Project name: RSV_mut_sd [mutate: VC94A, NC120A, VC94C, NC120C, VC94B, NC120B, NP42A, NP42C, NP42B, QP216A, QP216C, QP216B, SP314A, SP314C, SP314B, SP152A, SP152C, SP152B, SF446A, SF446C, SF446B, FW442A, FW442C, FW442B]
Status: done
Started: 2025-12-11 16:28:43
| 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,SP152A,SP152C,VC94C,SP314C,NC120B,QP216B,SP314B,SF446C,FW442C,NP42C,NP42A,NC120A,NP42B,QP216C,SF446B,NC120C |
| Energy difference between WT (input) and mutated protein (by FoldX) | -19.5451 kcal/mol |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] FoldX: Building mutant model (00:44:10)
[INFO] CABS: Running CABS flex simulation (01:03:20)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (10:12:26)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (10:12:55)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (10:13:24)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (10:13:55)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (10:14:25)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (10:14:54)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (10:15:24)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (10:15:53)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (10:16:24)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (10:16:54)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (10:17:31)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (10:18:07)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (10:18:44)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (10:20:00)
[INFO] Main: Simulation completed successfully. (10:20:40)
|
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
- -3.9638
- Maximal score value
- 2.2842
- Average score
- -0.4738
- Total score value
- -641.0718
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 | -1.6809 | |
| 2 | N | A | -1.7623 | |
| 3 | I | A | 0.0000 | |
| 4 | T | A | -1.1768 | |
| 5 | E | A | 0.0000 | |
| 6 | E | A | -0.5060 | |
| 7 | F | A | 0.0000 | |
| 8 | Y | A | -0.5752 | |
| 9 | Q | A | 0.0000 | |
| 10 | S | A | -0.7036 | |
| 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 | -1.0503 | |
| 18 | G | A | -0.8610 | |
| 19 | Y | A | 0.0000 | |
| 20 | L | A | -0.9020 | |
| 21 | S | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | R | A | 0.0000 | |
| 25 | T | A | 0.1031 | |
| 26 | G | A | 0.0000 | |
| 27 | W | A | 0.3502 | |
| 28 | Y | A | 0.3019 | |
| 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 | 0.0000 | |
| 38 | N | A | -2.1469 | |
| 39 | I | A | -2.3855 | |
| 40 | K | A | -3.1700 | |
| 41 | E | A | -3.4193 | |
| 42 | P | A | -2.2377 | mutated: NP42A |
| 43 | K | A | -3.0356 | |
| 44 | C | A | 0.0000 | |
| 45 | N | A | -2.5912 | |
| 46 | G | A | -1.8399 | |
| 47 | T | A | -1.0211 | |
| 48 | D | A | -0.9262 | |
| 49 | A | A | -0.8561 | |
| 50 | K | A | -1.1922 | |
| 51 | V | A | 0.0000 | |
| 52 | K | A | -1.7482 | |
| 53 | L | A | 0.0000 | |
| 54 | I | A | 0.0000 | |
| 55 | K | A | -2.9728 | |
| 56 | Q | A | -1.8577 | |
| 57 | E | A | 0.0000 | |
| 58 | L | A | -2.1629 | |
| 59 | D | A | -2.7187 | |
| 60 | K | A | -1.8772 | |
| 61 | Y | A | 0.0000 | |
| 62 | K | A | -2.3570 | |
| 63 | N | A | -1.7172 | |
| 64 | A | A | 0.0000 | |
| 65 | V | A | -0.9133 | |
| 66 | T | A | -0.8215 | |
| 67 | E | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | Q | A | -1.4213 | |
| 70 | L | A | -0.1374 | |
| 71 | L | A | 0.0000 | |
| 72 | M | A | -0.6519 | |
| 73 | Q | A | -1.3177 | |
| 74 | S | A | 0.0000 | |
| 75 | T | A | -0.3092 | |
| 76 | P | A | -0.2712 | |
| 77 | A | A | -0.3787 | |
| 78 | A | A | -0.2932 | |
| 79 | G | A | 0.0000 | |
| 80 | G | A | -0.9985 | |
| 81 | G | A | -0.9078 | |
| 82 | G | A | -1.6493 | |
| 83 | S | A | -0.7409 | |
| 84 | A | A | -0.0111 | |
| 85 | I | A | 0.3765 | |
| 86 | A | A | 0.0000 | |
| 87 | S | A | 0.2748 | |
| 88 | G | A | 0.0000 | |
| 89 | I | A | 0.1609 | |
| 90 | A | A | 0.0000 | |
| 91 | V | A | 0.1756 | |
| 92 | S | A | 0.0000 | |
| 93 | K | A | -0.7130 | |
| 94 | C | A | 0.0000 | mutated: VC94A |
| 95 | L | A | 0.0000 | |
| 96 | H | A | -1.0137 | |
| 97 | L | A | -0.0116 | |
| 98 | E | A | -1.7093 | |
| 99 | G | A | -1.5858 | |
| 100 | E | A | 0.0000 | |
| 101 | V | A | 0.0000 | |
| 102 | N | A | -2.2933 | |
| 103 | K | A | -1.8616 | |
| 104 | I | A | 0.0000 | |
| 105 | K | A | -1.0838 | |
| 106 | S | A | -0.4297 | |
| 107 | A | A | 0.5773 | |
| 108 | L | A | 2.2842 | |
| 109 | L | A | 2.1167 | |
| 110 | S | A | 0.4735 | |
| 111 | T | A | -0.6425 | |
| 112 | N | A | -1.2161 | |
| 113 | K | A | 0.0000 | |
| 114 | A | A | 0.8699 | |
| 115 | V | A | 1.2271 | |
| 116 | V | A | 0.0000 | |
| 117 | S | A | -0.0338 | |
| 118 | L | A | 0.0000 | |
| 119 | S | A | -0.5302 | |
| 120 | C | A | -0.5564 | mutated: NC120A |
| 121 | G | A | -0.7530 | |
| 122 | V | A | -0.0604 | |
| 123 | S | A | -0.0364 | |
| 124 | V | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | T | A | 0.0000 | |
| 127 | S | A | 0.0000 | |
| 128 | K | A | -1.2222 | |
| 129 | V | A | -0.5907 | |
| 130 | L | A | 0.0000 | |
| 131 | D | A | -1.3148 | |
| 132 | L | A | 0.0000 | |
| 133 | K | A | -1.9351 | |
| 134 | N | A | -2.6483 | |
| 135 | Y | A | 0.0000 | |
| 136 | I | A | -1.4144 | |
| 137 | D | A | -2.5165 | |
| 138 | K | A | -2.4964 | |
| 139 | Q | A | 0.0000 | |
| 140 | L | A | -0.8134 | |
| 141 | L | A | 0.1324 | |
| 142 | P | A | -0.7907 | |
| 143 | I | A | 0.0000 | |
| 144 | V | A | -0.9792 | |
| 145 | N | A | -1.8701 | |
| 146 | K | A | -2.2674 | |
| 147 | Q | A | -2.5181 | |
| 148 | S | A | -1.7406 | |
| 149 | C | A | 0.0000 | |
| 150 | S | A | -1.5678 | |
| 151 | I | A | 0.0000 | |
| 152 | P | A | -1.1063 | mutated: SP152A |
| 153 | N | A | -1.6916 | |
| 154 | I | A | 0.0000 | |
| 155 | E | A | -0.9316 | |
| 156 | T | A | -0.7205 | |
| 157 | V | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | E | A | -0.4772 | |
| 160 | F | A | 0.0000 | |
| 161 | Q | A | -0.6627 | |
| 162 | Q | A | 0.0000 | |
| 163 | K | A | -0.8127 | |
| 164 | N | A | 0.0000 | |
| 165 | N | A | -1.5718 | |
| 166 | R | A | -1.1488 | |
| 167 | L | A | 0.0000 | |
| 168 | L | A | 0.0000 | |
| 169 | E | A | -1.0723 | |
| 170 | I | A | 0.0000 | |
| 171 | T | A | 0.0000 | |
| 172 | R | A | -0.8885 | |
| 173 | E | A | -0.5877 | |
| 174 | F | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | V | A | -0.0624 | |
| 177 | N | A | -0.2342 | |
| 178 | A | A | 0.0000 | |
| 179 | G | A | 0.0000 | |
| 180 | V | A | 0.4770 | |
| 181 | T | A | 0.0000 | |
| 182 | T | A | -0.1185 | |
| 183 | P | A | 0.0000 | |
| 184 | V | A | 0.0000 | |
| 185 | S | A | 0.0000 | |
| 186 | T | A | 0.0000 | |
| 187 | Y | A | 0.0073 | |
| 188 | M | A | 0.0000 | |
| 189 | L | A | 0.0000 | |
| 190 | T | A | -0.0784 | |
| 191 | N | A | 0.0000 | |
| 192 | S | A | -0.2912 | |
| 193 | E | A | -0.7157 | |
| 194 | L | A | 0.0000 | |
| 195 | L | A | -0.7919 | |
| 196 | S | A | -1.1722 | |
| 197 | L | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | N | A | -2.4367 | |
| 200 | D | A | -2.3234 | |
| 201 | M | A | 0.0000 | |
| 202 | P | A | -0.9521 | |
| 203 | I | A | -1.3316 | |
| 204 | T | A | -1.5904 | |
| 205 | N | A | -2.8788 | |
| 206 | D | A | -3.2720 | |
| 207 | Q | A | -2.2829 | |
| 208 | K | A | -2.6953 | |
| 209 | K | A | -3.0406 | |
| 210 | L | A | 0.0000 | |
| 211 | M | A | 0.0000 | |
| 212 | S | A | -1.2802 | |
| 213 | N | A | -0.9244 | |
| 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 | -0.5776 | |
| 221 | Q | A | -0.5791 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | 0.1135 | |
| 224 | S | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | M | A | 0.0000 | |
| 227 | S | A | 0.0000 | |
| 228 | I | A | -1.2140 | |
| 229 | I | A | -1.4159 | |
| 230 | K | A | -2.6706 | |
| 231 | E | A | -2.9963 | |
| 232 | E | A | -2.4097 | |
| 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 | 0.1856 | |
| 243 | Y | A | 0.0000 | |
| 244 | G | A | -0.4941 | |
| 245 | V | A | 0.0000 | |
| 246 | I | A | -1.0482 | |
| 247 | D | A | -2.0032 | |
| 248 | T | A | -1.0303 | |
| 249 | P | A | -0.9691 | |
| 250 | C | A | 0.0000 | |
| 251 | W | A | 0.0000 | |
| 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 | -0.1105 | |
| 258 | L | A | 0.0000 | |
| 259 | C | A | 0.0000 | |
| 260 | T | A | -0.3004 | |
| 261 | T | A | 0.0000 | |
| 262 | N | A | -0.9475 | |
| 263 | T | A | -1.3436 | |
| 264 | K | A | -2.4908 | |
| 265 | E | A | -1.8900 | |
| 266 | G | A | -1.4767 | |
| 267 | S | A | 0.0000 | |
| 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 | 0.0000 | |
| 274 | T | A | -0.9666 | |
| 275 | D | A | -1.7935 | |
| 276 | R | A | -2.8230 | |
| 277 | G | A | 0.0000 | |
| 278 | W | A | 0.0000 | |
| 279 | Y | A | -0.0721 | |
| 280 | C | A | 0.0000 | |
| 281 | D | A | -0.9539 | |
| 282 | N | A | -1.0920 | |
| 283 | A | A | -0.5532 | |
| 284 | G | A | -0.7891 | |
| 285 | S | A | -0.6466 | |
| 286 | V | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | F | A | 0.0831 | |
| 289 | F | A | 0.0000 | |
| 290 | P | A | -1.5568 | |
| 291 | Q | A | -2.4412 | |
| 292 | A | A | 0.0000 | |
| 293 | E | A | -2.6600 | |
| 294 | T | A | -1.5443 | |
| 295 | C | A | 0.0000 | |
| 296 | K | A | -0.9743 | |
| 297 | V | A | 0.0000 | |
| 298 | Q | A | 0.0000 | |
| 299 | S | A | -1.1381 | |
| 300 | N | A | -1.3207 | |
| 301 | R | A | -1.5329 | |
| 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 | -0.0011 | |
| 308 | N | A | -0.7711 | |
| 309 | S | A | 0.0000 | |
| 310 | L | A | 0.2894 | |
| 311 | T | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | P | A | -0.4727 | |
| 314 | P | A | -0.0463 | mutated: SP314A |
| 315 | E | A | 0.0000 | |
| 316 | V | A | 0.0000 | |
| 317 | N | A | 0.2611 | |
| 318 | L | A | 0.8005 | |
| 319 | C | A | 0.0000 | |
| 320 | N | A | -1.0654 | |
| 321 | V | A | 0.0000 | |
| 322 | D | A | -0.7433 | |
| 323 | I | A | 0.0000 | |
| 324 | F | A | 1.0856 | |
| 325 | N | A | -0.0798 | |
| 326 | P | A | -0.2167 | |
| 327 | K | A | 0.0141 | |
| 328 | Y | A | 0.4884 | |
| 329 | D | A | -0.4033 | |
| 330 | C | A | 0.0000 | |
| 331 | K | A | -0.6597 | |
| 332 | I | A | 0.0000 | |
| 333 | M | A | 0.3848 | |
| 334 | T | A | 0.0000 | |
| 335 | S | A | 0.3208 | |
| 336 | K | A | -0.3659 | |
| 337 | T | A | -0.2289 | |
| 338 | D | A | 0.0000 | |
| 339 | V | A | 0.1568 | |
| 340 | S | A | 0.0000 | |
| 341 | S | A | -0.0802 | |
| 342 | S | A | 0.0262 | |
| 343 | V | A | -0.1601 | |
| 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 | -0.0530 | |
| 355 | G | A | -0.6113 | |
| 356 | K | A | 0.0000 | |
| 357 | T | A | -0.5402 | |
| 358 | K | A | -0.7827 | |
| 359 | C | A | 0.0000 | |
| 360 | T | A | 0.1918 | |
| 361 | A | A | 0.2899 | |
| 362 | S | A | -0.3445 | |
| 363 | N | A | 0.0000 | |
| 364 | K | A | -2.7325 | |
| 365 | N | A | -3.0020 | |
| 366 | R | A | -2.6684 | |
| 367 | G | A | -1.4312 | |
| 368 | I | A | 0.1145 | |
| 369 | I | A | 1.2638 | |
| 370 | K | A | 0.1135 | |
| 371 | T | A | 0.3814 | |
| 372 | F | A | 1.0593 | |
| 373 | S | A | 0.0350 | |
| 374 | N | A | -0.1704 | |
| 375 | G | A | -0.0762 | |
| 376 | C | A | 0.0000 | |
| 377 | D | A | -0.5077 | |
| 378 | Y | A | 0.0000 | |
| 379 | V | A | 0.0477 | |
| 380 | S | A | 0.0000 | |
| 381 | N | A | -1.9012 | |
| 382 | K | A | -2.1616 | |
| 383 | G | A | 0.0000 | |
| 384 | V | A | 0.0000 | |
| 385 | D | A | -1.3017 | |
| 386 | T | A | -0.3859 | |
| 387 | V | A | 0.0000 | |
| 388 | S | A | -0.2779 | |
| 389 | V | A | 0.0000 | |
| 390 | G | A | -0.5365 | |
| 391 | N | A | -0.3510 | |
| 392 | T | A | -0.0773 | |
| 393 | L | A | 0.2732 | |
| 394 | Y | A | 0.0000 | |
| 395 | Y | A | 0.4704 | |
| 396 | V | A | 0.0000 | |
| 397 | N | A | 0.0000 | |
| 398 | K | A | -1.3993 | |
| 399 | Q | A | 0.0000 | |
| 400 | E | A | -2.0507 | |
| 401 | G | A | -2.0457 | |
| 402 | K | A | -2.3178 | |
| 403 | S | A | -1.0446 | |
| 404 | L | A | 0.1978 | |
| 405 | Y | A | 0.1900 | |
| 406 | V | A | -0.3689 | |
| 407 | K | A | -1.8657 | |
| 408 | G | A | -1.4950 | |
| 409 | E | A | -1.9098 | |
| 410 | P | A | -0.7983 | |
| 411 | I | A | 0.3865 | |
| 412 | I | A | 0.8191 | |
| 413 | N | A | 0.7613 | |
| 414 | F | A | 1.0081 | |
| 415 | Y | A | 0.3305 | |
| 416 | D | A | -1.6221 | |
| 417 | P | A | 0.0000 | |
| 418 | L | A | 0.3176 | |
| 419 | V | A | 0.0000 | |
| 420 | F | A | 0.0000 | |
| 421 | P | A | 0.0000 | |
| 422 | S | A | 0.0984 | |
| 423 | D | A | 0.4205 | |
| 424 | E | A | 0.0000 | |
| 425 | F | A | 2.0659 | |
| 426 | D | A | 0.6112 | |
| 427 | A | A | 0.0000 | |
| 428 | S | A | 0.0000 | |
| 429 | I | A | 0.0000 | |
| 430 | S | A | -0.7135 | |
| 431 | Q | A | 0.0000 | |
| 432 | V | A | 0.0000 | |
| 433 | N | A | -0.9836 | |
| 434 | E | A | -1.8354 | |
| 435 | K | A | -0.9784 | |
| 436 | I | A | -0.4116 | |
| 437 | N | A | -1.2009 | |
| 438 | Q | A | -0.7047 | |
| 439 | S | A | 0.0000 | |
| 440 | L | A | 0.8532 | |
| 441 | A | A | -0.2364 | |
| 442 | W | A | -0.2297 | mutated: FW442A |
| 443 | I | A | -0.3241 | |
| 444 | R | A | -2.1542 | |
| 445 | K | A | -1.7786 | |
| 446 | F | A | 0.0000 | mutated: SF446A |
| 447 | D | A | -2.1303 | |
| 448 | E | A | -2.4142 | |
| 449 | L | A | -0.2677 | |
| 450 | L | A | -0.0441 | |
| 451 | H | A | -1.2441 | |
| 1 | Q | B | -2.4948 | |
| 2 | N | B | -2.9808 | |
| 3 | I | B | 0.0000 | |
| 4 | T | B | -1.1733 | |
| 5 | E | B | 0.0000 | |
| 6 | E | B | 0.1042 | |
| 7 | F | B | 0.0000 | |
| 8 | Y | B | -0.5644 | |
| 9 | Q | B | -1.3073 | |
| 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 | -0.9522 | |
| 18 | G | B | -1.1053 | |
| 19 | Y | B | 0.0000 | |
| 20 | L | B | -0.5856 | |
| 21 | S | B | 0.0000 | |
| 22 | A | B | -0.1713 | |
| 23 | L | B | 0.0000 | |
| 24 | R | B | 0.0000 | |
| 25 | T | B | 0.0573 | |
| 26 | G | B | 0.0000 | |
| 27 | W | B | 0.5520 | |
| 28 | Y | B | 0.3514 | |
| 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 | -1.7476 | |
| 38 | N | B | 0.0000 | |
| 39 | I | B | 0.0000 | |
| 40 | K | B | -3.3066 | |
| 41 | E | B | -3.9638 | |
| 42 | P | B | -2.9368 | mutated: NP42B |
| 43 | K | B | -3.6625 | |
| 44 | C | B | 0.0000 | |
| 45 | N | B | -3.1030 | |
| 46 | G | B | -2.0369 | |
| 47 | T | B | -1.4405 | |
| 48 | D | B | -2.3368 | |
| 49 | A | B | -1.6010 | |
| 50 | K | B | 0.0000 | |
| 51 | V | B | 0.0000 | |
| 52 | K | B | -2.7399 | |
| 53 | L | B | 0.0000 | |
| 54 | I | B | 0.0000 | |
| 55 | K | B | -3.1247 | |
| 56 | Q | B | -2.1309 | |
| 57 | E | B | 0.0000 | |
| 58 | L | B | 0.0000 | |
| 59 | D | B | -2.8119 | |
| 60 | K | B | -1.7037 | |
| 61 | Y | B | 0.0000 | |
| 62 | K | B | -2.6854 | |
| 63 | N | B | -1.7442 | |
| 64 | A | B | 0.0000 | |
| 65 | V | B | 0.0000 | |
| 66 | T | B | -0.8352 | |
| 67 | E | B | 0.0000 | |
| 68 | L | B | 0.0000 | |
| 69 | Q | B | -1.2711 | |
| 70 | L | B | -0.3607 | |
| 71 | L | B | 0.0000 | |
| 72 | M | B | -0.6132 | |
| 73 | Q | B | -1.2583 | |
| 74 | S | B | 0.0000 | |
| 75 | T | B | -0.6505 | |
| 76 | P | B | -0.3482 | |
| 77 | A | B | -0.1497 | |
| 78 | A | B | -0.0806 | |
| 79 | G | B | -0.4396 | |
| 80 | G | B | -0.6344 | |
| 81 | G | B | -0.7897 | |
| 82 | G | B | -0.4959 | |
| 83 | S | B | -0.0922 | |
| 84 | A | B | 0.5486 | |
| 85 | I | B | 1.1135 | |
| 86 | A | B | 0.0000 | |
| 87 | S | B | 0.1654 | |
| 88 | G | B | 0.0000 | |
| 89 | I | B | 0.1449 | |
| 90 | A | B | -0.4779 | |
| 91 | V | B | 0.0000 | |
| 92 | S | B | -0.6771 | |
| 93 | K | B | -1.4515 | |
| 94 | C | B | -0.7071 | mutated: VC94B |
| 95 | L | B | 0.0000 | |
| 96 | H | B | -1.0367 | |
| 97 | L | B | -0.3306 | |
| 98 | E | B | -1.8539 | |
| 99 | G | B | -1.9121 | |
| 100 | E | B | -1.7733 | |
| 101 | V | B | 0.0000 | |
| 102 | N | B | -2.7162 | |
| 103 | K | B | -2.2735 | |
| 104 | I | B | 0.0000 | |
| 105 | K | B | -2.0219 | |
| 106 | S | B | -1.0971 | |
| 107 | A | B | -0.6168 | |
| 108 | L | B | 0.0000 | |
| 109 | L | B | 0.1382 | |
| 110 | S | B | -0.3059 | |
| 111 | T | B | -0.4483 | |
| 112 | N | B | -0.7843 | |
| 113 | K | B | -1.6224 | |
| 114 | A | B | -0.1174 | |
| 115 | V | B | 1.3048 | |
| 116 | V | B | 0.6254 | |
| 117 | S | B | 0.1388 | |
| 118 | L | B | 0.0270 | |
| 119 | S | B | -0.6807 | |
| 120 | C | B | 0.0000 | mutated: NC120B |
| 121 | G | B | -1.3096 | |
| 122 | V | B | -0.2427 | |
| 123 | S | B | 0.3677 | |
| 124 | V | B | 0.0000 | |
| 125 | L | B | 0.0000 | |
| 126 | T | B | 0.0000 | |
| 127 | S | B | 0.0000 | |
| 128 | K | B | -0.6922 | |
| 129 | V | B | 0.0000 | |
| 130 | L | B | -0.1612 | |
| 131 | D | B | 0.0000 | |
| 132 | L | B | 0.0000 | |
| 133 | K | B | -1.4569 | |
| 134 | N | B | -1.4897 | |
| 135 | Y | B | -0.9872 | |
| 136 | I | B | 0.0000 | |
| 137 | D | B | -2.2617 | |
| 138 | K | B | -1.8633 | |
| 139 | Q | B | -1.4321 | |
| 140 | L | B | 0.0000 | |
| 141 | L | B | -1.5235 | |
| 142 | P | B | -1.3826 | |
| 143 | I | B | 0.0000 | |
| 144 | V | B | 0.0000 | |
| 145 | N | B | -2.5417 | |
| 146 | K | B | -2.1188 | |
| 147 | Q | B | -1.7669 | |
| 148 | S | B | -0.9575 | |
| 149 | C | B | -0.2640 | |
| 150 | S | B | -0.6282 | |
| 151 | I | B | 0.0000 | |
| 152 | P | B | -0.5387 | mutated: SP152B |
| 153 | N | B | -0.7492 | |
| 154 | I | B | -0.5209 | |
| 155 | E | B | 0.0000 | |
| 156 | T | B | 0.0000 | |
| 157 | V | B | 0.0000 | |
| 158 | I | B | 0.0000 | |
| 159 | E | B | 0.0000 | |
| 160 | F | B | 0.0000 | |
| 161 | Q | B | -0.5538 | |
| 162 | Q | B | -0.5262 | |
| 163 | K | B | -0.4458 | |
| 164 | N | B | 0.0000 | |
| 165 | N | B | -0.7407 | |
| 166 | R | B | -0.5735 | |
| 167 | L | B | 0.0000 | |
| 168 | L | B | -0.4895 | |
| 169 | E | B | -0.5503 | |
| 170 | I | B | 0.0000 | |
| 171 | T | B | 0.0000 | |
| 172 | R | B | -0.4803 | |
| 173 | E | B | -0.4655 | |
| 174 | F | B | 0.0000 | |
| 175 | S | B | 0.0000 | |
| 176 | V | B | -0.2342 | |
| 177 | N | B | -0.3847 | |
| 178 | A | B | -0.0572 | |
| 179 | G | B | 0.0000 | |
| 180 | V | B | 0.5037 | |
| 181 | T | B | 0.0000 | |
| 182 | T | B | 0.0132 | |
| 183 | P | B | 0.0000 | |
| 184 | V | B | 0.0000 | |
| 185 | S | B | -0.1758 | |
| 186 | T | B | 0.0000 | |
| 187 | Y | B | -0.1139 | |
| 188 | M | B | 0.0000 | |
| 189 | L | B | 0.0000 | |
| 190 | T | B | -0.0690 | |
| 191 | N | B | -0.0354 | |
| 192 | S | B | 0.1181 | |
| 193 | E | B | 0.0000 | |
| 194 | L | B | 0.0000 | |
| 195 | L | B | 0.5022 | |
| 196 | S | B | -0.4499 | |
| 197 | L | B | 0.0000 | |
| 198 | I | B | 0.0000 | |
| 199 | N | B | -2.4469 | |
| 200 | D | B | -1.7025 | |
| 201 | M | B | 0.0000 | |
| 202 | P | B | -0.8875 | |
| 203 | I | B | -1.1128 | |
| 204 | T | B | -1.7613 | |
| 205 | N | B | -3.1742 | |
| 206 | D | B | -3.0966 | |
| 207 | Q | B | 0.0000 | |
| 208 | K | B | 0.0000 | |
| 209 | K | B | -2.7820 | |
| 210 | L | B | -1.6812 | |
| 211 | M | B | 0.0000 | |
| 212 | S | B | -0.9496 | |
| 213 | N | B | -0.7222 | |
| 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 | -0.3918 | |
| 221 | Q | B | -0.2306 | |
| 222 | S | B | 0.0000 | |
| 223 | Y | B | 0.4871 | |
| 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 | -2.5158 | |
| 231 | E | B | -2.9191 | |
| 232 | E | B | -2.8600 | |
| 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 | 0.3558 | |
| 243 | Y | B | 0.0000 | |
| 244 | G | B | -0.2237 | |
| 245 | V | B | 0.0622 | |
| 246 | I | B | -0.4693 | |
| 247 | D | B | -1.5243 | |
| 248 | T | B | 0.0000 | |
| 249 | P | B | -0.8455 | |
| 250 | C | B | 0.0000 | |
| 251 | W | B | -0.3655 | |
| 252 | K | B | 0.0000 | |
| 253 | L | B | 0.0000 | |
| 254 | H | B | -0.7537 | |
| 255 | T | B | 0.0000 | |
| 256 | S | B | 0.0000 | |
| 257 | P | B | 0.0259 | |
| 258 | L | B | 0.0000 | |
| 259 | C | B | 0.1209 | |
| 260 | T | B | -0.2761 | |
| 261 | T | B | -0.5276 | |
| 262 | N | B | 0.0000 | |
| 263 | T | B | -1.4102 | |
| 264 | K | B | -2.5591 | |
| 265 | E | B | -2.7653 | |
| 266 | G | B | -1.7157 | |
| 267 | S | B | -1.1842 | |
| 268 | N | B | -0.6989 | |
| 269 | I | B | 0.1515 | |
| 270 | C | B | 0.0000 | |
| 271 | L | B | 0.0000 | |
| 272 | T | B | 0.0000 | |
| 273 | R | B | 0.0000 | |
| 274 | T | B | -0.7599 | |
| 275 | D | B | -1.6670 | |
| 276 | R | B | -2.7652 | |
| 277 | G | B | 0.0000 | |
| 278 | W | B | 0.0000 | |
| 279 | Y | B | 0.0000 | |
| 280 | C | B | 0.0000 | |
| 281 | D | B | -0.7777 | |
| 282 | N | B | 0.0000 | |
| 283 | A | B | -0.4772 | |
| 284 | G | B | -0.6586 | |
| 285 | S | B | -0.6782 | |
| 286 | V | B | 0.0000 | |
| 287 | S | B | 0.0000 | |
| 288 | F | B | 0.0000 | |
| 289 | F | B | -0.8934 | |
| 290 | P | B | -1.6216 | |
| 291 | Q | B | -2.5327 | |
| 292 | A | B | -2.1981 | |
| 293 | E | B | -2.6744 | |
| 294 | T | B | -1.4046 | |
| 295 | C | B | -0.8731 | |
| 296 | K | B | -0.7689 | |
| 297 | V | B | 0.0000 | |
| 298 | Q | B | -0.6535 | |
| 299 | S | B | -0.9865 | |
| 300 | N | B | -1.0687 | |
| 301 | R | B | -0.9587 | |
| 302 | V | B | 0.0000 | |
| 303 | F | B | 0.0000 | |
| 304 | C | B | 0.0000 | |
| 305 | D | B | 0.0000 | |
| 306 | T | B | 0.0000 | |
| 307 | M | B | -0.1319 | |
| 308 | N | B | -1.0510 | |
| 309 | S | B | 0.0000 | |
| 310 | L | B | -0.0539 | |
| 311 | T | B | 0.0000 | |
| 312 | L | B | 0.0000 | |
| 313 | P | B | -0.2487 | |
| 314 | P | B | -0.2581 | mutated: SP314B |
| 315 | E | B | 0.0000 | |
| 316 | V | B | -0.3815 | |
| 317 | N | B | -0.6236 | |
| 318 | L | B | -0.1489 | |
| 319 | C | B | 0.0000 | |
| 320 | N | B | -0.6670 | |
| 321 | V | B | 0.0000 | |
| 322 | D | B | -1.2316 | |
| 323 | I | B | 0.1227 | |
| 324 | F | B | 0.0000 | |
| 325 | N | B | -1.5588 | |
| 326 | P | B | 0.0000 | |
| 327 | K | B | -1.8272 | |
| 328 | Y | B | -0.6477 | |
| 329 | D | B | 0.0000 | |
| 330 | C | B | 0.0000 | |
| 331 | K | B | -0.0823 | |
| 332 | I | B | 0.0000 | |
| 333 | M | B | 0.9247 | |
| 334 | T | B | 0.0000 | |
| 335 | S | B | 0.0000 | |
| 336 | K | B | 0.0000 | |
| 337 | T | B | -0.0614 | |
| 338 | D | B | 0.0000 | |
| 339 | V | B | 0.4252 | |
| 340 | S | B | 0.0000 | |
| 341 | S | B | 0.1621 | |
| 342 | S | B | 0.2950 | |
| 343 | V | B | 0.4070 | |
| 344 | I | B | 0.3270 | |
| 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 | 0.3632 | |
| 355 | G | B | -0.8342 | |
| 356 | K | B | 0.0000 | |
| 357 | T | B | -0.7598 | |
| 358 | K | B | -1.5329 | |
| 359 | C | B | -0.6183 | |
| 360 | T | B | 0.0958 | |
| 361 | A | B | 0.0000 | |
| 362 | S | B | -0.2331 | |
| 363 | N | B | -1.5427 | |
| 364 | K | B | -2.6029 | |
| 365 | N | B | -2.9423 | |
| 366 | R | B | -2.7777 | |
| 367 | G | B | -1.7716 | |
| 368 | I | B | -0.2507 | |
| 369 | I | B | 1.4687 | |
| 370 | K | B | 0.8568 | |
| 371 | T | B | 0.3593 | |
| 372 | F | B | 0.5796 | |
| 373 | S | B | -0.2539 | |
| 374 | N | B | -0.3935 | |
| 375 | G | B | -0.0397 | |
| 376 | C | B | -0.1756 | |
| 377 | D | B | -0.4569 | |
| 378 | Y | B | 0.0000 | |
| 379 | V | B | 0.0000 | |
| 380 | S | B | 0.0000 | |
| 381 | N | B | -1.7150 | |
| 382 | K | B | -1.8705 | |
| 383 | G | B | 0.0000 | |
| 384 | V | B | 0.0000 | |
| 385 | D | B | 0.0000 | |
| 386 | T | B | -0.2405 | |
| 387 | V | B | 0.0000 | |
| 388 | S | B | -0.2989 | |
| 389 | V | B | 0.0000 | |
| 390 | G | B | -0.8146 | |
| 391 | N | B | -0.5165 | |
| 392 | T | B | 0.0000 | |
| 393 | L | B | 0.2847 | |
| 394 | Y | B | 0.0000 | |
| 395 | Y | B | 0.3804 | |
| 396 | V | B | 0.0000 | |
| 397 | N | B | -0.3980 | |
| 398 | K | B | -1.3668 | |
| 399 | Q | B | -1.9004 | |
| 400 | E | B | -3.1266 | |
| 401 | G | B | -3.1175 | |
| 402 | K | B | -2.3936 | |
| 403 | S | B | -0.6476 | |
| 404 | L | B | 1.2422 | |
| 405 | Y | B | 1.1428 | |
| 406 | V | B | -0.1013 | |
| 407 | K | B | -2.0509 | |
| 408 | G | B | -1.9665 | |
| 409 | E | B | -2.1536 | |
| 410 | P | B | -1.2122 | |
| 411 | I | B | 0.0644 | |
| 412 | I | B | 0.5150 | |
| 413 | N | B | -0.3117 | |
| 414 | F | B | 1.3085 | |
| 415 | Y | B | 0.8461 | |
| 416 | D | B | -0.3909 | |
| 417 | P | B | 0.1474 | |
| 418 | L | B | 0.0943 | |
| 419 | V | B | 0.0000 | |
| 420 | F | B | 1.7620 | |
| 421 | P | B | 0.6963 | |
| 422 | S | B | 0.6377 | |
| 423 | D | B | 0.8179 | |
| 424 | E | B | 0.0000 | |
| 425 | F | B | 2.2621 | |
| 426 | D | B | 0.8712 | |
| 427 | A | B | 0.0000 | |
| 428 | S | B | 0.0000 | |
| 429 | I | B | -0.5678 | |
| 430 | S | B | -1.2796 | |
| 431 | Q | B | -1.6065 | |
| 432 | V | B | 0.0000 | |
| 433 | N | B | -2.0782 | |
| 434 | E | B | -2.6593 | |
| 435 | K | B | 0.0000 | |
| 436 | I | B | 0.0000 | |
| 437 | N | B | -1.7483 | |
| 438 | Q | B | -1.1321 | |
| 439 | S | B | 0.1556 | |
| 440 | L | B | 0.4773 | |
| 441 | A | B | -0.5715 | |
| 442 | W | B | -0.2308 | mutated: FW442B |
| 443 | I | B | -0.2107 | |
| 444 | R | B | -2.0400 | |
| 445 | K | B | -1.2811 | |
| 446 | F | B | 0.0000 | mutated: SF446B |
| 447 | D | B | -2.4022 | |
| 448 | E | B | -1.8061 | |
| 449 | L | B | -0.4412 | |
| 450 | L | B | 0.1982 | |
| 451 | H | B | -1.2215 | |
| 1 | Q | C | -1.2570 | |
| 2 | N | C | 0.0000 | |
| 3 | I | C | 0.8021 | |
| 4 | T | C | -0.2078 | |
| 5 | E | C | 0.0000 | |
| 6 | E | C | -0.1161 | |
| 7 | F | C | 0.0000 | |
| 8 | Y | C | 0.0000 | |
| 9 | Q | C | -0.4580 | |
| 10 | S | C | -0.7430 | |
| 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 | -0.2779 | |
| 18 | G | C | 0.0474 | |
| 19 | Y | C | 0.0000 | |
| 20 | L | C | -0.3335 | |
| 21 | S | C | 0.0000 | |
| 22 | A | C | 0.0000 | |
| 23 | L | C | 0.0000 | |
| 24 | R | C | -0.1045 | |
| 25 | T | C | 0.0856 | |
| 26 | G | C | 0.2442 | |
| 27 | W | C | 0.6844 | |
| 28 | Y | C | 0.8065 | |
| 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 | -2.0120 | |
| 38 | N | C | -2.3824 | |
| 39 | I | C | 0.0000 | |
| 40 | K | C | 0.0000 | |
| 41 | E | C | -3.2543 | |
| 42 | P | C | -2.3486 | mutated: NP42C |
| 43 | K | C | -3.4745 | |
| 44 | C | C | 0.0000 | |
| 45 | N | C | -2.5363 | |
| 46 | G | C | -1.8325 | |
| 47 | T | C | -1.1651 | |
| 48 | D | C | -1.6503 | |
| 49 | A | C | -1.0975 | |
| 50 | K | C | -1.1378 | |
| 51 | V | C | 0.0000 | |
| 52 | K | C | -1.5432 | |
| 53 | L | C | 0.0000 | |
| 54 | I | C | 0.0000 | |
| 55 | K | C | -2.2148 | |
| 56 | Q | C | -1.3631 | |
| 57 | E | C | 0.0000 | |
| 58 | L | C | 0.0000 | |
| 59 | D | C | -2.2547 | |
| 60 | K | C | 0.0000 | |
| 61 | Y | C | 0.0000 | |
| 62 | K | C | -2.3318 | |
| 63 | N | C | 0.0000 | |
| 64 | A | C | 0.0000 | |
| 65 | V | C | 0.0000 | |
| 66 | T | C | -0.7512 | |
| 67 | E | C | 0.0000 | |
| 68 | L | C | 0.0000 | |
| 69 | Q | C | -0.9382 | |
| 70 | L | C | 0.0000 | |
| 71 | L | C | 0.0000 | |
| 72 | M | C | -0.0003 | |
| 73 | Q | C | -0.4326 | |
| 74 | S | C | 0.0000 | |
| 75 | T | C | -0.3956 | |
| 76 | P | C | -0.2020 | |
| 77 | A | C | -0.3427 | |
| 78 | A | C | 0.0000 | |
| 79 | G | C | 0.0000 | |
| 80 | G | C | 0.0000 | |
| 81 | G | C | 0.0000 | |
| 82 | G | C | -0.8787 | |
| 83 | S | C | 0.0000 | |
| 84 | A | C | 0.6978 | |
| 85 | I | C | 0.9841 | |
| 86 | A | C | 0.0000 | |
| 87 | S | C | 0.3189 | |
| 88 | G | C | 0.0000 | |
| 89 | I | C | 0.0816 | |
| 90 | A | C | 0.0000 | |
| 91 | V | C | 0.0000 | |
| 92 | S | C | -0.3738 | |
| 93 | K | C | -0.7976 | |
| 94 | C | C | 0.0000 | mutated: VC94C |
| 95 | L | C | 0.0000 | |
| 96 | H | C | -1.1228 | |
| 97 | L | C | -0.2315 | |
| 98 | E | C | -1.9811 | |
| 99 | G | C | -1.6391 | |
| 100 | E | C | 0.0000 | |
| 101 | V | C | 0.0000 | |
| 102 | N | C | -2.3640 | |
| 103 | K | C | -2.1247 | |
| 104 | I | C | 0.0000 | |
| 105 | K | C | -1.1143 | |
| 106 | S | C | -0.7577 | |
| 107 | A | C | 0.1703 | |
| 108 | L | C | 0.8979 | |
| 109 | L | C | 1.3222 | |
| 110 | S | C | 0.3581 | |
| 111 | T | C | -0.0970 | |
| 112 | N | C | 0.2311 | |
| 113 | K | C | 0.0690 | |
| 114 | A | C | 0.9976 | |
| 115 | V | C | 1.6390 | |
| 116 | V | C | 0.6762 | |
| 117 | S | C | 0.0202 | |
| 118 | L | C | 0.0000 | |
| 119 | S | C | -0.2479 | |
| 120 | C | C | -0.2839 | mutated: NC120C |
| 121 | G | C | -0.8679 | |
| 122 | V | C | -0.3989 | |
| 123 | S | C | 0.2900 | |
| 124 | V | C | 0.0000 | |
| 125 | L | C | 0.0000 | |
| 126 | T | C | 0.0000 | |
| 127 | S | C | 0.0000 | |
| 128 | K | C | -0.2704 | |
| 129 | V | C | 0.0000 | |
| 130 | L | C | 0.0119 | |
| 131 | D | C | -0.2619 | |
| 132 | L | C | -0.4219 | |
| 133 | K | C | -1.1356 | |
| 134 | N | C | -1.0228 | |
| 135 | Y | C | -0.2318 | |
| 136 | I | C | 0.0000 | |
| 137 | D | C | -1.5719 | |
| 138 | K | C | -1.7705 | |
| 139 | Q | C | -0.8926 | |
| 140 | L | C | 0.0000 | |
| 141 | L | C | -1.0880 | |
| 142 | P | C | -1.0843 | |
| 143 | I | C | 0.0000 | |
| 144 | V | C | -1.4137 | |
| 145 | N | C | -2.2428 | |
| 146 | K | C | -2.7965 | |
| 147 | Q | C | -2.1436 | |
| 148 | S | C | -1.7629 | |
| 149 | C | C | -1.0442 | |
| 150 | S | C | 0.0000 | |
| 151 | I | C | 0.0000 | |
| 152 | P | C | -0.9957 | mutated: SP152C |
| 153 | N | C | -1.5412 | |
| 154 | I | C | 0.0000 | |
| 155 | E | C | 0.0000 | |
| 156 | T | C | -0.6539 | |
| 157 | V | C | 0.0000 | |
| 158 | I | C | 0.0000 | |
| 159 | E | C | -1.0119 | |
| 160 | F | C | 0.0000 | |
| 161 | Q | C | 0.0000 | |
| 162 | Q | C | -0.8707 | |
| 163 | K | C | -0.4986 | |
| 164 | N | C | 0.0000 | |
| 165 | N | C | -0.7929 | |
| 166 | R | C | -0.8071 | |
| 167 | L | C | 0.0000 | |
| 168 | L | C | -0.6109 | |
| 169 | E | C | -0.7724 | |
| 170 | I | C | 0.0000 | |
| 171 | T | C | 0.0000 | |
| 172 | R | C | -0.4429 | |
| 173 | E | C | -0.3749 | |
| 174 | F | C | 0.0000 | |
| 175 | S | C | 0.0000 | |
| 176 | V | C | 0.0469 | |
| 177 | N | C | -0.2263 | |
| 178 | A | C | 0.0000 | |
| 179 | G | C | 0.0000 | |
| 180 | V | C | 0.2418 | |
| 181 | T | C | 0.0000 | |
| 182 | T | C | -0.2908 | |
| 183 | P | C | -0.4366 | |
| 184 | V | C | 0.0000 | |
| 185 | S | C | 0.0000 | |
| 186 | T | C | 0.0000 | |
| 187 | Y | C | 0.0000 | |
| 188 | M | C | 0.0000 | |
| 189 | L | C | 0.0000 | |
| 190 | T | C | -0.3047 | |
| 191 | N | C | 0.0000 | |
| 192 | S | C | -0.4148 | |
| 193 | E | C | -0.8101 | |
| 194 | L | C | 0.0000 | |
| 195 | L | C | -0.1934 | |
| 196 | S | C | -0.6000 | |
| 197 | L | C | 0.0000 | |
| 198 | I | C | 0.0000 | |
| 199 | N | C | -1.7651 | |
| 200 | D | C | -0.7266 | |
| 201 | M | C | 0.0000 | |
| 202 | P | C | -0.4737 | |
| 203 | I | C | -0.9154 | |
| 204 | T | C | -1.5173 | |
| 205 | N | C | -2.8523 | |
| 206 | D | C | -3.0031 | |
| 207 | Q | C | 0.0000 | |
| 208 | K | C | -2.3380 | |
| 209 | K | C | -2.9107 | |
| 210 | L | C | -1.4712 | |
| 211 | M | C | 0.0000 | |
| 212 | S | C | -0.9664 | |
| 213 | N | C | -0.7833 | |
| 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 | -0.9818 | |
| 221 | Q | C | -0.6129 | |
| 222 | S | C | -0.2623 | |
| 223 | Y | C | 0.0000 | |
| 224 | S | C | 0.0000 | |
| 225 | I | C | 0.0000 | |
| 226 | M | C | 0.0000 | |
| 227 | S | C | -0.0404 | |
| 228 | I | C | -0.7030 | |
| 229 | I | C | -1.2974 | |
| 230 | K | C | -2.7855 | |
| 231 | E | C | -3.0024 | |
| 232 | E | C | -2.1128 | |
| 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 | 0.2490 | |
| 243 | Y | C | 0.2953 | |
| 244 | G | C | -0.0360 | |
| 245 | V | C | 0.1846 | |
| 246 | I | C | -0.0174 | |
| 247 | D | C | -1.2786 | |
| 248 | T | C | 0.0000 | |
| 249 | P | C | -0.5022 | |
| 250 | C | C | 0.0000 | |
| 251 | W | C | -0.1491 | |
| 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 | -0.1235 | |
| 258 | L | C | 0.0000 | |
| 259 | C | C | 0.0000 | |
| 260 | T | C | -0.9553 | |
| 261 | T | C | -1.5591 | |
| 262 | N | C | -1.9932 | |
| 263 | T | C | -1.6372 | |
| 264 | K | C | -2.4342 | |
| 265 | E | C | -1.5748 | |
| 266 | G | C | -1.4263 | |
| 267 | S | C | -1.3367 | |
| 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 | -0.4733 | |
| 275 | D | C | -1.1687 | |
| 276 | R | C | 0.0000 | |
| 277 | G | C | 0.0000 | |
| 278 | W | C | 0.0000 | |
| 279 | Y | C | 0.0000 | |
| 280 | C | C | 0.0000 | |
| 281 | D | C | -0.6492 | |
| 282 | N | C | -0.5922 | |
| 283 | A | C | -0.3438 | |
| 284 | G | C | -0.5552 | |
| 285 | S | C | 0.0000 | |
| 286 | V | C | 0.0000 | |
| 287 | S | C | 0.0000 | |
| 288 | F | C | 0.0000 | |
| 289 | F | C | 0.0000 | |
| 290 | P | C | -1.1376 | |
| 291 | Q | C | -1.8097 | |
| 292 | A | C | 0.0000 | |
| 293 | E | C | -1.6929 | |
| 294 | T | C | -0.9589 | |
| 295 | C | C | -0.4963 | |
| 296 | K | C | -0.5249 | |
| 297 | V | C | -0.2668 | |
| 298 | Q | C | 0.0000 | |
| 299 | S | C | -0.7658 | |
| 300 | N | C | -0.6750 | |
| 301 | R | C | -0.5974 | |
| 302 | V | C | 0.0000 | |
| 303 | F | C | 0.0000 | |
| 304 | C | C | 0.0000 | |
| 305 | D | C | -0.4474 | |
| 306 | T | C | -0.1039 | |
| 307 | M | C | 0.2655 | |
| 308 | N | C | -0.9075 | |
| 309 | S | C | -0.3559 | |
| 310 | L | C | 0.1330 | |
| 311 | T | C | 0.0000 | |
| 312 | L | C | -0.1269 | |
| 313 | P | C | -0.1047 | |
| 314 | P | C | -0.3185 | mutated: SP314C |
| 315 | E | C | 0.0000 | |
| 316 | V | C | 0.0000 | |
| 317 | N | C | -0.4323 | |
| 318 | L | C | 0.0092 | |
| 319 | C | C | 0.0000 | |
| 320 | N | C | -0.1870 | |
| 321 | V | C | 0.1423 | |
| 322 | D | C | -1.0837 | |
| 323 | I | C | -0.2667 | |
| 324 | F | C | -0.4304 | |
| 325 | N | C | -1.4583 | |
| 326 | P | C | -1.3907 | |
| 327 | K | C | -2.2941 | |
| 328 | Y | C | -1.2812 | |
| 329 | D | C | -0.8442 | |
| 330 | C | C | 0.0000 | |
| 331 | K | C | -0.2129 | |
| 332 | I | C | 0.0000 | |
| 333 | M | C | 0.4755 | |
| 334 | T | C | 0.0000 | |
| 335 | S | C | 0.4782 | |
| 336 | K | C | 0.0000 | |
| 337 | T | C | -0.3739 | |
| 338 | D | C | 0.0000 | |
| 339 | V | C | 0.0000 | |
| 340 | S | C | 0.0000 | |
| 341 | S | C | -0.2089 | |
| 342 | S | C | 0.0000 | |
| 343 | V | C | 0.2588 | |
| 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 | -1.3824 | |
| 356 | K | C | -0.9750 | |
| 357 | T | C | -0.9335 | |
| 358 | K | C | -1.3735 | |
| 359 | C | C | 0.0000 | |
| 360 | T | C | 0.4060 | |
| 361 | A | C | 0.0000 | |
| 362 | S | C | 0.2867 | |
| 363 | N | C | 0.0000 | |
| 364 | K | C | -1.7963 | |
| 365 | N | C | -2.6701 | |
| 366 | R | C | -2.4531 | |
| 367 | G | C | -0.4463 | |
| 368 | I | C | 1.7606 | |
| 369 | I | C | 1.9123 | |
| 370 | K | C | 0.9447 | |
| 371 | T | C | 0.5277 | |
| 372 | F | C | 0.2154 | |
| 373 | S | C | -0.6094 | |
| 374 | N | C | -0.6834 | |
| 375 | G | C | -0.6536 | |
| 376 | C | C | -0.3042 | |
| 377 | D | C | -0.3256 | |
| 378 | Y | C | 0.4002 | |
| 379 | V | C | 0.0000 | |
| 380 | S | C | -0.5795 | |
| 381 | N | C | -1.1148 | |
| 382 | K | C | -2.5080 | |
| 383 | G | C | -2.1142 | |
| 384 | V | C | 0.0000 | |
| 385 | D | C | 0.0000 | |
| 386 | T | C | 0.0000 | |
| 387 | V | C | 0.0000 | |
| 388 | S | C | -0.3793 | |
| 389 | V | C | 0.0000 | |
| 390 | G | C | -0.9843 | |
| 391 | N | C | -1.2885 | |
| 392 | T | C | 0.0000 | |
| 393 | L | C | 0.1673 | |
| 394 | Y | C | 0.0000 | |
| 395 | Y | C | 0.0000 | |
| 396 | V | C | 0.0000 | |
| 397 | N | C | -0.7195 | |
| 398 | K | C | -1.1820 | |
| 399 | Q | C | -1.1551 | |
| 400 | E | C | -1.3125 | |
| 401 | G | C | -1.1982 | |
| 402 | K | C | -1.6642 | |
| 403 | S | C | -0.3402 | |
| 404 | L | C | 0.8130 | |
| 405 | Y | C | 1.5253 | |
| 406 | V | C | 0.8617 | |
| 407 | K | C | -1.0832 | |
| 408 | G | C | -0.8919 | |
| 409 | E | C | 0.0000 | |
| 410 | P | C | -0.3396 | |
| 411 | I | C | 0.0000 | |
| 412 | I | C | -0.1389 | |
| 413 | N | C | -0.8439 | |
| 414 | F | C | 0.6716 | |
| 415 | Y | C | 0.0000 | |
| 416 | D | C | -1.6007 | |
| 417 | P | C | -0.6983 | |
| 418 | L | C | 0.0000 | |
| 419 | V | C | 0.2457 | |
| 420 | F | C | 0.7705 | |
| 421 | P | C | 0.0000 | |
| 422 | S | C | 0.0000 | |
| 423 | D | C | 0.5959 | |
| 424 | E | C | 0.0000 | |
| 425 | F | C | 2.1706 | |
| 426 | D | C | 0.6898 | |
| 427 | A | C | 0.0000 | |
| 428 | S | C | 0.0000 | |
| 429 | I | C | -0.2348 | |
| 430 | S | C | -1.0367 | |
| 431 | Q | C | 0.0000 | |
| 432 | V | C | 0.0000 | |
| 433 | N | C | -0.9132 | |
| 434 | E | C | -1.4606 | |
| 435 | K | C | -0.6463 | |
| 436 | I | C | -0.4855 | |
| 437 | N | C | -0.7808 | |
| 438 | Q | C | -0.5813 | |
| 439 | S | C | 0.0000 | |
| 440 | L | C | 0.4477 | |
| 441 | A | C | -0.4284 | |
| 442 | W | C | -0.2409 | mutated: FW442C |
| 443 | I | C | -0.2852 | |
| 444 | R | C | -1.9958 | |
| 445 | K | C | -1.6952 | |
| 446 | F | C | 0.0000 | mutated: SF446C |
| 447 | D | C | -2.0263 | |
| 448 | E | C | -2.3742 | |
| 449 | L | C | -0.4592 | |
| 450 | L | C | 0.1541 | |
| 451 | H | C | -1.0207 |
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, -0.4738 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_7 | -0.4738 | View | CSV | PDB |
| model_6 | -0.4889 | View | CSV | PDB |
| model_2 | -0.4891 | View | CSV | PDB |
| model_4 | -0.4905 | View | CSV | PDB |
| model_8 | -0.491 | View | CSV | PDB |
| model_9 | -0.4959 | View | CSV | PDB |
| CABS_average | -0.5118 | View | CSV | PDB |
| model_11 | -0.5155 | View | CSV | PDB |
| model_1 | -0.52 | View | CSV | PDB |
| model_3 | -0.5366 | View | CSV | PDB |
| model_0 | -0.5453 | View | CSV | PDB |
| model_10 | -0.5458 | View | CSV | PDB |
| model_5 | -0.5487 | View | CSV | PDB |
| input | -0.6332 | 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