Project name: RSV_sd_486S487L [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, DS423A, EL424A, DS423C, EL424C, DS423B, EL424B]
Status: done
Started: 2025-12-13 11:55:56
| 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,DS423B,EL424B,SP152A,SP152C,VC94C,SP314C,NC120B,QP216B,DS423C,SP314B,SF446C,FW442C,DS423A,NP42C,NP42A,NC120A,NP42B,QP216C,EL424A,SF446B,NC120C,EL424C |
| Energy difference between WT (input) and mutated protein (by FoldX) | -27.007 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 (00:29:25)
[INFO] CABS: Running CABS flex simulation (00:55:17)
[INFO] Analysis: Starting Aggrescan4D on model_8.pdb (08:38:49)
[INFO] Analysis: Starting Aggrescan4D on model_6.pdb (08:39:17)
[INFO] Analysis: Starting Aggrescan4D on model_11.pdb (08:39:45)
[INFO] Analysis: Starting Aggrescan4D on model_7.pdb (08:40:12)
[INFO] Analysis: Starting Aggrescan4D on model_3.pdb (08:40:40)
[INFO] Analysis: Starting Aggrescan4D on model_5.pdb (08:41:08)
[INFO] Analysis: Starting Aggrescan4D on model_1.pdb (08:41:37)
[INFO] Analysis: Starting Aggrescan4D on model_0.pdb (08:42:02)
[INFO] Analysis: Starting Aggrescan4D on model_2.pdb (08:42:31)
[INFO] Analysis: Starting Aggrescan4D on model_4.pdb (08:42:59)
[INFO] Analysis: Starting Aggrescan4D on model_10.pdb (08:43:28)
[INFO] Analysis: Starting Aggrescan4D on model_9.pdb (08:43:57)
[INFO] Analysis: Starting Aggrescan4D on input.pdb (08:44:26)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (08:45:23)
[INFO] Main: Simulation completed successfully. (08:45:50)
|
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
- -3.4436
- Maximal score value
- 2.6859
- Average score
- -0.4779
- Total score value
- -646.6079
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 | -1.3286 | |
| 2 | N | A | 0.0000 | |
| 3 | I | A | 0.5282 | |
| 4 | T | A | -0.3031 | |
| 5 | E | A | 0.0000 | |
| 6 | E | A | 0.4167 | |
| 7 | F | A | 0.0000 | |
| 8 | Y | A | 0.0000 | |
| 9 | Q | A | -0.7986 | |
| 10 | S | A | -0.8598 | |
| 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 | -0.8359 | |
| 18 | G | A | -0.1833 | |
| 19 | Y | A | 0.0000 | |
| 20 | L | A | -0.1796 | |
| 21 | S | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | R | A | 0.0328 | |
| 25 | T | A | 0.1725 | |
| 26 | G | A | 0.4255 | |
| 27 | W | A | 0.6106 | |
| 28 | Y | A | 0.4549 | |
| 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 | -1.1176 | |
| 36 | L | A | 0.0000 | |
| 37 | S | A | 0.0000 | |
| 38 | N | A | -2.3799 | |
| 39 | I | A | 0.0000 | |
| 40 | K | A | -3.4436 | |
| 41 | E | A | -3.3943 | |
| 42 | P | A | 0.0000 | mutated: NP42A |
| 43 | K | A | -2.6328 | |
| 44 | C | A | 0.0000 | |
| 45 | N | A | -2.7094 | |
| 46 | G | A | -2.3071 | |
| 47 | T | A | -1.4215 | |
| 48 | D | A | -0.8946 | |
| 49 | A | A | -1.2893 | |
| 50 | K | A | -1.4361 | |
| 51 | V | A | 0.0000 | |
| 52 | K | A | -2.4877 | |
| 53 | L | A | 0.0000 | |
| 54 | I | A | 0.0000 | |
| 55 | K | A | -2.9180 | |
| 56 | Q | A | -2.3720 | |
| 57 | E | A | 0.0000 | |
| 58 | L | A | 0.0000 | |
| 59 | D | A | -2.9668 | |
| 60 | K | A | -1.5042 | |
| 61 | Y | A | 0.0000 | |
| 62 | K | A | -2.1771 | |
| 63 | N | A | -1.2569 | |
| 64 | A | A | 0.0000 | |
| 65 | V | A | 0.0000 | |
| 66 | T | A | -0.5164 | |
| 67 | E | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | Q | A | -0.7010 | |
| 70 | L | A | -0.1900 | |
| 71 | L | A | 0.0000 | |
| 72 | M | A | -0.3902 | |
| 73 | Q | A | -1.1594 | |
| 74 | S | A | -0.8158 | |
| 75 | T | A | -0.4639 | |
| 76 | P | A | 0.0000 | |
| 77 | A | A | 0.1062 | |
| 78 | A | A | -0.2124 | |
| 79 | G | A | -0.3627 | |
| 80 | G | A | 0.0000 | |
| 81 | G | A | 0.0000 | |
| 82 | G | A | -0.3784 | |
| 83 | S | A | -0.0111 | |
| 84 | A | A | 0.2608 | |
| 85 | I | A | 0.4825 | |
| 86 | A | A | 0.0000 | |
| 87 | S | A | -0.0319 | |
| 88 | G | A | 0.0000 | |
| 89 | I | A | -0.1531 | |
| 90 | A | A | -0.5408 | |
| 91 | V | A | 0.0000 | |
| 92 | S | A | 0.0000 | |
| 93 | K | A | -1.8237 | |
| 94 | C | A | 0.0000 | mutated: VC94A |
| 95 | L | A | 0.0000 | |
| 96 | H | A | -1.7307 | |
| 97 | L | A | -0.9132 | |
| 98 | E | A | -2.3523 | |
| 99 | G | A | -1.8996 | |
| 100 | E | A | 0.0000 | |
| 101 | V | A | 0.0000 | |
| 102 | N | A | -2.9270 | |
| 103 | K | A | -2.0912 | |
| 104 | I | A | 0.0000 | |
| 105 | K | A | -2.4360 | |
| 106 | S | A | -1.1809 | |
| 107 | A | A | -0.4162 | |
| 108 | L | A | -0.3839 | |
| 109 | L | A | 0.8165 | |
| 110 | S | A | 0.2174 | |
| 111 | T | A | -0.1040 | |
| 112 | N | A | -0.2123 | |
| 113 | K | A | -0.7500 | |
| 114 | A | A | 0.4365 | |
| 115 | V | A | 1.4148 | |
| 116 | V | A | 0.0000 | |
| 117 | S | A | 0.0321 | |
| 118 | L | A | 0.0000 | |
| 119 | S | A | -0.1026 | |
| 120 | C | A | -0.1588 | mutated: NC120A |
| 121 | G | A | -0.8614 | |
| 122 | V | A | 0.0000 | |
| 123 | S | A | 0.0913 | |
| 124 | V | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | T | A | 0.0000 | |
| 127 | S | A | 0.0000 | |
| 128 | K | A | -0.4022 | |
| 129 | V | A | -0.3235 | |
| 130 | L | A | 0.0000 | |
| 131 | D | A | -0.4003 | |
| 132 | L | A | 0.0000 | |
| 133 | K | A | -1.9874 | |
| 134 | N | A | -1.6802 | |
| 135 | Y | A | -0.7879 | |
| 136 | I | A | 0.0000 | |
| 137 | D | A | -1.9672 | |
| 138 | K | A | -2.2929 | |
| 139 | Q | A | -1.5293 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | -1.2389 | |
| 142 | P | A | -1.3152 | |
| 143 | I | A | -0.8523 | |
| 144 | V | A | 0.0000 | |
| 145 | N | A | -2.4328 | |
| 146 | K | A | -2.4646 | |
| 147 | Q | A | -1.9367 | |
| 148 | S | A | -0.6384 | |
| 149 | C | A | 0.0933 | |
| 150 | S | A | -0.5076 | |
| 151 | I | A | 0.0000 | |
| 152 | P | A | -0.2799 | mutated: SP152A |
| 153 | N | A | -0.8140 | |
| 154 | I | A | 0.0000 | |
| 155 | E | A | 0.0000 | |
| 156 | T | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | E | A | -0.4652 | |
| 160 | F | A | 0.0000 | |
| 161 | Q | A | 0.0000 | |
| 162 | Q | A | 0.0000 | |
| 163 | K | A | 0.0000 | |
| 164 | N | A | 0.0000 | |
| 165 | N | A | -1.1796 | |
| 166 | R | A | -0.8959 | |
| 167 | L | A | 0.0000 | |
| 168 | L | A | 0.0000 | |
| 169 | E | A | -0.7990 | |
| 170 | I | A | 0.0000 | |
| 171 | T | A | 0.0000 | |
| 172 | R | A | -0.6301 | |
| 173 | E | A | -0.4780 | |
| 174 | F | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | V | A | -0.2238 | |
| 177 | N | A | -0.4602 | |
| 178 | A | A | -0.1724 | |
| 179 | G | A | 0.0000 | |
| 180 | V | A | 0.2466 | |
| 181 | T | A | 0.0000 | |
| 182 | T | A | -0.0750 | |
| 183 | P | A | -0.1100 | |
| 184 | V | A | 0.0000 | |
| 185 | S | A | 0.0000 | |
| 186 | T | A | 0.0000 | |
| 187 | Y | A | -0.0650 | |
| 188 | M | A | -0.0592 | |
| 189 | L | A | 0.0000 | |
| 190 | T | A | -0.0876 | |
| 191 | N | A | 0.0000 | |
| 192 | S | A | -0.2649 | |
| 193 | E | A | -0.5569 | |
| 194 | L | A | 0.0000 | |
| 195 | L | A | -0.4234 | |
| 196 | S | A | -0.9528 | |
| 197 | L | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | N | A | -2.2047 | |
| 200 | D | A | -1.8388 | |
| 201 | M | A | -1.0639 | |
| 202 | P | A | -0.7840 | |
| 203 | I | A | -0.9336 | |
| 204 | T | A | -1.2351 | |
| 205 | N | A | -2.5646 | |
| 206 | D | A | -2.7854 | |
| 207 | Q | A | 0.0000 | |
| 208 | K | A | -2.1449 | |
| 209 | K | A | -2.3626 | |
| 210 | L | A | -1.2671 | |
| 211 | M | A | 0.0000 | |
| 212 | S | A | -1.0104 | |
| 213 | N | A | -0.9158 | |
| 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 | -0.7497 | |
| 221 | Q | A | -0.4288 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | 0.1591 | |
| 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 | -1.0081 | |
| 230 | K | A | -2.3598 | |
| 231 | E | A | -2.1355 | |
| 232 | E | A | -2.0450 | |
| 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 | 0.4110 | |
| 243 | Y | A | 0.0000 | |
| 244 | G | A | 0.0273 | |
| 245 | V | A | -0.0622 | |
| 246 | I | A | 0.0000 | |
| 247 | D | A | -1.7004 | |
| 248 | T | A | 0.0000 | |
| 249 | P | A | -0.7223 | |
| 250 | C | A | 0.0000 | |
| 251 | W | A | -0.3482 | |
| 252 | K | A | 0.0000 | |
| 253 | L | A | 0.0000 | |
| 254 | H | A | -0.2322 | |
| 255 | T | A | -0.1388 | |
| 256 | S | A | 0.0000 | |
| 257 | P | A | 0.0202 | |
| 258 | L | A | 0.0000 | |
| 259 | C | A | 0.0000 | |
| 260 | T | A | 0.0000 | |
| 261 | T | A | -0.6189 | |
| 262 | N | A | -1.4846 | |
| 263 | T | A | -1.5907 | |
| 264 | K | A | -2.8923 | |
| 265 | E | A | -3.2497 | |
| 266 | G | A | -2.2101 | |
| 267 | S | A | -1.5438 | |
| 268 | N | A | -0.8691 | |
| 269 | I | A | 0.0000 | |
| 270 | C | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | T | A | 0.0846 | |
| 273 | R | A | 0.0000 | |
| 274 | T | A | -0.4373 | |
| 275 | D | A | 0.0000 | |
| 276 | R | A | -1.1117 | |
| 277 | G | A | 0.0000 | |
| 278 | W | A | 0.0000 | |
| 279 | Y | A | 0.0000 | |
| 280 | C | A | 0.0000 | |
| 281 | D | A | -0.5993 | |
| 282 | N | A | -0.8159 | |
| 283 | A | A | -0.4005 | |
| 284 | G | A | -0.6361 | |
| 285 | S | A | -0.6387 | |
| 286 | V | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | F | A | 0.0000 | |
| 289 | F | A | 0.0000 | |
| 290 | P | A | -1.2656 | |
| 291 | Q | A | -1.8901 | |
| 292 | A | A | -1.3876 | |
| 293 | E | A | -1.8456 | |
| 294 | T | A | -1.3378 | |
| 295 | C | A | -1.0106 | |
| 296 | K | A | -1.1970 | |
| 297 | V | A | 0.0000 | |
| 298 | Q | A | 0.0000 | |
| 299 | S | A | -0.8366 | |
| 300 | N | A | -0.5699 | |
| 301 | R | A | -0.6955 | |
| 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 | -0.2433 | |
| 308 | N | A | -1.1956 | |
| 309 | S | A | -0.5791 | |
| 310 | L | A | -0.0913 | |
| 311 | T | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | P | A | -0.5341 | |
| 314 | P | A | -0.4292 | mutated: SP314A |
| 315 | E | A | -0.5300 | |
| 316 | V | A | 0.0000 | |
| 317 | N | A | 0.0695 | |
| 318 | L | A | 0.8876 | |
| 319 | C | A | 0.0000 | |
| 320 | N | A | 1.0803 | |
| 321 | V | A | 1.9875 | |
| 322 | D | A | 1.9304 | |
| 323 | I | A | 2.6859 | |
| 324 | F | A | 1.7310 | |
| 325 | N | A | 0.0000 | |
| 326 | P | A | -0.3902 | |
| 327 | K | A | -1.6060 | |
| 328 | Y | A | -0.3764 | |
| 329 | D | A | -0.4204 | |
| 330 | C | A | 0.0000 | |
| 331 | K | A | -0.1167 | |
| 332 | I | A | 0.0000 | |
| 333 | M | A | 0.7465 | |
| 334 | T | A | 0.0000 | |
| 335 | S | A | 0.1237 | |
| 336 | K | A | 0.0000 | |
| 337 | T | A | -0.7837 | |
| 338 | D | A | -0.5634 | |
| 339 | V | A | 0.3440 | |
| 340 | S | A | 0.0000 | |
| 341 | S | A | -0.0586 | |
| 342 | S | A | 0.0000 | |
| 343 | V | A | 0.3037 | |
| 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 | -0.8643 | |
| 355 | G | A | -1.2662 | |
| 356 | K | A | -1.2793 | |
| 357 | T | A | 0.0000 | |
| 358 | K | A | -2.2095 | |
| 359 | C | A | 0.0000 | |
| 360 | T | A | -0.5405 | |
| 361 | A | A | 0.0000 | |
| 362 | S | A | -0.2383 | |
| 363 | N | A | -1.0228 | |
| 364 | K | A | -1.5897 | |
| 365 | N | A | -2.3691 | |
| 366 | R | A | -2.2205 | |
| 367 | G | A | -0.8602 | |
| 368 | I | A | 0.8095 | |
| 369 | I | A | 1.3463 | |
| 370 | K | A | -0.5791 | |
| 371 | T | A | -0.9327 | |
| 372 | F | A | 0.0000 | |
| 373 | S | A | -1.5670 | |
| 374 | N | A | -1.7360 | |
| 375 | G | A | -0.8851 | |
| 376 | C | A | 0.0000 | |
| 377 | D | A | -0.6468 | |
| 378 | Y | A | 0.0000 | |
| 379 | V | A | 0.3878 | |
| 380 | S | A | 0.0000 | |
| 381 | N | A | 0.0000 | |
| 382 | K | A | -1.8162 | |
| 383 | G | A | -0.6917 | |
| 384 | V | A | 0.0000 | |
| 385 | D | A | 0.0000 | |
| 386 | T | A | -0.1029 | |
| 387 | V | A | 0.0000 | |
| 388 | S | A | -0.3072 | |
| 389 | V | A | 0.0000 | |
| 390 | G | A | -0.9057 | |
| 391 | N | A | -0.6507 | |
| 392 | T | A | 0.0000 | |
| 393 | L | A | 0.4941 | |
| 394 | Y | A | 0.6850 | |
| 395 | Y | A | 0.0000 | |
| 396 | V | A | 0.0000 | |
| 397 | N | A | 0.0000 | |
| 398 | K | A | -1.7387 | |
| 399 | Q | A | -1.6868 | |
| 400 | E | A | -2.2075 | |
| 401 | G | A | -1.1896 | |
| 402 | K | A | -1.2234 | |
| 403 | S | A | 0.1398 | |
| 404 | L | A | 1.4846 | |
| 405 | Y | A | 1.3793 | |
| 406 | V | A | 0.4871 | |
| 407 | K | A | -1.3282 | |
| 408 | G | A | -1.4345 | |
| 409 | E | A | -0.7827 | |
| 410 | P | A | -0.3869 | |
| 411 | I | A | 0.4350 | |
| 412 | I | A | 0.6360 | |
| 413 | N | A | 0.0036 | |
| 414 | F | A | 0.4008 | |
| 415 | Y | A | 0.0000 | |
| 416 | D | A | -0.2584 | |
| 417 | P | A | -0.0446 | |
| 418 | L | A | 0.7642 | |
| 419 | V | A | 1.3554 | |
| 420 | F | A | 0.4660 | |
| 421 | P | A | 0.0000 | |
| 422 | S | A | 0.0000 | |
| 423 | S | A | 0.3967 | mutated: DS423A |
| 424 | L | A | 1.3599 | mutated: EL424A |
| 425 | F | A | 1.7130 | |
| 426 | D | A | 0.0000 | |
| 427 | A | A | 0.0000 | |
| 428 | S | A | 0.0000 | |
| 429 | I | A | -0.0409 | |
| 430 | S | A | -0.9654 | |
| 431 | Q | A | 0.0000 | |
| 432 | V | A | 0.0000 | |
| 433 | N | A | -1.2904 | |
| 434 | E | A | -1.9173 | |
| 435 | K | A | -1.2163 | |
| 436 | I | A | 0.0000 | |
| 437 | N | A | -1.8014 | |
| 438 | Q | A | -1.4914 | |
| 439 | S | A | -0.8221 | |
| 440 | L | A | -0.6761 | |
| 441 | A | A | -1.0929 | |
| 442 | W | A | 0.0000 | mutated: FW442A |
| 443 | I | A | -0.8090 | |
| 444 | R | A | -2.5699 | |
| 445 | K | A | -2.1490 | |
| 446 | F | A | 0.0000 | mutated: SF446A |
| 447 | D | A | -2.6728 | |
| 448 | E | A | -2.9328 | |
| 449 | L | A | -0.9633 | |
| 450 | L | A | -0.4811 | |
| 451 | H | A | -1.2194 | |
| 1 | Q | B | -2.3806 | |
| 2 | N | B | -2.8266 | |
| 3 | I | B | 0.0000 | |
| 4 | T | B | -1.7541 | |
| 5 | E | B | 0.0000 | |
| 6 | E | B | -0.0036 | |
| 7 | F | B | 0.0000 | |
| 8 | Y | B | -0.0115 | |
| 9 | Q | B | -0.8501 | |
| 10 | S | B | 0.0000 | |
| 11 | T | B | 0.0000 | |
| 12 | C | B | 0.0000 | |
| 13 | S | B | 0.0000 | |
| 14 | A | B | 0.0000 | |
| 15 | V | B | 0.0000 | |
| 16 | S | B | 0.0000 | |
| 17 | K | B | -1.3713 | |
| 18 | G | B | -1.4775 | |
| 19 | Y | B | 0.0000 | |
| 20 | L | B | -0.0589 | |
| 21 | S | B | 0.0000 | |
| 22 | A | B | 0.0000 | |
| 23 | L | B | 0.0000 | |
| 24 | R | B | 0.0000 | |
| 25 | T | B | -0.0913 | |
| 26 | G | B | 0.1417 | |
| 27 | W | B | 0.3509 | |
| 28 | Y | B | 0.3392 | |
| 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 | -1.1732 | |
| 36 | L | B | 0.0000 | |
| 37 | S | B | -2.2362 | |
| 38 | N | B | -2.4427 | |
| 39 | I | B | 0.0000 | |
| 40 | K | B | -3.2141 | |
| 41 | E | B | -3.2181 | |
| 42 | P | B | -2.9347 | mutated: NP42B |
| 43 | K | B | -3.3451 | |
| 44 | C | B | 0.0000 | |
| 45 | N | B | -2.6455 | |
| 46 | G | B | -2.0376 | |
| 47 | T | B | -1.1384 | |
| 48 | D | B | -1.7850 | |
| 49 | A | B | -1.3347 | |
| 50 | K | B | -1.7517 | |
| 51 | V | B | 0.0000 | |
| 52 | K | B | -2.1961 | |
| 53 | L | B | 0.0000 | |
| 54 | I | B | 0.0000 | |
| 55 | K | B | -2.1991 | |
| 56 | Q | B | -1.5828 | |
| 57 | E | B | 0.0000 | |
| 58 | L | B | 0.0000 | |
| 59 | D | B | -1.7966 | |
| 60 | K | B | 0.0000 | |
| 61 | Y | B | 0.0000 | |
| 62 | K | B | -2.2017 | |
| 63 | N | B | -1.3871 | |
| 64 | A | B | 0.0000 | |
| 65 | V | B | 0.0000 | |
| 66 | T | B | -1.2217 | |
| 67 | E | B | -0.8038 | |
| 68 | L | B | 0.0000 | |
| 69 | Q | B | -1.6249 | |
| 70 | L | B | -0.6567 | |
| 71 | L | B | 0.0000 | |
| 72 | M | B | -0.6162 | |
| 73 | Q | B | -1.0694 | |
| 74 | S | B | 0.0000 | |
| 75 | T | B | -0.3701 | |
| 76 | P | B | 0.0000 | |
| 77 | A | B | 0.0394 | |
| 78 | A | B | -0.1190 | |
| 79 | G | B | 0.0000 | |
| 80 | G | B | 0.0000 | |
| 81 | G | B | 0.0000 | |
| 82 | G | B | -0.2646 | |
| 83 | S | B | 0.0000 | |
| 84 | A | B | 0.2456 | |
| 85 | I | B | 0.3301 | |
| 86 | A | B | 0.0000 | |
| 87 | S | B | 0.0487 | |
| 88 | G | B | 0.0000 | |
| 89 | I | B | -0.2414 | |
| 90 | A | B | 0.0000 | |
| 91 | V | B | 0.0000 | |
| 92 | S | B | 0.0000 | |
| 93 | K | B | -1.3092 | |
| 94 | C | B | -0.5117 | mutated: VC94B |
| 95 | L | B | 0.0000 | |
| 96 | H | B | -0.9146 | |
| 97 | L | B | -0.3633 | |
| 98 | E | B | -1.9431 | |
| 99 | G | B | -1.8298 | |
| 100 | E | B | -1.4831 | |
| 101 | V | B | 0.0000 | |
| 102 | N | B | -2.3534 | |
| 103 | K | B | -1.9136 | |
| 104 | I | B | 0.0000 | |
| 105 | K | B | -1.0482 | |
| 106 | S | B | -0.7591 | |
| 107 | A | B | 0.0000 | |
| 108 | L | B | 0.2949 | |
| 109 | L | B | 1.2851 | |
| 110 | S | B | 0.4437 | |
| 111 | T | B | 0.1451 | |
| 112 | N | B | 0.0000 | |
| 113 | K | B | -0.2834 | |
| 114 | A | B | 0.8058 | |
| 115 | V | B | 1.6142 | |
| 116 | V | B | 0.6679 | |
| 117 | S | B | 0.0038 | |
| 118 | L | B | 0.0000 | |
| 119 | S | B | -0.3536 | |
| 120 | C | B | -0.2119 | mutated: NC120B |
| 121 | G | B | -1.1776 | |
| 122 | V | B | 0.0000 | |
| 123 | S | B | 0.1694 | |
| 124 | V | B | 0.0000 | |
| 125 | L | B | 0.0000 | |
| 126 | T | B | 0.0000 | |
| 127 | S | B | 0.0000 | |
| 128 | K | B | 0.0000 | |
| 129 | V | B | 0.1392 | |
| 130 | L | B | 0.0000 | |
| 131 | D | B | -0.5697 | |
| 132 | L | B | 0.0000 | |
| 133 | K | B | -1.9518 | |
| 134 | N | B | -2.2856 | |
| 135 | Y | B | -1.3825 | |
| 136 | I | B | 0.0000 | |
| 137 | D | B | -2.9369 | |
| 138 | K | B | -2.7718 | |
| 139 | Q | B | -1.4458 | |
| 140 | L | B | 0.0000 | |
| 141 | L | B | -1.9729 | |
| 142 | P | B | -1.9192 | |
| 143 | I | B | -1.6982 | |
| 144 | V | B | 0.0000 | |
| 145 | N | B | -2.9767 | |
| 146 | K | B | -3.1151 | |
| 147 | Q | B | -3.1068 | |
| 148 | S | B | -1.8143 | |
| 149 | C | B | 0.0000 | |
| 150 | S | B | -1.3856 | |
| 151 | I | B | 0.0000 | |
| 152 | P | B | -0.9890 | mutated: SP152B |
| 153 | N | B | -1.8330 | |
| 154 | I | B | 0.0000 | |
| 155 | E | B | -1.2650 | |
| 156 | T | B | 0.0000 | |
| 157 | V | B | 0.0000 | |
| 158 | I | B | 0.0000 | |
| 159 | E | B | -0.7697 | |
| 160 | F | B | 0.0000 | |
| 161 | Q | B | -0.5950 | |
| 162 | Q | B | -0.5889 | |
| 163 | K | B | 0.0000 | |
| 164 | N | B | 0.0000 | |
| 165 | N | B | -1.0069 | |
| 166 | R | B | -0.8928 | |
| 167 | L | B | 0.0000 | |
| 168 | L | B | -0.6012 | |
| 169 | E | B | -0.6366 | |
| 170 | I | B | 0.0000 | |
| 171 | T | B | 0.0000 | |
| 172 | R | B | -0.3525 | |
| 173 | E | B | 0.0000 | |
| 174 | F | B | 0.0000 | |
| 175 | S | B | 0.0000 | |
| 176 | V | B | 0.3482 | |
| 177 | N | B | -0.1992 | |
| 178 | A | B | 0.0000 | |
| 179 | G | B | 0.0000 | |
| 180 | V | B | 0.3253 | |
| 181 | T | B | 0.0000 | |
| 182 | T | B | -0.0702 | |
| 183 | P | B | -0.2074 | |
| 184 | V | B | 0.0000 | |
| 185 | S | B | -0.2149 | |
| 186 | T | B | 0.0000 | |
| 187 | Y | B | -0.1063 | |
| 188 | M | B | -0.0605 | |
| 189 | L | B | 0.0000 | |
| 190 | T | B | -0.0252 | |
| 191 | N | B | -0.0663 | |
| 192 | S | B | -0.1391 | |
| 193 | E | B | -0.1836 | |
| 194 | L | B | 0.0000 | |
| 195 | L | B | 0.0228 | |
| 196 | S | B | -0.3995 | |
| 197 | L | B | 0.0000 | |
| 198 | I | B | 0.0000 | |
| 199 | N | B | -1.7461 | |
| 200 | D | B | -0.6933 | |
| 201 | M | B | -0.3217 | |
| 202 | P | B | -0.5311 | |
| 203 | I | B | -1.0469 | |
| 204 | T | B | -1.7365 | |
| 205 | N | B | -2.8889 | |
| 206 | D | B | -2.9876 | |
| 207 | Q | B | -1.9975 | |
| 208 | K | B | -2.3818 | |
| 209 | K | B | -2.8758 | |
| 210 | L | B | -1.3912 | |
| 211 | M | B | 0.0000 | |
| 212 | S | B | -0.9299 | |
| 213 | N | B | -0.8402 | |
| 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 | -0.0580 | |
| 219 | R | B | 0.0000 | |
| 220 | Q | B | -0.7876 | |
| 221 | Q | B | -0.5240 | |
| 222 | S | B | 0.0000 | |
| 223 | Y | B | 0.2752 | |
| 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 | -2.7524 | |
| 231 | E | B | -3.3816 | |
| 232 | E | B | -2.5873 | |
| 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 | 0.3114 | |
| 243 | Y | B | 0.0000 | |
| 244 | G | B | 0.0062 | |
| 245 | V | B | 0.2974 | |
| 246 | I | B | 0.5543 | |
| 247 | D | B | -0.1635 | |
| 248 | T | B | 0.0244 | |
| 249 | P | B | -0.4325 | |
| 250 | C | B | 0.0000 | |
| 251 | W | B | 0.0000 | |
| 252 | K | B | 0.0000 | |
| 253 | L | B | 0.0000 | |
| 254 | H | B | 0.0000 | |
| 255 | T | B | -0.5326 | |
| 256 | S | B | 0.0000 | |
| 257 | P | B | -0.2045 | |
| 258 | L | B | 0.0000 | |
| 259 | C | B | 0.0000 | |
| 260 | T | B | 0.0000 | |
| 261 | T | B | 0.0000 | |
| 262 | N | B | -1.8593 | |
| 263 | T | B | -1.0945 | |
| 264 | K | B | -1.2103 | |
| 265 | E | B | 0.0000 | |
| 266 | G | B | -1.1539 | |
| 267 | S | B | 0.0000 | |
| 268 | N | B | 0.0000 | |
| 269 | I | B | 0.0000 | |
| 270 | C | B | 0.0000 | |
| 271 | L | B | 0.0000 | |
| 272 | T | B | -0.2084 | |
| 273 | R | B | 0.0000 | |
| 274 | T | B | 0.0000 | |
| 275 | D | B | -2.3203 | |
| 276 | R | B | -1.9554 | |
| 277 | G | B | 0.0000 | |
| 278 | W | B | 0.0000 | |
| 279 | Y | B | 0.0000 | |
| 280 | C | B | 0.0000 | |
| 281 | D | B | -0.4048 | |
| 282 | N | B | -0.4388 | |
| 283 | A | B | -0.3293 | |
| 284 | G | B | -0.5630 | |
| 285 | S | B | -0.7818 | |
| 286 | V | B | 0.0000 | |
| 287 | S | B | -0.3009 | |
| 288 | F | B | 0.0000 | |
| 289 | F | B | 0.0000 | |
| 290 | P | B | -1.6169 | |
| 291 | Q | B | -2.2800 | |
| 292 | A | B | 0.0000 | |
| 293 | E | B | -1.7591 | |
| 294 | T | B | -1.2024 | |
| 295 | C | B | -0.6815 | |
| 296 | K | B | -0.7012 | |
| 297 | V | B | 0.0000 | |
| 298 | Q | B | 0.0000 | |
| 299 | S | B | -0.7500 | |
| 300 | N | B | -1.0268 | |
| 301 | R | B | -0.9045 | |
| 302 | V | B | 0.0000 | |
| 303 | F | B | -0.0009 | |
| 304 | C | B | 0.0000 | |
| 305 | D | B | -0.3034 | |
| 306 | T | B | 0.0000 | |
| 307 | M | B | -0.4191 | |
| 308 | N | B | -1.2855 | |
| 309 | S | B | -0.4963 | |
| 310 | L | B | -0.1028 | |
| 311 | T | B | 0.0000 | |
| 312 | L | B | 0.0000 | |
| 313 | P | B | -1.1077 | |
| 314 | P | B | -1.0684 | mutated: SP314B |
| 315 | E | B | -2.1135 | |
| 316 | V | B | 0.0000 | |
| 317 | N | B | -0.5710 | |
| 318 | L | B | 0.6961 | |
| 319 | C | B | 0.0636 | |
| 320 | N | B | -0.1632 | |
| 321 | V | B | 1.3477 | |
| 322 | D | B | 0.6184 | |
| 323 | I | B | 0.7922 | |
| 324 | F | B | 0.0000 | |
| 325 | N | B | -0.7949 | |
| 326 | P | B | -1.1933 | |
| 327 | K | B | -2.3375 | |
| 328 | Y | B | 0.0000 | |
| 329 | D | B | -1.0109 | |
| 330 | C | B | -0.8974 | |
| 331 | K | B | -0.5651 | |
| 332 | I | B | 0.0000 | |
| 333 | M | B | 0.1893 | |
| 334 | T | B | 0.0000 | |
| 335 | S | B | 0.2598 | |
| 336 | K | B | 0.0000 | |
| 337 | T | B | -0.2231 | |
| 338 | D | B | -0.4841 | |
| 339 | V | B | 0.0618 | |
| 340 | S | B | 0.0000 | |
| 341 | S | B | 0.0018 | |
| 342 | S | B | 0.0551 | |
| 343 | V | B | 0.1736 | |
| 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 | -1.0093 | |
| 355 | G | B | -1.2543 | |
| 356 | K | B | -1.0716 | |
| 357 | T | B | -1.1094 | |
| 358 | K | B | -1.8807 | |
| 359 | C | B | 0.0000 | |
| 360 | T | B | 0.0000 | |
| 361 | A | B | -0.0761 | |
| 362 | S | B | 0.0000 | |
| 363 | N | B | -1.7759 | |
| 364 | K | B | -2.5367 | |
| 365 | N | B | -2.2387 | |
| 366 | R | B | -2.1559 | |
| 367 | G | B | -0.5455 | |
| 368 | I | B | 1.5738 | |
| 369 | I | B | 1.8581 | |
| 370 | K | B | -0.1056 | |
| 371 | T | B | -0.5129 | |
| 372 | F | B | 0.0000 | |
| 373 | S | B | -1.4557 | |
| 374 | N | B | -1.7589 | |
| 375 | G | B | -1.0405 | |
| 376 | C | B | 0.0000 | |
| 377 | D | B | -1.2255 | |
| 378 | Y | B | 0.0000 | |
| 379 | V | B | 0.0881 | |
| 380 | S | B | 0.0000 | |
| 381 | N | B | -1.5520 | |
| 382 | K | B | -2.5403 | |
| 383 | G | B | -2.2458 | |
| 384 | V | B | 0.0000 | |
| 385 | D | B | -1.9880 | |
| 386 | T | B | -0.7929 | |
| 387 | V | B | 0.0000 | |
| 388 | S | B | -0.0804 | |
| 389 | V | B | 0.0000 | |
| 390 | G | B | -0.7133 | |
| 391 | N | B | -0.5352 | |
| 392 | T | B | 0.0000 | |
| 393 | L | B | 0.6412 | |
| 394 | Y | B | 0.4178 | |
| 395 | Y | B | 0.0000 | |
| 396 | V | B | 0.0000 | |
| 397 | N | B | 0.0000 | |
| 398 | K | B | -1.2323 | |
| 399 | Q | B | 0.0000 | |
| 400 | E | B | -2.8131 | |
| 401 | G | B | -2.6899 | |
| 402 | K | B | -2.4910 | |
| 403 | S | B | 0.0000 | |
| 404 | L | B | 0.6477 | |
| 405 | Y | B | 1.3238 | |
| 406 | V | B | 0.4984 | |
| 407 | K | B | -1.5155 | |
| 408 | G | B | -1.7320 | |
| 409 | E | B | -2.1936 | |
| 410 | P | B | -1.0184 | |
| 411 | I | B | 0.7844 | |
| 412 | I | B | 0.0000 | |
| 413 | N | B | -0.1625 | |
| 414 | F | B | 1.9599 | |
| 415 | Y | B | 1.7951 | |
| 416 | D | B | 0.1036 | |
| 417 | P | B | 0.3401 | |
| 418 | L | B | 1.1207 | |
| 419 | V | B | 1.4233 | |
| 420 | F | B | 1.1433 | |
| 421 | P | B | 0.0000 | |
| 422 | S | B | 0.0000 | |
| 423 | S | B | 0.7137 | mutated: DS423B |
| 424 | L | B | 0.0000 | mutated: EL424B |
| 425 | F | B | 0.5731 | |
| 426 | D | B | -0.1846 | |
| 427 | A | B | 0.0000 | |
| 428 | S | B | 0.0000 | |
| 429 | I | B | -0.0349 | |
| 430 | S | B | -0.7714 | |
| 431 | Q | B | 0.0000 | |
| 432 | V | B | 0.0000 | |
| 433 | N | B | -1.1501 | |
| 434 | E | B | -1.7528 | |
| 435 | K | B | -1.1469 | |
| 436 | I | B | -0.2123 | |
| 437 | N | B | -0.8971 | |
| 438 | Q | B | -0.5966 | |
| 439 | S | B | 0.2485 | |
| 440 | L | B | 0.8710 | |
| 441 | A | B | -0.3160 | |
| 442 | W | B | -0.0149 | mutated: FW442B |
| 443 | I | B | -0.6276 | |
| 444 | R | B | -2.5819 | |
| 445 | K | B | -2.0286 | |
| 446 | F | B | -1.7349 | mutated: SF446B |
| 447 | D | B | -3.2009 | |
| 448 | E | B | -2.9893 | |
| 449 | L | B | 0.0000 | |
| 450 | L | B | -0.2724 | |
| 451 | H | B | -1.7361 | |
| 1 | Q | C | -1.6565 | |
| 2 | N | C | -1.9264 | |
| 3 | I | C | 0.0000 | |
| 4 | T | C | -0.5372 | |
| 5 | E | C | 0.0000 | |
| 6 | E | C | 0.1235 | |
| 7 | F | C | 0.0000 | |
| 8 | Y | C | -0.5214 | |
| 9 | Q | C | 0.0000 | |
| 10 | S | C | -0.9422 | |
| 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 | -0.5576 | |
| 18 | G | C | -0.8007 | |
| 19 | Y | C | 0.0000 | |
| 20 | L | C | -0.1725 | |
| 21 | S | C | 0.0000 | |
| 22 | A | C | 0.0000 | |
| 23 | L | C | 0.0000 | |
| 24 | R | C | 0.0834 | |
| 25 | T | C | 0.1199 | |
| 26 | G | C | 0.2033 | |
| 27 | W | C | 0.4223 | |
| 28 | Y | C | 0.2602 | |
| 29 | T | C | 0.0992 | |
| 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 | -1.3751 | |
| 36 | L | C | 0.0000 | |
| 37 | S | C | -1.8358 | |
| 38 | N | C | -1.8390 | |
| 39 | I | C | 0.0000 | |
| 40 | K | C | 0.0000 | |
| 41 | E | C | -2.3652 | |
| 42 | P | C | -1.8556 | mutated: NP42C |
| 43 | K | C | -2.6111 | |
| 44 | C | C | -1.9657 | |
| 45 | N | C | -2.1961 | |
| 46 | G | C | -2.5178 | |
| 47 | T | C | -2.2013 | |
| 48 | D | C | -2.1477 | |
| 49 | A | C | -1.4471 | |
| 50 | K | C | 0.0000 | |
| 51 | V | C | 0.0000 | |
| 52 | K | C | -2.2846 | |
| 53 | L | C | 0.0000 | |
| 54 | I | C | 0.0000 | |
| 55 | K | C | -2.2156 | |
| 56 | Q | C | -1.5695 | |
| 57 | E | C | 0.0000 | |
| 58 | L | C | 0.0000 | |
| 59 | D | C | -2.4178 | |
| 60 | K | C | -1.2381 | |
| 61 | Y | C | 0.0000 | |
| 62 | K | C | -1.1432 | |
| 63 | N | C | -0.8811 | |
| 64 | A | C | 0.0000 | |
| 65 | V | C | -0.7535 | |
| 66 | T | C | -0.4038 | |
| 67 | E | C | 0.0000 | |
| 68 | L | C | 0.0000 | |
| 69 | Q | C | -1.4282 | |
| 70 | L | C | -0.5845 | |
| 71 | L | C | 0.0000 | |
| 72 | M | C | -0.4895 | |
| 73 | Q | C | -0.7927 | |
| 74 | S | C | 0.0000 | |
| 75 | T | C | -0.0755 | |
| 76 | P | C | 0.0000 | |
| 77 | A | C | 0.1745 | |
| 78 | A | C | 0.0000 | |
| 79 | G | C | 0.0000 | |
| 80 | G | C | 0.0000 | |
| 81 | G | C | 0.0000 | |
| 82 | G | C | -0.1548 | |
| 83 | S | C | 0.0000 | |
| 84 | A | C | 0.8938 | |
| 85 | I | C | 1.3638 | |
| 86 | A | C | 0.0000 | |
| 87 | S | C | 0.3176 | |
| 88 | G | C | 0.0000 | |
| 89 | I | C | 0.0000 | |
| 90 | A | C | -0.2550 | |
| 91 | V | C | 0.0000 | |
| 92 | S | C | 0.0000 | |
| 93 | K | C | -0.5468 | |
| 94 | C | C | 0.0000 | mutated: VC94C |
| 95 | L | C | 0.0000 | |
| 96 | H | C | -1.0800 | |
| 97 | L | C | -0.0577 | |
| 98 | E | C | -1.8990 | |
| 99 | G | C | -1.6428 | |
| 100 | E | C | -1.5944 | |
| 101 | V | C | 0.0000 | |
| 102 | N | C | -2.5099 | |
| 103 | K | C | -2.3746 | |
| 104 | I | C | 0.0000 | |
| 105 | K | C | -2.3166 | |
| 106 | S | C | -1.3138 | |
| 107 | A | C | -0.4663 | |
| 108 | L | C | -0.0526 | |
| 109 | L | C | 0.9973 | |
| 110 | S | C | 0.1467 | |
| 111 | T | C | 0.0229 | |
| 112 | N | C | 0.0000 | |
| 113 | K | C | -1.1816 | |
| 114 | A | C | 0.2449 | |
| 115 | V | C | 1.2913 | |
| 116 | V | C | 0.0000 | |
| 117 | S | C | 0.0631 | |
| 118 | L | C | -0.0165 | |
| 119 | S | C | -0.3274 | |
| 120 | C | C | -0.6468 | mutated: NC120C |
| 121 | G | C | -0.9406 | |
| 122 | V | C | 0.0224 | |
| 123 | S | C | 0.3159 | |
| 124 | V | C | 0.0000 | |
| 125 | L | C | 0.0000 | |
| 126 | T | C | 0.0000 | |
| 127 | S | C | 0.0000 | |
| 128 | K | C | 0.0000 | |
| 129 | V | C | -0.0694 | |
| 130 | L | C | 0.0000 | |
| 131 | D | C | 0.0000 | |
| 132 | L | C | 0.0000 | |
| 133 | K | C | -2.0234 | |
| 134 | N | C | -1.9705 | |
| 135 | Y | C | -1.0373 | |
| 136 | I | C | 0.0000 | |
| 137 | D | C | -2.7393 | |
| 138 | K | C | -2.6594 | |
| 139 | Q | C | -1.5844 | |
| 140 | L | C | 0.0000 | |
| 141 | L | C | -1.5918 | |
| 142 | P | C | -1.5899 | |
| 143 | I | C | 0.0000 | |
| 144 | V | C | 0.0000 | |
| 145 | N | C | -2.6847 | |
| 146 | K | C | -2.8065 | |
| 147 | Q | C | -2.5343 | |
| 148 | S | C | -1.6913 | |
| 149 | C | C | -0.4485 | |
| 150 | S | C | -0.5628 | |
| 151 | I | C | 0.0000 | |
| 152 | P | C | -0.7918 | mutated: SP152C |
| 153 | N | C | -1.2416 | |
| 154 | I | C | 0.0000 | |
| 155 | E | C | -1.0787 | |
| 156 | T | C | 0.0000 | |
| 157 | V | C | 0.0000 | |
| 158 | I | C | 0.0000 | |
| 159 | E | C | -0.6378 | |
| 160 | F | C | 0.0000 | |
| 161 | Q | C | 0.0000 | |
| 162 | Q | C | 0.0000 | |
| 163 | K | C | -0.6347 | |
| 164 | N | C | 0.0000 | |
| 165 | N | C | -0.8333 | |
| 166 | R | C | -0.6922 | |
| 167 | L | C | 0.0000 | |
| 168 | L | C | -0.4887 | |
| 169 | E | C | -0.6681 | |
| 170 | I | C | 0.0000 | |
| 171 | T | C | 0.0000 | |
| 172 | R | C | -0.6196 | |
| 173 | E | C | -0.4868 | |
| 174 | F | C | 0.0000 | |
| 175 | S | C | 0.0000 | |
| 176 | V | C | -0.0943 | |
| 177 | N | C | -0.2851 | |
| 178 | A | C | -0.2592 | |
| 179 | G | C | 0.0000 | |
| 180 | V | C | 0.3539 | |
| 181 | T | C | 0.0000 | |
| 182 | T | C | 0.1096 | |
| 183 | P | C | 0.0419 | |
| 184 | V | C | 0.0000 | |
| 185 | S | C | 0.0000 | |
| 186 | T | C | 0.0000 | |
| 187 | Y | C | -0.1337 | |
| 188 | M | C | 0.0000 | |
| 189 | L | C | 0.0000 | |
| 190 | T | C | -0.2125 | |
| 191 | N | C | 0.0000 | |
| 192 | S | C | -0.3326 | |
| 193 | E | C | -0.5331 | |
| 194 | L | C | 0.0000 | |
| 195 | L | C | -0.4701 | |
| 196 | S | C | -0.8792 | |
| 197 | L | C | 0.0000 | |
| 198 | I | C | 0.0000 | |
| 199 | N | C | -2.1433 | |
| 200 | D | C | -1.5443 | |
| 201 | M | C | 0.0000 | |
| 202 | P | C | -0.9348 | |
| 203 | I | C | -1.2233 | |
| 204 | T | C | -1.7353 | |
| 205 | N | C | -3.0691 | |
| 206 | D | C | -2.9973 | |
| 207 | Q | C | -2.0670 | |
| 208 | K | C | -2.6700 | |
| 209 | K | C | -2.9485 | |
| 210 | L | C | -1.3445 | |
| 211 | M | C | 0.0000 | |
| 212 | S | C | -0.9689 | |
| 213 | N | C | -0.9399 | |
| 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 | -0.2862 | |
| 221 | Q | C | -0.2366 | |
| 222 | S | C | 0.0000 | |
| 223 | Y | C | 0.2944 | |
| 224 | S | C | 0.0000 | |
| 225 | I | C | 0.0000 | |
| 226 | M | C | 0.0000 | |
| 227 | S | C | 0.0000 | |
| 228 | I | C | -0.8066 | |
| 229 | I | C | -1.2315 | |
| 230 | K | C | -2.6411 | |
| 231 | E | C | -2.5465 | |
| 232 | E | C | -2.2979 | |
| 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 | 0.2443 | |
| 240 | L | C | 0.0000 | |
| 241 | P | C | 0.0000 | |
| 242 | L | C | 0.2965 | |
| 243 | Y | C | 0.0000 | |
| 244 | G | C | 0.2291 | |
| 245 | V | C | 0.6052 | |
| 246 | I | C | 0.1058 | |
| 247 | D | C | -1.1595 | |
| 248 | T | C | 0.0000 | |
| 249 | P | C | -0.4611 | |
| 250 | C | C | 0.0000 | |
| 251 | W | C | 0.0637 | |
| 252 | K | C | 0.0000 | |
| 253 | L | C | 0.0000 | |
| 254 | H | C | 0.0000 | |
| 255 | T | C | -0.2111 | |
| 256 | S | C | 0.0000 | |
| 257 | P | C | -0.0545 | |
| 258 | L | C | 0.0000 | |
| 259 | C | C | -0.2437 | |
| 260 | T | C | 0.0000 | |
| 261 | T | C | -0.4797 | |
| 262 | N | C | 0.0000 | |
| 263 | T | C | -1.1480 | |
| 264 | K | C | -2.1024 | |
| 265 | E | C | -2.3626 | |
| 266 | G | C | -1.7413 | |
| 267 | S | C | 0.0000 | |
| 268 | N | C | -0.8851 | |
| 269 | I | C | 0.0000 | |
| 270 | C | C | 0.0000 | |
| 271 | L | C | 0.0000 | |
| 272 | T | C | -0.1152 | |
| 273 | R | C | 0.0000 | |
| 274 | T | C | 0.0000 | |
| 275 | D | C | -1.2125 | |
| 276 | R | C | -1.1763 | |
| 277 | G | C | 0.0000 | |
| 278 | W | C | 0.0000 | |
| 279 | Y | C | 0.0000 | |
| 280 | C | C | 0.0000 | |
| 281 | D | C | -0.6386 | |
| 282 | N | C | 0.0000 | |
| 283 | A | C | -0.2922 | |
| 284 | G | C | -0.4911 | |
| 285 | S | C | -0.5780 | |
| 286 | V | C | 0.0000 | |
| 287 | S | C | 0.0000 | |
| 288 | F | C | 0.0000 | |
| 289 | F | C | -0.4728 | |
| 290 | P | C | -1.0505 | |
| 291 | Q | C | -1.6989 | |
| 292 | A | C | 0.0000 | |
| 293 | E | C | -1.3522 | |
| 294 | T | C | -0.7772 | |
| 295 | C | C | 0.0000 | |
| 296 | K | C | -0.7087 | |
| 297 | V | C | 0.0000 | |
| 298 | Q | C | -0.8094 | |
| 299 | S | C | -0.8253 | |
| 300 | N | C | -0.9695 | |
| 301 | R | C | -0.9921 | |
| 302 | V | C | 0.0000 | |
| 303 | F | C | 0.0000 | |
| 304 | C | C | 0.0000 | |
| 305 | D | C | -0.4845 | |
| 306 | T | C | 0.0000 | |
| 307 | M | C | 0.0909 | |
| 308 | N | C | -0.7406 | |
| 309 | S | C | -0.2127 | |
| 310 | L | C | 0.2144 | |
| 311 | T | C | 0.0000 | |
| 312 | L | C | -0.2977 | |
| 313 | P | C | -0.5870 | |
| 314 | P | C | -0.6244 | mutated: SP314C |
| 315 | E | C | -0.5317 | |
| 316 | V | C | -0.1376 | |
| 317 | N | C | -0.1264 | |
| 318 | L | C | 0.4017 | |
| 319 | C | C | 0.0000 | |
| 320 | N | C | 0.0000 | |
| 321 | V | C | 0.4699 | |
| 322 | D | C | -0.3328 | |
| 323 | I | C | 1.3254 | |
| 324 | F | C | 0.4881 | |
| 325 | N | C | -0.5338 | |
| 326 | P | C | -0.9868 | |
| 327 | K | C | -2.4667 | |
| 328 | Y | C | -1.6646 | |
| 329 | D | C | -1.7157 | |
| 330 | C | C | 0.0000 | |
| 331 | K | C | -0.9058 | |
| 332 | I | C | 0.0000 | |
| 333 | M | C | -0.1561 | |
| 334 | T | C | 0.0000 | |
| 335 | S | C | 0.0329 | |
| 336 | K | C | -0.3420 | |
| 337 | T | C | -0.3006 | |
| 338 | D | C | 0.0000 | |
| 339 | V | C | 0.0432 | |
| 340 | S | C | 0.0000 | |
| 341 | S | C | -0.2549 | |
| 342 | S | C | 0.1793 | |
| 343 | V | C | 0.3513 | |
| 344 | I | C | 0.4435 | |
| 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 | -0.4483 | |
| 353 | C | C | 0.0000 | |
| 354 | Y | C | 0.0000 | |
| 355 | G | C | -1.1591 | |
| 356 | K | C | -1.1871 | |
| 357 | T | C | -1.3533 | |
| 358 | K | C | -2.1116 | |
| 359 | C | C | 0.0000 | |
| 360 | T | C | -0.1935 | |
| 361 | A | C | 0.0000 | |
| 362 | S | C | -0.0832 | |
| 363 | N | C | 0.0000 | |
| 364 | K | C | -2.2347 | |
| 365 | N | C | -2.3544 | |
| 366 | R | C | -2.4696 | |
| 367 | G | C | -0.8625 | |
| 368 | I | C | 1.1272 | |
| 369 | I | C | 0.5114 | |
| 370 | K | C | -0.4195 | |
| 371 | T | C | -0.4094 | |
| 372 | F | C | -0.7595 | |
| 373 | S | C | -1.1240 | |
| 374 | N | C | -1.2443 | |
| 375 | G | C | -0.8152 | |
| 376 | C | C | 0.0000 | |
| 377 | D | C | -1.1336 | |
| 378 | Y | C | 0.0000 | |
| 379 | V | C | 0.0000 | |
| 380 | S | C | 0.0000 | |
| 381 | N | C | -1.1711 | |
| 382 | K | C | -2.1663 | |
| 383 | G | C | 0.0000 | |
| 384 | V | C | 0.0000 | |
| 385 | D | C | 0.0000 | |
| 386 | T | C | 0.0529 | |
| 387 | V | C | 0.0000 | |
| 388 | S | C | -0.4231 | |
| 389 | V | C | 0.0000 | |
| 390 | G | C | -0.9167 | |
| 391 | N | C | -0.9109 | |
| 392 | T | C | 0.0000 | |
| 393 | L | C | 0.0520 | |
| 394 | Y | C | 0.0000 | |
| 395 | Y | C | 0.3201 | |
| 396 | V | C | 0.0000 | |
| 397 | N | C | 0.0000 | |
| 398 | K | C | -1.3977 | |
| 399 | Q | C | -1.8961 | |
| 400 | E | C | 0.0000 | |
| 401 | G | C | -1.6440 | |
| 402 | K | C | 0.0000 | |
| 403 | S | C | 0.0009 | |
| 404 | L | C | 0.8444 | |
| 405 | Y | C | 0.4153 | |
| 406 | V | C | -0.3135 | |
| 407 | K | C | -1.8736 | |
| 408 | G | C | -1.9074 | |
| 409 | E | C | -2.3083 | |
| 410 | P | C | 0.0000 | |
| 411 | I | C | 0.2810 | |
| 412 | I | C | 0.4336 | |
| 413 | N | C | -0.3837 | |
| 414 | F | C | 0.2228 | |
| 415 | Y | C | -0.0335 | |
| 416 | D | C | -1.4969 | |
| 417 | P | C | 0.0000 | |
| 418 | L | C | 0.7590 | |
| 419 | V | C | 0.0000 | |
| 420 | F | C | 0.2626 | |
| 421 | P | C | -0.3051 | |
| 422 | S | C | -0.0108 | |
| 423 | S | C | 0.3844 | mutated: DS423C |
| 424 | L | C | 0.5196 | mutated: EL424C |
| 425 | F | C | 0.2442 | |
| 426 | D | C | -1.3630 | |
| 427 | A | C | 0.0000 | |
| 428 | S | C | 0.0000 | |
| 429 | I | C | 0.0000 | |
| 430 | S | C | 0.0000 | |
| 431 | Q | C | 0.0000 | |
| 432 | V | C | 0.0000 | |
| 433 | N | C | -1.3299 | |
| 434 | E | C | -1.8948 | |
| 435 | K | C | -1.4257 | |
| 436 | I | C | 0.0000 | |
| 437 | N | C | -1.5632 | |
| 438 | Q | C | -0.6419 | |
| 439 | S | C | -0.1458 | |
| 440 | L | C | 0.2177 | |
| 441 | A | C | -0.3591 | |
| 442 | W | C | 0.0978 | mutated: FW442C |
| 443 | I | C | 0.3682 | |
| 444 | R | C | -1.8496 | |
| 445 | K | C | -1.4653 | |
| 446 | F | C | 0.0000 | mutated: SF446C |
| 447 | D | C | -2.5291 | |
| 448 | E | C | -2.2886 | |
| 449 | L | C | -0.5245 | |
| 450 | L | C | -0.7439 | |
| 451 | H | C | -1.6951 |
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, -0.4779 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_6 | -0.4779 | View | CSV | PDB |
| model_9 | -0.498 | View | CSV | PDB |
| model_0 | -0.4986 | View | CSV | PDB |
| model_8 | -0.5002 | View | CSV | PDB |
| model_4 | -0.5073 | View | CSV | PDB |
| model_7 | -0.5124 | View | CSV | PDB |
| model_1 | -0.5151 | View | CSV | PDB |
| model_2 | -0.5156 | View | CSV | PDB |
| CABS_average | -0.5178 | View | CSV | PDB |
| model_5 | -0.5248 | View | CSV | PDB |
| model_10 | -0.5411 | View | CSV | PDB |
| model_3 | -0.5577 | View | CSV | PDB |
| model_11 | -0.5647 | View | CSV | PDB |
| input | -0.6331 | 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