Project name: RSV_sd_486Q [mutate: VC94A, NC120A, VC94C, NC120C, VC94B, NC120B, NP42A, NP42C, NP42B, SP152A, SP152C, SP152B, QP216A, QP216C, QP216B, SP314A, SP314C, SP314B, SF446A, SF446C, SF446B, FW442A, FW442C, FW442B, EQ424C, EQ424A, EQ424B]
Status: done
Started: 2025-12-13 11:50:46
| 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 | SF446A,FW442A,SP152B,VC94B,FW442B,SP314A,QP216A,VC94A,EQ424B,SP152A,SP152C,VC94C,SP314C,NC120B,QP216B,SP314B,SF446C,FW442C,NP42C,NP42A,NC120A,NP42B,QP216C,EQ424A,SF446B,NC120C,EQ424C |
| Energy difference between WT (input) and mutated protein (by FoldX) | -24.8826 kcal/mol |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:11)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:11)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:11)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:11)
[INFO] FoldX: Starting FoldX energy minimization (00:00:12)
[INFO] FoldX: Building mutant model (00:29:48)
[INFO] CABS: Running CABS flex simulation (00:52:04)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (08:33:17)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (08:33:45)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (08:34:11)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (08:34:38)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (08:35:04)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (08:35:31)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (08:35:59)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (08:36:27)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (08:36:54)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (08:37:21)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (08:37:48)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (08:38:13)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (08:38:38)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (08:39:34)
[INFO] Main: Simulation completed successfully. (08:39:59)
|
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
- -3.8964
- Maximal score value
- 2.0778
- Average score
- -0.5065
- Total score value
- -685.2995
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 | -2.4230 | |
| 2 | N | A | -2.6989 | |
| 3 | I | A | 0.0000 | |
| 4 | T | A | -1.6375 | |
| 5 | E | A | 0.0000 | |
| 6 | E | A | -0.1719 | |
| 7 | F | A | 0.0000 | |
| 8 | Y | A | -0.4554 | |
| 9 | Q | A | -0.6959 | |
| 10 | S | A | -0.5092 | |
| 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 | -1.7453 | |
| 18 | G | A | -1.4855 | |
| 19 | Y | A | 0.0000 | |
| 20 | L | A | -0.4806 | |
| 21 | S | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | R | A | 0.0000 | |
| 25 | T | A | -0.0857 | |
| 26 | G | A | 0.0344 | |
| 27 | W | A | 0.3191 | |
| 28 | Y | A | 0.5792 | |
| 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 | -2.0970 | |
| 38 | N | A | -2.5548 | |
| 39 | I | A | 0.0000 | |
| 40 | K | A | -3.0716 | |
| 41 | E | A | -3.0412 | |
| 42 | P | A | -1.9258 | mutated: NP42A |
| 43 | K | A | -2.7393 | |
| 44 | C | A | -1.6224 | |
| 45 | N | A | -1.9099 | |
| 46 | G | A | -1.0955 | |
| 47 | T | A | -1.4059 | |
| 48 | D | A | -1.3992 | |
| 49 | A | A | -1.3827 | |
| 50 | K | A | -1.2243 | |
| 51 | V | A | 0.0000 | |
| 52 | K | A | -2.0496 | |
| 53 | L | A | 0.0000 | |
| 54 | I | A | 0.0000 | |
| 55 | K | A | -2.3285 | |
| 56 | Q | A | -2.1126 | |
| 57 | E | A | 0.0000 | |
| 58 | L | A | 0.0000 | |
| 59 | D | A | -2.2203 | |
| 60 | K | A | -1.2458 | |
| 61 | Y | A | 0.0000 | |
| 62 | K | A | -2.0787 | |
| 63 | N | A | -0.8616 | |
| 64 | A | A | 0.0000 | |
| 65 | V | A | -0.4703 | |
| 66 | T | A | -0.4059 | |
| 67 | E | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | Q | A | -0.9440 | |
| 70 | L | A | -0.6123 | |
| 71 | L | A | 0.0000 | |
| 72 | M | A | -0.2966 | |
| 73 | Q | A | -0.8978 | |
| 74 | S | A | -0.5210 | |
| 75 | T | A | 0.0000 | |
| 76 | P | A | -0.1992 | |
| 77 | A | A | -0.4320 | |
| 78 | A | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | G | A | -0.8097 | |
| 81 | G | A | -0.7838 | |
| 82 | G | A | -0.5814 | |
| 83 | S | A | 0.0000 | |
| 84 | A | A | 0.1110 | |
| 85 | I | A | 0.2557 | |
| 86 | A | A | 0.0000 | |
| 87 | S | A | -0.0503 | |
| 88 | G | A | 0.0000 | |
| 89 | I | A | 0.0000 | |
| 90 | A | A | -0.5695 | |
| 91 | V | A | 0.0000 | |
| 92 | S | A | -0.9038 | |
| 93 | K | A | -1.7162 | |
| 94 | C | A | 0.0000 | mutated: VC94A |
| 95 | L | A | 0.0000 | |
| 96 | H | A | -1.3950 | |
| 97 | L | A | -0.7490 | |
| 98 | E | A | -2.2180 | |
| 99 | G | A | -2.1254 | |
| 100 | E | A | -1.9695 | |
| 101 | V | A | 0.0000 | |
| 102 | N | A | -2.6136 | |
| 103 | K | A | -2.4460 | |
| 104 | I | A | 0.0000 | |
| 105 | K | A | -1.4315 | |
| 106 | S | A | -0.8482 | |
| 107 | A | A | -0.6091 | |
| 108 | L | A | -0.3458 | |
| 109 | L | A | 0.8456 | |
| 110 | S | A | 0.1702 | |
| 111 | T | A | -0.3339 | |
| 112 | N | A | -1.0404 | |
| 113 | K | A | -1.8496 | |
| 114 | A | A | -0.4723 | |
| 115 | V | A | 1.1552 | |
| 116 | V | A | 0.3115 | |
| 117 | S | A | 0.0727 | |
| 118 | L | A | 0.0000 | |
| 119 | S | A | -0.3514 | |
| 120 | C | A | -0.9810 | mutated: NC120A |
| 121 | G | A | -0.7664 | |
| 122 | V | A | 0.3415 | |
| 123 | S | A | 0.5964 | |
| 124 | V | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | T | A | 0.0000 | |
| 127 | S | A | 0.0000 | |
| 128 | K | A | -1.0561 | |
| 129 | V | A | -0.3112 | |
| 130 | L | A | 0.0000 | |
| 131 | D | A | -1.1246 | |
| 132 | L | A | 0.0000 | |
| 133 | K | A | -1.9871 | |
| 134 | N | A | -2.2267 | |
| 135 | Y | A | -1.2596 | |
| 136 | I | A | 0.0000 | |
| 137 | D | A | -1.9798 | |
| 138 | K | A | -2.1686 | |
| 139 | Q | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | -1.0354 | |
| 142 | P | A | -1.0931 | |
| 143 | I | A | 0.0000 | |
| 144 | V | A | -0.9911 | |
| 145 | N | A | -2.1403 | |
| 146 | K | A | -2.5461 | |
| 147 | Q | A | -2.2530 | |
| 148 | S | A | -0.9732 | |
| 149 | C | A | -0.3991 | |
| 150 | S | A | 0.0515 | |
| 151 | I | A | 1.1759 | |
| 152 | P | A | 0.0000 | mutated: SP152A |
| 153 | N | A | -0.4858 | |
| 154 | I | A | 0.0000 | |
| 155 | E | A | -0.8482 | |
| 156 | T | A | -0.3730 | |
| 157 | V | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | E | A | -0.7303 | |
| 160 | F | A | 0.0000 | |
| 161 | Q | A | -0.7484 | |
| 162 | Q | A | -0.9861 | |
| 163 | K | A | 0.0000 | |
| 164 | N | A | 0.0000 | |
| 165 | N | A | -1.0013 | |
| 166 | R | A | -0.8108 | |
| 167 | L | A | 0.0000 | |
| 168 | L | A | -0.0986 | |
| 169 | E | A | -0.4940 | |
| 170 | I | A | 0.0000 | |
| 171 | T | A | 0.0000 | |
| 172 | R | A | -0.4034 | |
| 173 | E | A | -0.4176 | |
| 174 | F | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | V | A | -0.1513 | |
| 177 | N | A | -0.4789 | |
| 178 | A | A | -0.2387 | |
| 179 | G | A | 0.0000 | |
| 180 | V | A | 0.2637 | |
| 181 | T | A | 0.0000 | |
| 182 | T | A | -0.1359 | |
| 183 | P | A | -0.1497 | |
| 184 | V | A | 0.0000 | |
| 185 | S | A | 0.0000 | |
| 186 | T | A | 0.0000 | |
| 187 | Y | A | 0.0000 | |
| 188 | M | A | 0.0000 | |
| 189 | L | A | 0.0000 | |
| 190 | T | A | -0.2531 | |
| 191 | N | A | -0.3617 | |
| 192 | S | A | -0.5580 | |
| 193 | E | A | -0.7114 | |
| 194 | L | A | 0.0000 | |
| 195 | L | A | -0.4623 | |
| 196 | S | A | -1.1035 | |
| 197 | L | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | N | A | -2.0504 | |
| 200 | D | A | -1.6789 | |
| 201 | M | A | -0.8014 | |
| 202 | P | A | -0.7044 | |
| 203 | I | A | 0.0000 | |
| 204 | T | A | -1.7555 | |
| 205 | N | A | -2.8579 | |
| 206 | D | A | -2.8852 | |
| 207 | Q | A | -2.1100 | |
| 208 | K | A | -2.7295 | |
| 209 | K | A | -2.9279 | |
| 210 | L | A | 0.0000 | |
| 211 | M | A | 0.0000 | |
| 212 | S | A | -1.2511 | |
| 213 | N | A | -1.0865 | |
| 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 | -0.5754 | |
| 221 | Q | A | -0.4393 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | 0.1313 | |
| 224 | S | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | M | A | 0.0000 | |
| 227 | S | A | 0.0000 | |
| 228 | I | A | -0.5171 | |
| 229 | I | A | -0.6862 | |
| 230 | K | A | -1.7579 | |
| 231 | E | A | -2.4545 | |
| 232 | E | A | -1.6944 | |
| 233 | V | A | 0.0000 | |
| 234 | L | A | 0.0000 | |
| 235 | A | A | 0.0000 | |
| 236 | Y | A | 0.0000 | |
| 237 | V | A | 0.0000 | |
| 238 | V | A | 0.0000 | |
| 239 | Q | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | P | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | Y | A | 0.0000 | |
| 244 | G | A | -0.3017 | |
| 245 | V | A | -0.3640 | |
| 246 | I | A | -0.7169 | |
| 247 | D | A | -1.5214 | |
| 248 | T | A | 0.0000 | |
| 249 | P | A | -0.8062 | |
| 250 | C | A | 0.0000 | |
| 251 | W | A | -0.5181 | |
| 252 | K | A | 0.0000 | |
| 253 | L | A | 0.0000 | |
| 254 | H | A | 0.0000 | |
| 255 | T | A | -0.5294 | |
| 256 | S | A | 0.0000 | |
| 257 | P | A | -0.0714 | |
| 258 | L | A | 0.4597 | |
| 259 | C | A | 0.0000 | |
| 260 | T | A | -0.1153 | |
| 261 | T | A | -1.4282 | |
| 262 | N | A | -2.2179 | |
| 263 | T | A | -2.1199 | |
| 264 | K | A | -2.5807 | |
| 265 | E | A | -2.2265 | |
| 266 | G | A | -1.5616 | |
| 267 | S | A | -1.4352 | |
| 268 | N | A | 0.0000 | |
| 269 | I | A | 0.0000 | |
| 270 | C | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | T | A | -0.3474 | |
| 273 | R | A | 0.0000 | |
| 274 | T | A | 0.0000 | |
| 275 | D | A | -2.1262 | |
| 276 | R | A | -1.7240 | |
| 277 | G | A | 0.0000 | |
| 278 | W | A | 0.0000 | |
| 279 | Y | A | 0.0000 | |
| 280 | C | A | 0.0000 | |
| 281 | D | A | -0.7804 | |
| 282 | N | A | -0.8393 | |
| 283 | A | A | -0.6533 | |
| 284 | G | A | -0.6269 | |
| 285 | S | A | -0.6156 | |
| 286 | V | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | F | A | 0.0000 | |
| 289 | F | A | 0.0000 | |
| 290 | P | A | -1.3827 | |
| 291 | Q | A | -2.1684 | |
| 292 | A | A | 0.0000 | |
| 293 | E | A | -2.0058 | |
| 294 | T | A | -1.2283 | |
| 295 | C | A | -0.6762 | |
| 296 | K | A | -0.7173 | |
| 297 | V | A | -0.5130 | |
| 298 | Q | A | 0.0000 | |
| 299 | S | A | -1.0955 | |
| 300 | N | A | -1.4675 | |
| 301 | R | A | -0.7598 | |
| 302 | V | A | 0.0000 | |
| 303 | F | A | 0.0000 | |
| 304 | C | A | 0.0000 | |
| 305 | D | A | -0.3271 | |
| 306 | T | A | 0.0000 | |
| 307 | M | A | -0.1721 | |
| 308 | N | A | -0.7819 | |
| 309 | S | A | -0.2478 | |
| 310 | L | A | 0.0460 | |
| 311 | T | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | P | A | -0.3602 | |
| 314 | P | A | -0.3682 | mutated: SP314A |
| 315 | E | A | 0.0000 | |
| 316 | V | A | 0.0000 | |
| 317 | N | A | -1.0842 | |
| 318 | L | A | -0.2723 | |
| 319 | C | A | 0.0000 | |
| 320 | N | A | -0.7406 | |
| 321 | V | A | 0.0000 | |
| 322 | D | A | -1.3271 | |
| 323 | I | A | 0.2378 | |
| 324 | F | A | 0.0000 | |
| 325 | N | A | -0.5764 | |
| 326 | P | A | -0.3951 | |
| 327 | K | A | -0.2570 | |
| 328 | Y | A | 0.3638 | |
| 329 | D | A | -0.1463 | |
| 330 | C | A | 0.0000 | |
| 331 | K | A | -0.6777 | |
| 332 | I | A | 0.0000 | |
| 333 | M | A | -0.1738 | |
| 334 | T | A | 0.0000 | |
| 335 | S | A | 0.0000 | |
| 336 | K | A | 0.0000 | |
| 337 | T | A | -0.4172 | |
| 338 | D | A | -0.6166 | |
| 339 | V | A | 0.2371 | |
| 340 | S | A | 0.0000 | |
| 341 | S | A | 0.0407 | |
| 342 | S | A | 0.1533 | |
| 343 | V | A | 0.1895 | |
| 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 | 0.0000 | |
| 355 | G | A | -1.9265 | |
| 356 | K | A | -2.0400 | |
| 357 | T | A | 0.0000 | |
| 358 | K | A | -2.3593 | |
| 359 | C | A | 0.0000 | |
| 360 | T | A | -0.4738 | |
| 361 | A | A | 0.0000 | |
| 362 | S | A | -0.0721 | |
| 363 | N | A | -1.3716 | |
| 364 | K | A | -1.8174 | |
| 365 | N | A | -2.8807 | |
| 366 | R | A | -2.4028 | |
| 367 | G | A | -0.8862 | |
| 368 | I | A | 1.2029 | |
| 369 | I | A | 1.5438 | |
| 370 | K | A | -0.2940 | |
| 371 | T | A | -0.6033 | |
| 372 | F | A | -0.9380 | |
| 373 | S | A | -1.4405 | |
| 374 | N | A | -1.6369 | |
| 375 | G | A | -1.0369 | |
| 376 | C | A | 0.0000 | |
| 377 | D | A | 0.0000 | |
| 378 | Y | A | 0.0000 | |
| 379 | V | A | -0.0786 | |
| 380 | S | A | -1.0662 | |
| 381 | N | A | -2.3725 | |
| 382 | K | A | -3.0647 | |
| 383 | G | A | -2.5205 | |
| 384 | V | A | 0.0000 | |
| 385 | D | A | 0.0000 | |
| 386 | T | A | -0.2375 | |
| 387 | V | A | 0.0000 | |
| 388 | S | A | -0.3295 | |
| 389 | V | A | 0.0000 | |
| 390 | G | A | -1.0316 | |
| 391 | N | A | -0.5161 | |
| 392 | T | A | -0.1312 | |
| 393 | L | A | 0.2102 | |
| 394 | Y | A | 0.0000 | |
| 395 | Y | A | 0.0000 | |
| 396 | V | A | 0.0000 | |
| 397 | N | A | 0.0000 | |
| 398 | K | A | -1.5547 | |
| 399 | Q | A | -1.6076 | |
| 400 | E | A | -2.4217 | |
| 401 | G | A | -2.5879 | |
| 402 | K | A | -2.4127 | |
| 403 | S | A | -1.0518 | |
| 404 | L | A | 0.5153 | |
| 405 | Y | A | 1.0748 | |
| 406 | V | A | 0.1601 | |
| 407 | K | A | -1.3834 | |
| 408 | G | A | -1.4905 | |
| 409 | E | A | 0.0000 | |
| 410 | P | A | 0.2390 | |
| 411 | I | A | 0.0000 | |
| 412 | I | A | 1.7862 | |
| 413 | N | A | 0.4639 | |
| 414 | F | A | 0.4471 | |
| 415 | Y | A | 0.0000 | |
| 416 | D | A | -1.3020 | |
| 417 | P | A | -0.3560 | |
| 418 | L | A | -0.1030 | |
| 419 | V | A | 0.4462 | |
| 420 | F | A | 0.6628 | |
| 421 | P | A | 0.0000 | |
| 422 | S | A | -0.0877 | |
| 423 | D | A | -0.3450 | |
| 424 | Q | A | 0.0000 | mutated: EQ424A |
| 425 | F | A | -0.0043 | |
| 426 | D | A | -0.6050 | |
| 427 | A | A | 0.0000 | |
| 428 | S | A | 0.0000 | |
| 429 | I | A | 0.0000 | |
| 430 | S | A | 0.0000 | |
| 431 | Q | A | 0.0000 | |
| 432 | V | A | 0.0000 | |
| 433 | N | A | -1.5059 | |
| 434 | E | A | -2.0373 | |
| 435 | K | A | -1.1510 | |
| 436 | I | A | -0.8037 | |
| 437 | N | A | -1.3668 | |
| 438 | Q | A | -0.8659 | |
| 439 | S | A | 0.0000 | |
| 440 | L | A | 0.2440 | |
| 441 | A | A | -0.4957 | |
| 442 | W | A | -0.1012 | mutated: FW442A |
| 443 | I | A | -0.3514 | |
| 444 | R | A | -1.9666 | |
| 445 | K | A | -1.3057 | |
| 446 | F | A | -0.7150 | mutated: SF446A |
| 447 | D | A | -1.7289 | |
| 448 | E | A | -1.5896 | |
| 449 | L | A | 0.2080 | |
| 450 | L | A | 0.0649 | |
| 451 | H | A | -0.7379 | |
| 1 | Q | B | -2.1578 | |
| 2 | N | B | -2.5076 | |
| 3 | I | B | 0.0000 | |
| 4 | T | B | -1.5697 | |
| 5 | E | B | 0.0000 | |
| 6 | E | B | -0.0967 | |
| 7 | F | B | 0.0000 | |
| 8 | Y | B | 0.0000 | |
| 9 | Q | B | -0.6721 | |
| 10 | S | B | -0.9305 | |
| 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 | -1.2021 | |
| 18 | G | B | -1.3130 | |
| 19 | Y | B | 0.0000 | |
| 20 | L | B | -0.4003 | |
| 21 | S | B | 0.0000 | |
| 22 | A | B | 0.0000 | |
| 23 | L | B | 0.0000 | |
| 24 | R | B | 0.0000 | |
| 25 | T | B | 0.2071 | |
| 26 | G | B | 0.3353 | |
| 27 | W | B | 0.8339 | |
| 28 | Y | B | 0.8301 | |
| 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 | -1.8989 | |
| 38 | N | B | 0.0000 | |
| 39 | I | B | 0.0000 | |
| 40 | K | B | -2.7348 | |
| 41 | E | B | -3.0586 | |
| 42 | P | B | -2.4715 | mutated: NP42B |
| 43 | K | B | -2.8891 | |
| 44 | C | B | 0.0000 | |
| 45 | N | B | -2.6898 | |
| 46 | G | B | -2.0764 | |
| 47 | T | B | -1.3611 | |
| 48 | D | B | -1.7557 | |
| 49 | A | B | -1.6535 | |
| 50 | K | B | -1.4035 | |
| 51 | V | B | 0.0000 | |
| 52 | K | B | -2.5175 | |
| 53 | L | B | 0.0000 | |
| 54 | I | B | 0.0000 | |
| 55 | K | B | -1.6424 | |
| 56 | Q | B | -1.3406 | |
| 57 | E | B | 0.0000 | |
| 58 | L | B | 0.0000 | |
| 59 | D | B | -1.1992 | |
| 60 | K | B | -1.0890 | |
| 61 | Y | B | 0.0000 | |
| 62 | K | B | -1.5213 | |
| 63 | N | B | -1.0350 | |
| 64 | A | B | 0.0000 | |
| 65 | V | B | 0.0000 | |
| 66 | T | B | -0.8097 | |
| 67 | E | B | 0.0000 | |
| 68 | L | B | 0.0000 | |
| 69 | Q | B | -1.0713 | |
| 70 | L | B | -0.4460 | |
| 71 | L | B | 0.0000 | |
| 72 | M | B | -0.7151 | |
| 73 | Q | B | -1.0961 | |
| 74 | S | B | 0.0000 | |
| 75 | T | B | -0.4544 | |
| 76 | P | B | -0.3919 | |
| 77 | A | B | -0.9050 | |
| 78 | A | B | -0.5231 | |
| 79 | G | B | 0.0000 | |
| 80 | G | B | -0.9566 | |
| 81 | G | B | 0.0000 | |
| 82 | G | B | -0.2911 | |
| 83 | S | B | 0.0000 | |
| 84 | A | B | 0.5813 | |
| 85 | I | B | 0.8896 | |
| 86 | A | B | 0.0000 | |
| 87 | S | B | 0.1366 | |
| 88 | G | B | 0.0000 | |
| 89 | I | B | 0.0000 | |
| 90 | A | B | -0.4516 | |
| 91 | V | B | 0.0000 | |
| 92 | S | B | 0.0000 | |
| 93 | K | B | -0.8083 | |
| 94 | C | B | -0.0872 | mutated: VC94B |
| 95 | L | B | 0.0000 | |
| 96 | H | B | -0.5280 | |
| 97 | L | B | 0.5493 | |
| 98 | E | B | -1.1595 | |
| 99 | G | B | -0.9745 | |
| 100 | E | B | 0.0000 | |
| 101 | V | B | 0.0000 | |
| 102 | N | B | -1.7491 | |
| 103 | K | B | -1.7849 | |
| 104 | I | B | 0.0000 | |
| 105 | K | B | -1.0419 | |
| 106 | S | B | -0.5790 | |
| 107 | A | B | -0.0422 | |
| 108 | L | B | 0.1489 | |
| 109 | L | B | 1.0613 | |
| 110 | S | B | 0.0965 | |
| 111 | T | B | -0.2091 | |
| 112 | N | B | -0.1884 | |
| 113 | K | B | -1.0362 | |
| 114 | A | B | 0.4115 | |
| 115 | V | B | 1.4019 | |
| 116 | V | B | 0.6142 | |
| 117 | S | B | 0.2008 | |
| 118 | L | B | 0.0000 | |
| 119 | S | B | -0.1034 | |
| 120 | C | B | 0.2877 | mutated: NC120B |
| 121 | G | B | -0.2305 | |
| 122 | V | B | 0.3879 | |
| 123 | S | B | 0.4599 | |
| 124 | V | B | 0.0000 | |
| 125 | L | B | 0.6724 | |
| 126 | T | B | 0.0000 | |
| 127 | S | B | -0.2308 | |
| 128 | K | B | -0.4210 | |
| 129 | V | B | -0.0826 | |
| 130 | L | B | 0.0000 | |
| 131 | D | B | -0.6836 | |
| 132 | L | B | 0.0000 | |
| 133 | K | B | -2.5373 | |
| 134 | N | B | -2.6197 | |
| 135 | Y | B | -1.3904 | |
| 136 | I | B | 0.0000 | |
| 137 | D | B | -2.4222 | |
| 138 | K | B | -2.7053 | |
| 139 | Q | B | -1.8818 | |
| 140 | L | B | 0.0000 | |
| 141 | L | B | -0.7857 | |
| 142 | P | B | -1.2682 | |
| 143 | I | B | 0.0000 | |
| 144 | V | B | 0.0000 | |
| 145 | N | B | -2.4923 | |
| 146 | K | B | -2.5376 | |
| 147 | Q | B | -2.8501 | |
| 148 | S | B | -2.0454 | |
| 149 | C | B | 0.0000 | |
| 150 | S | B | -1.1810 | |
| 151 | I | B | 0.0000 | |
| 152 | P | B | -0.5261 | mutated: SP152B |
| 153 | N | B | -0.7426 | |
| 154 | I | B | 0.0000 | |
| 155 | E | B | 0.0000 | |
| 156 | T | B | -0.5748 | |
| 157 | V | B | 0.0000 | |
| 158 | I | B | 0.0000 | |
| 159 | E | B | -1.2667 | |
| 160 | F | B | 0.0000 | |
| 161 | Q | B | 0.0000 | |
| 162 | Q | B | -0.8397 | |
| 163 | K | B | -0.6812 | |
| 164 | N | B | 0.0000 | |
| 165 | N | B | -0.5781 | |
| 166 | R | B | -0.5577 | |
| 167 | L | B | 0.0000 | |
| 168 | L | B | 0.0000 | |
| 169 | E | B | -0.5216 | |
| 170 | I | B | 0.0000 | |
| 171 | T | B | 0.0000 | |
| 172 | R | B | -0.4770 | |
| 173 | E | B | -0.5591 | |
| 174 | F | B | 0.0000 | |
| 175 | S | B | 0.0000 | |
| 176 | V | B | -0.2426 | |
| 177 | N | B | -0.7148 | |
| 178 | A | B | -0.4058 | |
| 179 | G | B | 0.0000 | |
| 180 | V | B | 0.1788 | |
| 181 | T | B | 0.0000 | |
| 182 | T | B | -0.1312 | |
| 183 | P | B | 0.0000 | |
| 184 | V | B | 0.0000 | |
| 185 | S | B | 0.0000 | |
| 186 | T | B | 0.0000 | |
| 187 | Y | B | 0.2057 | |
| 188 | M | B | 0.0000 | |
| 189 | L | B | 0.0000 | |
| 190 | T | B | 0.1572 | |
| 191 | N | B | 0.2017 | |
| 192 | S | B | 0.1835 | |
| 193 | E | B | -0.1799 | |
| 194 | L | B | 0.0000 | |
| 195 | L | B | 0.6916 | |
| 196 | S | B | -0.2317 | |
| 197 | L | B | 0.0000 | |
| 198 | I | B | 0.0000 | |
| 199 | N | B | -1.6355 | |
| 200 | D | B | -0.6424 | |
| 201 | M | B | 0.0000 | |
| 202 | P | B | -0.6245 | |
| 203 | I | B | -1.0251 | |
| 204 | T | B | -1.1519 | |
| 205 | N | B | -2.5828 | |
| 206 | D | B | -2.6840 | |
| 207 | Q | B | 0.0000 | |
| 208 | K | B | -2.1685 | |
| 209 | K | B | -2.6448 | |
| 210 | L | B | 0.0000 | |
| 211 | M | B | 0.0000 | |
| 212 | S | B | -0.9826 | |
| 213 | N | B | -1.1761 | |
| 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 | -0.1595 | |
| 219 | R | B | 0.0000 | |
| 220 | Q | B | -0.6712 | |
| 221 | Q | B | -0.4148 | |
| 222 | S | B | 0.0000 | |
| 223 | Y | B | 0.2733 | |
| 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 | -2.4638 | |
| 231 | E | B | -2.7392 | |
| 232 | E | B | -2.7371 | |
| 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 | 0.3248 | |
| 243 | Y | B | 0.0000 | |
| 244 | G | B | -0.1115 | |
| 245 | V | B | -0.0140 | |
| 246 | I | B | -0.5287 | |
| 247 | D | B | -1.6676 | |
| 248 | T | B | 0.0000 | |
| 249 | P | B | -0.7958 | |
| 250 | C | B | 0.0000 | |
| 251 | W | B | -0.0539 | |
| 252 | K | B | 0.0000 | |
| 253 | L | B | 0.0000 | |
| 254 | H | B | 0.0000 | |
| 255 | T | B | -0.7432 | |
| 256 | S | B | 0.0000 | |
| 257 | P | B | -0.1971 | |
| 258 | L | B | 0.0000 | |
| 259 | C | B | 0.0000 | |
| 260 | T | B | -0.1699 | |
| 261 | T | B | -0.6822 | |
| 262 | N | B | 0.0000 | |
| 263 | T | B | -1.2226 | |
| 264 | K | B | -2.0297 | |
| 265 | E | B | -1.7555 | |
| 266 | G | B | -1.1560 | |
| 267 | S | B | -0.7368 | |
| 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 | 0.0000 | |
| 275 | D | B | -2.5285 | |
| 276 | R | B | -2.6140 | |
| 277 | G | B | 0.0000 | |
| 278 | W | B | 0.0000 | |
| 279 | Y | B | 0.0000 | |
| 280 | C | B | 0.0000 | |
| 281 | D | B | -0.6608 | |
| 282 | N | B | -0.8352 | |
| 283 | A | B | -0.5571 | |
| 284 | G | B | -0.6357 | |
| 285 | S | B | -0.6770 | |
| 286 | V | B | 0.0000 | |
| 287 | S | B | 0.0000 | |
| 288 | F | B | -0.1178 | |
| 289 | F | B | 0.0000 | |
| 290 | P | B | -1.6519 | |
| 291 | Q | B | -2.4499 | |
| 292 | A | B | 0.0000 | |
| 293 | E | B | -2.0761 | |
| 294 | T | B | -1.2117 | |
| 295 | C | B | -0.7920 | |
| 296 | K | B | -0.6738 | |
| 297 | V | B | 0.0000 | |
| 298 | Q | B | -0.7493 | |
| 299 | S | B | -0.7909 | |
| 300 | N | B | -1.4196 | |
| 301 | R | B | -0.8685 | |
| 302 | V | B | 0.0000 | |
| 303 | F | B | 0.0000 | |
| 304 | C | B | 0.0000 | |
| 305 | D | B | -0.4484 | |
| 306 | T | B | 0.0000 | |
| 307 | M | B | -0.0049 | |
| 308 | N | B | -1.1909 | |
| 309 | S | B | 0.0000 | |
| 310 | L | B | -0.1393 | |
| 311 | T | B | -0.5635 | |
| 312 | L | B | 0.0000 | |
| 313 | P | B | -0.6473 | |
| 314 | P | B | -0.2917 | mutated: SP314B |
| 315 | E | B | -0.4176 | |
| 316 | V | B | 0.0000 | |
| 317 | N | B | 0.2407 | |
| 318 | L | B | 1.0803 | |
| 319 | C | B | 0.0000 | |
| 320 | N | B | -0.4386 | |
| 321 | V | B | -0.0886 | |
| 322 | D | B | -1.7459 | |
| 323 | I | B | -0.5708 | |
| 324 | F | B | 0.0000 | |
| 325 | N | B | -0.6677 | |
| 326 | P | B | -1.1951 | |
| 327 | K | B | -2.3690 | |
| 328 | Y | B | 0.0000 | |
| 329 | D | B | -1.1974 | |
| 330 | C | B | -0.8171 | |
| 331 | K | B | -0.9941 | |
| 332 | I | B | 0.0000 | |
| 333 | M | B | -0.2679 | |
| 334 | T | B | 0.0000 | |
| 335 | S | B | -0.1465 | |
| 336 | K | B | 0.0000 | |
| 337 | T | B | -0.0320 | |
| 338 | D | B | 0.0000 | |
| 339 | V | B | 0.0309 | |
| 340 | S | B | 0.0000 | |
| 341 | S | B | -0.2360 | |
| 342 | S | B | 0.1127 | |
| 343 | V | B | -0.0430 | |
| 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 | -0.6673 | |
| 356 | K | B | 0.0000 | |
| 357 | T | B | 0.0000 | |
| 358 | K | B | -2.0798 | |
| 359 | C | B | 0.0000 | |
| 360 | T | B | -0.1305 | |
| 361 | A | B | 0.0000 | |
| 362 | S | B | 0.0142 | |
| 363 | N | B | 0.0000 | |
| 364 | K | B | -2.1577 | |
| 365 | N | B | -2.7413 | |
| 366 | R | B | -2.4529 | |
| 367 | G | B | -1.1913 | |
| 368 | I | B | 0.3737 | |
| 369 | I | B | 1.6987 | |
| 370 | K | B | 0.3569 | |
| 371 | T | B | -0.2045 | |
| 372 | F | B | 0.0000 | |
| 373 | S | B | -1.2765 | |
| 374 | N | B | -1.6745 | |
| 375 | G | B | -1.1125 | |
| 376 | C | B | 0.0000 | |
| 377 | D | B | -0.6351 | |
| 378 | Y | B | 0.0000 | |
| 379 | V | B | 0.0000 | |
| 380 | S | B | 0.0000 | |
| 381 | N | B | -1.5777 | |
| 382 | K | B | -2.1155 | |
| 383 | G | B | -1.6865 | |
| 384 | V | B | 0.0000 | |
| 385 | D | B | -0.9608 | |
| 386 | T | B | -0.2636 | |
| 387 | V | B | 0.0000 | |
| 388 | S | B | -0.4575 | |
| 389 | V | B | 0.0000 | |
| 390 | G | B | -0.9829 | |
| 391 | N | B | -0.4779 | |
| 392 | T | B | 0.0000 | |
| 393 | L | B | 0.0873 | |
| 394 | Y | B | 0.0000 | |
| 395 | Y | B | 0.0548 | |
| 396 | V | B | 0.0000 | |
| 397 | N | B | -0.3953 | |
| 398 | K | B | 0.0000 | |
| 399 | Q | B | -0.9319 | |
| 400 | E | B | -1.9714 | |
| 401 | G | B | -2.1118 | |
| 402 | K | B | -2.3155 | |
| 403 | S | B | -0.8203 | |
| 404 | L | B | 0.8212 | |
| 405 | Y | B | 1.3057 | |
| 406 | V | B | 0.1777 | |
| 407 | K | B | -1.4952 | |
| 408 | G | B | -1.8091 | |
| 409 | E | B | -1.9517 | |
| 410 | P | B | -0.9042 | |
| 411 | I | B | 0.0000 | |
| 412 | I | B | -0.0240 | |
| 413 | N | B | -0.3217 | |
| 414 | F | B | 1.2015 | |
| 415 | Y | B | 0.0000 | |
| 416 | D | B | 0.2614 | |
| 417 | P | B | 0.4246 | |
| 418 | L | B | 1.0389 | |
| 419 | V | B | 0.6581 | |
| 420 | F | B | 0.0000 | |
| 421 | P | B | 0.0000 | |
| 422 | S | B | -0.0488 | |
| 423 | D | B | -0.3734 | |
| 424 | Q | B | -0.2305 | mutated: EQ424B |
| 425 | F | B | -0.0503 | |
| 426 | D | B | -0.4980 | |
| 427 | A | B | 0.0000 | |
| 428 | S | B | 0.0000 | |
| 429 | I | B | 0.0000 | |
| 430 | S | B | -1.5061 | |
| 431 | Q | B | 0.0000 | |
| 432 | V | B | 0.0000 | |
| 433 | N | B | -1.6623 | |
| 434 | E | B | -2.6355 | |
| 435 | K | B | -1.6608 | |
| 436 | I | B | -0.9006 | |
| 437 | N | B | -1.3455 | |
| 438 | Q | B | -0.7300 | |
| 439 | S | B | -0.0761 | |
| 440 | L | B | 0.2703 | |
| 441 | A | B | -0.3187 | |
| 442 | W | B | -0.1204 | mutated: FW442B |
| 443 | I | B | -0.2481 | |
| 444 | R | B | -2.0572 | |
| 445 | K | B | -1.2882 | |
| 446 | F | B | -0.6785 | mutated: SF446B |
| 447 | D | B | -2.0913 | |
| 448 | E | B | -1.7600 | |
| 449 | L | B | -0.3075 | |
| 450 | L | B | 0.2386 | |
| 451 | H | B | -1.0310 | |
| 1 | Q | C | -1.2824 | |
| 2 | N | C | 0.0000 | |
| 3 | I | C | 0.7837 | |
| 4 | T | C | -0.1364 | |
| 5 | E | C | 0.0000 | |
| 6 | E | C | 0.3079 | |
| 7 | F | C | 0.0000 | |
| 8 | Y | C | 0.0000 | |
| 9 | Q | C | 0.0000 | |
| 10 | S | C | -0.6289 | |
| 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 | -0.7324 | |
| 18 | G | C | -0.0761 | |
| 19 | Y | C | 0.0000 | |
| 20 | L | C | 0.6163 | |
| 21 | S | C | 0.0000 | |
| 22 | A | C | 0.0000 | |
| 23 | L | C | 0.0000 | |
| 24 | R | C | 0.0000 | |
| 25 | T | C | 0.2267 | |
| 26 | G | C | 0.2081 | |
| 27 | W | C | 0.3504 | |
| 28 | Y | C | 0.3341 | |
| 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 | -1.7190 | |
| 36 | L | C | 0.0000 | |
| 37 | S | C | -1.9526 | |
| 38 | N | C | -2.4444 | |
| 39 | I | C | -2.6441 | |
| 40 | K | C | -3.3859 | |
| 41 | E | C | -3.5583 | |
| 42 | P | C | -3.2665 | mutated: NP42C |
| 43 | K | C | -3.8964 | |
| 44 | C | C | 0.0000 | |
| 45 | N | C | -3.2835 | |
| 46 | G | C | -2.4075 | |
| 47 | T | C | -1.4073 | |
| 48 | D | C | -1.7822 | |
| 49 | A | C | -1.4123 | |
| 50 | K | C | -1.5561 | |
| 51 | V | C | 0.0000 | |
| 52 | K | C | -2.4188 | |
| 53 | L | C | 0.0000 | |
| 54 | I | C | 0.0000 | |
| 55 | K | C | -2.7786 | |
| 56 | Q | C | -2.0806 | |
| 57 | E | C | 0.0000 | |
| 58 | L | C | 0.0000 | |
| 59 | D | C | -1.9197 | |
| 60 | K | C | -1.4461 | |
| 61 | Y | C | -1.4858 | |
| 62 | K | C | -2.6163 | |
| 63 | N | C | -1.5406 | |
| 64 | A | C | 0.0000 | |
| 65 | V | C | -1.1377 | |
| 66 | T | C | -0.6482 | |
| 67 | E | C | 0.0000 | |
| 68 | L | C | 0.0000 | |
| 69 | Q | C | -0.7481 | |
| 70 | L | C | -0.4058 | |
| 71 | L | C | 0.0000 | |
| 72 | M | C | 0.0000 | |
| 73 | Q | C | -1.3892 | |
| 74 | S | C | -0.8943 | |
| 75 | T | C | -0.5044 | |
| 76 | P | C | 0.0000 | |
| 77 | A | C | -0.1381 | |
| 78 | A | C | 0.0000 | |
| 79 | G | C | 0.0000 | |
| 80 | G | C | 0.0000 | |
| 81 | G | C | 0.0000 | |
| 82 | G | C | -0.3179 | |
| 83 | S | C | -0.1532 | |
| 84 | A | C | 0.2234 | |
| 85 | I | C | 0.2833 | |
| 86 | A | C | 0.0000 | |
| 87 | S | C | -0.0853 | |
| 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 | -0.4266 | |
| 94 | C | C | 0.0000 | mutated: VC94C |
| 95 | L | C | 0.0000 | |
| 96 | H | C | -1.1343 | |
| 97 | L | C | -0.0406 | |
| 98 | E | C | -1.8377 | |
| 99 | G | C | -1.8974 | |
| 100 | E | C | 0.0000 | |
| 101 | V | C | 0.0000 | |
| 102 | N | C | -2.8182 | |
| 103 | K | C | -2.8616 | |
| 104 | I | C | 0.0000 | |
| 105 | K | C | -2.1956 | |
| 106 | S | C | -1.3284 | |
| 107 | A | C | -0.4934 | |
| 108 | L | C | -0.3110 | |
| 109 | L | C | 0.7661 | |
| 110 | S | C | 0.1984 | |
| 111 | T | C | -0.1468 | |
| 112 | N | C | -0.8183 | |
| 113 | K | C | -0.3169 | |
| 114 | A | C | 0.7837 | |
| 115 | V | C | 1.6994 | |
| 116 | V | C | 0.7568 | |
| 117 | S | C | 0.2829 | |
| 118 | L | C | 0.0000 | |
| 119 | S | C | -0.6846 | |
| 120 | C | C | -1.1179 | mutated: NC120C |
| 121 | G | C | -1.3805 | |
| 122 | V | C | 0.0000 | |
| 123 | S | C | 0.2179 | |
| 124 | V | C | 0.0000 | |
| 125 | L | C | 0.0000 | |
| 126 | T | C | 0.0000 | |
| 127 | S | C | 0.0000 | |
| 128 | K | C | -0.8689 | |
| 129 | V | C | -0.2409 | |
| 130 | L | C | -0.4323 | |
| 131 | D | C | -1.1976 | |
| 132 | L | C | 0.0000 | |
| 133 | K | C | -2.8615 | |
| 134 | N | C | -2.7020 | |
| 135 | Y | C | -1.2861 | |
| 136 | I | C | 0.0000 | |
| 137 | D | C | -2.8181 | |
| 138 | K | C | -2.9212 | |
| 139 | Q | C | -2.1660 | |
| 140 | L | C | 0.0000 | |
| 141 | L | C | -1.8758 | |
| 142 | P | C | -1.6122 | |
| 143 | I | C | 0.0000 | |
| 144 | V | C | 0.0000 | |
| 145 | N | C | -3.1337 | |
| 146 | K | C | -3.0598 | |
| 147 | Q | C | -3.0712 | |
| 148 | S | C | -2.3089 | |
| 149 | C | C | 0.0000 | |
| 150 | S | C | -1.1568 | |
| 151 | I | C | 0.0000 | |
| 152 | P | C | -0.6074 | mutated: SP152C |
| 153 | N | C | -0.8511 | |
| 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 | -0.7298 | |
| 160 | F | C | 0.0000 | |
| 161 | Q | C | -0.4596 | |
| 162 | Q | C | 0.0000 | |
| 163 | K | C | 0.0000 | |
| 164 | N | C | 0.0000 | |
| 165 | N | C | -0.4556 | |
| 166 | R | C | -0.4012 | |
| 167 | L | C | 0.0000 | |
| 168 | L | C | -0.2620 | |
| 169 | E | C | -0.4095 | |
| 170 | I | C | 0.0000 | |
| 171 | T | C | 0.0000 | |
| 172 | R | C | -0.5020 | |
| 173 | E | C | -0.4237 | |
| 174 | F | C | 0.0000 | |
| 175 | S | C | 0.0000 | |
| 176 | V | C | -0.2125 | |
| 177 | N | C | -0.6193 | |
| 178 | A | C | 0.0000 | |
| 179 | G | C | 0.0000 | |
| 180 | V | C | 0.1337 | |
| 181 | T | C | 0.0000 | |
| 182 | T | C | -0.0394 | |
| 183 | P | C | -0.1400 | |
| 184 | V | C | 0.0000 | |
| 185 | S | C | -0.0480 | |
| 186 | T | C | -0.2002 | |
| 187 | Y | C | 0.0000 | |
| 188 | M | C | -0.0633 | |
| 189 | L | C | 0.0000 | |
| 190 | T | C | -0.2893 | |
| 191 | N | C | 0.0000 | |
| 192 | S | C | -0.2262 | |
| 193 | E | C | -0.3505 | |
| 194 | L | C | 0.0000 | |
| 195 | L | C | 0.2339 | |
| 196 | S | C | -0.3807 | |
| 197 | L | C | 0.0000 | |
| 198 | I | C | 0.0000 | |
| 199 | N | C | -1.4712 | |
| 200 | D | C | 0.0000 | |
| 201 | M | C | 0.0000 | |
| 202 | P | C | -0.4383 | |
| 203 | I | C | -0.8637 | |
| 204 | T | C | -1.3038 | |
| 205 | N | C | -2.3651 | |
| 206 | D | C | -2.4022 | |
| 207 | Q | C | 0.0000 | |
| 208 | K | C | -2.5587 | |
| 209 | K | C | -2.9019 | |
| 210 | L | C | -1.5553 | |
| 211 | M | C | 0.0000 | |
| 212 | S | C | -1.1638 | |
| 213 | N | C | -0.9974 | |
| 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 | -0.5189 | |
| 221 | Q | C | -0.3099 | |
| 222 | S | C | 0.0000 | |
| 223 | Y | C | 0.2238 | |
| 224 | S | C | 0.0000 | |
| 225 | I | C | 0.0000 | |
| 226 | M | C | 0.0000 | |
| 227 | S | C | 0.0000 | |
| 228 | I | C | 0.0000 | |
| 229 | I | C | -1.1412 | |
| 230 | K | C | -2.3379 | |
| 231 | E | C | -2.9264 | |
| 232 | E | C | -2.5388 | |
| 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 | 0.4444 | |
| 243 | Y | C | 0.0000 | |
| 244 | G | C | 0.0328 | |
| 245 | V | C | 0.1498 | |
| 246 | I | C | -0.2212 | |
| 247 | D | C | -1.2622 | |
| 248 | T | C | 0.0000 | |
| 249 | P | C | -0.1915 | |
| 250 | C | C | 0.0000 | |
| 251 | W | C | -0.1777 | |
| 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 | -0.0209 | |
| 258 | L | C | 0.0000 | |
| 259 | C | C | 0.0000 | |
| 260 | T | C | -0.2557 | |
| 261 | T | C | -0.5501 | |
| 262 | N | C | -1.0720 | |
| 263 | T | C | -1.2375 | |
| 264 | K | C | -2.2290 | |
| 265 | E | C | 0.0000 | |
| 266 | G | C | -1.4613 | |
| 267 | S | C | -1.0071 | |
| 268 | N | C | 0.0000 | |
| 269 | I | C | 0.0000 | |
| 270 | C | C | 0.0000 | |
| 271 | L | C | 0.0000 | |
| 272 | T | C | -0.1175 | |
| 273 | R | C | 0.0000 | |
| 274 | T | C | -1.0972 | |
| 275 | D | C | -2.3834 | |
| 276 | R | C | -2.0964 | |
| 277 | G | C | 0.0000 | |
| 278 | W | C | 0.0000 | |
| 279 | Y | C | 0.0000 | |
| 280 | C | C | 0.0000 | |
| 281 | D | C | 0.0000 | |
| 282 | N | C | -0.5797 | |
| 283 | A | C | -0.3228 | |
| 284 | G | C | -0.6340 | |
| 285 | S | C | -0.4903 | |
| 286 | V | C | 0.0000 | |
| 287 | S | C | 0.0000 | |
| 288 | F | C | 0.0000 | |
| 289 | F | C | 0.0000 | |
| 290 | P | C | -1.6873 | |
| 291 | Q | C | -2.4910 | |
| 292 | A | C | 0.0000 | |
| 293 | E | C | -2.5226 | |
| 294 | T | C | -1.5798 | |
| 295 | C | C | 0.0000 | |
| 296 | K | C | -1.5695 | |
| 297 | V | C | 0.0000 | |
| 298 | Q | C | 0.0000 | |
| 299 | S | C | -0.8140 | |
| 300 | N | C | -0.6579 | |
| 301 | R | C | -0.6826 | |
| 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 | -0.0408 | |
| 308 | N | C | -0.9468 | |
| 309 | S | C | -0.4288 | |
| 310 | L | C | 0.0258 | |
| 311 | T | C | -0.1977 | |
| 312 | L | C | 0.0000 | |
| 313 | P | C | -0.5381 | |
| 314 | P | C | -0.3287 | mutated: SP314C |
| 315 | E | C | -0.3010 | |
| 316 | V | C | 0.0000 | |
| 317 | N | C | 0.4328 | |
| 318 | L | C | 1.3183 | |
| 319 | C | C | 0.8017 | |
| 320 | N | C | 0.2401 | |
| 321 | V | C | 0.7739 | |
| 322 | D | C | -0.2732 | |
| 323 | I | C | 0.0000 | |
| 324 | F | C | 0.3028 | |
| 325 | N | C | -0.6491 | |
| 326 | P | C | -1.1655 | |
| 327 | K | C | -1.7500 | |
| 328 | Y | C | -1.1877 | |
| 329 | D | C | 0.0000 | |
| 330 | C | C | 0.0000 | |
| 331 | K | C | -0.5490 | |
| 332 | I | C | 0.0000 | |
| 333 | M | C | -0.0791 | |
| 334 | T | C | 0.0000 | |
| 335 | S | C | -0.1366 | |
| 336 | K | C | 0.0000 | |
| 337 | T | C | -0.2920 | |
| 338 | D | C | 0.0000 | |
| 339 | V | C | 0.1375 | |
| 340 | S | C | 0.0000 | |
| 341 | S | C | -0.1566 | |
| 342 | S | C | 0.1760 | |
| 343 | V | C | 0.4634 | |
| 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 | -1.4035 | |
| 356 | K | C | -1.4829 | |
| 357 | T | C | 0.0000 | |
| 358 | K | C | -2.0753 | |
| 359 | C | C | 0.0000 | |
| 360 | T | C | 0.0023 | |
| 361 | A | C | 0.0000 | |
| 362 | S | C | -0.1404 | |
| 363 | N | C | 0.0000 | |
| 364 | K | C | -2.3807 | |
| 365 | N | C | -2.5301 | |
| 366 | R | C | -2.7504 | |
| 367 | G | C | -1.3602 | |
| 368 | I | C | 0.0912 | |
| 369 | I | C | 1.3800 | |
| 370 | K | C | 0.5118 | |
| 371 | T | C | -0.0323 | |
| 372 | F | C | -0.3546 | |
| 373 | S | C | -1.0324 | |
| 374 | N | C | -0.8477 | |
| 375 | G | C | -0.4427 | |
| 376 | C | C | 0.0000 | |
| 377 | D | C | 0.0000 | |
| 378 | Y | C | 0.0000 | |
| 379 | V | C | 0.2567 | |
| 380 | S | C | 0.0000 | |
| 381 | N | C | -1.6893 | |
| 382 | K | C | -3.0343 | |
| 383 | G | C | 0.0000 | |
| 384 | V | C | 0.0000 | |
| 385 | D | C | -1.2840 | |
| 386 | T | C | -0.1480 | |
| 387 | V | C | 0.0000 | |
| 388 | S | C | -0.2883 | |
| 389 | V | C | 0.0000 | |
| 390 | G | C | 0.0000 | |
| 391 | N | C | -1.2191 | |
| 392 | T | C | 0.0000 | |
| 393 | L | C | 0.4480 | |
| 394 | Y | C | 0.0000 | |
| 395 | Y | C | 0.3868 | |
| 396 | V | C | 0.0000 | |
| 397 | N | C | 0.0000 | |
| 398 | K | C | -2.2833 | |
| 399 | Q | C | 0.0000 | |
| 400 | E | C | 0.0000 | |
| 401 | G | C | -1.4262 | |
| 402 | K | C | -1.6534 | |
| 403 | S | C | -0.0919 | |
| 404 | L | C | 1.7318 | |
| 405 | Y | C | 2.0778 | |
| 406 | V | C | 0.9710 | |
| 407 | K | C | -0.8169 | |
| 408 | G | C | -1.1020 | |
| 409 | E | C | -1.2935 | |
| 410 | P | C | -0.7028 | |
| 411 | I | C | 0.0000 | |
| 412 | I | C | -0.0600 | |
| 413 | N | C | -1.0037 | |
| 414 | F | C | 0.6266 | |
| 415 | Y | C | 0.0000 | |
| 416 | D | C | -1.5773 | |
| 417 | P | C | -0.8196 | |
| 418 | L | C | 0.1736 | |
| 419 | V | C | 0.6880 | |
| 420 | F | C | 0.3077 | |
| 421 | P | C | -0.2965 | |
| 422 | S | C | 0.0000 | |
| 423 | D | C | -0.4005 | |
| 424 | Q | C | -0.1907 | mutated: EQ424C |
| 425 | F | C | 0.2296 | |
| 426 | D | C | -0.1506 | |
| 427 | A | C | 0.0000 | |
| 428 | S | C | 0.0000 | |
| 429 | I | C | 0.0000 | |
| 430 | S | C | -1.2636 | |
| 431 | Q | C | 0.0000 | |
| 432 | V | C | 0.0000 | |
| 433 | N | C | -1.2339 | |
| 434 | E | C | -1.1020 | |
| 435 | K | C | -0.8786 | |
| 436 | I | C | -0.6362 | |
| 437 | N | C | -0.8025 | |
| 438 | Q | C | -0.6091 | |
| 439 | S | C | -0.0855 | |
| 440 | L | C | -0.2459 | |
| 441 | A | C | -0.7715 | |
| 442 | W | C | -0.5720 | mutated: FW442C |
| 443 | I | C | -1.0096 | |
| 444 | R | C | -2.5972 | |
| 445 | K | C | -1.8348 | |
| 446 | F | C | 0.0000 | mutated: SF446C |
| 447 | D | C | -2.5228 | |
| 448 | E | C | -2.5750 | |
| 449 | L | C | -0.5014 | |
| 450 | L | C | -0.6908 | |
| 451 | H | C | -1.6453 |
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, -0.5065 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 | -0.5065 | View | CSV | PDB |
| model_8 | -0.5141 | View | CSV | PDB |
| model_1 | -0.5146 | View | CSV | PDB |
| model_7 | -0.5174 | View | CSV | PDB |
| model_5 | -0.5258 | View | CSV | PDB |
| model_6 | -0.5267 | View | CSV | PDB |
| model_3 | -0.5271 | View | CSV | PDB |
| CABS_average | -0.5271 | View | CSV | PDB |
| model_9 | -0.5322 | View | CSV | PDB |
| model_11 | -0.5327 | View | CSV | PDB |
| model_10 | -0.5341 | View | CSV | PDB |
| model_4 | -0.5451 | View | CSV | PDB |
| model_2 | -0.5495 | View | CSV | PDB |
| input | -0.6299 | 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