| Chain sequence(s) |
A: DKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLYITREPEVTCVVVDVEHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKAFPAPIEKTISKAKGQPREPQVYTLPPSRDELTENQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSWLTVDKSRWQQGNVFSCSVMHEALAFHYTQKSLSLSPGKDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLYITREPEVTCVVVDVEHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKAFPAPIEKTISKAKGQPREPQVCTLPPSRDELTKNQVSLSCAVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLVSKLTVDKSRWQQGNVFSCSVMHEALAFHYTQKSLSLSPGGGGGSGGGGSGGGGSEVQLLESGGGLVQPGGSLRLSCAASGFTFRSFGMSWVRQAPGKGPEWVSSISGSGSDTLYADSVKGRFTISRDNSKNTLYLQMNSLRPEDTAVYYCTIGGSLSRSSQGTLVTVSSA
B: DKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLYITREPEVTCVVVDVEHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKAFPAPIEKTISKAKGQPREPQVYTLPPSRDELTENQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSWLTVDKSRWQQGNVFSCSVMHEALAFHYTQKSLSLSPGKDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLYITREPEVTCVVVDVEHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKAFPAPIEKTISKAKGQPREPQVCTLPPSRDELTKNQVSLSCAVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLVSKLTVDKSRWQQGNVFSCSVMHEALAFHYTQKSLSLSPGGGGGSGGGGSGGGGSEVQLLESGGGLVQPGGSLRLSCAASGFTFRSFGMSWVRQAPGKGPEWVSSISGSGSDTLYADSVKGRFTISRDNSKNTLYLQMNSLRPEDTAVYYCTIGGSLSRSSQGTLVTVSSA input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | FY214A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -0.000337012 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] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] FoldX: Building mutant model (00:07:22)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:07:36)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/8cc5859dfd5d69f/tmp/folded.pdb (00:07:36)
[INFO] Main: Simulation completed successfully. (00:13:26)
|
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 | D | A | -2.8688 | |
| 2 | K | A | -2.8685 | |
| 3 | T | A | -1.7027 | |
| 4 | H | A | -1.2965 | |
| 5 | T | A | -0.3591 | |
| 6 | C | A | 0.4193 | |
| 7 | P | A | -0.1078 | |
| 8 | P | A | -0.0545 | |
| 9 | C | A | 0.1255 | |
| 10 | P | A | -0.1759 | |
| 11 | A | A | -0.1691 | |
| 12 | P | A | -0.4719 | |
| 13 | E | A | -0.5649 | |
| 14 | A | A | -0.4481 | |
| 15 | A | A | -0.6143 | |
| 16 | G | A | -0.9235 | |
| 17 | G | A | -0.7549 | |
| 18 | P | A | 0.0000 | |
| 19 | S | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | F | A | 0.7114 | |
| 22 | L | A | 0.7606 | |
| 23 | F | A | 1.0374 | |
| 24 | P | A | -0.1858 | |
| 25 | P | A | 0.0000 | |
| 26 | K | A | -2.4525 | |
| 27 | P | A | -1.3076 | |
| 28 | K | A | -1.3512 | |
| 29 | D | A | -1.7865 | |
| 30 | T | A | 0.0000 | |
| 31 | L | A | -0.0427 | |
| 32 | Y | A | 0.5773 | |
| 33 | I | A | 1.2522 | |
| 34 | T | A | -0.1794 | |
| 35 | R | A | -2.1922 | |
| 36 | E | A | -2.5294 | |
| 37 | P | A | 0.0000 | |
| 38 | E | A | -1.7330 | |
| 39 | V | A | 0.0000 | |
| 40 | T | A | 0.0524 | |
| 41 | C | A | 0.0000 | |
| 42 | V | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | V | A | -0.9977 | |
| 45 | D | A | -1.3679 | |
| 46 | V | A | 0.0000 | |
| 47 | E | A | -3.1499 | |
| 48 | H | A | -3.1583 | |
| 49 | E | A | -3.3265 | |
| 50 | D | A | -2.9512 | |
| 51 | P | A | -3.0610 | |
| 52 | E | A | -3.3046 | |
| 53 | V | A | -2.0764 | |
| 54 | K | A | -2.2387 | |
| 55 | F | A | -1.1552 | |
| 56 | N | A | -1.0623 | |
| 57 | W | A | 0.0000 | |
| 58 | Y | A | -0.6164 | |
| 59 | V | A | -0.9366 | |
| 60 | D | A | -2.2410 | |
| 61 | G | A | -0.9186 | |
| 62 | V | A | 0.5766 | |
| 63 | E | A | -0.6195 | |
| 64 | V | A | -0.5016 | |
| 65 | H | A | -1.8666 | |
| 66 | N | A | -2.1683 | |
| 67 | A | A | -1.9246 | |
| 68 | K | A | -2.4731 | |
| 69 | T | A | -2.0624 | |
| 70 | K | A | -2.5404 | |
| 71 | P | A | -2.6350 | |
| 72 | R | A | -3.9603 | |
| 73 | E | A | -4.0758 | |
| 74 | E | A | -3.4816 | |
| 75 | Q | A | -1.6430 | |
| 76 | Y | A | 0.3430 | |
| 77 | N | A | -0.7559 | |
| 78 | S | A | -1.2312 | |
| 79 | T | A | 0.0000 | |
| 80 | Y | A | 0.0000 | |
| 81 | R | A | -2.6853 | |
| 82 | V | A | 0.0000 | |
| 83 | V | A | 0.0000 | |
| 84 | S | A | 0.0000 | |
| 85 | V | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | T | A | -1.1405 | |
| 88 | V | A | 0.0000 | |
| 89 | L | A | 0.4549 | |
| 90 | H | A | 0.0000 | |
| 91 | Q | A | -0.7040 | |
| 92 | D | A | -1.2311 | |
| 93 | W | A | 0.0000 | |
| 94 | L | A | -0.7296 | |
| 95 | N | A | -1.9222 | |
| 96 | G | A | -2.0202 | |
| 97 | K | A | -2.2179 | |
| 98 | E | A | -2.3860 | |
| 99 | Y | A | 0.0000 | |
| 100 | K | A | -1.3368 | |
| 101 | C | A | 0.0000 | |
| 102 | K | A | -1.1590 | |
| 103 | V | A | 0.0000 | |
| 104 | S | A | -1.3943 | |
| 105 | N | A | 0.0000 | |
| 106 | K | A | -2.6351 | |
| 107 | A | A | -1.5863 | |
| 108 | F | A | -0.5219 | |
| 109 | P | A | -0.4544 | |
| 110 | A | A | -0.3639 | |
| 111 | P | A | -0.7769 | |
| 112 | I | A | -0.4527 | |
| 113 | E | A | -1.2357 | |
| 114 | K | A | -0.6113 | |
| 115 | T | A | -0.7342 | |
| 116 | I | A | -0.1642 | |
| 117 | S | A | -1.2276 | |
| 118 | K | A | -1.2706 | |
| 119 | A | A | -1.1491 | |
| 120 | K | A | -2.3352 | |
| 121 | G | A | -2.0504 | |
| 122 | Q | A | -2.2812 | |
| 123 | P | A | -2.0681 | |
| 124 | R | A | -2.7387 | |
| 125 | E | A | -2.8469 | |
| 126 | P | A | 0.0000 | |
| 127 | Q | A | -1.6558 | |
| 128 | V | A | 0.0000 | |
| 129 | Y | A | 0.0000 | |
| 130 | T | A | -0.8007 | |
| 131 | L | A | 0.0000 | |
| 132 | P | A | -0.1072 | |
| 133 | P | A | 0.0000 | |
| 134 | S | A | -0.8341 | |
| 135 | R | A | -1.4435 | |
| 136 | D | A | -2.1836 | |
| 137 | E | A | 0.0000 | |
| 138 | L | A | -0.8967 | |
| 139 | T | A | -1.0730 | |
| 140 | E | A | -1.6569 | |
| 141 | N | A | -2.2363 | |
| 142 | Q | A | -1.7372 | |
| 143 | V | A | 0.0000 | |
| 144 | S | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | T | A | 0.0000 | |
| 147 | C | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | K | A | 0.0000 | |
| 151 | G | A | -1.3688 | |
| 152 | F | A | 0.0000 | |
| 153 | Y | A | -1.3776 | |
| 154 | P | A | 0.0000 | |
| 155 | S | A | -0.3264 | |
| 156 | D | A | -0.9834 | |
| 157 | I | A | -0.5375 | |
| 158 | A | A | 0.0000 | |
| 159 | V | A | 0.0000 | |
| 160 | E | A | -1.2692 | |
| 161 | W | A | 0.0000 | |
| 162 | E | A | -1.7587 | |
| 163 | S | A | 0.0000 | |
| 164 | N | A | -1.8107 | |
| 165 | G | A | -1.7345 | |
| 166 | Q | A | -2.2534 | |
| 167 | P | A | -1.9175 | |
| 168 | E | A | 0.0000 | |
| 169 | N | A | -2.0411 | |
| 170 | N | A | -1.4767 | |
| 171 | Y | A | -0.8783 | |
| 172 | K | A | -0.6967 | |
| 173 | T | A | -0.2665 | |
| 174 | T | A | 0.0000 | |
| 175 | P | A | -0.1174 | |
| 176 | P | A | -0.0391 | |
| 177 | V | A | 0.0977 | |
| 178 | L | A | -0.2011 | |
| 179 | D | A | -1.2281 | |
| 180 | S | A | -1.6661 | |
| 181 | D | A | -2.0986 | |
| 182 | G | A | -1.1990 | |
| 183 | S | A | 0.0000 | |
| 184 | F | A | -0.3174 | |
| 185 | F | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | Y | A | 0.0000 | |
| 188 | S | A | 0.0000 | |
| 189 | W | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | T | A | -0.7308 | |
| 192 | V | A | 0.0000 | |
| 193 | D | A | -2.0333 | |
| 194 | K | A | 0.0000 | |
| 195 | S | A | -1.5427 | |
| 196 | R | A | -0.9624 | |
| 197 | W | A | 0.0000 | |
| 198 | Q | A | 0.0000 | |
| 199 | Q | A | 0.0000 | |
| 200 | G | A | 0.0000 | |
| 201 | N | A | -0.0139 | |
| 202 | V | A | 0.5603 | |
| 203 | F | A | 0.0000 | |
| 204 | S | A | 0.0000 | |
| 205 | C | A | 0.0000 | |
| 206 | S | A | 0.0000 | |
| 207 | V | A | 0.0000 | |
| 208 | M | A | 0.0000 | |
| 209 | H | A | 0.0000 | |
| 210 | E | A | -0.6235 | |
| 211 | A | A | -1.1642 | |
| 212 | L | A | 0.0000 | |
| 213 | A | A | 0.4429 | |
| 214 | Y | A | 1.4120 | mutated: FY214A |
| 215 | H | A | 0.3837 | |
| 216 | Y | A | 0.6583 | |
| 217 | T | A | -0.1794 | |
| 218 | Q | A | -1.1640 | |
| 219 | K | A | -1.0551 | |
| 220 | S | A | -0.4545 | |
| 221 | L | A | 0.0000 | |
| 222 | S | A | 0.4465 | |
| 223 | L | A | 0.5202 | |
| 224 | S | A | -0.3429 | |
| 225 | P | A | -0.9189 | |
| 226 | G | A | -1.9304 | |
| 227 | K | A | -3.1938 | |
| 228 | D | A | -3.5949 | |
| 229 | K | A | -3.0277 | |
| 230 | T | A | -1.7630 | |
| 231 | H | A | -1.2012 | |
| 232 | T | A | -0.7606 | |
| 233 | C | A | -0.7206 | |
| 234 | P | A | -0.3165 | |
| 235 | P | A | -0.2827 | |
| 236 | C | A | -0.0623 | |
| 237 | P | A | -0.2077 | |
| 238 | A | A | -0.0010 | |
| 239 | P | A | -0.2266 | |
| 240 | E | A | -0.3937 | |
| 241 | A | A | -0.2900 | |
| 242 | A | A | -0.7069 | |
| 243 | G | A | -0.8736 | |
| 244 | G | A | -0.6925 | |
| 245 | P | A | 0.0000 | |
| 246 | S | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | F | A | 0.0000 | |
| 249 | L | A | -0.0357 | |
| 250 | F | A | -0.0556 | |
| 251 | P | A | -0.3632 | |
| 252 | P | A | 0.0000 | |
| 253 | K | A | -1.4881 | |
| 254 | P | A | 0.0000 | |
| 255 | K | A | -1.1815 | |
| 256 | D | A | -1.4525 | |
| 257 | T | A | 0.0000 | |
| 258 | L | A | 0.0000 | |
| 259 | Y | A | 0.0000 | |
| 260 | I | A | 0.0000 | |
| 261 | T | A | -1.2998 | |
| 262 | R | A | -2.1999 | |
| 263 | E | A | -2.3502 | |
| 264 | P | A | 0.0000 | |
| 265 | E | A | -1.3240 | |
| 266 | V | A | 0.0000 | |
| 267 | T | A | -0.3042 | |
| 268 | C | A | 0.0000 | |
| 269 | V | A | 0.0000 | |
| 270 | V | A | 0.0000 | |
| 271 | V | A | 0.0000 | |
| 272 | D | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | E | A | -3.1058 | |
| 275 | H | A | -3.0180 | |
| 276 | E | A | -3.3651 | |
| 277 | D | A | -3.0132 | |
| 278 | P | A | -3.0066 | |
| 279 | E | A | -3.2663 | |
| 280 | V | A | -2.0022 | |
| 281 | K | A | -2.2329 | |
| 282 | F | A | -1.3333 | |
| 283 | N | A | -1.0635 | |
| 284 | W | A | 0.0000 | |
| 285 | Y | A | -0.5493 | |
| 286 | V | A | -0.7916 | |
| 287 | D | A | -1.9728 | |
| 288 | G | A | -0.7900 | |
| 289 | V | A | 0.6476 | |
| 290 | E | A | -0.6321 | |
| 291 | V | A | -0.5783 | |
| 292 | H | A | -1.8830 | |
| 293 | N | A | -2.1775 | |
| 294 | A | A | -1.8014 | |
| 295 | K | A | -2.2303 | |
| 296 | T | A | -1.5428 | |
| 297 | K | A | -1.4985 | |
| 298 | P | A | -1.6915 | |
| 299 | R | A | -2.2600 | |
| 300 | E | A | 0.0000 | |
| 301 | E | A | -1.4971 | |
| 302 | Q | A | 0.0000 | |
| 303 | Y | A | 0.1690 | |
| 304 | N | A | -0.5584 | |
| 305 | S | A | -0.7793 | |
| 306 | T | A | 0.0000 | |
| 307 | Y | A | 0.0000 | |
| 308 | R | A | -0.9562 | |
| 309 | V | A | 0.0000 | |
| 310 | V | A | 0.0000 | |
| 311 | S | A | 0.0000 | |
| 312 | V | A | 0.0000 | |
| 313 | L | A | 0.0000 | |
| 314 | T | A | -1.0759 | |
| 315 | V | A | 0.0000 | |
| 316 | L | A | -0.4403 | |
| 317 | H | A | 0.0000 | |
| 318 | Q | A | -1.0574 | |
| 319 | D | A | -1.4108 | |
| 320 | W | A | 0.0000 | |
| 321 | L | A | -0.8782 | |
| 322 | N | A | -2.0223 | |
| 323 | G | A | -2.0954 | |
| 324 | K | A | -2.2104 | |
| 325 | E | A | -2.0703 | |
| 326 | Y | A | 0.0000 | |
| 327 | K | A | -1.3224 | |
| 328 | C | A | 0.0000 | |
| 329 | K | A | -1.2475 | |
| 330 | V | A | 0.0000 | |
| 331 | S | A | -1.4541 | |
| 332 | N | A | 0.0000 | |
| 333 | K | A | -2.7311 | |
| 334 | A | A | -1.6921 | |
| 335 | F | A | 0.0000 | |
| 336 | P | A | -0.5555 | |
| 337 | A | A | -0.4643 | |
| 338 | P | A | -0.9213 | |
| 339 | I | A | -0.6485 | |
| 340 | E | A | -1.5228 | |
| 341 | K | A | -1.1051 | |
| 342 | T | A | -0.9522 | |
| 343 | I | A | -0.3056 | |
| 344 | S | A | -1.2129 | |
| 345 | K | A | 0.0000 | |
| 346 | A | A | -1.1079 | |
| 347 | K | A | -2.3277 | |
| 348 | G | A | -1.9622 | |
| 349 | Q | A | -2.1130 | |
| 350 | P | A | -1.6938 | |
| 351 | R | A | -1.9474 | |
| 352 | E | A | -2.4132 | |
| 353 | P | A | 0.0000 | |
| 354 | Q | A | -1.0401 | |
| 355 | V | A | 0.0000 | |
| 356 | C | A | 0.0000 | |
| 357 | T | A | -0.4132 | |
| 358 | L | A | 0.0000 | |
| 359 | P | A | -0.3657 | |
| 360 | P | A | -0.5837 | |
| 361 | S | A | -1.0254 | |
| 362 | R | A | -2.2409 | |
| 363 | D | A | -1.6037 | |
| 364 | E | A | 0.0000 | |
| 365 | L | A | -1.3792 | |
| 366 | T | A | -1.4729 | |
| 367 | K | A | -2.5396 | |
| 368 | N | A | -2.4920 | |
| 369 | Q | A | -1.9931 | |
| 370 | V | A | 0.0000 | |
| 371 | S | A | 0.0000 | |
| 372 | L | A | 0.0000 | |
| 373 | S | A | 0.0000 | |
| 374 | C | A | 0.0000 | |
| 375 | A | A | 0.0000 | |
| 376 | V | A | 0.0000 | |
| 377 | K | A | -0.4814 | |
| 378 | G | A | -0.9801 | |
| 379 | F | A | 0.0000 | |
| 380 | Y | A | -1.0220 | |
| 381 | P | A | 0.0000 | |
| 382 | S | A | -0.1647 | |
| 383 | D | A | -0.9375 | |
| 384 | I | A | 0.0000 | |
| 385 | A | A | 0.0000 | |
| 386 | V | A | 0.0000 | |
| 387 | E | A | -0.3834 | |
| 388 | W | A | 0.0000 | |
| 389 | E | A | 0.0000 | |
| 390 | S | A | 0.0000 | |
| 391 | N | A | -1.5284 | |
| 392 | G | A | -1.2623 | |
| 393 | Q | A | -1.2461 | |
| 394 | P | A | -0.7343 | |
| 395 | E | A | 0.0000 | |
| 396 | N | A | 0.0000 | |
| 397 | N | A | 0.0000 | |
| 398 | Y | A | 0.0368 | |
| 399 | K | A | 0.0000 | |
| 400 | T | A | -0.0801 | |
| 401 | T | A | 0.0000 | |
| 402 | P | A | -0.0194 | |
| 403 | P | A | 0.2504 | |
| 404 | V | A | 0.7006 | |
| 405 | L | A | 0.9927 | |
| 406 | D | A | -0.3309 | |
| 407 | S | A | -1.0202 | |
| 408 | D | A | -1.8646 | |
| 409 | G | A | -0.8318 | |
| 410 | S | A | 0.0000 | |
| 411 | F | A | 0.1795 | |
| 412 | F | A | 0.0000 | |
| 413 | L | A | 0.0000 | |
| 414 | V | A | 0.0000 | |
| 415 | S | A | 0.0000 | |
| 416 | K | A | 0.0000 | |
| 417 | L | A | 0.0000 | |
| 418 | T | A | 0.0000 | |
| 419 | V | A | 0.0000 | |
| 420 | D | A | -1.8182 | |
| 421 | K | A | -2.1867 | |
| 422 | S | A | -1.8335 | |
| 423 | R | A | -1.4323 | |
| 424 | W | A | 0.0000 | |
| 425 | Q | A | -2.1344 | |
| 426 | Q | A | -1.9923 | |
| 427 | G | A | -1.0343 | |
| 428 | N | A | -0.6827 | |
| 429 | V | A | 0.4080 | |
| 430 | F | A | 0.0000 | |
| 431 | S | A | 0.0000 | |
| 432 | C | A | 0.0000 | |
| 433 | S | A | 0.0000 | |
| 434 | V | A | 0.0000 | |
| 435 | M | A | 0.0000 | |
| 436 | H | A | 0.0000 | |
| 437 | E | A | -0.7684 | |
| 438 | A | A | -1.1563 | |
| 439 | L | A | 0.0000 | |
| 440 | A | A | -0.3214 | |
| 441 | F | A | -0.2636 | |
| 442 | H | A | -0.6831 | |
| 443 | Y | A | 0.0000 | |
| 444 | T | A | 0.0000 | |
| 445 | Q | A | 0.0000 | |
| 446 | K | A | 0.0000 | |
| 447 | S | A | -0.1478 | |
| 448 | L | A | 0.0000 | |
| 449 | S | A | -0.0922 | |
| 450 | L | A | -0.3839 | |
| 451 | S | A | -0.5871 | |
| 452 | P | A | -1.0022 | |
| 453 | G | A | -1.0142 | |
| 454 | G | A | -1.2354 | |
| 455 | G | A | -1.2836 | |
| 456 | G | A | -1.2524 | |
| 457 | G | A | -1.2353 | |
| 458 | S | A | -1.1201 | |
| 459 | G | A | -1.1848 | |
| 460 | G | A | -1.2173 | |
| 461 | G | A | -1.1891 | |
| 462 | G | A | -1.2726 | |
| 463 | S | A | -1.0531 | |
| 464 | G | A | -1.6344 | |
| 465 | G | A | -1.4283 | |
| 466 | G | A | -1.5887 | |
| 467 | G | A | -1.0380 | |
| 468 | S | A | -1.0596 | |
| 469 | E | A | -1.3912 | |
| 470 | V | A | 0.0000 | |
| 471 | Q | A | -0.3948 | |
| 472 | L | A | 0.0000 | |
| 473 | L | A | 0.5406 | |
| 474 | E | A | -0.1707 | |
| 475 | S | A | -0.4160 | |
| 476 | G | A | -0.8637 | |
| 477 | G | A | 0.0025 | |
| 478 | G | A | 0.6780 | |
| 479 | L | A | 1.4464 | |
| 480 | V | A | -0.0474 | |
| 481 | Q | A | -1.3138 | |
| 482 | P | A | -1.5783 | |
| 483 | G | A | -1.4176 | |
| 484 | G | A | -0.9476 | |
| 485 | S | A | -1.3033 | |
| 486 | L | A | -1.0638 | |
| 487 | R | A | -2.1419 | |
| 488 | L | A | 0.0000 | |
| 489 | S | A | -0.5729 | |
| 490 | C | A | 0.0000 | |
| 491 | A | A | -0.2655 | |
| 492 | A | A | 0.0000 | |
| 493 | S | A | -0.5945 | |
| 494 | G | A | -0.7568 | |
| 495 | F | A | -0.5959 | |
| 496 | T | A | -0.8626 | |
| 497 | F | A | 0.0000 | |
| 498 | R | A | -2.6456 | |
| 499 | S | A | -1.5358 | |
| 500 | F | A | 0.0000 | |
| 501 | G | A | -0.6783 | |
| 502 | M | A | 0.0000 | |
| 503 | S | A | 0.0000 | |
| 504 | W | A | 0.0000 | |
| 505 | V | A | 0.0000 | |
| 506 | R | A | 0.0000 | |
| 507 | Q | A | 0.0000 | |
| 508 | A | A | -1.0523 | |
| 509 | P | A | -0.9040 | |
| 510 | G | A | -1.4393 | |
| 511 | K | A | -2.2976 | |
| 512 | G | A | -1.9328 | |
| 513 | P | A | -1.4622 | |
| 514 | E | A | -1.0954 | |
| 515 | W | A | -0.2958 | |
| 516 | V | A | 0.0000 | |
| 517 | S | A | 0.0000 | |
| 518 | S | A | 0.0000 | |
| 519 | I | A | 0.0000 | |
| 520 | S | A | -0.5131 | |
| 521 | G | A | -1.1547 | |
| 522 | S | A | -1.0870 | |
| 523 | G | A | -0.8932 | |
| 524 | S | A | -0.3611 | |
| 525 | D | A | 0.0000 | |
| 526 | T | A | 0.0955 | |
| 527 | L | A | -0.1093 | |
| 528 | Y | A | -0.7180 | |
| 529 | A | A | -1.2654 | |
| 530 | D | A | -2.4150 | |
| 531 | S | A | -1.7104 | |
| 532 | V | A | 0.0000 | |
| 533 | K | A | -2.5579 | |
| 534 | G | A | -1.7279 | |
| 535 | R | A | -1.5891 | |
| 536 | F | A | 0.0000 | |
| 537 | T | A | -0.8336 | |
| 538 | I | A | 0.0000 | |
| 539 | S | A | -0.3971 | |
| 540 | R | A | -1.1939 | |
| 541 | D | A | -1.6869 | |
| 542 | N | A | -2.1613 | |
| 543 | S | A | -1.7894 | |
| 544 | K | A | -2.5019 | |
| 545 | N | A | -2.0152 | |
| 546 | T | A | -1.2205 | |
| 547 | L | A | 0.0000 | |
| 548 | Y | A | -0.5774 | |
| 549 | L | A | 0.0000 | |
| 550 | Q | A | -1.2817 | |
| 551 | M | A | 0.0000 | |
| 552 | N | A | -1.5141 | |
| 553 | S | A | -1.2525 | |
| 554 | L | A | 0.0000 | |
| 555 | R | A | -2.2678 | |
| 556 | P | A | -1.9239 | |
| 557 | E | A | -2.3079 | |
| 558 | D | A | 0.0000 | |
| 559 | T | A | -0.4372 | |
| 560 | A | A | 0.0000 | |
| 561 | V | A | 0.6077 | |
| 562 | Y | A | 0.0000 | |
| 563 | Y | A | 0.0000 | |
| 564 | C | A | 0.0000 | |
| 565 | T | A | 0.0000 | |
| 566 | I | A | 0.0000 | |
| 567 | G | A | -0.3431 | |
| 568 | G | A | -0.1064 | |
| 569 | S | A | -0.3042 | |
| 570 | L | A | 0.0000 | |
| 571 | S | A | -0.4323 | |
| 572 | R | A | 0.0000 | |
| 573 | S | A | 0.0000 | |
| 574 | S | A | 0.0000 | |
| 575 | Q | A | -0.8886 | |
| 576 | G | A | -0.1829 | |
| 577 | T | A | 0.3175 | |
| 578 | L | A | 1.4468 | |
| 579 | V | A | 0.0000 | |
| 580 | T | A | 0.3217 | |
| 581 | V | A | 0.0000 | |
| 582 | S | A | -0.7657 | |
| 583 | S | A | -0.6601 | |
| 584 | A | A | -0.1049 | |
| 1 | D | B | -2.7482 | |
| 2 | K | B | -2.8722 | |
| 3 | T | B | -1.8110 | |
| 4 | H | B | -1.4130 | |
| 5 | T | B | -0.5494 | |
| 6 | C | B | 0.2943 | |
| 7 | P | B | -0.1322 | |
| 8 | P | B | -0.0397 | |
| 9 | C | B | 0.1434 | |
| 10 | P | B | -0.1537 | |
| 11 | A | B | -0.2579 | |
| 12 | P | B | -0.5122 | |
| 13 | E | B | -0.6153 | |
| 14 | A | B | -0.4526 | |
| 15 | A | B | -0.5516 | |
| 16 | G | B | -0.9309 | |
| 17 | G | B | -0.8091 | |
| 18 | P | B | 0.0000 | |
| 19 | S | B | 0.0000 | |
| 20 | V | B | 0.0000 | |
| 21 | F | B | 0.7325 | |
| 22 | L | B | 0.7417 | |
| 23 | F | B | 1.0643 | |
| 24 | P | B | -0.1212 | |
| 25 | P | B | 0.0000 | |
| 26 | K | B | -2.3839 | |
| 27 | P | B | -1.3010 | |
| 28 | K | B | -1.5287 | |
| 29 | D | B | -2.0623 | |
| 30 | T | B | 0.0000 | |
| 31 | L | B | 0.0000 | |
| 32 | Y | B | -0.4559 | |
| 33 | I | B | -0.4733 | |
| 34 | T | B | -1.0640 | |
| 35 | R | B | -2.6373 | |
| 36 | E | B | -2.7792 | |
| 37 | P | B | 0.0000 | |
| 38 | E | B | -1.4754 | |
| 39 | V | B | 0.0000 | |
| 40 | T | B | 0.1346 | |
| 41 | C | B | 0.0000 | |
| 42 | V | B | 0.0000 | |
| 43 | V | B | 0.0000 | |
| 44 | V | B | -1.0871 | |
| 45 | D | B | -1.5719 | |
| 46 | V | B | 0.0000 | |
| 47 | E | B | -3.1962 | |
| 48 | H | B | -3.1454 | |
| 49 | E | B | -3.3124 | |
| 50 | D | B | -2.9659 | |
| 51 | P | B | -3.0719 | |
| 52 | E | B | -3.3032 | |
| 53 | V | B | -2.0756 | |
| 54 | K | B | -2.2458 | |
| 55 | F | B | -1.1579 | |
| 56 | N | B | -1.0290 | |
| 57 | W | B | 0.0000 | |
| 58 | Y | B | -0.4044 | |
| 59 | V | B | -0.7478 | |
| 60 | D | B | -1.9784 | |
| 61 | G | B | -0.7341 | |
| 62 | V | B | 0.7790 | |
| 63 | E | B | -0.3395 | |
| 64 | V | B | -0.3811 | |
| 65 | H | B | -1.7953 | |
| 66 | N | B | -2.1131 | |
| 67 | A | B | -1.8539 | |
| 68 | K | B | -2.4019 | |
| 69 | T | B | -2.1205 | |
| 70 | K | B | -2.7528 | |
| 71 | P | B | -2.7444 | |
| 72 | R | B | -4.0253 | |
| 73 | E | B | -4.1049 | |
| 74 | E | B | -3.4914 | |
| 75 | Q | B | -1.6651 | |
| 76 | Y | B | 0.3254 | |
| 77 | N | B | -0.7837 | |
| 78 | S | B | -1.2472 | |
| 79 | T | B | 0.0000 | |
| 80 | Y | B | 0.0000 | |
| 81 | R | B | -2.7429 | |
| 82 | V | B | 0.0000 | |
| 83 | V | B | 0.0000 | |
| 84 | S | B | 0.0000 | |
| 85 | V | B | 0.0000 | |
| 86 | L | B | 0.0000 | |
| 87 | T | B | -1.0191 | |
| 88 | V | B | 0.0000 | |
| 89 | L | B | 0.1127 | |
| 90 | H | B | 0.0000 | |
| 91 | Q | B | -1.0382 | |
| 92 | D | B | -1.3971 | |
| 93 | W | B | 0.0000 | |
| 94 | L | B | -0.8439 | |
| 95 | N | B | -2.0079 | |
| 96 | G | B | -2.0614 | |
| 97 | K | B | -2.2508 | |
| 98 | E | B | -2.3315 | |
| 99 | Y | B | 0.0000 | |
| 100 | K | B | -1.2995 | |
| 101 | C | B | 0.0000 | |
| 102 | K | B | -1.2125 | |
| 103 | V | B | 0.0000 | |
| 104 | S | B | -1.4563 | |
| 105 | N | B | 0.0000 | |
| 106 | K | B | -2.6996 | |
| 107 | A | B | -1.6962 | |
| 108 | F | B | 0.0000 | |
| 109 | P | B | -0.5494 | |
| 110 | A | B | -0.4370 | |
| 111 | P | B | -0.8484 | |
| 112 | I | B | -0.5403 | |
| 113 | E | B | -1.2739 | |
| 114 | K | B | -0.6500 | |
| 115 | T | B | -0.7288 | |
| 116 | I | B | -0.1321 | |
| 117 | S | B | -1.2335 | |
| 118 | K | B | -1.2914 | |
| 119 | A | B | -1.1406 | |
| 120 | K | B | -2.3364 | |
| 121 | G | B | -2.0018 | |
| 122 | Q | B | -2.1733 | |
| 123 | P | B | -1.8423 | |
| 124 | R | B | -2.1970 | |
| 125 | E | B | -2.3764 | |
| 126 | P | B | 0.0000 | |
| 127 | Q | B | -1.1841 | |
| 128 | V | B | 0.0000 | |
| 129 | Y | B | 0.0000 | |
| 130 | T | B | -0.5871 | |
| 131 | L | B | 0.0000 | |
| 132 | P | B | -0.3515 | |
| 133 | P | B | 0.0000 | |
| 134 | S | B | -1.5317 | |
| 135 | R | B | -2.7613 | |
| 136 | D | B | -2.8521 | |
| 137 | E | B | 0.0000 | |
| 138 | L | B | -1.8816 | |
| 139 | T | B | -1.8322 | |
| 140 | E | B | -2.1676 | |
| 141 | N | B | -2.2723 | |
| 142 | Q | B | -2.0306 | |
| 143 | V | B | 0.0000 | |
| 144 | S | B | 0.0000 | |
| 145 | L | B | 0.0000 | |
| 146 | T | B | 0.0000 | |
| 147 | C | B | 0.0000 | |
| 148 | L | B | 0.0000 | |
| 149 | V | B | 0.0000 | |
| 150 | K | B | 0.0000 | |
| 151 | G | B | -0.9705 | |
| 152 | F | B | 0.0000 | |
| 153 | Y | B | -1.0899 | |
| 154 | P | B | 0.0000 | |
| 155 | S | B | -0.1836 | |
| 156 | D | B | -0.8690 | |
| 157 | I | B | -0.4662 | |
| 158 | A | B | 0.0000 | |
| 159 | V | B | 0.0000 | |
| 160 | E | B | -1.1247 | |
| 161 | W | B | 0.0000 | |
| 162 | E | B | 0.0000 | |
| 163 | S | B | 0.0000 | |
| 164 | N | B | 0.0000 | |
| 165 | G | B | -0.7152 | |
| 166 | Q | B | -0.8402 | |
| 167 | P | B | -1.0522 | |
| 168 | E | B | 0.0000 | |
| 169 | N | B | -2.0354 | |
| 170 | N | B | -1.3777 | |
| 171 | Y | B | -0.8814 | |
| 172 | K | B | -0.7791 | |
| 173 | T | B | -0.3062 | |
| 174 | T | B | 0.0000 | |
| 175 | P | B | -0.0247 | |
| 176 | P | B | 0.0588 | |
| 177 | V | B | 0.1704 | |
| 178 | L | B | 0.0776 | |
| 179 | D | B | -0.8485 | |
| 180 | S | B | -1.4358 | |
| 181 | D | B | -2.0291 | |
| 182 | G | B | -1.1008 | |
| 183 | S | B | 0.0000 | |
| 184 | F | B | -0.0539 | |
| 185 | F | B | 0.0000 | |
| 186 | L | B | 0.0000 | |
| 187 | Y | B | 0.0000 | |
| 188 | S | B | 0.0000 | |
| 189 | W | B | 0.0000 | |
| 190 | L | B | 0.0000 | |
| 191 | T | B | -0.8477 | |
| 192 | V | B | 0.0000 | |
| 193 | D | B | -2.4337 | |
| 194 | K | B | -2.2748 | |
| 195 | S | B | -2.3281 | |
| 196 | R | B | -1.9010 | |
| 197 | W | B | 0.0000 | |
| 198 | Q | B | 0.0000 | |
| 199 | Q | B | -1.2175 | |
| 200 | G | B | 0.0000 | |
| 201 | N | B | 0.0000 | |
| 202 | V | B | 0.0000 | |
| 203 | F | B | 0.0000 | |
| 204 | S | B | 0.0000 | |
| 205 | C | B | 0.0000 | |
| 206 | S | B | 0.0000 | |
| 207 | V | B | 0.0000 | |
| 208 | M | B | 0.0000 | |
| 209 | H | B | 0.0000 | |
| 210 | E | B | -0.6343 | |
| 211 | A | B | -1.1096 | |
| 212 | L | B | 0.0000 | |
| 213 | A | B | -0.0954 | |
| 214 | F | B | 0.4365 | |
| 215 | H | B | -0.0626 | |
| 216 | Y | B | 0.1543 | |
| 217 | T | B | -0.2686 | |
| 218 | Q | B | -0.8825 | |
| 219 | K | B | -1.1304 | |
| 220 | S | B | -0.6201 | |
| 221 | L | B | 0.0000 | |
| 222 | S | B | -0.2259 | |
| 223 | L | B | -0.0287 | |
| 224 | S | B | -0.2671 | |
| 225 | P | B | 0.0000 | |
| 226 | G | B | -1.1947 | |
| 227 | K | B | -1.0539 | |
| 228 | D | B | -1.5549 | |
| 229 | K | B | -1.6731 | |
| 230 | T | B | -1.4889 | |
| 231 | H | B | -1.3608 | |
| 232 | T | B | -0.9313 | |
| 233 | C | B | -0.7379 | |
| 234 | P | B | -1.2532 | |
| 235 | P | B | -0.4231 | |
| 236 | C | B | 0.0000 | |
| 237 | P | B | -1.0068 | |
| 238 | A | B | -0.3976 | |
| 239 | P | B | -0.6261 | |
| 240 | E | B | -0.9642 | |
| 241 | A | B | -0.5710 | |
| 242 | A | B | -0.6049 | |
| 243 | G | B | -0.6856 | |
| 244 | G | B | -0.5800 | |
| 245 | P | B | 0.0000 | |
| 246 | S | B | 0.0000 | |
| 247 | V | B | 0.0000 | |
| 248 | F | B | 0.0435 | |
| 249 | L | B | 0.0000 | |
| 250 | F | B | 0.4754 | |
| 251 | P | B | -0.2354 | |
| 252 | P | B | 0.0000 | |
| 253 | K | B | -2.2981 | |
| 254 | P | B | -1.3911 | |
| 255 | K | B | -1.7850 | |
| 256 | D | B | 0.0000 | |
| 257 | T | B | 0.0000 | |
| 258 | L | B | 0.0000 | |
| 259 | Y | B | 0.0000 | |
| 260 | I | B | 0.0000 | |
| 261 | T | B | -1.0798 | |
| 262 | R | B | -2.3997 | |
| 263 | E | B | -3.0693 | |
| 264 | P | B | 0.0000 | |
| 265 | E | B | -1.7071 | |
| 266 | V | B | 0.0000 | |
| 267 | T | B | -0.0623 | |
| 268 | C | B | 0.0000 | |
| 269 | V | B | 0.0000 | |
| 270 | V | B | 0.0000 | |
| 271 | V | B | -0.7744 | |
| 272 | D | B | -0.8548 | |
| 273 | V | B | 0.0000 | |
| 274 | E | B | -2.4488 | |
| 275 | H | B | -2.8564 | |
| 276 | E | B | -3.1666 | |
| 277 | D | B | -2.8439 | |
| 278 | P | B | -2.9095 | |
| 279 | E | B | -3.2654 | |
| 280 | V | B | -2.1012 | |
| 281 | K | B | -2.2399 | |
| 282 | F | B | -1.2623 | |
| 283 | N | B | -1.1091 | |
| 284 | W | B | 0.0000 | |
| 285 | Y | B | -0.4069 | |
| 286 | V | B | -0.7001 | |
| 287 | D | B | -1.8698 | |
| 288 | G | B | -0.6949 | |
| 289 | V | B | 0.7878 | |
| 290 | E | B | -0.3780 | |
| 291 | V | B | -0.4424 | |
| 292 | H | B | -1.8197 | |
| 293 | N | B | -2.1464 | |
| 294 | A | B | -1.9125 | |
| 295 | K | B | -2.4539 | |
| 296 | T | B | -2.0366 | |
| 297 | K | B | -2.4748 | |
| 298 | P | B | -2.6155 | |
| 299 | R | B | -3.9683 | |
| 300 | E | B | -4.1020 | |
| 301 | E | B | -3.3820 | |
| 302 | Q | B | -1.4410 | |
| 303 | Y | B | 0.5749 | |
| 304 | N | B | -0.1946 | |
| 305 | S | B | -1.0519 | |
| 306 | T | B | 0.0000 | |
| 307 | Y | B | 0.0000 | |
| 308 | R | B | -2.5417 | |
| 309 | V | B | 0.0000 | |
| 310 | V | B | 0.0000 | |
| 311 | S | B | 0.0000 | |
| 312 | V | B | 0.0000 | |
| 313 | L | B | 0.0000 | |
| 314 | T | B | -1.5032 | |
| 315 | V | B | 0.0000 | |
| 316 | L | B | -1.0431 | |
| 317 | H | B | 0.0000 | |
| 318 | Q | B | -1.0063 | |
| 319 | D | B | -1.4422 | |
| 320 | W | B | 0.0000 | |
| 321 | L | B | -0.9603 | |
| 322 | N | B | -1.9313 | |
| 323 | G | B | -1.9296 | |
| 324 | K | B | -2.1131 | |
| 325 | E | B | -1.9765 | |
| 326 | Y | B | 0.0000 | |
| 327 | K | B | -1.4913 | |
| 328 | C | B | 0.0000 | |
| 329 | K | B | -1.6696 | |
| 330 | V | B | 0.0000 | |
| 331 | S | B | -1.6080 | |
| 332 | N | B | 0.0000 | |
| 333 | K | B | -2.6514 | |
| 334 | A | B | -1.5379 | |
| 335 | F | B | 0.0000 | |
| 336 | P | B | -0.5815 | |
| 337 | A | B | -0.5971 | |
| 338 | P | B | -1.1577 | |
| 339 | I | B | 0.0000 | |
| 340 | E | B | -2.3371 | |
| 341 | K | B | -1.4395 | |
| 342 | T | B | -1.0550 | |
| 343 | I | B | -0.2688 | |
| 344 | S | B | -1.1027 | |
| 345 | K | B | 0.0000 | |
| 346 | A | B | -1.0695 | |
| 347 | K | B | -2.2784 | |
| 348 | G | B | -2.0736 | |
| 349 | Q | B | -2.3691 | |
| 350 | P | B | -2.1937 | |
| 351 | R | B | -3.1911 | |
| 352 | E | B | -2.9486 | |
| 353 | P | B | 0.0000 | |
| 354 | Q | B | -1.3216 | |
| 355 | V | B | 0.0000 | |
| 356 | C | B | 0.0000 | |
| 357 | T | B | -0.3347 | |
| 358 | L | B | 0.0000 | |
| 359 | P | B | -0.3613 | |
| 360 | P | B | -0.7360 | |
| 361 | S | B | -1.2678 | |
| 362 | R | B | -2.4329 | |
| 363 | D | B | -2.2207 | |
| 364 | E | B | 0.0000 | |
| 365 | L | B | -1.7086 | |
| 366 | T | B | -1.6130 | |
| 367 | K | B | -2.5489 | |
| 368 | N | B | -2.6988 | |
| 369 | Q | B | -2.4072 | |
| 370 | V | B | 0.0000 | |
| 371 | S | B | 0.0000 | |
| 372 | L | B | 0.0000 | |
| 373 | S | B | 0.0000 | |
| 374 | C | B | 0.0000 | |
| 375 | A | B | 0.0000 | |
| 376 | V | B | 0.0000 | |
| 377 | K | B | -0.9576 | |
| 378 | G | B | -1.4834 | |
| 379 | F | B | 0.0000 | |
| 380 | Y | B | -1.7375 | |
| 381 | P | B | 0.0000 | |
| 382 | S | B | -0.4008 | |
| 383 | D | B | -0.9311 | |
| 384 | I | B | 0.0000 | |
| 385 | A | B | -0.7117 | |
| 386 | V | B | 0.0000 | |
| 387 | E | B | -0.9506 | |
| 388 | W | B | 0.0000 | |
| 389 | E | B | 0.0000 | |
| 390 | S | B | 0.0000 | |
| 391 | N | B | -1.7797 | |
| 392 | G | B | -1.6840 | |
| 393 | Q | B | -2.0190 | |
| 394 | P | B | -1.6233 | |
| 395 | E | B | 0.0000 | |
| 396 | N | B | -1.7870 | |
| 397 | N | B | -1.1355 | |
| 398 | Y | B | -0.7552 | |
| 399 | K | B | -0.3920 | |
| 400 | T | B | -0.0966 | |
| 401 | T | B | 0.0000 | |
| 402 | P | B | -0.2056 | |
| 403 | P | B | -0.1392 | |
| 404 | V | B | 0.0000 | |
| 405 | L | B | -0.0655 | |
| 406 | D | B | 0.0000 | |
| 407 | S | B | 0.0000 | |
| 408 | D | B | -2.5511 | |
| 409 | G | B | -1.7400 | |
| 410 | S | B | 0.0000 | |
| 411 | F | B | -0.4024 | |
| 412 | F | B | 0.0000 | |
| 413 | L | B | 0.0000 | |
| 414 | V | B | 0.0000 | |
| 415 | S | B | 0.0000 | |
| 416 | K | B | 0.0000 | |
| 417 | L | B | 0.0000 | |
| 418 | T | B | -0.7829 | |
| 419 | V | B | 0.0000 | |
| 420 | D | B | -2.4509 | |
| 421 | K | B | -2.6100 | |
| 422 | S | B | -2.1616 | |
| 423 | R | B | -1.9040 | |
| 424 | W | B | 0.0000 | |
| 425 | Q | B | -2.3081 | |
| 426 | Q | B | -2.0952 | |
| 427 | G | B | -1.1011 | |
| 428 | N | B | -0.7730 | |
| 429 | V | B | 0.3076 | |
| 430 | F | B | 0.0000 | |
| 431 | S | B | 0.0000 | |
| 432 | C | B | 0.0000 | |
| 433 | S | B | 0.0000 | |
| 434 | V | B | 0.0000 | |
| 435 | M | B | 0.0000 | |
| 436 | H | B | 0.0000 | |
| 437 | E | B | -0.9922 | |
| 438 | A | B | -1.5491 | |
| 439 | L | B | 0.0000 | |
| 440 | A | B | -0.7968 | |
| 441 | F | B | 0.0000 | |
| 442 | H | B | -0.8773 | |
| 443 | Y | B | 0.0000 | |
| 444 | T | B | 0.0000 | |
| 445 | Q | B | 0.0000 | |
| 446 | K | B | 0.0000 | |
| 447 | S | B | -0.1867 | |
| 448 | L | B | 0.0000 | |
| 449 | S | B | -0.1052 | |
| 450 | L | B | -0.3414 | |
| 451 | S | B | -0.5523 | |
| 452 | P | B | -0.9955 | |
| 453 | G | B | -1.0040 | |
| 454 | G | B | -1.2446 | |
| 455 | G | B | -1.2991 | |
| 456 | G | B | -1.2635 | |
| 457 | G | B | -1.2416 | |
| 458 | S | B | -1.0826 | |
| 459 | G | B | -1.1905 | |
| 460 | G | B | -1.2184 | |
| 461 | G | B | -1.1931 | |
| 462 | G | B | -1.2431 | |
| 463 | S | B | -1.0552 | |
| 464 | G | B | -1.4336 | |
| 465 | G | B | -1.3595 | |
| 466 | G | B | -1.5287 | |
| 467 | G | B | -1.3092 | |
| 468 | S | B | -1.4389 | |
| 469 | E | B | -2.2239 | |
| 470 | V | B | 0.0000 | |
| 471 | Q | B | -0.9928 | |
| 472 | L | B | 0.0000 | |
| 473 | L | B | 0.5525 | |
| 474 | E | B | -0.1645 | |
| 475 | S | B | -0.3874 | |
| 476 | G | B | -0.8765 | |
| 477 | G | B | -0.0121 | |
| 478 | G | B | 0.6350 | |
| 479 | L | B | 1.3645 | |
| 480 | V | B | 0.0000 | |
| 481 | Q | B | -1.3977 | |
| 482 | P | B | -1.5984 | |
| 483 | G | B | -1.4167 | |
| 484 | G | B | -0.9680 | |
| 485 | S | B | -1.3389 | |
| 486 | L | B | -1.1514 | |
| 487 | R | B | -2.2643 | |
| 488 | L | B | 0.0000 | |
| 489 | S | B | -0.5942 | |
| 490 | C | B | 0.0000 | |
| 491 | A | B | -0.3440 | |
| 492 | A | B | 0.0000 | |
| 493 | S | B | -0.9067 | |
| 494 | G | B | -1.1447 | |
| 495 | F | B | -0.7682 | |
| 496 | T | B | -0.8476 | |
| 497 | F | B | 0.0000 | |
| 498 | R | B | -2.7027 | |
| 499 | S | B | -1.6722 | |
| 500 | F | B | 0.0000 | |
| 501 | G | B | -1.2202 | |
| 502 | M | B | 0.0000 | |
| 503 | S | B | 0.0000 | |
| 504 | W | B | 0.0000 | |
| 505 | V | B | 0.0000 | |
| 506 | R | B | 0.0000 | |
| 507 | Q | B | 0.0000 | |
| 508 | A | B | -1.0127 | |
| 509 | P | B | -0.9736 | |
| 510 | G | B | -1.4542 | |
| 511 | K | B | -2.3452 | |
| 512 | G | B | -1.9888 | |
| 513 | P | B | -1.4795 | |
| 514 | E | B | -1.1177 | |
| 515 | W | B | -0.0937 | |
| 516 | V | B | 0.0000 | |
| 517 | S | B | 0.0000 | |
| 518 | S | B | 0.0711 | |
| 519 | I | B | 0.0000 | |
| 520 | S | B | -1.1544 | |
| 521 | G | B | -1.4808 | |
| 522 | S | B | -1.4029 | |
| 523 | G | B | -1.4489 | |
| 524 | S | B | -1.2862 | |
| 525 | D | B | -1.7659 | |
| 526 | T | B | -0.3592 | |
| 527 | L | B | 0.5923 | |
| 528 | Y | B | -0.1914 | |
| 529 | A | B | -1.0122 | |
| 530 | D | B | -2.2732 | |
| 531 | S | B | -1.6869 | |
| 532 | V | B | 0.0000 | |
| 533 | K | B | -2.4122 | |
| 534 | G | B | -1.7084 | |
| 535 | R | B | -1.5751 | |
| 536 | F | B | 0.0000 | |
| 537 | T | B | -0.7705 | |
| 538 | I | B | 0.0000 | |
| 539 | S | B | -0.6424 | |
| 540 | R | B | -1.2429 | |
| 541 | D | B | -1.7532 | |
| 542 | N | B | -2.2474 | |
| 543 | S | B | -1.8581 | |
| 544 | K | B | -2.6179 | |
| 545 | N | B | -2.2570 | |
| 546 | T | B | -1.3162 | |
| 547 | L | B | 0.0000 | |
| 548 | Y | B | -0.6505 | |
| 549 | L | B | 0.0000 | |
| 550 | Q | B | -1.5203 | |
| 551 | M | B | 0.0000 | |
| 552 | N | B | -1.4385 | |
| 553 | S | B | -1.1855 | |
| 554 | L | B | 0.0000 | |
| 555 | R | B | -2.2525 | |
| 556 | P | B | -1.9329 | |
| 557 | E | B | -2.3039 | |
| 558 | D | B | 0.0000 | |
| 559 | T | B | -0.4412 | |
| 560 | A | B | 0.0000 | |
| 561 | V | B | 0.7112 | |
| 562 | Y | B | 0.0000 | |
| 563 | Y | B | 0.0000 | |
| 564 | C | B | 0.0000 | |
| 565 | T | B | 0.0000 | |
| 566 | I | B | 0.0000 | |
| 567 | G | B | -0.8260 | |
| 568 | G | B | -0.3363 | |
| 569 | S | B | -0.5125 | |
| 570 | L | B | 0.0000 | |
| 571 | S | B | 0.0000 | |
| 572 | R | B | 0.0000 | |
| 573 | S | B | 0.0000 | |
| 574 | S | B | 0.0000 | |
| 575 | Q | B | -0.9780 | |
| 576 | G | B | -0.1635 | |
| 577 | T | B | 0.3662 | |
| 578 | L | B | 1.4840 | |
| 579 | V | B | 0.0000 | |
| 580 | T | B | 0.2927 | |
| 581 | V | B | 0.0000 | |
| 582 | S | B | -0.8093 | |
| 583 | S | B | -0.6872 | |
| 584 | A | B | -0.1246 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.592 | 4.3824 | View | CSV | PDB |
| 4.5 | -0.6491 | 4.3824 | View | CSV | PDB |
| 5.0 | -0.7162 | 4.3824 | View | CSV | PDB |
| 5.5 | -0.78 | 4.3824 | View | CSV | PDB |
| 6.0 | -0.8271 | 4.3824 | View | CSV | PDB |
| 6.5 | -0.848 | 4.3824 | View | CSV | PDB |
| 7.0 | -0.8435 | 4.3824 | View | CSV | PDB |
| 7.5 | -0.8227 | 4.3824 | View | CSV | PDB |
| 8.0 | -0.7934 | 4.3824 | View | CSV | PDB |
| 8.5 | -0.7579 | 4.3824 | View | CSV | PDB |
| 9.0 | -0.7165 | 4.3824 | 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