Project name: RSV_sd_505M506W509L510E [mutate: VC94A, NC120A, VC94C, NC120C, VC94B, NC120B, NP42A, NP42C, NP42B, QP216A, QP216C, QP216B, SP314A, SP314C, SP314B, SP152A, SP152C, SP152B, FM442A, FM442C, FM442B, IW443A, IW443C, IW443B, SL446A, SL446C, SL446B, DE447A, DE447C, DE447B]
Status: done
Started: 2025-12-13 15:33:24
| Chain sequence(s) |
A: QNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNIKENKCNGTDAKVKLIKQELDKYKNAVTELQLLMQSTPAAGGGGSAIASGIAVSKVLHLEGEVNKIKSALLSTNKAVVSLSNGVSVLTSKVLDLKNYIDKQLLPIVNKQSCSISNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSNNVQIVRQQSYSIMSIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPSEVNLCNVDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSDEFDASISQVNEKINQSLAFIRKSDELLH
C: QNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNIKENKCNGTDAKVKLIKQELDKYKNAVTELQLLMQSTPAAGGGGSAIASGIAVSKVLHLEGEVNKIKSALLSTNKAVVSLSNGVSVLTSKVLDLKNYIDKQLLPIVNKQSCSISNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSNNVQIVRQQSYSIMSIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPSEVNLCNVDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSDEFDASISQVNEKINQSLAFIRKSDELLH B: QNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNIKENKCNGTDAKVKLIKQELDKYKNAVTELQLLMQSTPAAGGGGSAIASGIAVSKVLHLEGEVNKIKSALLSTNKAVVSLSNGVSVLTSKVLDLKNYIDKQLLPIVNKQSCSISNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSNNVQIVRQQSYSIMSIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPSEVNLCNVDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSDEFDASISQVNEKINQSLAFIRKSDELLH 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 | DE447A,SL446A,IW443A,FM442A,SP152B,VC94B,FM442B,IW443B,SP314A,QP216A,DE447B,VC94A,SP152A,SP152C,VC94C,SP314C,NC120B,QP216B,SP314B,SL446C,IW443C,FM442C,NP42C,NP42A,NC120A,DE447C,NP42B,QP216C,SL446B,NC120C |
| Energy difference between WT (input) and mutated protein (by FoldX) | -18.5304 kcal/mol |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] FoldX: Building mutant model (00:31:34)
[INFO] CABS: Running CABS flex simulation (00:50:12)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (08:27:13)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (08:27:39)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (08:28:07)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (08:28:36)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (08:29:04)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (08:29:32)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (08:30:00)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (08:30:28)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (08:30:56)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (08:31:24)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (08:31:52)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (08:32:21)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (08:32:50)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (08:33:47)
[INFO] Main: Simulation completed successfully. (08:34:14)
|
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
- -3.805
- Maximal score value
- 2.0361
- Average score
- -0.4838
- Total score value
- -654.6155
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | Q | A | 0.0000 | |
| 2 | N | A | 0.0000 | |
| 3 | I | A | -0.3135 | |
| 4 | T | A | -0.2922 | |
| 5 | E | A | 0.0000 | |
| 6 | E | A | 0.0036 | |
| 7 | F | A | 0.0000 | |
| 8 | Y | A | -0.3190 | |
| 9 | Q | A | -1.0448 | |
| 10 | S | A | -0.9390 | |
| 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 | -0.2281 | |
| 18 | G | A | 0.0716 | |
| 19 | Y | A | 0.0000 | |
| 20 | L | A | 0.1683 | |
| 21 | S | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | R | A | 0.0000 | |
| 25 | T | A | -0.0288 | |
| 26 | G | A | 0.0934 | |
| 27 | W | A | 0.3699 | |
| 28 | Y | A | 0.2913 | |
| 29 | T | A | 0.0000 | |
| 30 | S | A | 0.0000 | |
| 31 | V | A | 0.0000 | |
| 32 | I | A | 0.0000 | |
| 33 | T | A | 0.0000 | |
| 34 | I | A | 0.0000 | |
| 35 | E | A | -1.9844 | |
| 36 | L | A | 0.0000 | |
| 37 | S | A | 0.0000 | |
| 38 | N | A | -2.3545 | |
| 39 | I | A | 0.0000 | |
| 40 | K | A | -2.6740 | |
| 41 | E | A | -3.0428 | |
| 42 | P | A | -2.4972 | mutated: NP42A |
| 43 | K | A | -3.6460 | |
| 44 | C | A | 0.0000 | |
| 45 | N | A | -3.8050 | |
| 46 | G | A | -2.7298 | |
| 47 | T | A | -1.9940 | |
| 48 | D | A | -2.8267 | |
| 49 | A | A | -1.8370 | |
| 50 | K | A | -1.9657 | |
| 51 | V | A | 0.0000 | |
| 52 | K | A | -3.0186 | |
| 53 | L | A | 0.0000 | |
| 54 | I | A | 0.0000 | |
| 55 | K | A | -2.6585 | |
| 56 | Q | A | -1.9533 | |
| 57 | E | A | 0.0000 | |
| 58 | L | A | 0.0000 | |
| 59 | D | A | -2.0584 | |
| 60 | K | A | -1.3417 | |
| 61 | Y | A | 0.0000 | |
| 62 | K | A | -1.8398 | |
| 63 | N | A | -1.0880 | |
| 64 | A | A | 0.0000 | |
| 65 | V | A | 0.0000 | |
| 66 | T | A | -0.9392 | |
| 67 | E | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | Q | A | -1.4810 | |
| 70 | L | A | -0.6941 | |
| 71 | L | A | 0.0000 | |
| 72 | M | A | -0.8259 | |
| 73 | Q | A | -1.4620 | |
| 74 | S | A | -0.8845 | |
| 75 | T | A | -0.4409 | |
| 76 | P | A | -0.1429 | |
| 77 | A | A | -0.4295 | |
| 78 | A | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | G | A | 0.0000 | |
| 81 | G | A | 0.0000 | |
| 82 | G | A | -0.9792 | |
| 83 | S | A | -0.1873 | |
| 84 | A | A | 0.2038 | |
| 85 | I | A | 0.3567 | |
| 86 | A | A | 0.0000 | |
| 87 | S | A | 0.1478 | |
| 88 | G | A | 0.0000 | |
| 89 | I | A | 0.0000 | |
| 90 | A | A | -0.4756 | |
| 91 | V | A | 0.0000 | |
| 92 | S | A | 0.0000 | |
| 93 | K | A | -1.0045 | |
| 94 | C | A | -0.4127 | mutated: VC94A |
| 95 | L | A | 0.0000 | |
| 96 | H | A | -0.8429 | |
| 97 | L | A | -0.5057 | |
| 98 | E | A | -1.8597 | |
| 99 | G | A | -1.5226 | |
| 100 | E | A | 0.0000 | |
| 101 | V | A | 0.0000 | |
| 102 | N | A | -2.1600 | |
| 103 | K | A | -2.0730 | |
| 104 | I | A | 0.0000 | |
| 105 | K | A | -2.1413 | |
| 106 | S | A | -1.1208 | |
| 107 | A | A | -0.3118 | |
| 108 | L | A | 0.0003 | |
| 109 | L | A | 0.8253 | |
| 110 | S | A | 0.0180 | |
| 111 | T | A | -0.2617 | |
| 112 | N | A | -0.7473 | |
| 113 | K | A | -0.6221 | |
| 114 | A | A | 0.6135 | |
| 115 | V | A | 1.5375 | |
| 116 | V | A | 0.0000 | |
| 117 | S | A | 0.0905 | |
| 118 | L | A | 0.0000 | |
| 119 | S | A | -0.2528 | |
| 120 | C | A | -0.0237 | mutated: NC120A |
| 121 | G | A | -0.7013 | |
| 122 | V | A | -0.1475 | |
| 123 | S | A | 0.3285 | |
| 124 | V | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | T | A | 0.0000 | |
| 127 | S | A | 0.0000 | |
| 128 | K | A | 0.0000 | |
| 129 | V | A | -0.0510 | |
| 130 | L | A | -0.1954 | |
| 131 | D | A | -0.7677 | |
| 132 | L | A | 0.0000 | |
| 133 | K | A | -2.8540 | |
| 134 | N | A | -2.5489 | |
| 135 | Y | A | -1.0576 | |
| 136 | I | A | -1.5692 | |
| 137 | D | A | -2.7160 | |
| 138 | K | A | -2.6644 | |
| 139 | Q | A | -1.5037 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | -1.3089 | |
| 142 | P | A | -1.2482 | |
| 143 | I | A | -1.4488 | |
| 144 | V | A | 0.0000 | |
| 145 | N | A | -3.3210 | |
| 146 | K | A | -3.1791 | |
| 147 | Q | A | -3.3048 | |
| 148 | S | A | -2.0684 | |
| 149 | C | A | 0.0000 | |
| 150 | S | A | -1.2390 | |
| 151 | I | A | 0.0000 | |
| 152 | P | A | -0.7289 | mutated: SP152A |
| 153 | N | A | -0.9462 | |
| 154 | I | A | 0.0000 | |
| 155 | E | A | -0.9339 | |
| 156 | T | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | E | A | -0.8677 | |
| 160 | F | A | 0.0000 | |
| 161 | Q | A | -0.9617 | |
| 162 | Q | A | -1.0940 | |
| 163 | K | A | -0.9040 | |
| 164 | N | A | 0.0000 | |
| 165 | N | A | -1.6030 | |
| 166 | R | A | -1.1073 | |
| 167 | L | A | 0.0000 | |
| 168 | L | A | -0.6544 | |
| 169 | E | A | -0.8330 | |
| 170 | I | A | 0.0000 | |
| 171 | T | A | 0.0000 | |
| 172 | R | A | -1.0662 | |
| 173 | E | A | 0.0000 | |
| 174 | F | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | V | A | 0.0000 | |
| 177 | N | A | -0.6049 | |
| 178 | A | A | -0.2586 | |
| 179 | G | A | 0.0000 | |
| 180 | V | A | 0.2759 | |
| 181 | T | A | 0.0670 | |
| 182 | T | A | 0.0718 | |
| 183 | P | A | 0.0391 | |
| 184 | V | A | 0.0000 | |
| 185 | S | A | 0.0000 | |
| 186 | T | A | 0.0000 | |
| 187 | Y | A | -0.0329 | |
| 188 | M | A | 0.0000 | |
| 189 | L | A | 0.0000 | |
| 190 | T | A | 0.1036 | |
| 191 | N | A | 0.0000 | |
| 192 | S | A | 0.1424 | |
| 193 | E | A | -0.1355 | |
| 194 | L | A | 0.0000 | |
| 195 | L | A | 0.8979 | |
| 196 | S | A | -0.1615 | |
| 197 | L | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | N | A | -1.4059 | |
| 200 | D | A | -0.7647 | |
| 201 | M | A | 0.0000 | |
| 202 | P | A | -0.8246 | |
| 203 | I | A | 0.0000 | |
| 204 | T | A | -1.5323 | |
| 205 | N | A | -2.5440 | |
| 206 | D | A | -2.7951 | |
| 207 | Q | A | 0.0000 | |
| 208 | K | A | -2.2877 | |
| 209 | K | A | -2.7427 | |
| 210 | L | A | -1.4737 | |
| 211 | M | A | 0.0000 | |
| 212 | S | A | -0.8105 | |
| 213 | N | A | -0.7125 | |
| 214 | N | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | P | A | 0.0000 | mutated: QP216A |
| 217 | I | A | 0.0000 | |
| 218 | V | A | 0.0000 | |
| 219 | R | A | 0.0000 | |
| 220 | Q | A | -0.4045 | |
| 221 | Q | A | -0.3818 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | 0.3836 | |
| 224 | S | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | M | A | 0.0000 | |
| 227 | S | A | 0.0000 | |
| 228 | I | A | 0.0000 | |
| 229 | I | A | 0.0000 | |
| 230 | K | A | -2.4044 | |
| 231 | E | A | -3.1040 | |
| 232 | E | A | -3.4336 | |
| 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 | 0.1911 | |
| 243 | Y | A | 0.0000 | |
| 244 | G | A | -0.2360 | |
| 245 | V | A | -0.1844 | |
| 246 | I | A | -0.4729 | |
| 247 | D | A | -1.5307 | |
| 248 | T | A | 0.0000 | |
| 249 | P | A | -0.5005 | |
| 250 | C | A | 0.0000 | |
| 251 | W | A | 0.0385 | |
| 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 | -0.1835 | |
| 258 | L | A | 0.0000 | |
| 259 | C | A | 0.0000 | |
| 260 | T | A | -0.5631 | |
| 261 | T | A | 0.0000 | |
| 262 | N | A | -0.8988 | |
| 263 | T | A | -0.8832 | |
| 264 | K | A | 0.0000 | |
| 265 | E | A | -2.5955 | |
| 266 | G | A | -1.4416 | |
| 267 | S | A | -1.3679 | |
| 268 | N | A | -1.2530 | |
| 269 | I | A | 0.0000 | |
| 270 | C | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | T | A | 0.0059 | |
| 273 | R | A | 0.0000 | |
| 274 | T | A | -0.7667 | |
| 275 | D | A | -1.2861 | |
| 276 | R | A | -1.4425 | |
| 277 | G | A | 0.0000 | |
| 278 | W | A | 0.0000 | |
| 279 | Y | A | 0.0000 | |
| 280 | C | A | 0.0000 | |
| 281 | D | A | -0.9417 | |
| 282 | N | A | -0.9056 | |
| 283 | A | A | -0.5862 | |
| 284 | G | A | -0.7683 | |
| 285 | S | A | -0.7918 | |
| 286 | V | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | F | A | 0.0000 | |
| 289 | F | A | -0.6179 | |
| 290 | P | A | -1.1557 | |
| 291 | Q | A | -1.8046 | |
| 292 | A | A | 0.0000 | |
| 293 | E | A | -1.0015 | |
| 294 | T | A | -0.8287 | |
| 295 | C | A | 0.0000 | |
| 296 | K | A | -0.7286 | |
| 297 | V | A | -0.3671 | |
| 298 | Q | A | 0.0000 | |
| 299 | S | A | -0.7061 | |
| 300 | N | A | -0.7056 | |
| 301 | R | A | -0.7134 | |
| 302 | V | A | 0.0000 | |
| 303 | F | A | 0.0000 | |
| 304 | C | A | 0.0000 | |
| 305 | D | A | -0.5750 | |
| 306 | T | A | 0.0000 | |
| 307 | M | A | -0.2326 | |
| 308 | N | A | -1.1503 | |
| 309 | S | A | 0.0000 | |
| 310 | L | A | -0.1360 | |
| 311 | T | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | P | A | -0.8212 | |
| 314 | P | A | -0.9527 | mutated: SP314A |
| 315 | E | A | -0.5864 | |
| 316 | V | A | 0.0000 | |
| 317 | N | A | -0.4149 | |
| 318 | L | A | 0.0367 | |
| 319 | C | A | 0.0000 | |
| 320 | N | A | 0.0222 | |
| 321 | V | A | 0.8558 | |
| 322 | D | A | 0.2774 | |
| 323 | I | A | 0.0000 | |
| 324 | F | A | 1.7163 | |
| 325 | N | A | 0.0000 | |
| 326 | P | A | -1.0059 | |
| 327 | K | A | -2.4160 | |
| 328 | Y | A | 0.0000 | |
| 329 | D | A | 0.0000 | |
| 330 | C | A | 0.0000 | |
| 331 | K | A | -0.2274 | |
| 332 | I | A | 0.0000 | |
| 333 | M | A | 0.4438 | |
| 334 | T | A | 0.0000 | |
| 335 | S | A | 0.1290 | |
| 336 | K | A | 0.0000 | |
| 337 | T | A | -0.1691 | |
| 338 | D | A | 0.0000 | |
| 339 | V | A | 0.0861 | |
| 340 | S | A | 0.0000 | |
| 341 | S | A | -0.0972 | |
| 342 | S | A | 0.0440 | |
| 343 | V | A | 0.1430 | |
| 344 | I | A | 0.3511 | |
| 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 | -0.7332 | |
| 356 | K | A | 0.0000 | |
| 357 | T | A | -0.7900 | |
| 358 | K | A | -1.3759 | |
| 359 | C | A | 0.0000 | |
| 360 | T | A | -0.4636 | |
| 361 | A | A | 0.0000 | |
| 362 | S | A | -0.3662 | |
| 363 | N | A | 0.0000 | |
| 364 | K | A | -2.7243 | |
| 365 | N | A | -2.9109 | |
| 366 | R | A | -2.9926 | |
| 367 | G | A | -1.3667 | |
| 368 | I | A | 0.2220 | |
| 369 | I | A | 1.1210 | |
| 370 | K | A | -0.4273 | |
| 371 | T | A | -0.6138 | |
| 372 | F | A | 0.0000 | |
| 373 | S | A | -1.1063 | |
| 374 | N | A | -1.1188 | |
| 375 | G | A | -0.8629 | |
| 376 | C | A | 0.0000 | |
| 377 | D | A | 0.0000 | |
| 378 | Y | A | 0.0000 | |
| 379 | V | A | 0.2236 | |
| 380 | S | A | -0.2566 | |
| 381 | N | A | -1.1255 | |
| 382 | K | A | -2.2346 | |
| 383 | G | A | 0.0000 | |
| 384 | V | A | -1.5164 | |
| 385 | D | A | 0.0000 | |
| 386 | T | A | -0.1996 | |
| 387 | V | A | 0.0000 | |
| 388 | S | A | -0.1157 | |
| 389 | V | A | 0.0000 | |
| 390 | G | A | -0.7056 | |
| 391 | N | A | -0.4801 | |
| 392 | T | A | 0.0000 | |
| 393 | L | A | 0.2280 | |
| 394 | Y | A | 0.0000 | |
| 395 | Y | A | 0.0000 | |
| 396 | V | A | 0.0000 | |
| 397 | N | A | 0.0000 | |
| 398 | K | A | -1.3185 | |
| 399 | Q | A | -1.8082 | |
| 400 | E | A | -2.4849 | |
| 401 | G | A | -1.7565 | |
| 402 | K | A | -1.7466 | |
| 403 | S | A | -0.3965 | |
| 404 | L | A | 1.0685 | |
| 405 | Y | A | 1.2185 | |
| 406 | V | A | 0.0402 | |
| 407 | K | A | -1.6868 | |
| 408 | G | A | -1.4940 | |
| 409 | E | A | -1.2141 | |
| 410 | P | A | -0.6211 | |
| 411 | I | A | 0.3121 | |
| 412 | I | A | 0.8314 | |
| 413 | N | A | -0.2424 | |
| 414 | F | A | -0.0966 | |
| 415 | Y | A | -0.5999 | |
| 416 | D | A | -1.5340 | |
| 417 | P | A | -0.7294 | |
| 418 | L | A | 0.0000 | |
| 419 | V | A | 0.2924 | |
| 420 | F | A | 0.0000 | |
| 421 | P | A | 0.0000 | |
| 422 | S | A | -0.3218 | |
| 423 | D | A | 0.1664 | |
| 424 | E | A | 0.5353 | |
| 425 | F | A | 1.9731 | |
| 426 | D | A | 0.4387 | |
| 427 | A | A | 0.0000 | |
| 428 | S | A | 0.0000 | |
| 429 | I | A | 0.0000 | |
| 430 | S | A | -0.7764 | |
| 431 | Q | A | -1.3072 | |
| 432 | V | A | 0.0000 | |
| 433 | N | A | -1.6750 | |
| 434 | E | A | -2.3876 | |
| 435 | K | A | -1.7308 | |
| 436 | I | A | -1.2169 | |
| 437 | N | A | -2.1649 | |
| 438 | Q | A | -1.9011 | |
| 439 | S | A | -0.7962 | |
| 440 | L | A | -0.5094 | |
| 441 | A | A | -1.4533 | |
| 442 | M | A | -1.0785 | mutated: FM442A |
| 443 | W | A | -0.9983 | mutated: IW443A |
| 444 | R | A | -2.8462 | |
| 445 | K | A | -2.5778 | |
| 446 | L | A | 0.0000 | mutated: SL446A |
| 447 | E | A | -2.5965 | mutated: DE447A |
| 448 | E | A | -2.8905 | |
| 449 | L | A | -0.8224 | |
| 450 | L | A | -0.9817 | |
| 451 | H | A | -1.3150 | |
| 1 | Q | B | -2.5144 | |
| 2 | N | B | -2.8998 | |
| 3 | I | B | 0.0000 | |
| 4 | T | B | -1.4997 | |
| 5 | E | B | 0.0000 | |
| 6 | E | B | 0.0628 | |
| 7 | F | B | 0.0000 | |
| 8 | Y | B | 0.1949 | |
| 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 | -1.4589 | |
| 18 | G | B | -1.3351 | |
| 19 | Y | B | 0.0000 | |
| 20 | L | B | -0.5378 | |
| 21 | S | B | 0.0000 | |
| 22 | A | B | 0.0000 | |
| 23 | L | B | 0.0000 | |
| 24 | R | B | 0.0000 | |
| 25 | T | B | 0.0531 | |
| 26 | G | B | 0.2793 | |
| 27 | W | B | 0.4868 | |
| 28 | Y | B | 0.4972 | |
| 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 | -1.7177 | |
| 38 | N | B | -2.0236 | |
| 39 | I | B | 0.0000 | |
| 40 | K | B | -2.8437 | |
| 41 | E | B | -3.0198 | |
| 42 | P | B | -2.9672 | mutated: NP42B |
| 43 | K | B | -3.7894 | |
| 44 | C | B | 0.0000 | |
| 45 | N | B | -2.7562 | |
| 46 | G | B | -2.3701 | |
| 47 | T | B | -1.8608 | |
| 48 | D | B | -2.3123 | |
| 49 | A | B | -1.8155 | |
| 50 | K | B | -1.7518 | |
| 51 | V | B | 0.0000 | |
| 52 | K | B | -2.5147 | |
| 53 | L | B | 0.0000 | |
| 54 | I | B | 0.0000 | |
| 55 | K | B | -2.7061 | |
| 56 | Q | B | -1.8477 | |
| 57 | E | B | 0.0000 | |
| 58 | L | B | -1.9884 | |
| 59 | D | B | -2.5017 | |
| 60 | K | B | 0.0000 | |
| 61 | Y | B | 0.0000 | |
| 62 | K | B | -2.2880 | |
| 63 | N | B | -1.4640 | |
| 64 | A | B | 0.0000 | |
| 65 | V | B | -1.3525 | |
| 66 | T | B | -0.9151 | |
| 67 | E | B | 0.0000 | |
| 68 | L | B | 0.0000 | |
| 69 | Q | B | -1.3578 | |
| 70 | L | B | -0.2754 | |
| 71 | L | B | 0.0000 | |
| 72 | M | B | -0.1762 | |
| 73 | Q | B | -0.2625 | |
| 74 | S | B | 0.0000 | |
| 75 | T | B | -0.1704 | |
| 76 | P | B | -0.4716 | |
| 77 | A | B | -0.1091 | |
| 78 | A | B | 0.0000 | |
| 79 | G | B | 0.0000 | |
| 80 | G | B | -0.6099 | |
| 81 | G | B | -1.2300 | |
| 82 | G | B | -0.4569 | |
| 83 | S | B | 0.0000 | |
| 84 | A | B | 0.4219 | |
| 85 | I | B | 0.6061 | |
| 86 | A | B | 0.0000 | |
| 87 | S | B | 0.0583 | |
| 88 | G | B | 0.0000 | |
| 89 | I | B | 0.0000 | |
| 90 | A | B | -0.4320 | |
| 91 | V | B | 0.0878 | |
| 92 | S | B | -0.5776 | |
| 93 | K | B | -1.2135 | |
| 94 | C | B | -0.3569 | mutated: VC94B |
| 95 | L | B | 0.0000 | |
| 96 | H | B | -0.5938 | |
| 97 | L | B | 0.1957 | |
| 98 | E | B | -1.1788 | |
| 99 | G | B | -0.9969 | |
| 100 | E | B | 0.0000 | |
| 101 | V | B | 0.0000 | |
| 102 | N | B | -2.0072 | |
| 103 | K | B | -1.8607 | |
| 104 | I | B | 0.0000 | |
| 105 | K | B | -1.2589 | |
| 106 | S | B | -0.6423 | |
| 107 | A | B | -0.0143 | |
| 108 | L | B | 0.4876 | |
| 109 | L | B | 1.1722 | |
| 110 | S | B | 0.2571 | |
| 111 | T | B | -0.1872 | |
| 112 | N | B | -0.3343 | |
| 113 | K | B | -1.2901 | |
| 114 | A | B | 0.1715 | |
| 115 | V | B | 1.2408 | |
| 116 | V | B | 0.0000 | |
| 117 | S | B | 0.3255 | |
| 118 | L | B | 0.0000 | |
| 119 | S | B | -0.1548 | |
| 120 | C | B | 0.2350 | mutated: NC120B |
| 121 | G | B | -0.1296 | |
| 122 | V | B | 1.2932 | |
| 123 | S | B | 0.8975 | |
| 124 | V | B | 0.0000 | |
| 125 | L | B | 0.0000 | |
| 126 | T | B | 0.0000 | |
| 127 | S | B | -0.3098 | |
| 128 | K | B | 0.0000 | |
| 129 | V | B | -0.0244 | |
| 130 | L | B | -0.0860 | |
| 131 | D | B | -0.4002 | |
| 132 | L | B | 0.0000 | |
| 133 | K | B | -1.6887 | |
| 134 | N | B | -1.7128 | |
| 135 | Y | B | -1.1924 | |
| 136 | I | B | 0.0000 | |
| 137 | D | B | -2.9185 | |
| 138 | K | B | -2.5544 | |
| 139 | Q | B | -1.5117 | |
| 140 | L | B | 0.0000 | |
| 141 | L | B | -1.9182 | |
| 142 | P | B | -1.7735 | |
| 143 | I | B | 0.0000 | |
| 144 | V | B | 0.0000 | |
| 145 | N | B | -3.0124 | |
| 146 | K | B | -3.2492 | |
| 147 | Q | B | -3.0707 | |
| 148 | S | B | -2.2077 | |
| 149 | C | B | 0.0000 | |
| 150 | S | B | -1.7476 | |
| 151 | I | B | 0.0000 | |
| 152 | P | B | -1.2984 | mutated: SP152B |
| 153 | N | B | -1.3485 | |
| 154 | I | B | -0.6400 | |
| 155 | E | B | 0.0000 | |
| 156 | T | B | -0.5208 | |
| 157 | V | B | 0.0000 | |
| 158 | I | B | 0.0000 | |
| 159 | E | B | -0.5916 | |
| 160 | F | B | 0.0000 | |
| 161 | Q | B | -0.9557 | |
| 162 | Q | B | -1.0473 | |
| 163 | K | B | -0.9721 | |
| 164 | N | B | 0.0000 | |
| 165 | N | B | -1.7971 | |
| 166 | R | B | -1.9223 | |
| 167 | L | B | 0.0000 | |
| 168 | L | B | -1.0544 | |
| 169 | E | B | -1.5548 | |
| 170 | I | B | 0.0000 | |
| 171 | T | B | 0.0000 | |
| 172 | R | B | -1.0417 | |
| 173 | E | B | -0.7452 | |
| 174 | F | B | 0.0000 | |
| 175 | S | B | 0.0000 | |
| 176 | V | B | -0.4141 | |
| 177 | N | B | -0.7000 | |
| 178 | A | B | 0.0000 | |
| 179 | G | B | 0.0000 | |
| 180 | V | B | 0.1353 | |
| 181 | T | B | 0.0000 | |
| 182 | T | B | -0.1249 | |
| 183 | P | B | 0.0000 | |
| 184 | V | B | 0.0000 | |
| 185 | S | B | 0.0000 | |
| 186 | T | B | 0.0000 | |
| 187 | Y | B | 0.0113 | |
| 188 | M | B | 0.0000 | |
| 189 | L | B | 0.0000 | |
| 190 | T | B | -0.0467 | |
| 191 | N | B | 0.0000 | |
| 192 | S | B | -0.2965 | |
| 193 | E | B | -0.6281 | |
| 194 | L | B | 0.0000 | |
| 195 | L | B | -0.4039 | |
| 196 | S | B | -0.8401 | |
| 197 | L | B | -0.6854 | |
| 198 | I | B | 0.0000 | |
| 199 | N | B | -1.5136 | |
| 200 | D | B | -0.7607 | |
| 201 | M | B | 0.0601 | |
| 202 | P | B | -0.0349 | |
| 203 | I | B | -0.7073 | |
| 204 | T | B | -1.0312 | |
| 205 | N | B | -2.4237 | |
| 206 | D | B | -2.2977 | |
| 207 | Q | B | 0.0000 | |
| 208 | K | B | -2.2923 | |
| 209 | K | B | -2.8370 | |
| 210 | L | B | 0.0000 | |
| 211 | M | B | 0.0000 | |
| 212 | S | B | -1.4633 | |
| 213 | N | B | -1.2429 | |
| 214 | N | B | 0.0000 | |
| 215 | V | B | 0.0000 | |
| 216 | P | B | 0.0000 | mutated: QP216B |
| 217 | I | B | 0.0000 | |
| 218 | V | B | 0.0000 | |
| 219 | R | B | 0.0000 | |
| 220 | Q | B | -0.3847 | |
| 221 | Q | B | -0.2198 | |
| 222 | S | B | 0.0000 | |
| 223 | Y | B | 0.2720 | |
| 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 | -2.1637 | |
| 231 | E | B | -1.9683 | |
| 232 | E | B | -1.9622 | |
| 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 | 0.5415 | |
| 243 | Y | B | 0.0000 | |
| 244 | G | B | 0.1402 | |
| 245 | V | B | -0.0375 | |
| 246 | I | B | -0.5026 | |
| 247 | D | B | -1.4624 | |
| 248 | T | B | -0.8020 | |
| 249 | P | B | -0.8614 | |
| 250 | C | B | 0.0000 | |
| 251 | W | B | -0.4913 | |
| 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 | -0.0103 | |
| 258 | L | B | 0.0000 | |
| 259 | C | B | 0.0000 | |
| 260 | T | B | 0.0521 | |
| 261 | T | B | 0.0000 | |
| 262 | N | B | 0.0000 | |
| 263 | T | B | -1.2595 | |
| 264 | K | B | -2.8667 | |
| 265 | E | B | -3.1332 | |
| 266 | G | B | -1.9888 | |
| 267 | S | B | -1.4339 | |
| 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 | -0.5021 | |
| 275 | D | B | -1.0933 | |
| 276 | R | B | -1.6914 | |
| 277 | G | B | 0.0000 | |
| 278 | W | B | 0.0000 | |
| 279 | Y | B | 0.0000 | |
| 280 | C | B | 0.0000 | |
| 281 | D | B | -1.0873 | |
| 282 | N | B | -0.8075 | |
| 283 | A | B | -0.4547 | |
| 284 | G | B | -0.7160 | |
| 285 | S | B | -0.8362 | |
| 286 | V | B | 0.0000 | |
| 287 | S | B | 0.0000 | |
| 288 | F | B | 0.0000 | |
| 289 | F | B | 0.0000 | |
| 290 | P | B | -1.2929 | |
| 291 | Q | B | -1.9859 | |
| 292 | A | B | 0.0000 | |
| 293 | E | B | -1.3333 | |
| 294 | T | B | -1.0274 | |
| 295 | C | B | 0.0000 | |
| 296 | K | B | -0.7093 | |
| 297 | V | B | 0.0000 | |
| 298 | Q | B | -0.7055 | |
| 299 | S | B | -0.8525 | |
| 300 | N | B | -0.9223 | |
| 301 | R | B | -0.8920 | |
| 302 | V | B | 0.0000 | |
| 303 | F | B | 0.0000 | |
| 304 | C | B | 0.0000 | |
| 305 | D | B | -0.6908 | |
| 306 | T | B | 0.0000 | |
| 307 | M | B | -0.3986 | |
| 308 | N | B | -1.3596 | |
| 309 | S | B | -0.5071 | |
| 310 | L | B | 0.0352 | |
| 311 | T | B | 0.0000 | |
| 312 | L | B | 0.0000 | |
| 313 | P | B | -0.5425 | |
| 314 | P | B | -0.3714 | mutated: SP314B |
| 315 | E | B | -0.2273 | |
| 316 | V | B | 0.0925 | |
| 317 | N | B | 0.0790 | |
| 318 | L | B | 1.1422 | |
| 319 | C | B | 0.4964 | |
| 320 | N | B | 0.0275 | |
| 321 | V | B | 0.3285 | |
| 322 | D | B | -0.2082 | |
| 323 | I | B | -0.1561 | |
| 324 | F | B | -0.2905 | |
| 325 | N | B | -0.5219 | |
| 326 | P | B | -0.9038 | |
| 327 | K | B | -1.3093 | |
| 328 | Y | B | 0.2208 | |
| 329 | D | B | -0.3585 | |
| 330 | C | B | 0.0000 | |
| 331 | K | B | -0.1281 | |
| 332 | I | B | 0.0000 | |
| 333 | M | B | 0.0000 | |
| 334 | T | B | 0.0000 | |
| 335 | S | B | 0.4634 | |
| 336 | K | B | 0.0000 | |
| 337 | T | B | -0.1542 | |
| 338 | D | B | 0.0000 | |
| 339 | V | B | 0.0000 | |
| 340 | S | B | 0.0000 | |
| 341 | S | B | -0.1634 | |
| 342 | S | B | -0.0122 | |
| 343 | V | B | -0.1058 | |
| 344 | I | B | 0.0000 | |
| 345 | T | B | -0.2045 | |
| 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 | -0.1904 | |
| 355 | G | B | -0.8019 | |
| 356 | K | B | -0.7858 | |
| 357 | T | B | 0.0000 | |
| 358 | K | B | -1.8577 | |
| 359 | C | B | 0.0000 | |
| 360 | T | B | -0.4232 | |
| 361 | A | B | 0.0000 | |
| 362 | S | B | -0.5947 | |
| 363 | N | B | -1.8301 | |
| 364 | K | B | -2.5988 | |
| 365 | N | B | -2.5518 | |
| 366 | R | B | -2.2223 | |
| 367 | G | B | -1.5996 | |
| 368 | I | B | -0.6454 | |
| 369 | I | B | 0.6987 | |
| 370 | K | B | -0.9538 | |
| 371 | T | B | -0.6610 | |
| 372 | F | B | -0.6383 | |
| 373 | S | B | -1.1080 | |
| 374 | N | B | -1.3937 | |
| 375 | G | B | 0.0000 | |
| 376 | C | B | 0.0000 | |
| 377 | D | B | -0.7543 | |
| 378 | Y | B | 0.0000 | |
| 379 | V | B | 0.0000 | |
| 380 | S | B | -0.5981 | |
| 381 | N | B | -1.4117 | |
| 382 | K | B | -1.9939 | |
| 383 | G | B | 0.0000 | |
| 384 | V | B | 0.0000 | |
| 385 | D | B | -1.5916 | |
| 386 | T | B | -0.1969 | |
| 387 | V | B | 0.0000 | |
| 388 | S | B | -0.1966 | |
| 389 | V | B | 0.0000 | |
| 390 | G | B | -1.0112 | |
| 391 | N | B | -0.9695 | |
| 392 | T | B | 0.0000 | |
| 393 | L | B | 0.1190 | |
| 394 | Y | B | 0.0000 | |
| 395 | Y | B | 0.1235 | |
| 396 | V | B | -0.2348 | |
| 397 | N | B | -0.9637 | |
| 398 | K | B | -1.9786 | |
| 399 | Q | B | 0.0000 | |
| 400 | E | B | -3.3023 | |
| 401 | G | B | -2.7462 | |
| 402 | K | B | -2.2454 | |
| 403 | S | B | -0.2675 | |
| 404 | L | B | 1.4328 | |
| 405 | Y | B | 1.4280 | |
| 406 | V | B | 1.1832 | |
| 407 | K | B | -0.9709 | |
| 408 | G | B | -1.1734 | |
| 409 | E | B | -1.4543 | |
| 410 | P | B | -0.9320 | |
| 411 | I | B | -0.4175 | |
| 412 | I | B | -0.2563 | |
| 413 | N | B | -0.9325 | |
| 414 | F | B | 0.0000 | |
| 415 | Y | B | 0.0000 | |
| 416 | D | B | -1.3972 | |
| 417 | P | B | -0.2342 | |
| 418 | L | B | 0.7990 | |
| 419 | V | B | 1.6680 | |
| 420 | F | B | 0.0000 | |
| 421 | P | B | 0.1259 | |
| 422 | S | B | -0.0777 | |
| 423 | D | B | 0.0238 | |
| 424 | E | B | 0.0000 | |
| 425 | F | B | 2.0361 | |
| 426 | D | B | 0.7188 | |
| 427 | A | B | 0.0000 | |
| 428 | S | B | 0.0000 | |
| 429 | I | B | 0.0000 | |
| 430 | S | B | -0.9654 | |
| 431 | Q | B | 0.0000 | |
| 432 | V | B | 0.0000 | |
| 433 | N | B | -0.8803 | |
| 434 | E | B | -0.9409 | |
| 435 | K | B | 0.0000 | |
| 436 | I | B | 0.0000 | |
| 437 | N | B | -0.4893 | |
| 438 | Q | B | -0.3957 | |
| 439 | S | B | 0.3458 | |
| 440 | L | B | 0.8705 | |
| 441 | A | B | -0.1742 | |
| 442 | M | B | 0.1584 | mutated: FM442B |
| 443 | W | B | -0.0159 | mutated: IW443B |
| 444 | R | B | -2.1468 | |
| 445 | K | B | -1.3673 | |
| 446 | L | B | -1.3820 | mutated: SL446B |
| 447 | E | B | -2.8027 | mutated: DE447B |
| 448 | E | B | -2.6500 | |
| 449 | L | B | -0.8161 | |
| 450 | L | B | -0.1030 | |
| 451 | H | B | -1.0137 | |
| 1 | Q | C | -0.8374 | |
| 2 | N | C | 0.0000 | |
| 3 | I | C | 0.3902 | |
| 4 | T | C | -0.2694 | |
| 5 | E | C | 0.0000 | |
| 6 | E | C | 0.0141 | |
| 7 | F | C | 0.0000 | |
| 8 | Y | C | 0.0262 | |
| 9 | Q | C | 0.0000 | |
| 10 | S | C | 0.2057 | |
| 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 | 0.1042 | |
| 18 | G | C | 0.0587 | |
| 19 | Y | C | 0.0000 | |
| 20 | L | C | -0.3635 | |
| 21 | S | C | 0.0000 | |
| 22 | A | C | 0.0000 | |
| 23 | L | C | 0.0000 | |
| 24 | R | C | 0.0000 | |
| 25 | T | C | 0.1502 | |
| 26 | G | C | 0.2076 | |
| 27 | W | C | 0.5368 | |
| 28 | Y | C | 0.6334 | |
| 29 | T | C | 0.0000 | |
| 30 | S | C | 0.0000 | |
| 31 | V | C | 0.0000 | |
| 32 | I | C | 0.0000 | |
| 33 | T | C | 0.0000 | |
| 34 | I | C | 0.0000 | |
| 35 | E | C | -1.2295 | |
| 36 | L | C | 0.0000 | |
| 37 | S | C | 0.0000 | |
| 38 | N | C | -2.1577 | |
| 39 | I | C | -1.8019 | |
| 40 | K | C | -2.4690 | |
| 41 | E | C | -2.4857 | |
| 42 | P | C | -2.0438 | mutated: NP42C |
| 43 | K | C | -2.0819 | |
| 44 | C | C | 0.0000 | |
| 45 | N | C | -1.9378 | |
| 46 | G | C | -1.6949 | |
| 47 | T | C | -1.4893 | |
| 48 | D | C | -1.8245 | |
| 49 | A | C | -1.3733 | |
| 50 | K | C | -1.7796 | |
| 51 | V | C | 0.0000 | |
| 52 | K | C | -2.1366 | |
| 53 | L | C | 0.0000 | |
| 54 | I | C | 0.0000 | |
| 55 | K | C | -2.6438 | |
| 56 | Q | C | -1.9488 | |
| 57 | E | C | 0.0000 | |
| 58 | L | C | 0.0000 | |
| 59 | D | C | -2.8692 | |
| 60 | K | C | -1.7558 | |
| 61 | Y | C | 0.0000 | |
| 62 | K | C | -2.0832 | |
| 63 | N | C | -1.2214 | |
| 64 | A | C | 0.0000 | |
| 65 | V | C | 0.0000 | |
| 66 | T | C | -0.6086 | |
| 67 | E | C | 0.0000 | |
| 68 | L | C | 0.0000 | |
| 69 | Q | C | -0.8745 | |
| 70 | L | C | -0.4054 | |
| 71 | L | C | 0.0000 | |
| 72 | M | C | -0.5829 | |
| 73 | Q | C | -1.1943 | |
| 74 | S | C | 0.0000 | |
| 75 | T | C | -0.7775 | |
| 76 | P | C | -0.3517 | |
| 77 | A | C | -0.2004 | |
| 78 | A | C | 0.0000 | |
| 79 | G | C | 0.0000 | |
| 80 | G | C | 0.0000 | |
| 81 | G | C | 0.0000 | |
| 82 | G | C | -0.1507 | |
| 83 | S | C | 0.0000 | |
| 84 | A | C | 0.5755 | |
| 85 | I | C | 0.8073 | |
| 86 | A | C | 0.0000 | |
| 87 | S | C | 0.1625 | |
| 88 | G | C | 0.0000 | |
| 89 | I | C | 0.0000 | |
| 90 | A | C | 0.0000 | |
| 91 | V | C | 0.0000 | |
| 92 | S | C | 0.0000 | |
| 93 | K | C | -2.0211 | |
| 94 | C | C | 0.0000 | mutated: VC94C |
| 95 | L | C | 0.0000 | |
| 96 | H | C | -1.6692 | |
| 97 | L | C | -0.9439 | |
| 98 | E | C | -2.3806 | |
| 99 | G | C | -2.0301 | |
| 100 | E | C | -2.1220 | |
| 101 | V | C | 0.0000 | |
| 102 | N | C | -2.6538 | |
| 103 | K | C | -2.2971 | |
| 104 | I | C | 0.0000 | |
| 105 | K | C | -1.4876 | |
| 106 | S | C | -0.7886 | |
| 107 | A | C | -0.4582 | |
| 108 | L | C | 0.0000 | |
| 109 | L | C | 0.4111 | |
| 110 | S | C | -0.0699 | |
| 111 | T | C | -0.6382 | |
| 112 | N | C | -1.4953 | |
| 113 | K | C | -1.7811 | |
| 114 | A | C | -0.1627 | |
| 115 | V | C | 1.4139 | |
| 116 | V | C | 0.0000 | |
| 117 | S | C | 0.1051 | |
| 118 | L | C | 0.0000 | |
| 119 | S | C | -0.3517 | |
| 120 | C | C | 0.0000 | mutated: NC120C |
| 121 | G | C | -1.1411 | |
| 122 | V | C | 0.0249 | |
| 123 | S | C | 0.4696 | |
| 124 | V | C | 0.0000 | |
| 125 | L | C | 0.3567 | |
| 126 | T | C | 0.0000 | |
| 127 | S | C | 0.0000 | |
| 128 | K | C | -0.7428 | |
| 129 | V | C | 0.0406 | |
| 130 | L | C | 0.2840 | |
| 131 | D | C | -0.5732 | |
| 132 | L | C | 0.0000 | |
| 133 | K | C | -1.9598 | |
| 134 | N | C | -1.9004 | |
| 135 | Y | C | -0.5811 | |
| 136 | I | C | 0.0000 | |
| 137 | D | C | -2.4178 | |
| 138 | K | C | -2.1900 | |
| 139 | Q | C | -1.0165 | |
| 140 | L | C | -0.6003 | |
| 141 | L | C | -0.2349 | |
| 142 | P | C | -1.0102 | |
| 143 | I | C | 0.0000 | |
| 144 | V | C | -0.6689 | |
| 145 | N | C | -1.7898 | |
| 146 | K | C | -2.6054 | |
| 147 | Q | C | -2.4631 | |
| 148 | S | C | -1.7389 | |
| 149 | C | C | 0.0000 | |
| 150 | S | C | -1.3157 | |
| 151 | I | C | 0.0000 | |
| 152 | P | C | -0.8919 | mutated: SP152C |
| 153 | N | C | -0.9054 | |
| 154 | I | C | 0.0000 | |
| 155 | E | C | 0.0000 | |
| 156 | T | C | -0.7426 | |
| 157 | V | C | 0.0000 | |
| 158 | I | C | 0.0000 | |
| 159 | E | C | -1.0668 | |
| 160 | F | C | 0.0000 | |
| 161 | Q | C | -0.7320 | |
| 162 | Q | C | -0.8457 | |
| 163 | K | C | -0.4424 | |
| 164 | N | C | 0.0000 | |
| 165 | N | C | -0.8456 | |
| 166 | R | C | 0.0000 | |
| 167 | L | C | 0.0000 | |
| 168 | L | C | -0.4871 | |
| 169 | E | C | -0.5385 | |
| 170 | I | C | 0.0000 | |
| 171 | T | C | 0.0000 | |
| 172 | R | C | -0.6527 | |
| 173 | E | C | -0.5484 | |
| 174 | F | C | 0.0000 | |
| 175 | S | C | 0.0000 | |
| 176 | V | C | -0.0832 | |
| 177 | N | C | -0.5819 | |
| 178 | A | C | -0.1871 | |
| 179 | G | C | 0.0000 | |
| 180 | V | C | 0.1423 | |
| 181 | T | C | 0.0000 | |
| 182 | T | C | -0.1430 | |
| 183 | P | C | -0.2360 | |
| 184 | V | C | 0.0000 | |
| 185 | S | C | 0.0000 | |
| 186 | T | C | 0.0000 | |
| 187 | Y | C | 0.1348 | |
| 188 | M | C | 0.0000 | |
| 189 | L | C | 0.0000 | |
| 190 | T | C | 0.0213 | |
| 191 | N | C | 0.0000 | |
| 192 | S | C | -0.1389 | |
| 193 | E | C | -0.2186 | |
| 194 | L | C | 0.0000 | |
| 195 | L | C | 0.0212 | |
| 196 | S | C | -0.6218 | |
| 197 | L | C | 0.0000 | |
| 198 | I | C | 0.0000 | |
| 199 | N | C | -1.4224 | |
| 200 | D | C | -1.5219 | |
| 201 | M | C | 0.0000 | |
| 202 | P | C | -0.6009 | |
| 203 | I | C | -0.8405 | |
| 204 | T | C | -1.6816 | |
| 205 | N | C | -2.9040 | |
| 206 | D | C | -2.9967 | |
| 207 | Q | C | 0.0000 | |
| 208 | K | C | -2.4063 | |
| 209 | K | C | -2.8106 | |
| 210 | L | C | -1.3445 | |
| 211 | M | C | 0.0000 | |
| 212 | S | C | -0.9939 | |
| 213 | N | C | -0.4632 | |
| 214 | N | C | 0.0000 | |
| 215 | V | C | 0.0000 | |
| 216 | P | C | 0.0000 | mutated: QP216C |
| 217 | I | C | 0.0000 | |
| 218 | V | C | 0.0000 | |
| 219 | R | C | 0.0000 | |
| 220 | Q | C | -0.5053 | |
| 221 | Q | C | -0.4059 | |
| 222 | S | C | 0.0000 | |
| 223 | Y | C | 0.2371 | |
| 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 | -2.2966 | |
| 231 | E | C | -2.8759 | |
| 232 | E | C | -2.1174 | |
| 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 | 0.3784 | |
| 243 | Y | C | 0.0000 | |
| 244 | G | C | 0.1521 | |
| 245 | V | C | 0.2596 | |
| 246 | I | C | -0.5761 | |
| 247 | D | C | -1.5848 | |
| 248 | T | C | 0.0000 | |
| 249 | P | C | -0.7827 | |
| 250 | C | C | 0.0000 | |
| 251 | W | C | 0.0000 | |
| 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 | -0.0296 | |
| 258 | L | C | 0.0000 | |
| 259 | C | C | 0.0000 | |
| 260 | T | C | 0.0772 | |
| 261 | T | C | -0.4982 | |
| 262 | N | C | 0.0000 | |
| 263 | T | C | 0.0000 | |
| 264 | K | C | -2.2190 | |
| 265 | E | C | -1.5385 | |
| 266 | G | C | -1.0697 | |
| 267 | S | C | -0.7523 | |
| 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 | -0.2448 | |
| 275 | D | C | 0.0000 | |
| 276 | R | C | -1.9712 | |
| 277 | G | C | 0.0000 | |
| 278 | W | C | 0.0000 | |
| 279 | Y | C | 0.0000 | |
| 280 | C | C | 0.0000 | |
| 281 | D | C | -0.7870 | |
| 282 | N | C | -0.9219 | |
| 283 | A | C | -0.6747 | |
| 284 | G | C | -0.7727 | |
| 285 | S | C | -0.8600 | |
| 286 | V | C | 0.0000 | |
| 287 | S | C | -0.3871 | |
| 288 | F | C | 0.0000 | |
| 289 | F | C | 0.0000 | |
| 290 | P | C | -1.5512 | |
| 291 | Q | C | -2.3513 | |
| 292 | A | C | 0.0000 | |
| 293 | E | C | -2.5575 | |
| 294 | T | C | -1.5057 | |
| 295 | C | C | -1.1638 | |
| 296 | K | C | -1.1097 | |
| 297 | V | C | 0.0000 | |
| 298 | Q | C | 0.0000 | |
| 299 | S | C | -0.7137 | |
| 300 | N | C | -1.0750 | |
| 301 | R | C | -0.8926 | |
| 302 | V | C | 0.0000 | |
| 303 | F | C | 0.0000 | |
| 304 | C | C | 0.0000 | |
| 305 | D | C | -0.5738 | |
| 306 | T | C | 0.0000 | |
| 307 | M | C | 0.0001 | |
| 308 | N | C | -1.0923 | |
| 309 | S | C | -0.5969 | |
| 310 | L | C | -0.0829 | |
| 311 | T | C | 0.0000 | |
| 312 | L | C | 0.0000 | |
| 313 | P | C | -0.4162 | |
| 314 | P | C | -0.4024 | mutated: SP314C |
| 315 | E | C | -0.3810 | |
| 316 | V | C | 0.0000 | |
| 317 | N | C | 0.0196 | |
| 318 | L | C | 1.1160 | |
| 319 | C | C | 0.0000 | |
| 320 | N | C | 0.2514 | |
| 321 | V | C | 1.4229 | |
| 322 | D | C | 0.0000 | |
| 323 | I | C | 1.0204 | |
| 324 | F | C | 1.3222 | |
| 325 | N | C | -0.8913 | |
| 326 | P | C | -0.5480 | |
| 327 | K | C | -1.4945 | |
| 328 | Y | C | -0.3138 | |
| 329 | D | C | 0.0000 | |
| 330 | C | C | 0.0000 | |
| 331 | K | C | 0.1665 | |
| 332 | I | C | 0.0000 | |
| 333 | M | C | 0.4587 | |
| 334 | T | C | 0.0000 | |
| 335 | S | C | 0.0000 | |
| 336 | K | C | -0.2998 | |
| 337 | T | C | -0.2659 | |
| 338 | D | C | 0.0000 | |
| 339 | V | C | 0.0759 | |
| 340 | S | C | 0.0000 | |
| 341 | S | C | -0.0592 | |
| 342 | S | C | 0.0000 | |
| 343 | V | C | 0.5156 | |
| 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 | -0.0997 | |
| 355 | G | C | -0.8579 | |
| 356 | K | C | -0.9229 | |
| 357 | T | C | -1.0355 | |
| 358 | K | C | -1.6885 | |
| 359 | C | C | 0.0000 | |
| 360 | T | C | 0.0443 | |
| 361 | A | C | 0.0000 | |
| 362 | S | C | 0.0925 | |
| 363 | N | C | 0.0000 | |
| 364 | K | C | -2.3970 | |
| 365 | N | C | -2.3136 | |
| 366 | R | C | -2.0936 | |
| 367 | G | C | -0.7953 | |
| 368 | I | C | 0.5087 | |
| 369 | I | C | 1.8627 | |
| 370 | K | C | 1.1574 | |
| 371 | T | C | 0.5433 | |
| 372 | F | C | 0.6691 | |
| 373 | S | C | -0.3302 | |
| 374 | N | C | -0.5097 | |
| 375 | G | C | 0.0000 | |
| 376 | C | C | 0.0000 | |
| 377 | D | C | -0.5265 | |
| 378 | Y | C | 0.0000 | |
| 379 | V | C | 0.1507 | |
| 380 | S | C | 0.0000 | |
| 381 | N | C | -1.9563 | |
| 382 | K | C | -2.7406 | |
| 383 | G | C | 0.0000 | |
| 384 | V | C | 0.0000 | |
| 385 | D | C | -1.0835 | |
| 386 | T | C | -0.2025 | |
| 387 | V | C | 0.0000 | |
| 388 | S | C | -0.3631 | |
| 389 | V | C | 0.0000 | |
| 390 | G | C | -1.1038 | |
| 391 | N | C | -0.7858 | |
| 392 | T | C | 0.0000 | |
| 393 | L | C | 0.3199 | |
| 394 | Y | C | 0.5821 | |
| 395 | Y | C | 0.4131 | |
| 396 | V | C | 0.0000 | |
| 397 | N | C | -0.5336 | |
| 398 | K | C | 0.0000 | |
| 399 | Q | C | -0.8214 | |
| 400 | E | C | -1.1598 | |
| 401 | G | C | -1.4944 | |
| 402 | K | C | -2.0018 | |
| 403 | S | C | -0.6052 | |
| 404 | L | C | 0.8142 | |
| 405 | Y | C | 1.5878 | |
| 406 | V | C | 0.8430 | |
| 407 | K | C | -1.3125 | |
| 408 | G | C | -1.5394 | |
| 409 | E | C | -1.9027 | |
| 410 | P | C | -0.2479 | |
| 411 | I | C | 1.6684 | |
| 412 | I | C | 0.8311 | |
| 413 | N | C | 0.1710 | |
| 414 | F | C | 0.4402 | |
| 415 | Y | C | 0.0000 | |
| 416 | D | C | -0.8025 | |
| 417 | P | C | -0.2484 | |
| 418 | L | C | -0.1192 | |
| 419 | V | C | -0.1323 | |
| 420 | F | C | 0.0000 | |
| 421 | P | C | 0.0000 | |
| 422 | S | C | 0.2459 | |
| 423 | D | C | 0.5298 | |
| 424 | E | C | 0.0000 | |
| 425 | F | C | 1.9908 | |
| 426 | D | C | 0.3961 | |
| 427 | A | C | 0.0000 | |
| 428 | S | C | 0.0000 | |
| 429 | I | C | 0.0000 | |
| 430 | S | C | 0.0000 | |
| 431 | Q | C | 0.0000 | |
| 432 | V | C | 0.0000 | |
| 433 | N | C | -1.3675 | |
| 434 | E | C | -1.4795 | |
| 435 | K | C | -0.8787 | |
| 436 | I | C | -0.7054 | |
| 437 | N | C | -0.9964 | |
| 438 | Q | C | -0.3419 | |
| 439 | S | C | 0.0913 | |
| 440 | L | C | 0.8478 | |
| 441 | A | C | 0.0811 | |
| 442 | M | C | 0.3028 | mutated: FM442C |
| 443 | W | C | 0.2447 | mutated: IW443C |
| 444 | R | C | -1.6568 | |
| 445 | K | C | -0.9728 | |
| 446 | L | C | -0.7921 | mutated: SL446C |
| 447 | E | C | -2.4156 | mutated: DE447C |
| 448 | E | C | -1.8656 | |
| 449 | L | C | -0.5101 | |
| 450 | L | C | -0.3523 | |
| 451 | H | C | -1.0048 |
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, -0.4838 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_0 | -0.4838 | View | CSV | PDB |
| model_5 | -0.4995 | View | CSV | PDB |
| model_6 | -0.5031 | View | CSV | PDB |
| model_3 | -0.5044 | View | CSV | PDB |
| model_8 | -0.5048 | View | CSV | PDB |
| model_10 | -0.5114 | View | CSV | PDB |
| model_11 | -0.5175 | View | CSV | PDB |
| CABS_average | -0.5221 | View | CSV | PDB |
| model_7 | -0.5232 | View | CSV | PDB |
| model_1 | -0.5252 | View | CSV | PDB |
| model_2 | -0.5384 | View | CSV | PDB |
| model_4 | -0.5534 | View | CSV | PDB |
| model_9 | -0.6008 | View | CSV | PDB |
| input | -0.6364 | 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