | L | B | -0.9760 | |
| 142 | P | B | -1.0436 | |
| 143 | I | B | -1.2375 | |
| 144 | V | B | 0.0000 | |
| 145 | N | B | -2.5878 | |
| 146 | K | B | -2.7329 | |
| 147 | Q | B | -2.6987 | |
| 148 | S | B | -1.2983 | |
| 149 | C | B | -1.2798 | |
| 150 | S | B | -0.6930 | |
| 151 | I | B | 0.0000 | |
| 152 | P | B | 0.0000 | |
| 153 | N | B | -0.4416 | |
| 154 | I | B | -0.1294 | |
| 155 | E | B | 0.0000 | |
| 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 | -0.5713 | |
| 162 | Q | B | 0.0000 | |
| 163 | K | B | -0.8283 | |
| 164 | L | B | 0.0000 | mutated: NL164B |
| 165 | N | B | -0.9948 | |
| 166 | R | B | -1.0305 | |
| 167 | F | B | 0.0000 | mutated: LF167B |
| 168 | L | B | -0.5743 | |
| 169 | E | B | -0.7678 | |
| 170 | I | B | 0.0000 | |
| 171 | T | B | 0.0000 | |
| 172 | R | B | -0.7410 | |
| 173 | E | B | -0.4475 | |
| 174 | F | B | 0.0000 | |
| 175 | S | B | 0.0000 | |
| 176 | V | B | 0.0714 | |
| 177 | N | B | -0.2387 | |
| 178 | A | B | 0.0000 | |
| 179 | G | B | 0.0000 | |
| 180 | V | B | 0.2483 | |
| 181 | T | B | 0.0000 | |
| 182 | T | B | -0.1994 | |
| 183 | P | B | -0.2386 | |
| 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 | -0.2474 | |
| 191 | N | B | 0.0000 | |
| 192 | S | B | -0.2594 | |
| 193 | E | B | -0.5214 | |
| 194 | L | B | 0.0000 | |
| 195 | L | B | -0.3000 | |
| 196 | S | B | -0.6963 | |
| 197 | L | B | 0.0000 | |
| 198 | I | B | 0.0000 | |
| 199 | N | B | -2.3193 | |
| 200 | D | B | -1.5579 | |
| 201 | M | B | 0.0000 | |
| 202 | P | B | -0.7402 | |
| 203 | I | B | -1.1268 | |
| 204 | T | B | -1.7232 | |
| 205 | N | B | -3.0749 | |
| 206 | D | B | -3.1854 | |
| 207 | Q | B | -2.2806 | |
| 208 | K | B | -2.4447 | |
| 209 | K | B | -2.8635 | |
| 210 | L | B | -1.5479 | |
| 211 | M | B | 0.0000 | |
| 212 | S | B | -1.1544 | |
| 213 | N | B | -0.7323 | |
| 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 | -0.6404 | |
| 221 | Q | B | -0.5967 | |
| 222 | S | B | 0.0000 | |
| 223 | Y | B | 0.0581 | |
| 224 | S | B | 0.0000 | |
| 225 | I | B | 0.0000 | |
| 226 | M | B | 0.0000 | |
| 227 | S | B | 0.0000 | |
| 228 | I | B | -0.7178 | |
| 229 | I | B | 0.0000 | |
| 230 | K | B | -2.3912 | |
| 231 | E | B | -2.8988 | |
| 232 | E | B | -2.4956 | |
| 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 | 0.2733 | |
| 243 | Y | B | 0.0000 | |
| 244 | G | B | -0.3298 | |
| 245 | V | B | -0.2041 | |
| 246 | I | B | -0.2606 | |
| 247 | D | B | -1.3224 | |
| 248 | T | B | 0.0000 | |
| 249 | P | B | -0.1975 | |
| 250 | C | B | 0.0000 | |
| 251 | W | B | 0.3486 | |
| 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 | -0.1697 | |
| 258 | L | B | 0.0000 | |
| 259 | C | B | -0.1147 | |
| 260 | T | B | -0.4781 | |
| 261 | T | B | -0.8380 | |
| 262 | N | B | -1.5488 | |
| 263 | T | B | -1.6418 | |
| 264 | K | B | -2.2841 | |
| 265 | E | B | -2.0361 | |
| 266 | G | B | -1.2853 | |
| 267 | S | B | -1.2228 | |
| 268 | N | B | 0.0000 | |
| 269 | I | B | 0.0000 | |
| 270 | C | B | 0.0000 | |
| 271 | L | B | 0.0000 | |
| 272 | T | B | 0.0000 | |
| 273 | R | B | 0.0000 | |
| 274 | T | B | -0.9663 | |
| 275 | D | B | -2.1214 | |
| 276 | R | B | -1.7267 | |
| 277 | G | B | 0.0000 | |
| 278 | W | B | 0.0000 | |
| 279 | Y | B | -0.0228 | |
| 280 | C | B | 0.0000 | |
| 281 | D | B | -1.0763 | |
| 282 | N | B | -0.8573 | |
| 283 | A | B | -0.5275 | |
| 284 | G | B | -0.8635 | |
| 285 | S | B | -0.8308 | |
| 286 | V | B | 0.0000 | |
| 287 | S | B | 0.0000 | |
| 288 | F | B | 0.0000 | |
| 289 | F | B | 0.0000 | |
| 290 | P | B | -1.4796 | |
| 291 | Q | B | -2.4289 | |
| 292 | A | B | -2.0135 | |
| 293 | E | B | -2.3805 | |
| 294 | T | B | 0.0000 | |
| 295 | C | B | -0.7414 | |
| 296 | K | B | -0.5972 | |
| 297 | V | B | -0.1753 | |
| 298 | Q | B | 0.0000 | |
| 299 | S | B | -1.0115 | |
| 300 | N | B | -0.7378 | |
| 301 | R | B | -0.5635 | |
| 302 | V | B | 0.0000 | |
| 303 | F | B | 0.0000 | |
| 304 | C | B | 0.0000 | |
| 305 | D | B | -0.6139 | |
| 306 | T | B | 0.0000 | |
| 307 | M | B | -0.1718 | |
| 308 | N | B | -1.4214 | |
| 309 | S | B | -0.3946 | |
| 310 | L | B | 0.3069 | |
| 311 | T | B | 0.0000 | |
| 312 | L | B | -0.3280 | |
| 313 | P | B | -1.0224 | |
| 314 | P | B | -1.6491 | |
| 315 | E | B | -2.1976 | |
| 316 | V | B | 0.0000 | |
| 317 | N | B | -1.7626 | |
| 318 | L | B | 0.0000 | |
| 319 | C | B | 0.0000 | |
| 320 | N | B | -1.1116 | |
| 321 | V | B | 0.0000 | |
| 322 | D | B | -1.4860 | |
| 323 | I | B | -0.0184 | |
| 324 | F | B | -0.6208 | |
| 325 | N | B | -1.8354 | |
| 326 | P | B | -1.6613 | |
| 327 | K | B | -2.2435 | |
| 328 | Y | B | 0.0000 | |
| 329 | D | B | 0.0000 | |
| 330 | C | B | 0.0000 | |
| 331 | K | B | -0.1648 | |
| 332 | I | B | 0.0000 | |
| 333 | M | B | 0.5015 | |
| 334 | T | B | 0.0000 | |
| 335 | S | B | 0.0000 | |
| 336 | K | B | -0.3111 | |
| 337 | T | B | -0.2471 | |
| 338 | D | B | 0.0000 | |
| 339 | V | B | 0.0000 | |
| 340 | S | B | 0.0000 | |
| 341 | S | B | -0.1487 | |
| 342 | S | B | 0.2182 | |
| 343 | V | B | 0.1032 | |
| 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 | -0.5219 | |
| 355 | G | B | -0.9423 | |
| 356 | K | B | -0.9018 | |
| 357 | T | B | -0.9935 | |
| 358 | K | B | -1.5844 | |
| 359 | C | B | 0.0000 | |
| 360 | T | B | 0.2555 | |
| 361 | A | B | 0.0000 | |
| 362 | S | B | 0.0000 | |
| 363 | N | B | -2.3414 | |
| 364 | K | B | -2.5523 | |
| 365 | N | B | -2.1157 | |
| 366 | R | B | -2.4501 | |
| 367 | G | B | -0.8487 | |
| 368 | I | B | 1.2393 | |
| 369 | I | B | 1.0478 | |
| 370 | K | B | 0.1468 | |
| 371 | T | B | 0.1954 | |
| 372 | F | B | 0.1196 | |
| 373 | S | B | -0.5636 | |
| 374 | N | B | -0.7450 | |
| 375 | G | B | -0.5171 | |
| 376 | C | B | -0.3734 | |
| 377 | D | B | -0.3651 | |
| 378 | Y | B | 0.0000 | |
| 379 | V | B | -0.5735 | |
| 380 | S | B | -1.1203 | |
| 381 | N | B | -2.3049 | |
| 382 | K | B | -2.4604 | |
| 383 | G | B | -1.9252 | |
| 384 | V | B | 0.0000 | |
| 385 | D | B | -1.9498 | |
| 386 | T | B | 0.0000 | |
| 387 | V | B | 0.0000 | |
| 388 | S | B | -0.3293 | |
| 389 | V | B | 0.0000 | |
| 390 | G | B | -0.8031 | |
| 391 | N | B | -0.1320 | |
| 392 | T | B | 0.0000 | |
| 393 | L | B | 0.0939 | |
| 394 | Y | B | 0.0000 | |
| 395 | Y | B | 0.0269 | |
| 396 | V | B | 0.0000 | |
| 397 | N | B | 0.0000 | |
| 398 | K | B | -1.6912 | |
| 399 | Q | B | -1.3989 | |
| 400 | E | B | -1.4350 | |
| 401 | G | B | -1.1959 | |
| 402 | K | B | -1.4523 | |
| 403 | S | B | -0.2334 | |
| 404 | L | B | 0.9390 | |
| 405 | Y | B | 1.2963 | |
| 406 | V | B | 1.3842 | |
| 407 | K | B | -0.6343 | |
| 408 | G | B | -1.1278 | |
| 409 | E | B | 0.0000 | |
| 410 | P | B | 0.0000 | |
| 411 | I | B | 0.0000 | |
| 412 | I | B | -0.3941 | |
| 413 | N | B | -1.1696 | |
| 414 | F | B | -0.0635 | |
| 415 | Y | B | 0.0000 | |
| 416 | D | B | -1.7223 | |
| 417 | P | B | -0.9017 | |
| 418 | L | B | 0.0030 | |
| 419 | V | B | 0.6759 | |
| 420 | F | B | 0.0000 | |
| 421 | P | B | 0.1915 | |
| 422 | S | B | 0.0000 | |
| 423 | D | B | 0.0000 | |
| 424 | L | B | 1.0746 | mutated: EL424B |
| 425 | F | B | 1.8217 | |
| 426 | D | B | 0.0000 | |
| 427 | T | B | 0.0000 | mutated: AT427B |
| 428 | S | B | 0.0000 | |
| 429 | I | B | 0.0000 | |
| 430 | S | B | -0.6906 | |
| 431 | Q | B | -0.8225 | |
| 432 | L | B | 0.0000 | mutated: VL432B |
| 433 | N | B | -1.0523 | |
| 434 | E | B | -1.5693 | |
| 435 | K | B | -1.0639 | |
| 436 | I | B | 0.0000 | |
| 437 | N | B | -0.9969 | |
| 438 | Q | B | -1.3010 | |
| 439 | S | B | -0.4894 | |
| 440 | L | B | -0.3443 | |
| 441 | A | B | -0.9208 | |
| 442 | W | B | -0.6526 | |
| 443 | I | B | -0.9110 | |
| 444 | R | B | -2.8262 | |
| 445 | K | B | -2.5385 | |
| 446 | F | B | 0.0000 | |
| 447 | D | B | -2.9894 | |
| 448 | E | B | -3.1632 | |
| 449 | L | B | -1.5277 | |
| 450 | L | B | -1.2194 | |
| 451 | H | B | -1.3232 | |
| 1 | Q | C | 0.0000 | |
| 2 | N | C | -2.5118 | |
| 3 | I | C | 0.0000 | |
| 4 | T | C | -1.5103 | |
| 5 | E | C | 0.0000 | |
| 6 | E | C | -0.2529 | |
| 7 | F | C | 0.0000 | |
| 8 | Y | C | -0.3540 | |
| 9 | Q | C | 0.0000 | |
| 10 | S | C | -1.0611 | |
| 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 | -1.4316 | |
| 18 | G | C | -1.1512 | |
| 19 | Y | C | 0.0000 | |
| 20 | L | C | -0.6165 | |
| 21 | S | C | 0.0000 | |
| 22 | A | C | 0.0000 | |
| 23 | L | C | 0.0000 | |
| 24 | R | C | 0.0000 | |
| 25 | T | C | 0.1594 | |
| 26 | G | C | 0.2106 | |
| 27 | W | C | 0.3512 | |
| 28 | Y | C | 0.2432 | |
| 29 | T | C | 0.1771 | |
| 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 | -1.8263 | |
| 36 | L | C | 0.0000 | |
| 37 | S | C | 0.0000 | |
| 38 | N | C | -2.0859 | |
| 39 | I | C | -2.1577 | |
| 40 | K | C | -3.1866 | |
| 41 | E | C | -3.2597 | |
| 42 | P | C | 0.0000 | |
| 43 | K | C | -2.9809 | |
| 44 | C | C | 0.0000 | |
| 45 | N | C | -2.3811 | |
| 46 | G | C | -1.5630 | |
| 47 | T | C | -0.9799 | |
| 48 | D | C | -1.3326 | |
| 49 | A | C | -1.0466 | |
| 50 | K | C | -1.2665 | |
| 51 | V | C | 0.0000 | |
| 52 | K | C | -2.1118 | |
| 53 | L | C | 0.0000 | |
| 54 | I | C | 0.0000 | |
| 55 | K | C | -2.3684 | |
| 56 | Q | C | -2.2317 | |
| 57 | E | C | 0.0000 | |
| 58 | L | C | 0.0000 | |
| 59 | D | C | -2.5643 | |
| 60 | K | C | -1.6466 | |
| 61 | F | C | 0.0000 | mutated: YF61C |
| 62 | K | C | -2.1300 | |
| 63 | N | C | -1.3523 | |
| 64 | A | C | -0.5965 | |
| 65 | V | C | -0.7710 | |
| 66 | T | C | -0.5834 | |
| 67 | E | C | 0.0000 | |
| 68 | L | C | 0.0000 | |
| 69 | Q | C | -1.0183 | |
| 70 | L | C | -0.5327 | |
| 71 | L | C | 0.0000 | |
| 72 | M | C | -0.7226 | |
| 73 | Q | C | -1.2582 | |
| 74 | S | C | 0.0000 | |
| 75 | T | C | -0.4465 | |
| 76 | P | C | -0.2782 | |
| 77 | A | C | 0.0000 | |
| 78 | A | C | 0.0000 | |
| 79 | G | C | 0.0000 | |
| 80 | G | C | -0.6024 | |
| 81 | G | C | -0.3615 | |
| 82 | G | C | -0.3288 | |
| 83 | S | C | 0.0000 | |
| 84 | A | C | 0.2612 | |
| 85 | I | C | 0.4420 | |
| 86 | A | C | 0.0000 | |
| 87 | S | C | 0.1035 | |
| 88 | G | C | 0.0000 | |
| 89 | I | C | -0.0022 | |
| 90 | A | C | -0.5949 | |
| 91 | V | C | -0.0511 | |
| 92 | S | C | 0.0000 | |
| 93 | K | C | -1.4328 | |
| 94 | C | C | -0.4101 | |
| 95 | L | C | 0.0000 | |
| 96 | H | C | -1.2560 | |
| 97 | L | C | -0.3312 | |
| 98 | E | C | -1.8678 | |
| 99 | G | C | -1.5775 | |
| 100 | E | C | 0.0000 | |
| 101 | V | C | 0.0000 | |
| 102 | N | C | -2.1127 | |
| 103 | K | C | -2.2886 | |
| 104 | I | C | 0.0000 | |
| 105 | K | C | -1.8853 | |
| 106 | S | C | -0.9719 | |
| 107 | A | C | 0.1399 | |
| 108 | L | C | 2.0946 | |
| 109 | L | C | 1.9240 | |
| 110 | S | C | 0.5267 | |
| 111 | T | C | -0.5920 | |
| 112 | N | C | -1.5216 | |
| 113 | K | C | 0.0000 | |
| 114 | A | C | 0.0000 | |
| 115 | V | C | 0.8223 | |
| 116 | V | C | 0.0000 | |
| 117 | S | C | -0.1478 | |
| 118 | L | C | 0.0000 | |
| 119 | S | C | -0.2015 | |
| 120 | C | C | 0.3645 | |
| 121 | G | C | -0.2572 | |
| 122 | V | C | 0.0907 | |
| 123 | S | C | -0.0574 | |
| 124 | V | C | 0.0000 | |
| 125 | L | C | 0.0000 | |
| 126 | T | C | 0.0000 | |
| 127 | S | C | 0.0000 | |
| 128 | K | C | -1.9615 | |
| 129 | V | C | -0.9826 | |
| 130 | L | C | -0.6868 | |
| 131 | D | C | -1.3856 | |
| 132 | L | C | 0.0000 | |
| 133 | K | C | -1.4076 | |
| 134 | N | C | -1.7129 | |
| 135 | Y | C | -0.4513 | |
| 136 | I | C | 0.0000 | |
| 137 | D | C | -1.6451 | |
| 138 | K | C | -1.9750 | |
| 139 | Q | C | -1.0062 | |
| 140 | L | C | 0.0000 | |
| 141 | L | C | -1.3489 | |
| 142 | P | C | -1.4464 | |
| 143 | I | C | -0.9710 | |
| 144 | V | C | 0.0000 | |
| 145 | N | C | -2.9683 | |
| 146 | K | C | -2.9356 | |
| 147 | Q | C | -2.8644 | |
| 148 | S | C | -1.9767 | |
| 149 | C | C | -1.3653 | |
| 150 | S | C | -1.1097 | |
| 151 | I | C | 0.0000 | |
| 152 | P | C | -0.4434 | |
| 153 | N | C | -0.8528 | |
| 154 | I | C | 0.0000 | |
| 155 | E | C | 0.0000 | |
| 156 | T | C | 0.0000 | |
| 157 | V | C | 0.0000 | |
| 158 | I | C | 0.0000 | |
| 159 | E | C | -0.6461 | |
| 160 | F | C | 0.0000 | |
| 161 | Q | C | -0.5279 | |
| 162 | Q | C | -0.5642 | |
| 163 | K | C | -0.3273 | |
| 164 | L | C | 0.0000 | mutated: NL164C |
| 165 | N | C | -0.6026 | |
| 166 | R | C | -0.4795 | |
| 167 | F | C | 0.0000 | mutated: LF167C |
| 168 | L | C | 0.1735 | |
| 169 | E | C | -0.3979 | |
| 170 | I | C | 0.0000 | |
| 171 | T | C | 0.0000 | |
| 172 | R | C | -0.5235 | |
| 173 | E | C | -0.4280 | |
| 174 | F | C | 0.0000 | |
| 175 | S | C | 0.0000 | |
| 176 | V | C | -0.0921 | |
| 177 | N | C | -0.3698 | |
| 178 | A | C | -0.1575 | |
| 179 | G | C | 0.0000 | |
| 180 | V | C | 0.2054 | |
| 181 | T | C | 0.0000 | |
| 182 | T | C | 0.1201 | |
| 183 | P | C | 0.0000 | |
| 184 | V | C | 0.0000 | |
| 185 | S | C | -0.0867 | |
| 186 | T | C | 0.0000 | |
| 187 | Y | C | -0.0836 | |
| 188 | M | C | 0.0000 | |
| 189 | L | C | 0.0000 | |
| 190 | T | C | -0.1418 | |
| 191 | N | C | -0.1548 | |
| 192 | S | C | -0.3754 | |
| 193 | E | C | -0.7723 | |
| 194 | L | C | 0.0000 | |
| 195 | L | C | -0.0788 | |
| 196 | S | C | 0.0000 | |
| 197 | L | C | 0.0000 | |
| 198 | I | C | 0.0000 | |
| 199 | N | C | -1.5284 | |
| 200 | D | C | -0.9945 | |
| 201 | M | C | 0.0000 | |
| 202 | P | C | -0.5098 | |
| 203 | I | C | -0.7688 | |
| 204 | T | C | -1.2863 | |
| 205 | N | C | -2.5129 | |
| 206 | D | C | -2.4943 | |
| 207 | Q | C | -1.8132 | |
| 208 | K | C | -2.2385 | |
| 209 | K | C | -2.8150 | |
| 210 | L | C | 0.0000 | |
| 211 | M | C | 0.0000 | |
| 212 | S | C | -1.1754 | |
| 213 | N | C | -0.7908 | |
| 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 | -0.2827 | |
| 221 | Q | C | -0.3027 | |
| 222 | S | C | 0.0000 | |
| 223 | Y | C | 0.6026 | |
| 224 | S | C | 0.0000 | |
| 225 | I | C | 0.0000 | |
| 226 | M | C | 0.0000 | |
| 227 | S | C | -0.7019 | |
| 228 | I | C | 0.0000 | |
| 229 | I | C | -1.1278 | |
| 230 | K | C | -1.9817 | |
| 231 | E | C | -2.5822 | |
| 232 | E | C | -1.8994 | |
| 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 | 0.3830 | |
| 243 | Y | C | 0.0000 | |
| 244 | G | C | 0.0071 | |
| 245 | V | C | 0.0570 | |
| 246 | I | C | -0.3765 | |
| 247 | D | C | -1.3881 | |
| 248 | T | C | 0.0000 | |
| 249 | P | C | -0.7414 | |
| 250 | C | C | 0.0000 | |
| 251 | W | C | -0.4821 | |
| 252 | K | C | 0.0000 | |
| 253 | L | C | 0.0000 | |
| 254 | H | C | -0.5684 | |
| 255 | T | C | 0.0000 | |
| 256 | S | C | -0.4978 | |
| 257 | P | C | -0.2155 | |
| 258 | L | C | 0.0000 | |
| 259 | C | C | 0.0000 | |
| 260 | T | C | 0.0000 | |
| 261 | T | C | -0.5004 | |
| 262 | N | C | 0.0000 | |
| 263 | T | C | -0.7415 | |
| 264 | K | C | -1.0879 | |
| 265 | E | C | -1.0001 | |
| 266 | G | C | -1.0350 | |
| 267 | S | C | -0.8984 | |
| 268 | N | C | 0.0000 | |
| 269 | I | C | 0.0000 | |
| 270 | C | C | 0.0000 | |
| 271 | L | C | 0.0000 | |
| 272 | T | C | -0.2650 | |
| 273 | R | C | 0.0000 | |
| 274 | T | C | -0.9674 | |
| 275 | D | C | -1.9237 | |
| 276 | R | C | 0.0000 | |
| 277 | G | C | 0.0000 | |
| 278 | W | C | 0.0000 | |
| 279 | Y | C | 0.0000 | |
| 280 | C | C | 0.0000 | |
| 281 | D | C | -0.9918 | |
| 282 | N | C | -0.5074 | |
| 283 | A | C | -0.4356 | |
| 284 | G | C | -0.7042 | |
| 285 | S | C | -0.6007 | |
| 286 | V | C | 0.0000 | |
| 287 | S | C | 0.0000 | |
| 288 | F | C | 0.0000 | |
| 289 | F | C | 0.0000 | |
| 290 | P | C | -1.2125 | |
| 291 | Q | C | -1.8125 | |
| 292 | A | C | -1.6193 | |
| 293 | E | C | -1.7850 | |
| 294 | T | C | -1.2833 | |
| 295 | C | C | 0.0000 | |
| 296 | K | C | -1.9674 | |
| 297 | V | C | 0.0000 | |
| 298 | Q | C | 0.0000 | |
| 299 | S | C | -0.7207 | |
| 300 | N | C | -1.3129 | |
| 301 | R | C | 0.0000 | |
| 302 | V | C | 0.0000 | |
| 303 | F | C | 0.0000 | |
| 304 | C | C | 0.0000 | |
| 305 | D | C | -0.7665 | |
| 306 | T | C | 0.0000 | |
| 307 | M | C | -0.2354 | |
| 308 | N | C | -1.1069 | |
| 309 | S | C | 0.0000 | |
| 310 | L | C | -0.1557 | |
| 311 | T | C | 0.0000 | |
| 312 | L | C | 0.0000 | |
| 313 | P | C | -0.6523 | |
| 314 | P | C | -0.5350 | |
| 315 | E | C | 0.0000 | |
| 316 | V | C | 0.0000 | |
| 317 | N | C | -0.3761 | |
| 318 | L | C | 0.7057 | |
| 319 | C | C | 0.0000 | |
| 320 | N | C | -0.4064 | |
| 321 | V | C | 0.0000 | |
| 322 | D | C | -0.5702 | |
| 323 | I | C | 0.0000 | |
| 324 | F | C | -0.2782 | |
| 325 | N | C | -1.3306 | |
| 326 | P | C | -1.5930 | |
| 327 | K | C | -2.3313 | |
| 328 | Y | C | -1.2709 | |
| 329 | D | C | 0.0000 | |
| 330 | C | C | 0.0000 | |
| 331 | K | C | -0.3556 | |
| 332 | I | C | 0.0000 | |
| 333 | M | C | 0.0000 | |
| 334 | T | C | 0.0000 | |
| 335 | S | C | 0.4961 | |
| 336 | K | C | 0.0000 | |
| 337 | T | C | 0.0000 | |
| 338 | D | C | 0.0000 | |
| 339 | V | C | 0.4287 | |
| 340 | S | C | -0.1070 | |
| 341 | S | C | -0.1652 | |
| 342 | S | C | 0.0000 | |
| 343 | V | C | 0.2748 | |
| 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 | -0.9863 | |
| 355 | G | C | -1.1028 | |
| 356 | K | C | -0.9562 | |
| 357 | T | C | -1.2038 | |
| 358 | K | C | -2.0637 | |
| 359 | C | C | 0.0000 | |
| 360 | T | C | 0.0992 | |
| 361 | A | C | 0.0000 | |
| 362 | S | C | -0.2591 | |
| 363 | N | C | -1.6253 | |
| 364 | K | C | -2.6824 | |
| 365 | N | C | -3.1738 | |
| 366 | R | C | -2.9193 | |
| 367 | G | C | -1.4269 | |
| 368 | I | C | 0.9041 | |
| 369 | I | C | 1.9258 | |
| 370 | K | C | 0.9200 | |
| 371 | T | C | 0.0329 | |
| 372 | F | C | -0.5361 | |
| 373 | S | C | -1.4356 | |
| 374 | N | C | -1.7619 | |
| 375 | G | C | -1.0303 | |
| 376 | C | C | 0.0000 | |
| 377 | D | C | -0.8697 | |
| 378 | Y | C | 0.0000 | |
| 379 | V | C | 0.0000 | |
| 380 | S | C | -1.3941 | |
| 381 | N | C | -2.1652 | |
| 382 | K | C | -3.2886 | |
| 383 | G | C | 0.0000 | |
| 384 | V | C | 0.0000 | |
| 385 | D | C | -1.7766 | |
| 386 | T | C | -0.4119 | |
| 387 | V | C | 0.0000 | |
| 388 | S | C | -0.3574 | |
| 389 | V | C | 0.0000 | |
| 390 | G | C | -0.6141 | |
| 391 | N | C | -0.2190 | |
| 392 | T | C | 0.0000 | |
| 393 | L | C | 0.1924 | |
| 394 | Y | C | 0.0000 | |
| 395 | Y | C | 0.0998 | |
| 396 | V | C | 0.0000 | |
| 397 | N | C | 0.0000 | |
| 398 | K | C | -2.8599 | |
| 399 | Q | C | -2.5590 | |
| 400 | E | C | -3.1773 | |
| 401 | G | C | -2.8717 | |
| 402 | K | C | -2.7277 | |
| 403 | S | C | -0.9297 | |
| 404 | L | C | 0.7305 | |
| 405 | Y | C | 0.6007 | |
| 406 | V | C | -0.1939 | |
| 407 | K | C | -1.6838 | |
| 408 | G | C | -1.3915 | |
| 409 | E | C | -1.2686 | |
| 410 | P | C | -0.7365 | |
| 411 | I | C | 0.0000 | |
| 412 | I | C | -0.2864 | |
| 413 | N | C | -0.8746 | |
| 414 | F | C | 0.1715 | |
| 415 | Y | C | 0.0000 | |
| 416 | D | C | -0.5929 | |
| 417 | P | C | -0.1723 | |
| 418 | L | C | 0.0000 | |
| 419 | V | C | 0.5696 | |
| 420 | F | C | 0.0000 | |
| 421 | P | C | 0.1758 | |
| 422 | S | C | 0.0000 | |
| 423 | D | C | 0.0000 | |
| 424 | L | C | 0.0000 | mutated: EL424C |
| 425 | F | C | 1.0006 | |
| 426 | D | C | 0.0730 | |
| 427 | T | C | 0.0000 | mutated: AT427C |
| 428 | S | C | 0.0000 | |
| 429 | I | C | 0.0000 | |
| 430 | S | C | 0.0000 | |
| 431 | Q | C | 0.0000 | |
| 432 | L | C | 0.0000 | mutated: VL432C |
| 433 | N | C | -0.6529 | |
| 434 | E | C | -0.5785 | |
| 435 | K | C | 0.0000 | |
| 436 | I | C | 0.0469 | |
| 437 | N | C | -0.4959 | |
| 438 | Q | C | -0.0365 | |
| 439 | S | C | 0.5946 | |
| 440 | L | C | 0.9470 | |
| 441 | A | C | -0.2340 | |
| 442 | W | C | 0.0786 | |
| 443 | I | C | 0.0096 | |
| 444 | R | C | -1.9370 | |
| 445 | K | C | -1.8706 | |
| 446 | F | C | 0.0000 | |
| 447 | D | C | -2.5759 | |
| 448 | E | C | -2.7039 | |
| 449 | L | C | -0.7986 | |
| 450 | L | C | -0.8552 | |
| 451 | H | C | -1.3496 |
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, -0.5081 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 | -0.5081 | View | CSV | PDB |
| model_7 | -0.5147 | View | CSV | PDB |
| model_11 | -0.5176 | View | CSV | PDB |
| model_0 | -0.521 | View | CSV | PDB |
| model_2 | -0.5248 | View | CSV | PDB |
| model_6 | -0.5296 | View | CSV | PDB |
| model_1 | -0.5322 | View | CSV | PDB |
| CABS_average | -0.5354 | View | CSV | PDB |
| model_4 | -0.5375 | View | CSV | PDB |
| model_9 | -0.5468 | View | CSV | PDB |
| model_8 | -0.5566 | View | CSV | PDB |
| model_5 | -0.5587 | View | CSV | PDB |
| model_10 | -0.5777 | View | CSV | PDB |
| input | -0.6376 | 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