Project name: RSV_sd_505V508IS509L [mutate: VC94A, NC120A, VC94C, NC120C, VC94B, NC120B, NP42A, NP42C, NP42B, QP216A, QP216C, QP216B, SP314A, SP314C, SP314B, SP152A, SP152C, SP152B, FV442A, FV442C, FV442B, KI445A, KI445C, KI445B, SL446A, SL446C, SL446B]
Status: done
Started: 2025-12-13 15:40:38
| 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 | SL446A,KI445A,FV442A,SP152B,VC94B,FV442B,SP314A,QP216A,KI445B,VC94A,SP152A,SP152C,VC94C,SP314C,NC120B,QP216B,KI445C,SP314B,SL446C,FV442C,NP42C,NP42A,NC120A,NP42B,QP216C,SL446B,NC120C |
| Energy difference between WT (input) and mutated protein (by FoldX) | -18.2638 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 (00:31:33)
[INFO] CABS: Running CABS flex simulation (00:44:24)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (08:20:33)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (08:21:01)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (08:21:26)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (08:21:51)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (08:22:15)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (08:22:43)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (08:23:11)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (08:23:39)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (08:24:07)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (08:24:35)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (08:25:03)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (08:25:31)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (08:25:59)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (08:26:56)
[INFO] Main: Simulation completed successfully. (08:27:23)
|
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
- -3.6538
- Maximal score value
- 2.1159
- Average score
- -0.4953
- Total score value
- -670.1765
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 | -2.3241 | |
| 2 | N | A | -2.3140 | |
| 3 | I | A | -1.5530 | |
| 4 | T | A | -1.0308 | |
| 5 | E | A | 0.0000 | |
| 6 | E | A | 0.4288 | |
| 7 | F | A | 0.0000 | |
| 8 | Y | A | -0.0057 | |
| 9 | Q | A | 0.0000 | |
| 10 | S | A | 0.0000 | |
| 11 | T | A | 0.0000 | |
| 12 | C | A | 0.0000 | |
| 13 | S | A | 0.0000 | |
| 14 | A | A | 0.0000 | |
| 15 | V | A | 0.0000 | |
| 16 | S | A | 0.0000 | |
| 17 | K | A | -0.6899 | |
| 18 | G | A | -0.7458 | |
| 19 | Y | A | -0.6580 | |
| 20 | L | A | -0.4034 | |
| 21 | S | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | R | A | 0.0000 | |
| 25 | T | A | 0.0333 | |
| 26 | G | A | 0.0000 | |
| 27 | W | A | 0.0000 | |
| 28 | Y | A | 0.0000 | |
| 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 | -1.7466 | |
| 36 | L | A | 0.0000 | |
| 37 | S | A | 0.0000 | |
| 38 | N | A | -2.0428 | |
| 39 | I | A | -1.8810 | |
| 40 | K | A | -2.8163 | |
| 41 | E | A | -2.8991 | |
| 42 | P | A | -2.3004 | mutated: NP42A |
| 43 | K | A | -2.6641 | |
| 44 | C | A | 0.0000 | |
| 45 | N | A | -2.2578 | |
| 46 | G | A | -1.7292 | |
| 47 | T | A | -1.2279 | |
| 48 | D | A | -1.4543 | |
| 49 | A | A | -1.2085 | |
| 50 | K | A | -1.6465 | |
| 51 | V | A | 0.0000 | |
| 52 | K | A | -1.9591 | |
| 53 | L | A | 0.0000 | |
| 54 | I | A | 0.0000 | |
| 55 | K | A | -2.5083 | |
| 56 | Q | A | -1.8901 | |
| 57 | E | A | 0.0000 | |
| 58 | L | A | -2.0698 | |
| 59 | D | A | -2.6274 | |
| 60 | K | A | -1.6856 | |
| 61 | Y | A | 0.0000 | |
| 62 | K | A | -2.0403 | |
| 63 | N | A | -1.4828 | |
| 64 | A | A | 0.0000 | |
| 65 | V | A | 0.0000 | |
| 66 | T | A | -0.7348 | |
| 67 | E | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | Q | A | -1.3351 | |
| 70 | L | A | -0.6697 | |
| 71 | L | A | 0.0000 | |
| 72 | M | A | -0.7989 | |
| 73 | Q | A | -1.4287 | |
| 74 | S | A | 0.0000 | |
| 75 | T | A | -0.4809 | |
| 76 | P | A | -0.2413 | |
| 77 | A | A | 0.0000 | |
| 78 | A | A | 0.1609 | |
| 79 | G | A | 0.0000 | |
| 80 | G | A | -0.2215 | |
| 81 | G | A | 0.0000 | |
| 82 | G | A | -0.2189 | |
| 83 | S | A | -0.1056 | |
| 84 | A | A | 0.7304 | |
| 85 | I | A | 1.5572 | |
| 86 | A | A | 0.0000 | |
| 87 | S | A | 0.4100 | |
| 88 | G | A | 0.0000 | |
| 89 | I | A | 0.0000 | |
| 90 | A | A | 0.0000 | |
| 91 | V | A | 0.0000 | |
| 92 | S | A | 0.0000 | |
| 93 | K | A | -0.3787 | |
| 94 | C | A | -0.1672 | mutated: VC94A |
| 95 | L | A | 0.0000 | |
| 96 | H | A | -0.6734 | |
| 97 | L | A | 0.2166 | |
| 98 | E | A | -1.6455 | |
| 99 | G | A | -1.3988 | |
| 100 | E | A | -1.6135 | |
| 101 | V | A | 0.0000 | |
| 102 | N | A | -2.2583 | |
| 103 | K | A | -1.6726 | |
| 104 | I | A | 0.0000 | |
| 105 | K | A | -0.9779 | |
| 106 | S | A | -0.5199 | |
| 107 | A | A | 0.2616 | |
| 108 | L | A | 0.7190 | |
| 109 | L | A | 1.1367 | |
| 110 | S | A | 0.2247 | |
| 111 | T | A | -0.3868 | |
| 112 | N | A | -1.3228 | |
| 113 | K | A | -0.7944 | |
| 114 | A | A | 0.4217 | |
| 115 | V | A | 1.3631 | |
| 116 | V | A | 0.0000 | |
| 117 | S | A | 0.1431 | |
| 118 | L | A | 0.0000 | |
| 119 | S | A | -0.5749 | |
| 120 | C | A | 0.0000 | mutated: NC120A |
| 121 | G | A | -1.2115 | |
| 122 | V | A | -0.0857 | |
| 123 | S | A | 0.3739 | |
| 124 | V | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | T | A | 0.0000 | |
| 127 | S | A | 0.0000 | |
| 128 | K | A | -0.8309 | |
| 129 | V | A | -0.6329 | |
| 130 | L | A | 0.0000 | |
| 131 | D | A | -1.5554 | |
| 132 | L | A | 0.0000 | |
| 133 | K | A | -2.3285 | |
| 134 | N | A | -2.8662 | |
| 135 | Y | A | -1.9286 | |
| 136 | I | A | 0.0000 | |
| 137 | D | A | -2.8251 | |
| 138 | K | A | -2.7373 | |
| 139 | Q | A | -1.3115 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | -0.0792 | |
| 142 | P | A | -0.5267 | |
| 143 | I | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | N | A | -1.6890 | |
| 146 | K | A | -1.6592 | |
| 147 | Q | A | -1.5838 | |
| 148 | S | A | -0.8237 | |
| 149 | C | A | -0.4363 | |
| 150 | S | A | -0.9800 | |
| 151 | I | A | 0.0000 | |
| 152 | P | A | -0.6758 | mutated: SP152A |
| 153 | N | A | -1.1176 | |
| 154 | I | A | -0.6257 | |
| 155 | E | A | 0.0000 | |
| 156 | T | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | I | A | -0.0826 | |
| 159 | E | A | 0.0000 | |
| 160 | F | A | 0.0000 | |
| 161 | Q | A | -0.5665 | |
| 162 | Q | A | -0.8161 | |
| 163 | K | A | -0.9148 | |
| 164 | N | A | 0.0000 | |
| 165 | N | A | -0.9955 | |
| 166 | R | A | -0.9091 | |
| 167 | L | A | 0.0000 | |
| 168 | L | A | -0.7692 | |
| 169 | E | A | -0.9586 | |
| 170 | I | A | 0.0000 | |
| 171 | T | A | 0.0000 | |
| 172 | R | A | -0.6756 | |
| 173 | E | A | -0.6447 | |
| 174 | F | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | V | A | -0.0699 | |
| 177 | N | A | -0.5048 | |
| 178 | A | A | -0.1763 | |
| 179 | G | A | 0.0000 | |
| 180 | V | A | 0.2822 | |
| 181 | T | A | 0.0000 | |
| 182 | T | A | -0.0284 | |
| 183 | P | A | -0.0862 | |
| 184 | V | A | 0.0000 | |
| 185 | S | A | -0.3109 | |
| 186 | T | A | 0.0000 | |
| 187 | Y | A | 0.0000 | |
| 188 | M | A | 0.0000 | |
| 189 | L | A | 0.0000 | |
| 190 | T | A | 0.0000 | |
| 191 | N | A | -0.0115 | |
| 192 | S | A | -0.0826 | |
| 193 | E | A | -0.4973 | |
| 194 | L | A | 0.0000 | |
| 195 | L | A | 0.3009 | |
| 196 | S | A | -0.7119 | |
| 197 | L | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | N | A | -2.1938 | |
| 200 | D | A | -2.1538 | |
| 201 | M | A | 0.0000 | |
| 202 | P | A | -0.5856 | |
| 203 | I | A | -0.9680 | |
| 204 | T | A | -1.7819 | |
| 205 | N | A | -3.1498 | |
| 206 | D | A | -2.9914 | |
| 207 | Q | A | -1.9675 | |
| 208 | K | A | -2.7406 | |
| 209 | K | A | -3.2351 | |
| 210 | L | A | -1.7973 | |
| 211 | M | A | 0.0000 | |
| 212 | S | A | -1.4170 | |
| 213 | N | A | -1.4311 | |
| 214 | N | A | -0.7992 | |
| 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 | -0.3027 | |
| 221 | Q | A | -0.2423 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | 0.4814 | |
| 224 | S | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | M | A | 0.0000 | |
| 227 | S | A | 0.0000 | |
| 228 | I | A | 0.0000 | |
| 229 | I | A | -1.1150 | |
| 230 | K | A | -2.0763 | |
| 231 | E | A | -2.7607 | |
| 232 | E | A | -2.4693 | |
| 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 | 0.1615 | |
| 243 | Y | A | 0.0000 | |
| 244 | G | A | 0.0758 | |
| 245 | V | A | 0.2226 | |
| 246 | I | A | -0.0840 | |
| 247 | D | A | -1.2190 | |
| 248 | T | A | 0.0000 | |
| 249 | P | A | -0.5037 | |
| 250 | C | A | 0.0000 | |
| 251 | W | A | -0.0343 | |
| 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 | -0.1445 | |
| 258 | L | A | 0.0000 | |
| 259 | C | A | 0.1868 | |
| 260 | T | A | 0.0387 | |
| 261 | T | A | -0.5469 | |
| 262 | N | A | 0.0000 | |
| 263 | T | A | -0.9811 | |
| 264 | K | A | -1.6310 | |
| 265 | E | A | 0.0000 | |
| 266 | G | A | -1.3279 | |
| 267 | S | A | -0.9015 | |
| 268 | N | A | -0.8382 | |
| 269 | I | A | 0.0000 | |
| 270 | C | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | T | A | 0.0101 | |
| 273 | R | A | 0.0000 | |
| 274 | T | A | -0.7729 | |
| 275 | D | A | -1.3172 | |
| 276 | R | A | -1.4966 | |
| 277 | G | A | 0.0000 | |
| 278 | W | A | 0.0000 | |
| 279 | Y | A | 0.0000 | |
| 280 | C | A | 0.0000 | |
| 281 | D | A | -0.5676 | |
| 282 | N | A | 0.0000 | |
| 283 | A | A | -0.3814 | |
| 284 | G | A | -0.6299 | |
| 285 | S | A | -0.6995 | |
| 286 | V | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | F | A | -0.0086 | |
| 289 | F | A | 0.0000 | |
| 290 | P | A | -1.2488 | |
| 291 | Q | A | -1.9790 | |
| 292 | A | A | 0.0000 | |
| 293 | E | A | -2.1838 | |
| 294 | T | A | -1.2862 | |
| 295 | C | A | -0.7022 | |
| 296 | K | A | -0.6456 | |
| 297 | V | A | -0.3933 | |
| 298 | Q | A | -0.4980 | |
| 299 | S | A | -0.9052 | |
| 300 | N | A | -0.9548 | |
| 301 | R | A | -0.9074 | |
| 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 | -0.4359 | |
| 308 | N | A | -1.1302 | |
| 309 | S | A | -0.4702 | |
| 310 | L | A | 0.2189 | |
| 311 | T | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | P | A | -0.5720 | |
| 314 | P | A | -0.9612 | mutated: SP314A |
| 315 | E | A | -1.4725 | |
| 316 | V | A | -0.9260 | |
| 317 | N | A | -0.7697 | |
| 318 | L | A | -0.6069 | |
| 319 | C | A | 0.0000 | |
| 320 | N | A | -0.2014 | |
| 321 | V | A | 0.2431 | |
| 322 | D | A | -0.7836 | |
| 323 | I | A | 0.0805 | |
| 324 | F | A | 0.0000 | |
| 325 | N | A | 0.0000 | |
| 326 | P | A | -1.0675 | |
| 327 | K | A | -2.3569 | |
| 328 | Y | A | 0.0000 | |
| 329 | D | A | 0.0000 | |
| 330 | C | A | -0.5385 | |
| 331 | K | A | 0.0542 | |
| 332 | I | A | 0.0000 | |
| 333 | M | A | 0.6361 | |
| 334 | T | A | 0.0000 | |
| 335 | S | A | 0.0351 | |
| 336 | K | A | 0.0000 | |
| 337 | T | A | -0.2506 | |
| 338 | D | A | -0.1307 | |
| 339 | V | A | 0.2644 | |
| 340 | S | A | 0.0000 | |
| 341 | S | A | -0.0864 | |
| 342 | S | A | -0.0682 | |
| 343 | V | A | 0.0000 | |
| 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 | 0.4686 | |
| 355 | G | A | -0.3719 | |
| 356 | K | A | -0.3962 | |
| 357 | T | A | -0.7663 | |
| 358 | K | A | -1.2967 | |
| 359 | C | A | 0.0000 | |
| 360 | T | A | -0.2013 | |
| 361 | A | A | 0.0000 | |
| 362 | S | A | -0.0514 | |
| 363 | N | A | 0.0000 | |
| 364 | K | A | -1.7204 | |
| 365 | N | A | -2.4463 | |
| 366 | R | A | -2.5183 | |
| 367 | G | A | -1.1173 | |
| 368 | I | A | 0.6602 | |
| 369 | I | A | 1.6372 | |
| 370 | K | A | 0.2564 | |
| 371 | T | A | 0.0071 | |
| 372 | F | A | 0.1666 | |
| 373 | S | A | -0.2312 | |
| 374 | N | A | -0.4817 | |
| 375 | G | A | -0.5107 | |
| 376 | C | A | 0.0000 | |
| 377 | D | A | -0.6051 | |
| 378 | Y | A | 0.0000 | |
| 379 | V | A | 0.2861 | |
| 380 | S | A | -0.3819 | |
| 381 | N | A | -1.3241 | |
| 382 | K | A | -2.3178 | |
| 383 | G | A | -1.9263 | |
| 384 | V | A | 0.0000 | |
| 385 | D | A | 0.0000 | |
| 386 | T | A | 0.0000 | |
| 387 | V | A | 0.0000 | |
| 388 | S | A | -0.4470 | |
| 389 | V | A | 0.0000 | |
| 390 | G | A | -0.9510 | |
| 391 | N | A | -0.8159 | |
| 392 | T | A | 0.0000 | |
| 393 | L | A | 0.0000 | |
| 394 | Y | A | 0.0000 | |
| 395 | Y | A | 0.0000 | |
| 396 | V | A | 0.0000 | |
| 397 | N | A | 0.0000 | |
| 398 | K | A | -1.0498 | |
| 399 | Q | A | -1.3573 | |
| 400 | E | A | -2.0515 | |
| 401 | G | A | -2.0855 | |
| 402 | K | A | -1.9759 | |
| 403 | S | A | -0.1385 | |
| 404 | L | A | 1.6535 | |
| 405 | Y | A | 1.7241 | |
| 406 | V | A | 0.5949 | |
| 407 | K | A | -1.5520 | |
| 408 | G | A | -1.8936 | |
| 409 | E | A | -2.5644 | |
| 410 | P | A | -1.3310 | |
| 411 | I | A | 0.0000 | |
| 412 | I | A | 0.0000 | |
| 413 | N | A | -0.4497 | |
| 414 | F | A | 0.7361 | |
| 415 | Y | A | -0.0133 | |
| 416 | D | A | -1.1899 | |
| 417 | P | A | -0.0914 | |
| 418 | L | A | 0.6712 | |
| 419 | V | A | 1.4992 | |
| 420 | F | A | 0.6626 | |
| 421 | P | A | 0.0000 | |
| 422 | S | A | 0.0000 | |
| 423 | D | A | 0.3390 | |
| 424 | E | A | 0.9074 | |
| 425 | F | A | 2.1044 | |
| 426 | D | A | 0.0000 | |
| 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 | -1.7897 | |
| 434 | E | A | -2.0798 | |
| 435 | K | A | -1.3347 | |
| 436 | I | A | 0.0000 | |
| 437 | N | A | -1.7858 | |
| 438 | Q | A | -1.1120 | |
| 439 | S | A | 0.0269 | |
| 440 | L | A | 1.0719 | |
| 441 | A | A | 0.3091 | |
| 442 | V | A | 0.5501 | mutated: FV442A |
| 443 | I | A | 0.6968 | |
| 444 | R | A | -1.3273 | |
| 445 | I | A | -0.2870 | mutated: KI445A |
| 446 | L | A | -0.0819 | mutated: SL446A |
| 447 | D | A | -2.1324 | |
| 448 | E | A | -1.8447 | |
| 449 | L | A | -0.0127 | |
| 450 | L | A | 0.4758 | |
| 451 | H | A | -0.9750 | |
| 1 | Q | B | -1.2591 | |
| 2 | N | B | -1.8911 | |
| 3 | I | B | 0.0000 | |
| 4 | T | B | -1.0989 | |
| 5 | E | B | 0.0000 | |
| 6 | E | B | 0.0904 | |
| 7 | F | B | 0.0000 | |
| 8 | Y | B | -0.3602 | |
| 9 | Q | B | 0.0000 | |
| 10 | S | B | -1.2532 | |
| 11 | T | B | -0.4065 | |
| 12 | C | B | 0.0000 | |
| 13 | S | B | -0.4480 | |
| 14 | A | B | 0.0000 | |
| 15 | V | B | 0.0000 | |
| 16 | S | B | 0.0000 | |
| 17 | K | B | -0.7408 | |
| 18 | G | B | -0.6126 | |
| 19 | Y | B | -0.4869 | |
| 20 | L | B | -0.4160 | |
| 21 | S | B | 0.0000 | |
| 22 | A | B | 0.0000 | |
| 23 | L | B | 0.0000 | |
| 24 | R | B | 0.0000 | |
| 25 | T | B | 0.1015 | |
| 26 | G | B | 0.1654 | |
| 27 | W | B | 0.4443 | |
| 28 | Y | B | 0.2606 | |
| 29 | T | B | 0.0000 | |
| 30 | S | B | 0.0000 | |
| 31 | V | B | 0.0000 | |
| 32 | I | B | 0.0000 | |
| 33 | T | B | 0.0000 | |
| 34 | I | B | 0.0000 | |
| 35 | E | B | -1.8256 | |
| 36 | L | B | 0.0000 | |
| 37 | S | B | -2.4696 | |
| 38 | N | B | -2.4559 | |
| 39 | I | B | 0.0000 | |
| 40 | K | B | -2.8971 | |
| 41 | E | B | -2.8900 | |
| 42 | P | B | -2.4204 | mutated: NP42B |
| 43 | K | B | -3.3589 | |
| 44 | C | B | 0.0000 | |
| 45 | N | B | -3.6538 | |
| 46 | G | B | -2.8358 | |
| 47 | T | B | -2.2153 | |
| 48 | D | B | -2.7337 | |
| 49 | A | B | -1.9020 | |
| 50 | K | B | -2.0054 | |
| 51 | V | B | 0.0000 | |
| 52 | K | B | -2.8585 | |
| 53 | L | B | 0.0000 | |
| 54 | I | B | 0.0000 | |
| 55 | K | B | -2.5044 | |
| 56 | Q | B | -1.8226 | |
| 57 | E | B | 0.0000 | |
| 58 | L | B | 0.0000 | |
| 59 | D | B | -2.2761 | |
| 60 | K | B | -1.7489 | |
| 61 | Y | B | 0.0000 | |
| 62 | K | B | -2.4332 | |
| 63 | N | B | -2.1857 | |
| 64 | A | B | 0.0000 | |
| 65 | V | B | 0.0000 | |
| 66 | T | B | -0.9930 | |
| 67 | E | B | 0.0000 | |
| 68 | L | B | 0.0000 | |
| 69 | Q | B | -1.1659 | |
| 70 | L | B | -0.3556 | |
| 71 | L | B | 0.0000 | |
| 72 | M | B | -0.6898 | |
| 73 | Q | B | -1.3220 | |
| 74 | S | B | 0.0000 | |
| 75 | T | B | -0.5004 | |
| 76 | P | B | 0.0000 | |
| 77 | A | B | -0.3896 | |
| 78 | A | B | -0.1124 | |
| 79 | G | B | 0.0000 | |
| 80 | G | B | 0.0000 | |
| 81 | G | B | 0.0000 | |
| 82 | G | B | -1.5747 | |
| 83 | S | B | -0.6136 | |
| 84 | A | B | 0.0000 | |
| 85 | I | B | 0.4234 | |
| 86 | A | B | 0.0000 | |
| 87 | S | B | 0.0774 | |
| 88 | G | B | 0.0000 | |
| 89 | I | B | 0.0000 | |
| 90 | A | B | 0.0000 | |
| 91 | V | B | 0.0000 | |
| 92 | S | B | 0.0000 | |
| 93 | K | B | -0.8911 | |
| 94 | C | B | -0.5956 | mutated: VC94B |
| 95 | L | B | 0.0000 | |
| 96 | H | B | -1.1663 | |
| 97 | L | B | -0.5647 | |
| 98 | E | B | -2.1625 | |
| 99 | G | B | -2.0899 | |
| 100 | E | B | 0.0000 | |
| 101 | V | B | -1.7903 | |
| 102 | N | B | -2.7160 | |
| 103 | K | B | -2.4097 | |
| 104 | I | B | 0.0000 | |
| 105 | K | B | -1.2796 | |
| 106 | S | B | -0.7265 | |
| 107 | A | B | -0.3576 | |
| 108 | L | B | 0.0000 | |
| 109 | L | B | 0.9283 | |
| 110 | S | B | 0.2424 | |
| 111 | T | B | -0.3315 | |
| 112 | N | B | -0.7601 | |
| 113 | K | B | -1.4655 | |
| 114 | A | B | -0.0630 | |
| 115 | V | B | 1.3913 | |
| 116 | V | B | 0.4798 | |
| 117 | S | B | 0.2872 | |
| 118 | L | B | 0.0000 | |
| 119 | S | B | -0.3448 | |
| 120 | C | B | -0.7653 | mutated: NC120B |
| 121 | G | B | -0.9298 | |
| 122 | V | B | -0.2596 | |
| 123 | S | B | 0.2209 | |
| 124 | V | B | 0.0000 | |
| 125 | L | B | 0.0000 | |
| 126 | T | B | 0.0000 | |
| 127 | S | B | 0.0000 | |
| 128 | K | B | -1.3893 | |
| 129 | V | B | -0.3858 | |
| 130 | L | B | 0.0000 | |
| 131 | D | B | -1.4602 | |
| 132 | L | B | 0.0000 | |
| 133 | K | B | -3.0862 | |
| 134 | N | B | -2.8260 | |
| 135 | Y | B | -2.0572 | |
| 136 | I | B | 0.0000 | |
| 137 | D | B | -3.1176 | |
| 138 | K | B | -3.1379 | |
| 139 | Q | B | -2.2017 | |
| 140 | L | B | 0.0000 | |
| 141 | L | B | -1.7951 | |
| 142 | P | B | -1.8720 | |
| 143 | I | B | 0.0000 | |
| 144 | V | B | 0.0000 | |
| 145 | N | B | -3.2805 | |
| 146 | K | B | -3.4732 | |
| 147 | Q | B | -3.2905 | |
| 148 | S | B | -2.0948 | |
| 149 | C | B | 0.0000 | |
| 150 | S | B | -1.3448 | |
| 151 | I | B | 0.0000 | |
| 152 | P | B | -0.9461 | mutated: SP152B |
| 153 | N | B | -1.6399 | |
| 154 | I | B | 0.0000 | |
| 155 | E | B | 0.0000 | |
| 156 | T | B | 0.0000 | |
| 157 | V | B | 0.0000 | |
| 158 | I | B | 0.0000 | |
| 159 | E | B | -0.5189 | |
| 160 | F | B | 0.0000 | |
| 161 | Q | B | -0.6460 | |
| 162 | Q | B | -0.6235 | |
| 163 | K | B | 0.0000 | |
| 164 | N | B | 0.0000 | |
| 165 | N | B | -0.6674 | |
| 166 | R | B | -0.4376 | |
| 167 | L | B | 0.0000 | |
| 168 | L | B | -0.4812 | |
| 169 | E | B | -0.5886 | |
| 170 | I | B | 0.0000 | |
| 171 | T | B | 0.0000 | |
| 172 | R | B | -0.8289 | |
| 173 | E | B | -0.8366 | |
| 174 | F | B | 0.0000 | |
| 175 | S | B | 0.0000 | |
| 176 | V | B | -0.5965 | |
| 177 | N | B | -1.1737 | |
| 178 | A | B | 0.0000 | |
| 179 | G | B | 0.0000 | |
| 180 | V | B | 0.0014 | |
| 181 | T | B | 0.0000 | |
| 182 | T | B | 0.0385 | |
| 183 | P | B | 0.0000 | |
| 184 | V | B | 0.0000 | |
| 185 | S | B | -0.1209 | |
| 186 | T | B | 0.1221 | |
| 187 | Y | B | 0.1775 | |
| 188 | M | B | 0.3800 | |
| 189 | L | B | 0.0000 | |
| 190 | T | B | 0.1027 | |
| 191 | N | B | 0.0000 | |
| 192 | S | B | 0.0468 | |
| 193 | E | B | -0.2278 | |
| 194 | L | B | 0.0000 | |
| 195 | L | B | 0.0106 | |
| 196 | S | B | -0.5505 | |
| 197 | L | B | 0.0000 | |
| 198 | I | B | 0.0000 | |
| 199 | N | B | -1.4550 | |
| 200 | D | B | -0.7273 | |
| 201 | M | B | 0.0000 | |
| 202 | P | B | -0.6836 | |
| 203 | I | B | -1.1264 | |
| 204 | T | B | -1.6588 | |
| 205 | N | B | -2.6698 | |
| 206 | D | B | -2.6279 | |
| 207 | Q | B | -2.1050 | |
| 208 | K | B | -2.7908 | |
| 209 | K | B | -2.9489 | |
| 210 | L | B | -1.5311 | |
| 211 | M | B | 0.0000 | |
| 212 | S | B | -1.0072 | |
| 213 | N | B | -0.9239 | |
| 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 | 0.0000 | |
| 221 | Q | B | -0.1004 | |
| 222 | S | B | 0.0000 | |
| 223 | Y | B | 0.5988 | |
| 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 | -1.3672 | |
| 230 | K | B | -2.4125 | |
| 231 | E | B | -3.1444 | |
| 232 | E | B | -2.7971 | |
| 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 | 0.0973 | |
| 243 | Y | B | 0.0000 | |
| 244 | G | B | -0.0384 | |
| 245 | V | B | -0.1842 | |
| 246 | I | B | -0.5417 | |
| 247 | D | B | -1.6240 | |
| 248 | T | B | -0.8086 | |
| 249 | P | B | -0.6429 | |
| 250 | C | B | 0.0000 | |
| 251 | W | B | -0.2706 | |
| 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 | -0.2380 | |
| 258 | L | B | 0.0000 | |
| 259 | C | B | 0.0000 | |
| 260 | T | B | 0.3616 | |
| 261 | T | B | -0.4661 | |
| 262 | N | B | -1.3474 | |
| 263 | T | B | 0.0000 | |
| 264 | K | B | -2.5025 | |
| 265 | E | B | -2.7467 | |
| 266 | G | B | -1.5086 | |
| 267 | S | B | -0.9795 | |
| 268 | N | B | 0.0000 | |
| 269 | I | B | 0.5538 | |
| 270 | C | B | 0.0000 | |
| 271 | L | B | 0.0000 | |
| 272 | T | B | -0.2226 | |
| 273 | R | B | -0.6662 | |
| 274 | T | B | -0.9299 | |
| 275 | D | B | -1.5860 | |
| 276 | R | B | -1.5120 | |
| 277 | G | B | 0.0000 | |
| 278 | W | B | 0.0000 | |
| 279 | Y | B | 0.0000 | |
| 280 | C | B | 0.0000 | |
| 281 | D | B | -0.7870 | |
| 282 | N | B | -0.7055 | |
| 283 | A | B | -0.4258 | |
| 284 | G | B | -0.6931 | |
| 285 | S | B | -0.6145 | |
| 286 | V | B | 0.0000 | |
| 287 | S | B | 0.0000 | |
| 288 | F | B | -0.0693 | |
| 289 | F | B | 0.0000 | |
| 290 | P | B | -1.1891 | |
| 291 | Q | B | -1.9221 | |
| 292 | A | B | 0.0000 | |
| 293 | E | B | -1.4119 | |
| 294 | T | B | -1.0653 | |
| 295 | C | B | 0.0000 | |
| 296 | K | B | -0.7891 | |
| 297 | V | B | -0.3613 | |
| 298 | Q | B | 0.0000 | |
| 299 | S | B | -0.6510 | |
| 300 | N | B | -0.6608 | |
| 301 | R | B | 0.0000 | |
| 302 | V | B | 0.0000 | |
| 303 | F | B | 0.0000 | |
| 304 | C | B | 0.0000 | |
| 305 | D | B | -0.4531 | |
| 306 | T | B | 0.0000 | |
| 307 | M | B | -0.1345 | |
| 308 | N | B | -1.1834 | |
| 309 | S | B | -0.4046 | |
| 310 | L | B | 0.2857 | |
| 311 | T | B | 0.0000 | |
| 312 | L | B | 0.0000 | |
| 313 | P | B | -0.8363 | |
| 314 | P | B | -0.8743 | mutated: SP314B |
| 315 | E | B | -1.2478 | |
| 316 | V | B | 0.0000 | |
| 317 | N | B | -0.6389 | |
| 318 | L | B | -0.2946 | |
| 319 | C | B | -0.0128 | |
| 320 | N | B | -0.1164 | |
| 321 | V | B | 0.3699 | |
| 322 | D | B | -0.7165 | |
| 323 | I | B | 0.9136 | |
| 324 | F | B | 0.9425 | |
| 325 | N | B | -0.6475 | |
| 326 | P | B | -0.9876 | |
| 327 | K | B | -2.2161 | |
| 328 | Y | B | 0.0000 | |
| 329 | D | B | 0.0000 | |
| 330 | C | B | 0.0000 | |
| 331 | K | B | -0.4781 | |
| 332 | I | B | -0.0317 | |
| 333 | M | B | 0.2625 | |
| 334 | T | B | 0.0000 | |
| 335 | S | B | 0.4376 | |
| 336 | K | B | 0.0000 | |
| 337 | T | B | -0.2384 | |
| 338 | D | B | 0.0000 | |
| 339 | V | B | 0.1126 | |
| 340 | S | B | 0.0000 | |
| 341 | S | B | -0.1070 | |
| 342 | S | B | -0.1918 | |
| 343 | V | B | 0.0000 | |
| 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 | -0.2969 | |
| 355 | G | B | -0.7144 | |
| 356 | K | B | -1.0201 | |
| 357 | T | B | -1.1433 | |
| 358 | K | B | -1.6911 | |
| 359 | C | B | 0.0000 | |
| 360 | T | B | -0.1657 | |
| 361 | A | B | 0.0000 | |
| 362 | S | B | -0.0704 | |
| 363 | N | B | -1.1146 | |
| 364 | K | B | -1.7864 | |
| 365 | N | B | -2.5595 | |
| 366 | R | B | -2.1517 | |
| 367 | G | B | -0.7283 | |
| 368 | I | B | 1.2424 | |
| 369 | I | B | 1.6861 | |
| 370 | K | B | -0.3006 | |
| 371 | T | B | -0.2751 | |
| 372 | F | B | -0.2351 | |
| 373 | S | B | -0.6414 | |
| 374 | N | B | -0.5900 | |
| 375 | G | B | 0.0000 | |
| 376 | C | B | 0.0000 | |
| 377 | D | B | 0.0000 | |
| 378 | Y | B | 0.0000 | |
| 379 | V | B | 0.2441 | |
| 380 | S | B | -0.2155 | |
| 381 | N | B | 0.0000 | |
| 382 | K | B | -1.7788 | |
| 383 | G | B | -0.6867 | |
| 384 | V | B | 0.0000 | |
| 385 | D | B | 0.0000 | |
| 386 | T | B | -0.0404 | |
| 387 | V | B | 0.0000 | |
| 388 | S | B | -0.1861 | |
| 389 | V | B | 0.0000 | |
| 390 | G | B | -1.0816 | |
| 391 | N | B | -0.7927 | |
| 392 | T | B | 0.0000 | |
| 393 | L | B | -0.0009 | |
| 394 | Y | B | 0.0000 | |
| 395 | Y | B | 0.3730 | |
| 396 | V | B | 0.0000 | |
| 397 | N | B | 0.0000 | |
| 398 | K | B | -1.6674 | |
| 399 | Q | B | 0.0000 | |
| 400 | E | B | -2.7558 | |
| 401 | G | B | -2.1461 | |
| 402 | K | B | -1.7934 | |
| 403 | S | B | -0.2150 | |
| 404 | L | B | 1.5853 | |
| 405 | Y | B | 1.2569 | |
| 406 | V | B | -0.2873 | |
| 407 | K | B | -2.3868 | |
| 408 | G | B | -2.1593 | |
| 409 | E | B | -2.2512 | |
| 410 | P | B | 0.0000 | |
| 411 | I | B | 1.2149 | |
| 412 | I | B | 1.2066 | |
| 413 | N | B | -0.1344 | |
| 414 | F | B | 0.8375 | |
| 415 | Y | B | 0.1415 | |
| 416 | D | B | -1.3355 | |
| 417 | P | B | -0.5314 | |
| 418 | L | B | 0.1920 | |
| 419 | V | B | 0.4739 | |
| 420 | F | B | 0.0000 | |
| 421 | P | B | -0.2533 | |
| 422 | S | B | -0.0123 | |
| 423 | D | B | 0.3087 | |
| 424 | E | B | 0.7757 | |
| 425 | F | B | 1.8991 | |
| 426 | D | B | 0.5390 | |
| 427 | A | B | 0.0000 | |
| 428 | S | B | 0.0000 | |
| 429 | I | B | -0.2718 | |
| 430 | S | B | -0.6887 | |
| 431 | Q | B | 0.0000 | |
| 432 | V | B | 0.0000 | |
| 433 | N | B | -0.6386 | |
| 434 | E | B | -1.1514 | |
| 435 | K | B | -0.9402 | |
| 436 | I | B | 0.0000 | |
| 437 | N | B | -0.6062 | |
| 438 | Q | B | -0.6898 | |
| 439 | S | B | -0.1050 | |
| 440 | L | B | 0.1349 | |
| 441 | A | B | -0.3230 | |
| 442 | V | B | 0.1373 | mutated: FV442B |
| 443 | I | B | -0.0774 | |
| 444 | R | B | -2.0027 | |
| 445 | I | B | -0.8684 | mutated: KI445B |
| 446 | L | B | -0.7848 | mutated: SL446B |
| 447 | D | B | -2.6887 | |
| 448 | E | B | -2.6238 | |
| 449 | L | B | 0.0000 | |
| 450 | L | B | -0.2085 | |
| 451 | H | B | -1.3998 | |
| 1 | Q | C | -1.0305 | |
| 2 | N | C | -1.3228 | |
| 3 | I | C | 0.0000 | |
| 4 | T | C | -0.7412 | |
| 5 | E | C | 0.0000 | |
| 6 | E | C | 0.0691 | |
| 7 | F | C | 0.0000 | |
| 8 | Y | C | -0.3306 | |
| 9 | Q | C | -0.9634 | |
| 10 | S | C | -1.3083 | |
| 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 | -0.6344 | |
| 18 | G | C | -0.2226 | |
| 19 | Y | C | 0.1288 | |
| 20 | L | C | -0.3215 | |
| 21 | S | C | 0.0000 | |
| 22 | A | C | 0.0000 | |
| 23 | L | C | 0.0000 | |
| 24 | R | C | 0.0000 | |
| 25 | T | C | -0.0730 | |
| 26 | G | C | 0.0194 | |
| 27 | W | C | 0.0000 | |
| 28 | Y | C | 0.5817 | |
| 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 | -1.2368 | |
| 36 | L | C | 0.0000 | |
| 37 | S | C | 0.0000 | |
| 38 | N | C | -0.8984 | |
| 39 | I | C | -0.3132 | |
| 40 | K | C | 0.0000 | |
| 41 | E | C | -2.1059 | |
| 42 | P | C | -1.8470 | mutated: NP42C |
| 43 | K | C | -2.9478 | |
| 44 | C | C | 0.0000 | |
| 45 | N | C | -2.6414 | |
| 46 | G | C | -2.2319 | |
| 47 | T | C | -1.3119 | |
| 48 | D | C | -1.2961 | |
| 49 | A | C | -1.2345 | |
| 50 | K | C | 0.0000 | |
| 51 | V | C | 0.0000 | |
| 52 | K | C | -2.1556 | |
| 53 | L | C | 0.0000 | |
| 54 | I | C | 0.0000 | |
| 55 | K | C | -2.6704 | |
| 56 | Q | C | -1.3387 | |
| 57 | E | C | 0.0000 | |
| 58 | L | C | 0.0000 | |
| 59 | D | C | -1.3948 | |
| 60 | K | C | -0.9035 | |
| 61 | Y | C | 0.0000 | |
| 62 | K | C | -1.0349 | |
| 63 | N | C | -0.7769 | |
| 64 | A | C | 0.0000 | |
| 65 | V | C | -0.4188 | |
| 66 | T | C | -0.3369 | |
| 67 | E | C | 0.0000 | |
| 68 | L | C | 0.0000 | |
| 69 | Q | C | -0.9495 | |
| 70 | L | C | -0.4626 | |
| 71 | L | C | 0.0000 | |
| 72 | M | C | -0.4549 | |
| 73 | Q | C | -1.2797 | |
| 74 | S | C | 0.0000 | |
| 75 | T | C | -0.2654 | |
| 76 | P | C | -0.2379 | |
| 77 | A | C | -0.3575 | |
| 78 | A | C | -0.1095 | |
| 79 | G | C | -0.1877 | |
| 80 | G | C | -0.6501 | |
| 81 | G | C | 0.0000 | |
| 82 | G | C | -0.2877 | |
| 83 | S | C | 0.0000 | |
| 84 | A | C | 0.2516 | |
| 85 | I | C | 0.4865 | |
| 86 | A | C | 0.0000 | |
| 87 | S | C | 0.0000 | |
| 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 | -0.7799 | |
| 94 | C | C | 0.0000 | mutated: VC94C |
| 95 | L | C | 0.0000 | |
| 96 | H | C | -1.2675 | |
| 97 | L | C | -0.7283 | |
| 98 | E | C | -2.3224 | |
| 99 | G | C | -1.8775 | |
| 100 | E | C | -1.9074 | |
| 101 | V | C | 0.0000 | |
| 102 | N | C | -2.3561 | |
| 103 | K | C | -2.0836 | |
| 104 | I | C | 0.0000 | |
| 105 | K | C | -1.0579 | |
| 106 | S | C | -0.5293 | |
| 107 | A | C | 0.0000 | |
| 108 | L | C | 0.0000 | |
| 109 | L | C | 0.6976 | |
| 110 | S | C | 0.0524 | |
| 111 | T | C | -0.8513 | |
| 112 | N | C | -2.1251 | |
| 113 | K | C | -2.3119 | |
| 114 | A | C | -0.2172 | |
| 115 | V | C | 1.3627 | |
| 116 | V | C | 0.6066 | |
| 117 | S | C | 0.1234 | |
| 118 | L | C | 0.0000 | |
| 119 | S | C | -0.4622 | |
| 120 | C | C | 0.0000 | mutated: NC120C |
| 121 | G | C | -1.2816 | |
| 122 | V | C | -0.2017 | |
| 123 | S | C | 0.3397 | |
| 124 | V | C | 0.0000 | |
| 125 | L | C | 0.0000 | |
| 126 | T | C | 0.0000 | |
| 127 | S | C | 0.0000 | |
| 128 | K | C | -1.2276 | |
| 129 | V | C | -0.3614 | |
| 130 | L | C | 0.0000 | |
| 131 | D | C | -1.4097 | |
| 132 | L | C | 0.0000 | |
| 133 | K | C | -2.2778 | |
| 134 | N | C | -2.7715 | |
| 135 | Y | C | -1.9958 | |
| 136 | I | C | 0.0000 | |
| 137 | D | C | -2.8189 | |
| 138 | K | C | -2.8659 | |
| 139 | Q | C | -1.5045 | |
| 140 | L | C | 0.0000 | |
| 141 | L | C | -1.1397 | |
| 142 | P | C | -1.5307 | |
| 143 | I | C | -1.4110 | |
| 144 | V | C | -2.1223 | |
| 145 | N | C | -2.4938 | |
| 146 | K | C | -2.7743 | |
| 147 | Q | C | -2.9365 | |
| 148 | S | C | -1.6992 | |
| 149 | C | C | 0.0000 | |
| 150 | S | C | -1.0327 | |
| 151 | I | C | 0.0000 | |
| 152 | P | C | -0.5689 | mutated: SP152C |
| 153 | N | C | -1.0568 | |
| 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 | -0.5976 | |
| 160 | F | C | 0.0000 | |
| 161 | Q | C | -0.8648 | |
| 162 | Q | C | -0.8810 | |
| 163 | K | C | -0.8787 | |
| 164 | N | C | 0.0000 | |
| 165 | N | C | -1.1058 | |
| 166 | R | C | -0.8357 | |
| 167 | L | C | 0.0000 | |
| 168 | L | C | -0.5542 | |
| 169 | E | C | -0.6212 | |
| 170 | I | C | 0.0000 | |
| 171 | T | C | 0.0000 | |
| 172 | R | C | -0.8148 | |
| 173 | E | C | -0.4935 | |
| 174 | F | C | 0.0000 | |
| 175 | S | C | 0.0000 | |
| 176 | V | C | -0.1711 | |
| 177 | N | C | -0.5051 | |
| 178 | A | C | -0.1933 | |
| 179 | G | C | 0.0000 | |
| 180 | V | C | 0.1006 | |
| 181 | T | C | 0.0000 | |
| 182 | T | C | -0.1479 | |
| 183 | P | C | -0.3042 | |
| 184 | V | C | 0.0000 | |
| 185 | S | C | -0.0085 | |
| 186 | T | C | 0.0000 | |
| 187 | Y | C | 0.2690 | |
| 188 | M | C | 0.0000 | |
| 189 | L | C | 0.0000 | |
| 190 | T | C | -0.1044 | |
| 191 | N | C | 0.0000 | |
| 192 | S | C | -0.4610 | |
| 193 | E | C | -0.3006 | |
| 194 | L | C | 0.0000 | |
| 195 | L | C | -0.6566 | |
| 196 | S | C | -1.0755 | |
| 197 | L | C | 0.0000 | |
| 198 | I | C | 0.0000 | |
| 199 | N | C | -1.8350 | |
| 200 | D | C | -0.9563 | |
| 201 | M | C | 0.0000 | |
| 202 | P | C | -0.6151 | |
| 203 | I | C | -1.0948 | |
| 204 | T | C | -1.6364 | |
| 205 | N | C | -2.8290 | |
| 206 | D | C | -3.0158 | |
| 207 | Q | C | 0.0000 | |
| 208 | K | C | -2.3954 | |
| 209 | K | C | -2.7329 | |
| 210 | L | C | -1.5279 | |
| 211 | M | C | 0.0000 | |
| 212 | S | C | -0.9149 | |
| 213 | N | C | -0.7902 | |
| 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 | -0.8906 | |
| 221 | Q | C | -0.3292 | |
| 222 | S | C | 0.0000 | |
| 223 | Y | C | 0.1874 | |
| 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 | -1.0944 | |
| 230 | K | C | -2.2999 | |
| 231 | E | C | -2.3334 | |
| 232 | E | C | -1.8567 | |
| 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 | 0.0000 | |
| 243 | Y | C | 0.0000 | |
| 244 | G | C | -0.3173 | |
| 245 | V | C | -0.1527 | |
| 246 | I | C | -0.6004 | |
| 247 | D | C | -1.4804 | |
| 248 | T | C | 0.0000 | |
| 249 | P | C | -0.3347 | |
| 250 | C | C | 0.0000 | |
| 251 | W | C | 0.1749 | |
| 252 | K | C | 0.0000 | |
| 253 | L | C | 0.0000 | |
| 254 | H | C | -0.7197 | |
| 255 | T | C | 0.0000 | |
| 256 | S | C | 0.0000 | |
| 257 | P | C | 0.0015 | |
| 258 | L | C | 0.0000 | |
| 259 | C | C | 0.0000 | |
| 260 | T | C | -0.5434 | |
| 261 | T | C | -0.7878 | |
| 262 | N | C | 0.0000 | |
| 263 | T | C | -1.3835 | |
| 264 | K | C | -2.2596 | |
| 265 | E | C | 0.0000 | |
| 266 | G | C | -1.1545 | |
| 267 | S | C | -0.7202 | |
| 268 | N | C | -0.7632 | |
| 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 | -0.4417 | |
| 275 | D | C | 0.0000 | |
| 276 | R | C | -2.4861 | |
| 277 | G | C | 0.0000 | |
| 278 | W | C | 0.0000 | |
| 279 | Y | C | -0.3209 | |
| 280 | C | C | 0.0000 | |
| 281 | D | C | -0.6421 | |
| 282 | N | C | 0.0000 | |
| 283 | A | C | -0.4344 | |
| 284 | G | C | -0.6003 | |
| 285 | S | C | -0.5641 | |
| 286 | V | C | 0.0000 | |
| 287 | S | C | 0.0000 | |
| 288 | F | C | 0.0000 | |
| 289 | F | C | 0.0000 | |
| 290 | P | C | -1.3492 | |
| 291 | Q | C | -2.2034 | |
| 292 | A | C | -2.1113 | |
| 293 | E | C | -2.5522 | |
| 294 | T | C | -1.2645 | |
| 295 | C | C | -0.9544 | |
| 296 | K | C | -0.8370 | |
| 297 | V | C | 0.0000 | |
| 298 | Q | C | 0.0000 | |
| 299 | S | C | -0.8623 | |
| 300 | N | C | -0.8523 | |
| 301 | R | C | -1.1745 | |
| 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 | 0.0004 | |
| 308 | N | C | -0.4794 | |
| 309 | S | C | -0.1612 | |
| 310 | L | C | -0.1168 | |
| 311 | T | C | 0.0000 | |
| 312 | L | C | 0.0000 | |
| 313 | P | C | -0.4362 | |
| 314 | P | C | -0.4188 | mutated: SP314C |
| 315 | E | C | 0.0000 | |
| 316 | V | C | 0.0000 | |
| 317 | N | C | -0.9745 | |
| 318 | L | C | -0.4947 | |
| 319 | C | C | 0.0000 | |
| 320 | N | C | -0.4041 | |
| 321 | V | C | -0.1178 | |
| 322 | D | C | -0.9368 | |
| 323 | I | C | 0.6237 | |
| 324 | F | C | 1.1238 | |
| 325 | N | C | -0.1849 | |
| 326 | P | C | -0.3362 | |
| 327 | K | C | -1.1287 | |
| 328 | Y | C | 0.0823 | |
| 329 | D | C | 0.0000 | |
| 330 | C | C | 0.0000 | |
| 331 | K | C | -0.1565 | |
| 332 | I | C | 0.5206 | |
| 333 | M | C | 0.7879 | |
| 334 | T | C | 0.0000 | |
| 335 | S | C | 0.0000 | |
| 336 | K | C | 0.0000 | |
| 337 | T | C | -0.4568 | |
| 338 | D | C | -0.2905 | |
| 339 | V | C | -0.2087 | |
| 340 | S | C | 0.0000 | |
| 341 | S | C | 0.1436 | |
| 342 | S | C | 0.0000 | |
| 343 | V | C | 0.4302 | |
| 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 | -1.6284 | |
| 356 | K | C | -2.4709 | |
| 357 | T | C | -1.8041 | |
| 358 | K | C | -2.1653 | |
| 359 | C | C | 0.0000 | |
| 360 | T | C | -0.0337 | |
| 361 | A | C | 0.0000 | |
| 362 | S | C | -0.3192 | |
| 363 | N | C | 0.0000 | |
| 364 | K | C | -2.1746 | |
| 365 | N | C | -2.1996 | |
| 366 | R | C | -1.9304 | |
| 367 | G | C | -1.1472 | |
| 368 | I | C | -0.0584 | |
| 369 | I | C | 1.1914 | |
| 370 | K | C | -0.0285 | |
| 371 | T | C | 0.0789 | |
| 372 | F | C | 0.4420 | |
| 373 | S | C | -0.7887 | |
| 374 | N | C | -0.7781 | |
| 375 | G | C | -0.6226 | |
| 376 | C | C | 0.0000 | |
| 377 | D | C | -0.1582 | |
| 378 | Y | C | 0.1606 | |
| 379 | V | C | 0.2538 | |
| 380 | S | C | 0.0000 | |
| 381 | N | C | -1.3961 | |
| 382 | K | C | -2.3707 | |
| 383 | G | C | 0.0000 | |
| 384 | V | C | 0.0000 | |
| 385 | D | C | -0.8793 | |
| 386 | T | C | -0.1598 | |
| 387 | V | C | 0.0000 | |
| 388 | S | C | -0.3555 | |
| 389 | V | C | 0.0000 | |
| 390 | G | C | -1.1583 | |
| 391 | N | C | -0.4343 | |
| 392 | T | C | 0.0000 | |
| 393 | L | C | 0.3850 | |
| 394 | Y | C | 0.0000 | |
| 395 | Y | C | 0.3919 | |
| 396 | V | C | 0.0000 | |
| 397 | N | C | 0.0000 | |
| 398 | K | C | -1.3090 | |
| 399 | Q | C | -2.1981 | |
| 400 | E | C | -2.1026 | |
| 401 | G | C | -2.1553 | |
| 402 | K | C | -2.1385 | |
| 403 | S | C | -0.2672 | |
| 404 | L | C | 1.2885 | |
| 405 | Y | C | 1.3751 | |
| 406 | V | C | 0.4587 | |
| 407 | K | C | -1.4997 | |
| 408 | G | C | -1.6141 | |
| 409 | E | C | -2.0860 | |
| 410 | P | C | -0.9068 | |
| 411 | I | C | 0.1875 | |
| 412 | I | C | -0.4394 | |
| 413 | N | C | -1.2524 | |
| 414 | F | C | -0.1097 | |
| 415 | Y | C | 0.0000 | |
| 416 | D | C | -1.4149 | |
| 417 | P | C | 0.0901 | |
| 418 | L | C | 1.2902 | |
| 419 | V | C | 0.8511 | |
| 420 | F | C | -0.0207 | |
| 421 | P | C | -0.4471 | |
| 422 | S | C | -0.1295 | |
| 423 | D | C | 0.3945 | |
| 424 | E | C | 0.0000 | |
| 425 | F | C | 2.1159 | |
| 426 | D | C | 0.7542 | |
| 427 | A | C | 0.0000 | |
| 428 | S | C | 0.0000 | |
| 429 | I | C | 0.0000 | |
| 430 | S | C | -0.7406 | |
| 431 | Q | C | 0.0000 | |
| 432 | V | C | 0.0000 | |
| 433 | N | C | -1.0519 | |
| 434 | E | C | 0.0000 | |
| 435 | K | C | -1.0872 | |
| 436 | I | C | 0.0000 | |
| 437 | N | C | -1.5507 | |
| 438 | Q | C | -1.3915 | |
| 439 | S | C | -0.6546 | |
| 440 | L | C | -0.2105 | |
| 441 | A | C | -0.9472 | |
| 442 | V | C | -0.3629 | mutated: FV442C |
| 443 | I | C | -0.6773 | |
| 444 | R | C | -1.9559 | |
| 445 | I | C | -0.7349 | mutated: KI445C |
| 446 | L | C | -0.7964 | mutated: SL446C |
| 447 | D | C | -2.7011 | |
| 448 | E | C | -2.1336 | |
| 449 | L | C | 0.2900 | |
| 450 | L | C | -0.6783 | |
| 451 | H | C | -1.2759 |
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, -0.4953 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_4 | -0.4953 | View | CSV | PDB |
| model_0 | -0.5032 | View | CSV | PDB |
| model_5 | -0.5078 | View | CSV | PDB |
| model_7 | -0.5163 | View | CSV | PDB |
| model_2 | -0.5221 | View | CSV | PDB |
| model_6 | -0.5239 | View | CSV | PDB |
| model_1 | -0.525 | View | CSV | PDB |
| model_10 | -0.5255 | View | CSV | PDB |
| CABS_average | -0.5259 | View | CSV | PDB |
| model_9 | -0.5303 | View | CSV | PDB |
| model_3 | -0.5449 | View | CSV | PDB |
| model_8 | -0.5551 | View | CSV | PDB |
| model_11 | -0.5621 | View | CSV | PDB |
| input | -0.6256 | 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