Project name: RSV_487L490T495L_86F227L230F_189V190I191I [mutate: YF61A, NL164A, LF167A, TV126A, SI127A, KI128A, EL424A, AT427A, VL432A, YF61C, AT427C, NL164C, LF167C, EL424C, VL432C, TV126C, SI127C, KI128C, YF61B, NL164B, LF167B, TV126B, SI127B, KI128B, EL424B, AT427B, VL432B]
Status: done
Started: 2025-12-11 15:51:54
| 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,AT427B,VL432A,SI127B,TV126B,KI128B,AT427C,EL424C,NL164B,LF167B,YF61C,KI128A,LF167A,VL432B,TV126A,SI127A,NL164A,YF61B,LF167C,NL164C,YF61A,KI128C,EL424A,AT427A,VL432C,TV126C,SI127C |
| Energy difference between WT (input) and mutated protein (by FoldX) | -20.4499 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 (00:48:20)
[INFO] CABS: Running CABS flex simulation (01:13:12)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (10:40:32)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (10:41:07)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (10:41:39)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (10:42:07)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (10:42:35)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (10:43:03)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (10:43:31)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (10:43:59)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (10:44:27)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (10:44:57)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (10:45:25)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (10:45:53)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (10:46:22)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (10:47:23)
[INFO] Main: Simulation completed successfully. (10:47:51)
|
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
- -3.7616
- Maximal score value
- 2.2834
- Average score
- -0.5085
- Total score value
- -687.9964
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 | -1.1786 | |
| 2 | N | A | 0.0000 | |
| 3 | I | A | -0.0344 | |
| 4 | T | A | -0.4487 | |
| 5 | E | A | 0.0000 | |
| 6 | E | A | 0.0567 | |
| 7 | F | A | 0.0000 | |
| 8 | Y | A | 0.0000 | |
| 9 | Q | A | 0.0000 | |
| 10 | S | A | 0.0000 | |
| 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 | -0.3518 | |
| 18 | G | A | -0.0395 | |
| 19 | Y | A | 0.0000 | |
| 20 | L | A | 0.2116 | |
| 21 | S | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | R | A | 0.0000 | |
| 25 | T | A | 0.0990 | |
| 26 | G | A | 0.1238 | |
| 27 | W | A | 0.0000 | |
| 28 | Y | A | 0.1439 | |
| 29 | T | A | 0.0712 | |
| 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 | -1.5386 | |
| 36 | L | A | 0.0000 | |
| 37 | S | A | -2.0020 | |
| 38 | N | A | -2.0970 | |
| 39 | I | A | 0.0000 | |
| 40 | K | A | -2.4735 | |
| 41 | E | A | -2.1757 | |
| 42 | P | A | -2.3553 | |
| 43 | K | A | -2.7483 | |
| 44 | C | A | 0.0000 | |
| 45 | N | A | -2.8467 | |
| 46 | G | A | -2.4080 | |
| 47 | T | A | -1.7814 | |
| 48 | D | A | -2.6012 | |
| 49 | A | A | -1.4349 | |
| 50 | K | A | -1.2317 | |
| 51 | V | A | 0.0000 | |
| 52 | K | A | -2.1436 | |
| 53 | L | A | 0.0000 | |
| 54 | I | A | 0.0000 | |
| 55 | K | A | -1.8876 | |
| 56 | Q | A | -1.0403 | |
| 57 | E | A | 0.0000 | |
| 58 | L | A | 0.0000 | |
| 59 | D | A | -1.7964 | |
| 60 | K | A | -1.1365 | |
| 61 | F | A | 0.0000 | mutated: YF61A |
| 62 | K | A | -2.0951 | |
| 63 | N | A | -1.1870 | |
| 64 | A | A | 0.0000 | |
| 65 | V | A | 0.0000 | |
| 66 | T | A | -0.7886 | |
| 67 | E | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | Q | A | -1.3624 | |
| 70 | L | A | -0.1691 | |
| 71 | L | A | 0.0000 | |
| 72 | M | A | 0.0000 | |
| 73 | Q | A | -1.2975 | |
| 74 | S | A | -0.8286 | |
| 75 | T | A | -0.4373 | |
| 76 | P | A | -0.4366 | |
| 77 | A | A | -0.6321 | |
| 78 | A | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | G | A | -0.7670 | |
| 81 | G | A | -0.9043 | |
| 82 | G | A | -0.4720 | |
| 83 | S | A | 0.0000 | |
| 84 | A | A | 0.0806 | |
| 85 | I | A | 0.3189 | |
| 86 | A | A | 0.0000 | |
| 87 | S | A | -0.0343 | |
| 88 | G | A | 0.0000 | |
| 89 | I | A | 0.0000 | |
| 90 | A | A | -0.2745 | |
| 91 | V | A | 0.0000 | |
| 92 | S | A | -0.2387 | |
| 93 | K | A | -0.7180 | |
| 94 | C | A | 0.0000 | |
| 95 | L | A | 0.0000 | |
| 96 | H | A | -1.2289 | |
| 97 | L | A | -0.5694 | |
| 98 | E | A | -2.1355 | |
| 99 | G | A | -1.8035 | |
| 100 | E | A | 0.0000 | |
| 101 | V | A | 0.0000 | |
| 102 | N | A | -2.7967 | |
| 103 | K | A | -2.3815 | |
| 104 | I | A | 0.0000 | |
| 105 | K | A | -2.2023 | |
| 106 | S | A | -1.2703 | |
| 107 | A | A | -0.3148 | |
| 108 | L | A | 0.0190 | |
| 109 | L | A | 0.7127 | |
| 110 | S | A | -0.1067 | |
| 111 | T | A | -0.2393 | |
| 112 | N | A | -0.3165 | |
| 113 | K | A | -0.0485 | |
| 114 | A | A | 0.8134 | |
| 115 | V | A | 1.6730 | |
| 116 | V | A | 0.0000 | |
| 117 | S | A | -0.0247 | |
| 118 | L | A | 0.0000 | |
| 119 | S | A | -0.5440 | |
| 120 | C | A | -0.5304 | |
| 121 | G | A | -1.2623 | |
| 122 | V | A | -0.6356 | |
| 123 | S | A | 0.0139 | |
| 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 | -0.1577 | |
| 130 | L | A | 0.0000 | |
| 131 | D | A | -0.8314 | |
| 132 | L | A | 0.0000 | |
| 133 | K | A | -2.2260 | |
| 134 | N | A | -2.2461 | |
| 135 | Y | A | -1.2884 | |
| 136 | I | A | 0.0000 | |
| 137 | D | A | -2.8817 | |
| 138 | K | A | -2.7202 | |
| 139 | Q | A | -1.5568 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | -1.4832 | |
| 142 | P | A | -1.3267 | |
| 143 | I | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | N | A | -2.2554 | |
| 146 | K | A | -2.8302 | |
| 147 | Q | A | -3.2840 | |
| 148 | S | A | -1.9705 | |
| 149 | C | A | 0.0000 | |
| 150 | S | A | -0.5701 | |
| 151 | I | A | -0.1340 | |
| 152 | P | A | -0.2667 | |
| 153 | N | A | -0.4842 | |
| 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 | -0.4748 | |
| 160 | F | A | 0.0000 | |
| 161 | Q | A | 0.0000 | |
| 162 | Q | A | -0.5569 | |
| 163 | K | A | 0.0000 | |
| 164 | L | A | 0.0000 | mutated: NL164A |
| 165 | N | A | -0.7386 | |
| 166 | R | A | -0.5397 | |
| 167 | F | A | 0.0000 | mutated: LF167A |
| 168 | L | A | -0.3635 | |
| 169 | E | A | 0.0000 | |
| 170 | I | A | 0.0000 | |
| 171 | T | A | 0.0000 | |
| 172 | R | A | -0.0982 | |
| 173 | E | A | 0.0000 | |
| 174 | F | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | V | A | 0.4553 | |
| 177 | N | A | 0.0520 | |
| 178 | A | A | 0.0000 | |
| 179 | G | A | 0.0000 | |
| 180 | V | A | 0.2908 | |
| 181 | T | A | 0.0000 | |
| 182 | T | A | 0.0224 | |
| 183 | P | A | -0.1319 | |
| 184 | V | A | 0.0000 | |
| 185 | S | A | 0.0000 | |
| 186 | T | A | 0.0000 | |
| 187 | Y | A | -0.0752 | |
| 188 | M | A | 0.0000 | |
| 189 | L | A | 0.0000 | |
| 190 | T | A | -0.1433 | |
| 191 | N | A | -0.2297 | |
| 192 | S | A | -0.3125 | |
| 193 | E | A | -0.4114 | |
| 194 | L | A | 0.0000 | |
| 195 | L | A | -0.3570 | |
| 196 | S | A | -0.6706 | |
| 197 | L | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | N | A | -1.8022 | |
| 200 | D | A | -2.4199 | |
| 201 | M | A | 0.0000 | |
| 202 | P | A | -0.9453 | |
| 203 | I | A | 0.0000 | |
| 204 | T | A | -1.6983 | |
| 205 | N | A | -3.1706 | |
| 206 | D | A | -3.2838 | |
| 207 | Q | A | 0.0000 | |
| 208 | K | A | -2.7960 | |
| 209 | K | A | -3.1595 | |
| 210 | L | A | 0.0000 | |
| 211 | M | A | 0.0000 | |
| 212 | S | A | 0.0000 | |
| 213 | N | A | -0.9341 | |
| 214 | N | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | P | A | 0.0000 | |
| 217 | I | A | -0.0490 | |
| 218 | V | A | 0.0000 | |
| 219 | R | A | 0.0000 | |
| 220 | Q | A | -0.5117 | |
| 221 | Q | A | -0.2780 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | 0.2144 | |
| 224 | S | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | M | A | 0.0000 | |
| 227 | S | A | 0.0000 | |
| 228 | I | A | -0.7679 | |
| 229 | I | A | -1.2470 | |
| 230 | K | A | -2.7918 | |
| 231 | E | A | -2.8557 | |
| 232 | E | A | -2.6022 | |
| 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 | 0.1511 | |
| 243 | Y | A | 0.0000 | |
| 244 | G | A | -0.0311 | |
| 245 | V | A | -0.0383 | |
| 246 | I | A | -0.3660 | |
| 247 | D | A | -1.5319 | |
| 248 | T | A | 0.0000 | |
| 249 | P | A | -0.4793 | |
| 250 | C | A | 0.0000 | |
| 251 | W | A | 0.0000 | |
| 252 | K | A | 0.0000 | |
| 253 | L | A | -0.5096 | |
| 254 | H | A | 0.0000 | |
| 255 | T | A | 0.0000 | |
| 256 | S | A | 0.0000 | |
| 257 | P | A | -0.1952 | |
| 258 | L | A | 0.0000 | |
| 259 | C | A | -0.2726 | |
| 260 | T | A | -0.8883 | |
| 261 | T | A | -1.2117 | |
| 262 | N | A | -1.7527 | |
| 263 | T | A | -1.4334 | |
| 264 | K | A | 0.0000 | |
| 265 | E | A | -2.3419 | |
| 266 | G | A | -1.6682 | |
| 267 | S | A | -1.4595 | |
| 268 | N | A | 0.0000 | |
| 269 | I | A | 0.0000 | |
| 270 | C | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | T | A | 0.0000 | |
| 273 | R | A | -0.7701 | |
| 274 | T | A | -1.1645 | |
| 275 | D | A | -2.2634 | |
| 276 | R | A | -1.7765 | |
| 277 | G | A | 0.0000 | |
| 278 | W | A | 0.0000 | |
| 279 | Y | A | 0.0000 | |
| 280 | C | A | 0.0000 | |
| 281 | D | A | -0.5349 | |
| 282 | N | A | -0.8562 | |
| 283 | A | A | -0.6459 | |
| 284 | G | A | -0.7050 | |
| 285 | S | A | -0.6662 | |
| 286 | V | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | F | A | -0.0412 | |
| 289 | F | A | 0.0000 | |
| 290 | P | A | -1.4072 | |
| 291 | Q | A | -2.0646 | |
| 292 | A | A | -1.6967 | |
| 293 | E | A | -1.6544 | |
| 294 | T | A | -1.0790 | |
| 295 | C | A | 0.0000 | |
| 296 | K | A | -0.3441 | |
| 297 | V | A | -0.1522 | |
| 298 | Q | A | -0.4578 | |
| 299 | S | A | 0.0000 | |
| 300 | N | A | -0.6774 | |
| 301 | R | A | -0.4922 | |
| 302 | V | A | 0.0000 | |
| 303 | F | A | 0.0000 | |
| 304 | C | A | 0.0000 | |
| 305 | D | A | 0.0000 | |
| 306 | T | A | 0.0000 | |
| 307 | M | A | -0.4307 | |
| 308 | N | A | -1.2949 | |
| 309 | S | A | 0.0000 | |
| 310 | L | A | 0.0327 | |
| 311 | T | A | 0.0000 | |
| 312 | L | A | -0.3213 | |
| 313 | P | A | -0.6625 | |
| 314 | P | A | -0.7733 | |
| 315 | E | A | -1.2432 | |
| 316 | V | A | 0.0000 | |
| 317 | N | A | -0.4619 | |
| 318 | L | A | 0.0702 | |
| 319 | C | A | 0.0000 | |
| 320 | N | A | 0.1742 | |
| 321 | V | A | 0.9878 | |
| 322 | D | A | -0.0087 | |
| 323 | I | A | 2.0546 | |
| 324 | F | A | 1.6436 | |
| 325 | N | A | 0.0000 | |
| 326 | P | A | -1.1584 | |
| 327 | K | A | -2.5284 | |
| 328 | Y | A | 0.0000 | |
| 329 | D | A | 0.0000 | |
| 330 | C | A | -0.1945 | |
| 331 | K | A | -0.1337 | |
| 332 | I | A | 0.0000 | |
| 333 | M | A | 0.4043 | |
| 334 | T | A | 0.0000 | |
| 335 | S | A | 0.1376 | |
| 336 | K | A | 0.0000 | |
| 337 | T | A | 0.0000 | |
| 338 | D | A | -0.1991 | |
| 339 | V | A | 0.3440 | |
| 340 | S | A | 0.0000 | |
| 341 | S | A | -0.0875 | |
| 342 | S | A | 0.0000 | |
| 343 | V | A | 0.3449 | |
| 344 | I | A | 0.3357 | |
| 345 | T | A | 0.0000 | |
| 346 | S | A | 0.0000 | |
| 347 | L | A | -0.8135 | |
| 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 | -1.5898 | |
| 356 | K | A | -1.6208 | |
| 357 | T | A | -1.5735 | |
| 358 | K | A | -2.2751 | |
| 359 | C | A | 0.0000 | |
| 360 | T | A | -0.3143 | |
| 361 | A | A | 0.0000 | |
| 362 | S | A | -0.0582 | |
| 363 | N | A | -1.2079 | |
| 364 | K | A | -2.0816 | |
| 365 | N | A | -2.7291 | |
| 366 | R | A | -2.3731 | |
| 367 | G | A | -0.7721 | |
| 368 | I | A | 1.2169 | |
| 369 | I | A | 1.5937 | |
| 370 | K | A | -0.3427 | |
| 371 | T | A | -0.4670 | |
| 372 | F | A | -0.7254 | |
| 373 | S | A | -1.2054 | |
| 374 | N | A | -0.8662 | |
| 375 | G | A | -0.6686 | |
| 376 | C | A | -0.3821 | |
| 377 | D | A | -0.5253 | |
| 378 | Y | A | 0.0000 | |
| 379 | V | A | 0.0000 | |
| 380 | S | A | 0.0000 | |
| 381 | N | A | -2.0390 | |
| 382 | K | A | -2.0971 | |
| 383 | G | A | -1.5320 | |
| 384 | V | A | 0.0000 | |
| 385 | D | A | -0.9228 | |
| 386 | T | A | -0.1494 | |
| 387 | V | A | 0.0000 | |
| 388 | S | A | -0.4055 | |
| 389 | V | A | 0.0000 | |
| 390 | G | A | -1.2233 | |
| 391 | N | A | -0.5150 | |
| 392 | T | A | 0.0000 | |
| 393 | L | A | 0.1924 | |
| 394 | Y | A | 0.3239 | |
| 395 | Y | A | 0.0000 | |
| 396 | V | A | 0.0000 | |
| 397 | N | A | 0.0000 | |
| 398 | K | A | -1.1731 | |
| 399 | Q | A | 0.0000 | |
| 400 | E | A | -1.1642 | |
| 401 | G | A | -1.3678 | |
| 402 | K | A | -1.7942 | |
| 403 | S | A | -0.7859 | |
| 404 | L | A | 0.7439 | |
| 405 | Y | A | 0.7695 | |
| 406 | V | A | -0.2860 | |
| 407 | K | A | -1.9212 | |
| 408 | G | A | -1.9135 | |
| 409 | E | A | -2.0545 | |
| 410 | P | A | -0.8974 | |
| 411 | I | A | -0.2852 | |
| 412 | I | A | -0.6927 | |
| 413 | N | A | -1.7144 | |
| 414 | F | A | -0.7333 | |
| 415 | Y | A | 0.0000 | |
| 416 | D | A | -2.1226 | |
| 417 | P | A | -1.0211 | |
| 418 | L | A | -0.4348 | |
| 419 | V | A | 0.0388 | |
| 420 | F | A | 0.0000 | |
| 421 | P | A | 0.1117 | |
| 422 | S | A | 0.0000 | |
| 423 | D | A | 0.0000 | |
| 424 | L | A | 0.0000 | mutated: EL424A |
| 425 | F | A | 1.5969 | |
| 426 | D | A | 0.0000 | |
| 427 | T | A | 0.0000 | mutated: AT427A |
| 428 | S | A | 0.0000 | |
| 429 | I | A | 0.0000 | |
| 430 | S | A | -1.2138 | |
| 431 | Q | A | 0.0000 | |
| 432 | L | A | 0.0000 | mutated: VL432A |
| 433 | N | A | -1.7757 | |
| 434 | E | A | -1.8813 | |
| 435 | K | A | 0.0000 | |
| 436 | I | A | -0.7736 | |
| 437 | N | A | -1.8026 | |
| 438 | Q | A | -1.0711 | |
| 439 | S | A | -0.4248 | |
| 440 | L | A | -0.2566 | |
| 441 | A | A | -1.1144 | |
| 442 | W | A | 0.0000 | |
| 443 | I | A | -0.5997 | |
| 444 | R | A | -2.5110 | |
| 445 | K | A | -1.7058 | |
| 446 | F | A | 0.0000 | |
| 447 | D | A | -2.7313 | |
| 448 | E | A | -2.2313 | |
| 449 | L | A | -0.8898 | |
| 450 | L | A | -0.3399 | |
| 451 | H | A | -1.3540 | |
| 1 | Q | B | -2.5440 | |
| 2 | N | B | -2.9576 | |
| 3 | I | B | 0.0000 | |
| 4 | T | B | -1.5595 | |
| 5 | E | B | 0.0000 | |
| 6 | E | B | -0.2455 | |
| 7 | F | B | 0.0000 | |
| 8 | Y | B | 0.1588 | |
| 9 | Q | B | 0.0000 | |
| 10 | S | B | 0.0000 | |
| 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 | -1.0827 | |
| 18 | G | B | -0.9547 | |
| 19 | Y | B | 0.0000 | |
| 20 | L | B | 0.1095 | |
| 21 | S | B | 0.0000 | |
| 22 | A | B | 0.0000 | |
| 23 | L | B | 0.0000 | |
| 24 | R | B | 0.0000 | |
| 25 | T | B | 0.1693 | |
| 26 | G | B | 0.2212 | |
| 27 | W | B | 0.3635 | |
| 28 | Y | B | 0.3509 | |
| 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 | 0.0000 | |
| 36 | L | B | 0.0000 | |
| 37 | S | B | -1.9491 | |
| 38 | N | B | 0.0000 | |
| 39 | I | B | 0.0000 | |
| 40 | K | B | -2.5952 | |
| 41 | E | B | -2.1029 | |
| 42 | P | B | -2.3615 | |
| 43 | K | B | -2.8830 | |
| 44 | C | B | 0.0000 | |
| 45 | N | B | -2.3528 | |
| 46 | G | B | -1.9630 | |
| 47 | T | B | -1.1584 | |
| 48 | D | B | -1.2550 | |
| 49 | A | B | -1.0625 | |
| 50 | K | B | -0.8545 | |
| 51 | V | B | 0.0000 | |
| 52 | K | B | -1.7983 | |
| 53 | L | B | 0.0000 | |
| 54 | I | B | 0.0000 | |
| 55 | K | B | -1.8897 | |
| 56 | Q | B | -1.4467 | |
| 57 | E | B | 0.0000 | |
| 58 | L | B | 0.0000 | |
| 59 | D | B | -2.4506 | |
| 60 | K | B | -1.4063 | |
| 61 | F | B | 0.0000 | mutated: YF61B |
| 62 | K | B | -1.5790 | |
| 63 | N | B | -0.9668 | |
| 64 | A | B | 0.0000 | |
| 65 | V | B | -1.2452 | |
| 66 | T | B | -0.5721 | |
| 67 | E | B | 0.0000 | |
| 68 | L | B | 0.0000 | |
| 69 | Q | B | -1.2573 | |
| 70 | L | B | -0.3506 | |
| 71 | L | B | 0.0000 | |
| 72 | M | B | -0.6318 | |
| 73 | Q | B | -1.2881 | |
| 74 | S | B | 0.0000 | |
| 75 | T | B | -0.4663 | |
| 76 | P | B | -0.1649 | |
| 77 | A | B | -0.2971 | |
| 78 | A | B | -0.1566 | |
| 79 | G | B | -0.3887 | |
| 80 | G | B | -0.7087 | |
| 81 | G | B | -0.7943 | |
| 82 | G | B | -0.5333 | |
| 83 | S | B | 0.0000 | |
| 84 | A | B | 0.2533 | |
| 85 | I | B | 0.5605 | |
| 86 | A | B | 0.0000 | |
| 87 | S | B | 0.0000 | |
| 88 | G | B | 0.0000 | |
| 89 | I | B | 0.2239 | |
| 90 | A | B | 0.0000 | |
| 91 | V | B | 0.0000 | |
| 92 | S | B | -0.2230 | |
| 93 | K | B | -0.9299 | |
| 94 | C | B | 0.0000 | |
| 95 | L | B | 0.0000 | |
| 96 | H | B | -1.4356 | |
| 97 | L | B | -0.4514 | |
| 98 | E | B | -2.1345 | |
| 99 | G | B | -1.8089 | |
| 100 | E | B | -1.7561 | |
| 101 | V | B | -2.1249 | |
| 102 | N | B | -2.9165 | |
| 103 | K | B | -2.7356 | |
| 104 | I | B | 0.0000 | |
| 105 | K | B | -1.7520 | |
| 106 | S | B | -1.1998 | |
| 107 | A | B | -0.5106 | |
| 108 | L | B | -0.2164 | |
| 109 | L | B | 0.4080 | |
| 110 | S | B | -0.3700 | |
| 111 | T | B | -0.6408 | |
| 112 | N | B | -1.5311 | |
| 113 | K | B | -1.5088 | |
| 114 | A | B | 0.2040 | |
| 115 | V | B | 1.5258 | |
| 116 | V | B | 0.4801 | |
| 117 | S | B | -0.0296 | |
| 118 | L | B | 0.0000 | |
| 119 | S | B | -0.6534 | |
| 120 | C | B | 0.0000 | |
| 121 | G | B | -1.3326 | |
| 122 | V | B | 0.0000 | |
| 123 | S | B | 0.1572 | |
| 124 | V | B | 0.0000 | |
| 125 | L | B | 0.4792 | |
| 126 | V | B | 0.0000 | mutated: TV126B |
| 127 | I | B | 0.0000 | mutated: SI127B |
| 128 | I | B | 0.0000 | mutated: KI128B |
| 129 | V | B | 0.0000 | |
| 130 | L | B | -0.2103 | |
| 131 | D | B | -0.7704 | |
| 132 | L | B | 0.0000 | |
| 133 | K | B | -2.0065 | |
| 134 | N | B | -2.1982 | |
| 135 | Y | B | -1.5597 | |
| 136 | I | B | 0.0000 | |
| 137 | D | B | -2.6398 | |
| 138 | K | B | -2.7242 | |
| 139 | Q | B | -2.0080 | |
| 140 | L | B | 0.0000 | |
| 141 | L | B | -2.0769 | |
| 142 | P | B | -1.6141 | |
| 143 | I | B | 0.0000 | |
| 144 | V | B | 0.0000 | |
| 145 | N | B | -3.2663 | |
| 146 | K | B | -2.7994 | |
| 147 | Q | B | -2.9796 | |
| 148 | S | B | -1.7856 | |
| 149 | C | B | 0.0000 | |
| 150 | S | B | -0.2111 | |
| 151 | I | B | 1.0403 | |
| 152 | P | B | 0.0000 | |
| 153 | N | B | -0.0104 | |
| 154 | I | B | 0.0542 | |
| 155 | E | B | 0.0000 | |
| 156 | T | B | 0.0000 | |
| 157 | V | B | 0.0000 | |
| 158 | I | B | 0.0000 | |
| 159 | E | B | -0.5495 | |
| 160 | F | B | 0.0000 | |
| 161 | Q | B | -0.5123 | |
| 162 | Q | B | -0.5358 | |
| 163 | K | B | -0.4400 | |
| 164 | L | B | 0.0000 | mutated: NL164B |
| 165 | N | B | -0.5096 | |
| 166 | R | B | 0.0000 | |
| 167 | F | B | 0.0000 | mutated: LF167B |
| 168 | L | B | -0.2364 | |
| 169 | E | B | -0.3652 | |
| 170 | I | B | 0.0000 | |
| 171 | T | B | 0.0000 | |
| 172 | R | B | -0.2587 | |
| 173 | E | B | -0.3344 | |
| 174 | F | B | 0.0000 | |
| 175 | S | B | 0.0000 | |
| 176 | V | B | 0.3924 | |
| 177 | N | B | -0.1778 | |
| 178 | A | B | -0.0850 | |
| 179 | G | B | 0.0000 | |
| 180 | V | B | 0.2086 | |
| 181 | T | B | 0.0000 | |
| 182 | T | B | 0.0160 | |
| 183 | P | B | 0.0897 | |
| 184 | V | B | 0.0000 | |
| 185 | S | B | 0.0000 | |
| 186 | T | B | 0.0000 | |
| 187 | Y | B | 0.1050 | |
| 188 | M | B | 0.0000 | |
| 189 | L | B | 0.0000 | |
| 190 | T | B | 0.0338 | |
| 191 | N | B | 0.0000 | |
| 192 | S | B | -0.0430 | |
| 193 | E | B | -0.4431 | |
| 194 | L | B | 0.0000 | |
| 195 | L | B | 0.0434 | |
| 196 | S | B | -0.6140 | |
| 197 | L | B | 0.0000 | |
| 198 | I | B | 0.0000 | |
| 199 | N | B | -2.1808 | |
| 200 | D | B | -1.2245 | |
| 201 | M | B | 0.0000 | |
| 202 | P | B | -0.7414 | |
| 203 | I | B | -0.7538 | |
| 204 | T | B | -1.3571 | |
| 205 | N | B | -2.4392 | |
| 206 | D | B | -3.0760 | |
| 207 | Q | B | -2.3527 | |
| 208 | K | B | -2.3058 | |
| 209 | K | B | -2.9209 | |
| 210 | L | B | -1.5007 | |
| 211 | M | B | 0.0000 | |
| 212 | S | B | -0.9944 | |
| 213 | N | B | -1.1398 | |
| 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 | -0.2203 | |
| 221 | Q | B | -0.3159 | |
| 222 | S | B | 0.0000 | |
| 223 | Y | B | 0.3765 | |
| 224 | S | B | 0.0000 | |
| 225 | I | B | 0.0000 | |
| 226 | M | B | 0.0000 | |
| 227 | S | B | 0.0000 | |
| 228 | I | B | 0.0000 | |
| 229 | I | B | 0.0000 | |
| 230 | K | B | -3.1983 | |
| 231 | E | B | -3.2554 | |
| 232 | E | B | -2.7569 | |
| 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 | 0.2667 | |
| 243 | Y | B | 0.0000 | |
| 244 | G | B | -0.0202 | |
| 245 | V | B | -0.0450 | |
| 246 | I | B | -0.4641 | |
| 247 | D | B | -1.5981 | |
| 248 | T | B | -0.7810 | |
| 249 | P | B | -0.6216 | |
| 250 | C | B | 0.0000 | |
| 251 | W | B | -0.2408 | |
| 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 | -0.0671 | |
| 258 | L | B | 0.0000 | |
| 259 | C | B | 0.0541 | |
| 260 | T | B | -0.0052 | |
| 261 | T | B | -0.9367 | |
| 262 | N | B | -1.6901 | |
| 263 | T | B | 0.0000 | |
| 264 | K | B | -2.5639 | |
| 265 | E | B | -3.0480 | |
| 266 | G | B | 0.0000 | |
| 267 | S | B | 0.0000 | |
| 268 | N | B | 0.0000 | |
| 269 | I | B | 0.0000 | |
| 270 | C | B | 0.0000 | |
| 271 | L | B | 0.0000 | |
| 272 | T | B | 0.0105 | |
| 273 | R | B | 0.0000 | |
| 274 | T | B | -0.3683 | |
| 275 | D | B | -0.8238 | |
| 276 | R | B | -1.3062 | |
| 277 | G | B | 0.0000 | |
| 278 | W | B | 0.0000 | |
| 279 | Y | B | 0.0000 | |
| 280 | C | B | 0.0000 | |
| 281 | D | B | -0.8110 | |
| 282 | N | B | -0.7400 | |
| 283 | A | B | -0.4454 | |
| 284 | G | B | -0.6289 | |
| 285 | S | B | -0.5643 | |
| 286 | V | B | 0.0000 | |
| 287 | S | B | 0.0000 | |
| 288 | F | B | -0.2456 | |
| 289 | F | B | 0.0000 | |
| 290 | P | B | -1.3498 | |
| 291 | Q | B | -2.1097 | |
| 292 | A | B | -1.8322 | |
| 293 | E | B | -2.4497 | |
| 294 | T | B | -1.5726 | |
| 295 | C | B | 0.0000 | |
| 296 | K | B | -0.8796 | |
| 297 | V | B | -0.1869 | |
| 298 | Q | B | -0.6107 | |
| 299 | S | B | -0.9034 | |
| 300 | N | B | -0.8667 | |
| 301 | R | B | 0.0000 | |
| 302 | V | B | 0.0000 | |
| 303 | F | B | 0.0000 | |
| 304 | C | B | 0.0000 | |
| 305 | D | B | -0.6791 | |
| 306 | T | B | 0.0000 | |
| 307 | M | B | -0.3171 | |
| 308 | N | B | -1.1689 | |
| 309 | S | B | -0.4439 | |
| 310 | L | B | 0.0756 | |
| 311 | T | B | 0.0000 | |
| 312 | L | B | 0.0000 | |
| 313 | P | B | -0.2587 | |
| 314 | P | B | -0.2778 | |
| 315 | E | B | -0.1372 | |
| 316 | V | B | 0.0000 | |
| 317 | N | B | -0.0132 | |
| 318 | L | B | 0.9361 | |
| 319 | C | B | 0.4721 | |
| 320 | N | B | 0.1883 | |
| 321 | V | B | 1.4865 | |
| 322 | D | B | 0.2680 | |
| 323 | I | B | 2.2834 | |
| 324 | F | B | 2.1605 | |
| 325 | N | B | -0.3173 | |
| 326 | P | B | -0.6095 | |
| 327 | K | B | -0.5009 | |
| 328 | Y | B | 0.5543 | |
| 329 | D | B | 0.0000 | |
| 330 | C | B | 0.0284 | |
| 331 | K | B | -0.2960 | |
| 332 | I | B | 0.0000 | |
| 333 | M | B | 0.0000 | |
| 334 | T | B | 0.0000 | |
| 335 | S | B | 0.2191 | |
| 336 | K | B | 0.0000 | |
| 337 | T | B | -0.0481 | |
| 338 | D | B | 0.0000 | |
| 339 | V | B | 0.0000 | |
| 340 | S | B | 0.0000 | |
| 341 | S | B | -0.3682 | |
| 342 | S | B | 0.0000 | |
| 343 | V | B | -0.1187 | |
| 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 | -1.5629 | |
| 356 | K | B | -1.8164 | |
| 357 | T | B | -1.4759 | |
| 358 | K | B | -2.1669 | |
| 359 | C | B | 0.0000 | |
| 360 | T | B | -0.1993 | |
| 361 | A | B | 0.0000 | |
| 362 | S | B | 0.0550 | |
| 363 | N | B | -1.1459 | |
| 364 | K | B | -1.7228 | |
| 365 | N | B | -1.9785 | |
| 366 | R | B | -2.3404 | |
| 367 | G | B | -0.6783 | |
| 368 | I | B | 1.5536 | |
| 369 | I | B | 1.8959 | |
| 370 | K | B | -0.3070 | |
| 371 | T | B | -0.4811 | |
| 372 | F | B | -0.6812 | |
| 373 | S | B | -1.1880 | |
| 374 | N | B | -1.3942 | |
| 375 | G | B | -1.1616 | |
| 376 | C | B | 0.0000 | |
| 377 | D | B | -0.7719 | |
| 378 | Y | B | 0.0000 | |
| 379 | V | B | 0.0000 | |
| 380 | S | B | -1.2823 | |
| 381 | N | B | -2.4791 | |
| 382 | K | B | -3.1453 | |
| 383 | G | B | -1.5271 | |
| 384 | V | B | 0.0000 | |
| 385 | D | B | -1.3593 | |
| 386 | T | B | -0.3500 | |
| 387 | V | B | 0.0000 | |
| 388 | S | B | -0.1605 | |
| 389 | V | B | 0.0000 | |
| 390 | G | B | -0.9006 | |
| 391 | N | B | -0.5644 | |
| 392 | T | B | 0.0000 | |
| 393 | L | B | 0.0326 | |
| 394 | Y | B | 0.0000 | |
| 395 | Y | B | 0.0000 | |
| 396 | V | B | 0.0000 | |
| 397 | N | B | 0.0000 | |
| 398 | K | B | -1.6848 | |
| 399 | Q | B | 0.0000 | |
| 400 | E | B | -3.4209 | |
| 401 | G | B | -2.9640 | |
| 402 | K | B | -2.6920 | |
| 403 | S | B | -0.8579 | |
| 404 | L | B | 1.1087 | |
| 405 | Y | B | 1.0136 | |
| 406 | V | B | 0.6683 | |
| 407 | K | B | -1.3615 | |
| 408 | G | B | -1.3145 | |
| 409 | E | B | -1.7265 | |
| 410 | P | B | -0.2209 | |
| 411 | I | B | 1.7368 | |
| 412 | I | B | 1.3247 | |
| 413 | N | B | 0.2298 | |
| 414 | F | B | 0.0000 | |
| 415 | Y | B | 0.0000 | |
| 416 | D | B | -1.0294 | |
| 417 | P | B | -0.1059 | |
| 418 | L | B | 0.7813 | |
| 419 | V | B | 0.0000 | |
| 420 | F | B | 0.4029 | |
| 421 | P | B | 0.0000 | |
| 422 | S | B | 0.0000 | |
| 423 | D | B | 0.0000 | |
| 424 | L | B | 0.0000 | mutated: EL424B |
| 425 | F | B | 0.5112 | |
| 426 | D | B | -0.1779 | |
| 427 | T | B | 0.0000 | mutated: AT427B |
| 428 | S | B | 0.0000 | |
| 429 | I | B | 0.1729 | |
| 430 | S | B | 0.0000 | |
| 431 | Q | B | 0.0000 | |
| 432 | L | B | 0.0000 | mutated: VL432B |
| 433 | N | B | -1.2338 | |
| 434 | E | B | -1.6177 | |
| 435 | K | B | 0.0000 | |
| 436 | I | B | -0.1030 | |
| 437 | N | B | -0.8185 | |
| 438 | Q | B | -0.4489 | |
| 439 | S | B | 0.0000 | |
| 440 | L | B | 0.7853 | |
| 441 | A | B | -0.3853 | |
| 442 | W | B | 0.0000 | |
| 443 | I | B | -0.8056 | |
| 444 | R | B | -2.3357 | |
| 445 | K | B | -1.8026 | |
| 446 | F | B | -1.5942 | |
| 447 | D | B | -3.0494 | |
| 448 | E | B | -3.0033 | |
| 449 | L | B | -0.7174 | |
| 450 | L | B | -0.9162 | |
| 451 | H | B | -1.5441 | |
| 1 | Q | C | -2.4076 | |
| 2 | N | C | -2.7921 | |
| 3 | I | C | 0.0000 | |
| 4 | T | C | -1.5716 | |
| 5 | E | C | 0.0000 | |
| 6 | E | C | -0.6408 | |
| 7 | F | C | 0.0000 | |
| 8 | Y | C | 0.0000 | |
| 9 | Q | C | -1.2810 | |
| 10 | S | C | 0.0000 | |
| 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 | -1.7909 | |
| 18 | G | C | -1.0293 | |
| 19 | Y | C | 0.0000 | |
| 20 | L | C | 0.5049 | |
| 21 | S | C | 0.0000 | |
| 22 | A | C | 0.0000 | |
| 23 | L | C | 0.0000 | |
| 24 | R | C | 0.0000 | |
| 25 | T | C | 0.2449 | |
| 26 | G | C | 0.3717 | |
| 27 | W | C | 0.7130 | |
| 28 | Y | C | 1.0831 | |
| 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 | 0.0000 | |
| 36 | L | C | 0.0000 | |
| 37 | S | C | 0.0000 | |
| 38 | N | C | -2.2283 | |
| 39 | I | C | 0.0000 | |
| 40 | K | C | -3.3096 | |
| 41 | E | C | -3.7616 | |
| 42 | P | C | -2.7851 | |
| 43 | K | C | -3.0312 | |
| 44 | C | C | -2.5728 | |
| 45 | N | C | -2.7563 | |
| 46 | G | C | -1.5814 | |
| 47 | T | C | -1.0075 | |
| 48 | D | C | -1.0148 | |
| 49 | A | C | -0.8455 | |
| 50 | K | C | -1.0112 | |
| 51 | V | C | 0.0000 | |
| 52 | K | C | -1.4672 | |
| 53 | L | C | 0.0000 | |
| 54 | I | C | 0.0000 | |
| 55 | K | C | -2.3742 | |
| 56 | Q | C | -1.5032 | |
| 57 | E | C | 0.0000 | |
| 58 | L | C | 0.0000 | |
| 59 | D | C | -2.7013 | |
| 60 | K | C | -1.4689 | |
| 61 | F | C | 0.0000 | mutated: YF61C |
| 62 | K | C | -2.7281 | |
| 63 | N | C | -1.7444 | |
| 64 | A | C | 0.0000 | |
| 65 | V | C | 0.0000 | |
| 66 | T | C | -0.9568 | |
| 67 | E | C | 0.0000 | |
| 68 | L | C | 0.0000 | |
| 69 | Q | C | -1.2040 | |
| 70 | L | C | -0.6284 | |
| 71 | L | C | 0.0000 | |
| 72 | M | C | 0.0000 | |
| 73 | Q | C | -1.4608 | |
| 74 | S | C | -0.7115 | |
| 75 | T | C | 0.0000 | |
| 76 | P | C | -0.1524 | |
| 77 | A | C | -0.3564 | |
| 78 | A | C | 0.0000 | |
| 79 | G | C | 0.0000 | |
| 80 | G | C | 0.0000 | |
| 81 | G | C | -0.6875 | |
| 82 | G | C | -0.5546 | |
| 83 | S | C | -0.0238 | |
| 84 | A | C | 0.1371 | |
| 85 | I | C | 0.3058 | |
| 86 | A | C | 0.0000 | |
| 87 | S | C | 0.2376 | |
| 88 | G | C | 0.0000 | |
| 89 | I | C | 0.0000 | |
| 90 | A | C | -0.3196 | |
| 91 | V | C | 0.0000 | |
| 92 | S | C | 0.0000 | |
| 93 | K | C | -0.4648 | |
| 94 | C | C | 0.0000 | |
| 95 | L | C | 0.0000 | |
| 96 | H | C | -0.6873 | |
| 97 | L | C | 0.1184 | |
| 98 | E | C | -1.9663 | |
| 99 | G | C | -1.8512 | |
| 100 | E | C | 0.0000 | |
| 101 | V | C | 0.0000 | |
| 102 | N | C | -3.0766 | |
| 103 | K | C | -2.7589 | |
| 104 | I | C | 0.0000 | |
| 105 | K | C | -1.7527 | |
| 106 | S | C | -0.6386 | |
| 107 | A | C | -0.5704 | |
| 108 | L | C | 0.0000 | |
| 109 | L | C | 0.8082 | |
| 110 | S | C | -0.1906 | |
| 111 | T | C | 0.0000 | |
| 112 | N | C | -1.8042 | |
| 113 | K | C | -1.7528 | |
| 114 | A | C | -0.1252 | |
| 115 | V | C | 1.5379 | |
| 116 | V | C | 0.0000 | |
| 117 | S | C | 0.0048 | |
| 118 | L | C | -0.1465 | |
| 119 | S | C | -0.1526 | |
| 120 | C | C | -0.2802 | |
| 121 | G | C | -1.1262 | |
| 122 | V | C | 0.0000 | |
| 123 | S | C | 0.2329 | |
| 124 | V | C | 0.0000 | |
| 125 | L | C | 0.9423 | |
| 126 | V | C | 0.0000 | mutated: TV126C |
| 127 | I | C | 0.0000 | mutated: SI127C |
| 128 | I | C | -0.1685 | mutated: KI128C |
| 129 | V | C | 0.2374 | |
| 130 | L | C | 0.0000 | |
| 131 | D | C | -0.8983 | |
| 132 | L | C | 0.0000 | |
| 133 | K | C | -1.9644 | |
| 134 | N | C | -2.3763 | |
| 135 | Y | C | -1.6505 | |
| 136 | I | C | 0.0000 | |
| 137 | D | C | -3.1598 | |
| 138 | K | C | -3.0425 | |
| 139 | Q | C | -1.9764 | |
| 140 | L | C | 0.0000 | |
| 141 | L | C | -1.7052 | |
| 142 | P | C | -1.5226 | |
| 143 | I | C | -1.1164 | |
| 144 | V | C | 0.0000 | |
| 145 | N | C | -2.3426 | |
| 146 | K | C | -2.8396 | |
| 147 | Q | C | -2.6295 | |
| 148 | S | C | -1.1306 | |
| 149 | C | C | -0.0882 | |
| 150 | S | C | -0.3593 | |
| 151 | I | C | 0.0000 | |
| 152 | P | C | 0.0000 | |
| 153 | N | C | -0.8080 | |
| 154 | I | C | -0.3803 | |
| 155 | E | C | 0.0000 | |
| 156 | T | C | 0.0000 | |
| 157 | V | C | 0.0000 | |
| 158 | I | C | 0.0000 | |
| 159 | E | C | -0.4333 | |
| 160 | F | C | 0.0000 | |
| 161 | Q | C | -0.5704 | |
| 162 | Q | C | 0.0000 | |
| 163 | K | C | 0.0000 | |
| 164 | L | C | 0.0000 | mutated: NL164C |
| 165 | N | C | -1.3969 | |
| 166 | R | C | -0.9292 | |
| 167 | F | C | 0.0000 | mutated: LF167C |
| 168 | L | C | -0.7377 | |
| 169 | E | C | -0.8720 | |
| 170 | I | C | 0.0000 | |
| 171 | T | C | 0.0000 | |
| 172 | R | C | -0.6390 | |
| 173 | E | C | -0.5425 | |
| 174 | F | C | 0.0000 | |
| 175 | S | C | 0.0000 | |
| 176 | V | C | -0.1803 | |
| 177 | N | C | -0.3776 | |
| 178 | A | C | -0.1186 | |
| 179 | G | C | 0.0000 | |
| 180 | V | C | 0.1785 | |
| 181 | T | C | 0.0000 | |
| 182 | T | C | 0.1057 | |
| 183 | P | C | 0.0000 | |
| 184 | V | C | 0.0000 | |
| 185 | S | C | -0.0218 | |
| 186 | T | C | 0.0000 | |
| 187 | Y | C | 0.0075 | |
| 188 | M | C | 0.0000 | |
| 189 | L | C | 0.0000 | |
| 190 | T | C | -0.0058 | |
| 191 | N | C | 0.0000 | |
| 192 | S | C | -0.1938 | |
| 193 | E | C | -0.0425 | |
| 194 | L | C | 0.0000 | |
| 195 | L | C | -0.0768 | |
| 196 | S | C | -0.4540 | |
| 197 | L | C | -0.1950 | |
| 198 | I | C | 0.0000 | |
| 199 | N | C | -1.8337 | |
| 200 | D | C | -2.0478 | |
| 201 | M | C | -0.8912 | |
| 202 | P | C | -1.3922 | |
| 203 | I | C | -0.9147 | |
| 204 | T | C | -1.4817 | |
| 205 | N | C | -2.6993 | |
| 206 | D | C | -2.5583 | |
| 207 | Q | C | 0.0000 | |
| 208 | K | C | -2.3613 | |
| 209 | K | C | -2.7215 | |
| 210 | L | C | -1.2327 | |
| 211 | M | C | 0.0000 | |
| 212 | S | C | -0.8084 | |
| 213 | N | C | -1.0392 | |
| 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 | -0.1858 | |
| 221 | Q | C | -0.0137 | |
| 222 | S | C | 0.0000 | |
| 223 | Y | C | 0.3448 | |
| 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 | -2.0404 | |
| 231 | E | C | -2.5845 | |
| 232 | E | C | -1.5314 | |
| 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 | 0.6570 | |
| 243 | Y | C | 0.0000 | |
| 244 | G | C | 0.1714 | |
| 245 | V | C | 0.4114 | |
| 246 | I | C | 0.4176 | |
| 247 | D | C | -0.6273 | |
| 248 | T | C | -0.1461 | |
| 249 | P | C | -0.3250 | |
| 250 | C | C | 0.0000 | |
| 251 | W | C | -0.5994 | |
| 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 | -0.1297 | |
| 258 | L | C | 0.0000 | |
| 259 | C | C | 0.0000 | |
| 260 | T | C | -0.4237 | |
| 261 | T | C | -1.0487 | |
| 262 | N | C | -1.8567 | |
| 263 | T | C | -1.6943 | |
| 264 | K | C | -2.9401 | |
| 265 | E | C | -2.9352 | |
| 266 | G | C | 0.0000 | |
| 267 | S | C | -1.3751 | |
| 268 | N | C | 0.0000 | |
| 269 | I | C | 0.0000 | |
| 270 | C | C | 0.0000 | |
| 271 | L | C | 0.0000 | |
| 272 | T | C | 0.0000 | |
| 273 | R | C | 0.0000 | |
| 274 | T | C | 0.0000 | |
| 275 | D | C | -1.9014 | |
| 276 | R | C | -1.5844 | |
| 277 | G | C | 0.0000 | |
| 278 | W | C | 0.0000 | |
| 279 | Y | C | 0.0000 | |
| 280 | C | C | 0.0000 | |
| 281 | D | C | -0.6102 | |
| 282 | N | C | -0.5820 | |
| 283 | A | C | -0.4092 | |
| 284 | G | C | -0.7551 | |
| 285 | S | C | -0.7236 | |
| 286 | V | C | 0.0000 | |
| 287 | S | C | 0.0000 | |
| 288 | F | C | 0.0080 | |
| 289 | F | C | 0.0000 | |
| 290 | P | C | -1.1753 | |
| 291 | Q | C | -1.7381 | |
| 292 | A | C | -1.5527 | |
| 293 | E | C | -2.2685 | |
| 294 | T | C | 0.0000 | |
| 295 | C | C | 0.0000 | |
| 296 | K | C | -0.8219 | |
| 297 | V | C | -0.2188 | |
| 298 | Q | C | 0.0000 | |
| 299 | S | C | -0.6429 | |
| 300 | N | C | -0.7317 | |
| 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 | -0.0146 | |
| 308 | N | C | -0.8735 | |
| 309 | S | C | 0.0000 | |
| 310 | L | C | 0.2881 | |
| 311 | T | C | 0.0000 | |
| 312 | L | C | 0.0000 | |
| 313 | P | C | -0.6708 | |
| 314 | P | C | -0.4439 | |
| 315 | E | C | -0.0853 | |
| 316 | V | C | 0.0000 | |
| 317 | N | C | -0.3436 | |
| 318 | L | C | 0.8581 | |
| 319 | C | C | 0.0000 | |
| 320 | N | C | -1.1240 | |
| 321 | V | C | 0.0000 | |
| 322 | D | C | -0.8823 | |
| 323 | I | C | 0.0000 | |
| 324 | F | C | 0.0926 | |
| 325 | N | C | -1.2651 | |
| 326 | P | C | -0.9706 | |
| 327 | K | C | -1.9731 | |
| 328 | Y | C | -0.5337 | |
| 329 | D | C | 0.0000 | |
| 330 | C | C | -0.4425 | |
| 331 | K | C | -0.4602 | |
| 332 | I | C | 0.0000 | |
| 333 | M | C | -0.3526 | |
| 334 | T | C | 0.0000 | |
| 335 | S | C | -0.0857 | |
| 336 | K | C | 0.0000 | |
| 337 | T | C | -0.0471 | |
| 338 | D | C | 0.0000 | |
| 339 | V | C | 0.1045 | |
| 340 | S | C | 0.0000 | |
| 341 | S | C | -0.1040 | |
| 342 | S | C | 0.0000 | |
| 343 | V | C | 0.4877 | |
| 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 | -1.0525 | |
| 356 | K | C | -0.9375 | |
| 357 | T | C | -1.1036 | |
| 358 | K | C | -1.6196 | |
| 359 | C | C | 0.0000 | |
| 360 | T | C | -0.0902 | |
| 361 | A | C | -0.0588 | |
| 362 | S | C | -0.2529 | |
| 363 | N | C | 0.0000 | |
| 364 | K | C | -1.7615 | |
| 365 | N | C | -2.7121 | |
| 366 | R | C | -2.5163 | |
| 367 | G | C | -1.0203 | |
| 368 | I | C | 0.6937 | |
| 369 | I | C | 1.4063 | |
| 370 | K | C | -0.2957 | |
| 371 | T | C | -0.1635 | |
| 372 | F | C | 0.0761 | |
| 373 | S | C | -0.6139 | |
| 374 | N | C | -0.6465 | |
| 375 | G | C | -0.5088 | |
| 376 | C | C | 0.0000 | |
| 377 | D | C | -0.1550 | |
| 378 | Y | C | 0.5513 | |
| 379 | V | C | 0.2807 | |
| 380 | S | C | -0.5789 | |
| 381 | N | C | 0.0000 | |
| 382 | K | C | -2.7554 | |
| 383 | G | C | -0.9742 | |
| 384 | V | C | 0.0000 | |
| 385 | D | C | 0.0000 | |
| 386 | T | C | -0.4356 | |
| 387 | V | C | 0.0000 | |
| 388 | S | C | -0.1920 | |
| 389 | V | C | 0.0000 | |
| 390 | G | C | -0.5890 | |
| 391 | N | C | -0.1519 | |
| 392 | T | C | -0.0712 | |
| 393 | L | C | 0.3108 | |
| 394 | Y | C | 0.0000 | |
| 395 | Y | C | 0.0000 | |
| 396 | V | C | 0.0000 | |
| 397 | N | C | 0.0000 | |
| 398 | K | C | -1.4934 | |
| 399 | Q | C | -1.8352 | |
| 400 | E | C | -2.6034 | |
| 401 | G | C | -2.3717 | |
| 402 | K | C | -2.1619 | |
| 403 | S | C | -0.0290 | |
| 404 | L | C | 1.3255 | |
| 405 | Y | C | 1.2648 | |
| 406 | V | C | 0.0225 | |
| 407 | K | C | -1.7914 | |
| 408 | G | C | -2.2662 | |
| 409 | E | C | -2.4028 | |
| 410 | P | C | -1.4121 | |
| 411 | I | C | -0.5036 | |
| 412 | I | C | -0.2352 | |
| 413 | N | C | -0.8242 | |
| 414 | F | C | 0.3110 | |
| 415 | Y | C | 0.5501 | |
| 416 | D | C | -0.3193 | |
| 417 | P | C | -0.1145 | |
| 418 | L | C | 0.0000 | |
| 419 | V | C | 0.0793 | |
| 420 | F | C | 0.0000 | |
| 421 | P | C | 0.0275 | |
| 422 | S | C | 0.0000 | |
| 423 | D | C | 0.0000 | |
| 424 | L | C | 0.2640 | mutated: EL424C |
| 425 | F | C | 0.0000 | |
| 426 | D | C | -0.6307 | |
| 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 | -0.7256 | mutated: VL432C |
| 433 | N | C | -1.7682 | |
| 434 | E | C | -1.4790 | |
| 435 | K | C | 0.0000 | |
| 436 | I | C | 0.0000 | |
| 437 | N | C | -1.6555 | |
| 438 | Q | C | -0.9294 | |
| 439 | S | C | 0.0000 | |
| 440 | L | C | -0.5247 | |
| 441 | A | C | -0.9575 | |
| 442 | W | C | -0.7792 | |
| 443 | I | C | -1.1792 | |
| 444 | R | C | -2.9149 | |
| 445 | K | C | -2.3066 | |
| 446 | F | C | -1.5594 | |
| 447 | D | C | -3.1767 | |
| 448 | E | C | -3.0419 | |
| 449 | L | C | -0.9729 | |
| 450 | L | C | -0.8138 | |
| 451 | H | C | -1.3827 |
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, -0.5085 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_9 | -0.5085 | View | CSV | PDB |
| model_1 | -0.5102 | View | CSV | PDB |
| model_0 | -0.5128 | View | CSV | PDB |
| model_6 | -0.5175 | View | CSV | PDB |
| model_7 | -0.5214 | View | CSV | PDB |
| model_10 | -0.5282 | View | CSV | PDB |
| CABS_average | -0.5304 | View | CSV | PDB |
| model_4 | -0.5322 | View | CSV | PDB |
| model_5 | -0.5362 | View | CSV | PDB |
| model_2 | -0.5396 | View | CSV | PDB |
| model_8 | -0.5408 | View | CSV | PDB |
| model_3 | -0.5536 | View | CSV | PDB |
| model_11 | -0.564 | 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