| Chain sequence(s) |
A: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDELKSTQNAIDKITNKVNSVIELTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSLSQLPRGRQPISDPFAGANDRETGGQATDTPVYNFNSLNNRRYDNYDSDSEDRIDNDQDQAIRENRGEPGQPNNQTSENQQRLNLPVPQCTSGMSSEEFQHSMNQYIRAMHEQYRGSQDDDANDATDGNDISLELVGDFDSHHHHHH
B: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDELKSTQNAIDKITNKVNSVIELTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSLSQLPRGRQPISDPFAGANDRETGGQATDTPVYNFNSLNNRRYDNYDSDSEDRIDNDQDQAIRENRGEPGQPNNQTSENQQRLNLPVPQCTSGMSSEEFQHSMNQYIRAMHEQYRGSQDDDANDATDGNDISLELVGDFDSHHHHHH 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 |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:21:42)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/77b931530b25bb/tmp/folded.pdb (00:21:42)
[INFO] Main: Simulation completed successfully. (00:31:29)
|
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 | S | A | -0.4539 | |
| 2 | S | A | -0.4639 | |
| 3 | V | A | -0.2679 | |
| 4 | L | A | -0.4968 | |
| 5 | K | A | -1.6395 | |
| 6 | T | A | -1.0824 | |
| 7 | F | A | -0.8739 | |
| 8 | E | A | -1.7062 | |
| 9 | R | A | -2.3773 | |
| 10 | F | A | 0.0000 | |
| 11 | T | A | -1.3052 | |
| 12 | I | A | -1.0097 | |
| 13 | Q | A | -1.5942 | |
| 14 | Q | A | -1.2593 | |
| 15 | E | A | -0.8061 | |
| 16 | L | A | -0.3829 | |
| 17 | Q | A | -1.3632 | |
| 18 | E | A | -1.4192 | |
| 19 | Q | A | -1.7019 | |
| 20 | S | A | -2.0019 | |
| 21 | E | A | -2.8213 | |
| 22 | D | A | -2.5841 | |
| 23 | T | A | 0.0000 | |
| 24 | P | A | 0.0139 | |
| 25 | I | A | 1.1515 | |
| 26 | P | A | 0.5132 | |
| 27 | L | A | -0.3160 | |
| 28 | E | A | -1.8083 | |
| 29 | T | A | 0.0000 | |
| 30 | I | A | 0.0000 | |
| 31 | R | A | -2.4296 | |
| 32 | P | A | -1.2385 | |
| 33 | T | A | -0.9142 | |
| 34 | I | A | 0.0000 | |
| 35 | R | A | -0.7686 | |
| 36 | V | A | 0.0000 | |
| 37 | F | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | N | A | -2.3420 | |
| 41 | N | A | -2.6927 | |
| 42 | N | A | -2.4020 | |
| 43 | D | A | -2.1039 | |
| 44 | P | A | -1.5335 | |
| 45 | V | A | -0.2384 | |
| 46 | V | A | -0.3391 | |
| 47 | R | A | 0.0000 | |
| 48 | S | A | 0.0000 | |
| 49 | R | A | -0.1493 | |
| 50 | L | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | F | A | 0.0000 | |
| 53 | F | A | 0.0000 | |
| 54 | N | A | 0.0000 | |
| 55 | L | A | 0.0000 | |
| 56 | R | A | -0.9381 | |
| 57 | I | A | 0.0000 | |
| 58 | I | A | 0.0000 | |
| 59 | M | A | 0.0000 | |
| 60 | S | A | 0.0000 | |
| 61 | N | A | -1.9239 | |
| 62 | T | A | -1.2837 | |
| 63 | A | A | 0.0000 | |
| 64 | R | A | -2.3146 | |
| 65 | E | A | -2.5189 | |
| 66 | G | A | -1.5603 | |
| 67 | H | A | -1.3217 | |
| 68 | R | A | -1.3742 | |
| 69 | A | A | 0.0000 | |
| 70 | G | A | 0.0000 | |
| 71 | A | A | 0.0000 | |
| 72 | L | A | 0.0000 | |
| 73 | L | A | 0.0000 | |
| 74 | S | A | 0.0000 | |
| 75 | L | A | 0.0000 | |
| 76 | L | A | 0.0000 | |
| 77 | S | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | P | A | -0.2539 | |
| 80 | S | A | -0.3696 | |
| 81 | A | A | -0.8124 | |
| 82 | A | A | -1.0479 | |
| 83 | M | A | 0.0000 | |
| 84 | S | A | -1.4497 | |
| 85 | N | A | -1.8188 | |
| 86 | H | A | -1.1800 | |
| 87 | I | A | 0.0000 | |
| 88 | K | A | -1.9515 | |
| 89 | L | A | -0.7725 | |
| 90 | A | A | 0.0000 | |
| 91 | M | A | -0.4592 | |
| 92 | H | A | -0.5891 | |
| 93 | S | A | 0.0000 | |
| 94 | P | A | -0.9958 | |
| 95 | E | A | -1.1528 | |
| 96 | A | A | 0.0000 | |
| 97 | S | A | -0.8692 | |
| 98 | I | A | -0.7907 | |
| 99 | D | A | -0.8184 | |
| 100 | R | A | -1.2795 | |
| 101 | V | A | 0.0000 | |
| 102 | E | A | -1.0065 | |
| 103 | I | A | 0.0000 | |
| 104 | T | A | -0.5325 | |
| 105 | G | A | 0.0000 | |
| 106 | F | A | -0.7973 | |
| 107 | E | A | -1.9713 | |
| 108 | N | A | -2.4335 | |
| 109 | N | A | -2.4881 | |
| 110 | S | A | -1.7641 | |
| 111 | F | A | -1.0472 | |
| 112 | R | A | -1.0427 | |
| 113 | V | A | 0.0000 | |
| 114 | I | A | 0.0739 | |
| 115 | P | A | -0.4392 | |
| 116 | D | A | -0.7305 | |
| 117 | A | A | -0.9147 | |
| 118 | R | A | -1.9753 | |
| 119 | T | A | -1.1999 | |
| 120 | S | A | -0.8077 | |
| 121 | T | A | -0.7940 | |
| 122 | M | A | -0.7405 | |
| 123 | S | A | -1.3265 | |
| 124 | R | A | -2.1105 | |
| 125 | G | A | -1.5252 | |
| 126 | E | A | -1.2869 | |
| 127 | V | A | 0.0000 | |
| 128 | L | A | -0.3586 | |
| 129 | A | A | -0.5611 | |
| 130 | F | A | 0.0000 | |
| 131 | E | A | -0.8096 | |
| 132 | A | A | -0.7870 | |
| 133 | L | A | -1.0834 | |
| 134 | A | A | 0.0000 | |
| 135 | E | A | -2.4793 | |
| 136 | D | A | -2.2756 | |
| 137 | I | A | 0.0000 | |
| 138 | P | A | -1.8241 | |
| 139 | D | A | -1.7139 | |
| 140 | E | A | -1.8257 | |
| 141 | L | A | -0.8106 | |
| 142 | K | A | -2.0553 | |
| 143 | S | A | -1.4621 | |
| 144 | T | A | -1.2230 | |
| 145 | Q | A | -1.8752 | |
| 146 | N | A | -2.1026 | |
| 147 | A | A | -0.9073 | |
| 148 | I | A | 0.3430 | |
| 149 | D | A | -1.9150 | |
| 150 | K | A | -2.2409 | |
| 151 | I | A | 0.1186 | |
| 152 | T | A | -0.9497 | |
| 153 | N | A | -2.4701 | |
| 154 | K | A | -2.2087 | |
| 155 | V | A | -0.4353 | |
| 156 | N | A | -0.2808 | |
| 157 | S | A | 0.4802 | |
| 158 | V | A | 2.0979 | |
| 159 | I | A | 2.1972 | |
| 160 | E | A | 0.2290 | |
| 161 | L | A | 1.0105 | |
| 162 | T | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | N | A | -1.6324 | |
| 165 | H | A | -1.7178 | |
| 166 | Q | A | -1.9875 | |
| 167 | T | A | -0.9763 | |
| 168 | P | A | 0.0000 | |
| 169 | F | A | 0.0000 | |
| 170 | V | A | 0.5937 | |
| 171 | N | A | -0.3126 | |
| 172 | L | A | -0.5697 | |
| 173 | Q | A | -1.4083 | |
| 174 | N | A | -1.9562 | |
| 175 | D | A | -2.4567 | |
| 176 | V | A | 0.0000 | |
| 177 | E | A | -1.4560 | |
| 178 | D | A | -2.2639 | |
| 179 | D | A | -0.8437 | |
| 180 | I | A | 0.6471 | |
| 181 | F | A | 0.0000 | |
| 182 | D | A | -2.2466 | |
| 183 | E | A | -2.8723 | |
| 184 | T | A | -2.5003 | |
| 185 | E | A | -2.9514 | |
| 186 | K | A | -2.2990 | |
| 187 | F | A | 0.0000 | |
| 188 | L | A | -1.1851 | |
| 189 | D | A | -1.5438 | |
| 190 | V | A | 0.0000 | |
| 191 | C | A | 0.0000 | |
| 192 | Y | A | 0.0000 | |
| 193 | S | A | 0.0000 | |
| 194 | V | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | M | A | 0.0000 | |
| 197 | Q | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | W | A | 0.0000 | |
| 200 | I | A | 0.0000 | |
| 201 | V | A | 0.0000 | |
| 202 | T | A | 0.0000 | |
| 203 | C | A | -0.2406 | |
| 204 | K | A | -0.6039 | |
| 205 | C | A | 0.0000 | |
| 206 | M | A | -0.5273 | |
| 207 | T | A | -0.6380 | |
| 208 | A | A | -1.2026 | |
| 209 | P | A | -1.3478 | |
| 210 | D | A | -2.3053 | |
| 211 | Q | A | -1.6519 | |
| 212 | P | A | -0.4533 | |
| 213 | P | A | -0.2646 | |
| 214 | V | A | 0.4343 | |
| 215 | S | A | -0.3411 | |
| 216 | V | A | -0.1615 | |
| 217 | A | A | -0.4556 | |
| 218 | K | A | -1.5249 | |
| 219 | R | A | 0.0000 | |
| 220 | M | A | 0.0000 | |
| 221 | A | A | -1.2059 | |
| 222 | K | A | -1.5874 | |
| 223 | Y | A | 0.0000 | |
| 224 | Q | A | -1.5807 | |
| 225 | Q | A | -1.5131 | |
| 226 | Q | A | -1.8579 | |
| 227 | G | A | -1.7760 | |
| 228 | R | A | -1.9515 | |
| 229 | I | A | 0.0000 | |
| 230 | N | A | -0.8124 | |
| 231 | A | A | -0.0839 | |
| 232 | C | A | 0.5250 | |
| 233 | R | A | -0.2230 | |
| 234 | Y | A | 0.0000 | |
| 235 | V | A | 0.3956 | |
| 236 | L | A | 0.0000 | |
| 237 | Q | A | 0.0000 | |
| 238 | P | A | -0.1478 | |
| 239 | E | A | -0.6018 | |
| 240 | A | A | 0.0000 | |
| 241 | Q | A | -0.6875 | |
| 242 | R | A | -0.9250 | |
| 243 | L | A | -0.4012 | |
| 244 | I | A | 0.0000 | |
| 245 | Q | A | -0.9255 | |
| 246 | N | A | -1.2494 | |
| 247 | A | A | 0.0000 | |
| 248 | I | A | 0.0000 | |
| 249 | R | A | -1.0110 | |
| 250 | K | A | -1.5865 | |
| 251 | S | A | 0.0000 | |
| 252 | M | A | 0.0000 | |
| 253 | V | A | 0.0000 | |
| 254 | V | A | 0.0000 | |
| 255 | R | A | 0.0000 | |
| 256 | H | A | 0.0000 | |
| 257 | F | A | 0.0000 | |
| 258 | M | A | 0.0000 | |
| 259 | T | A | 0.0000 | |
| 260 | Y | A | 0.3743 | |
| 261 | E | A | 0.0000 | |
| 262 | L | A | 0.0000 | |
| 263 | Q | A | -0.0841 | |
| 264 | L | A | 0.1427 | |
| 265 | S | A | -0.5113 | |
| 266 | Q | A | -0.9708 | |
| 267 | S | A | -0.8312 | |
| 268 | R | A | -1.4527 | |
| 269 | S | A | -0.0721 | |
| 270 | L | A | 1.5278 | |
| 271 | L | A | 1.4892 | |
| 272 | A | A | -0.0652 | |
| 273 | N | A | -1.5502 | |
| 274 | R | A | -2.2581 | |
| 275 | Y | A | 0.0000 | |
| 276 | Y | A | -0.6641 | |
| 277 | A | A | -0.6513 | |
| 278 | M | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | G | A | -0.7912 | |
| 281 | D | A | -0.8108 | |
| 282 | I | A | 0.0000 | |
| 283 | G | A | 0.0000 | |
| 284 | K | A | -1.4456 | |
| 285 | Y | A | 0.0000 | |
| 286 | I | A | 0.0000 | |
| 287 | E | A | -0.8776 | |
| 288 | H | A | -0.7101 | |
| 289 | S | A | -0.8554 | |
| 290 | G | A | -0.6050 | |
| 291 | M | A | 0.0000 | |
| 292 | G | A | -0.2117 | |
| 293 | G | A | 0.0000 | |
| 294 | F | A | 0.0000 | |
| 295 | F | A | 0.1694 | |
| 296 | L | A | 0.0000 | |
| 297 | T | A | 0.0000 | |
| 298 | L | A | -0.5519 | |
| 299 | K | A | -1.7046 | |
| 300 | Y | A | 0.0000 | |
| 301 | G | A | 0.0000 | |
| 302 | L | A | -0.7571 | |
| 303 | G | A | -1.3456 | |
| 304 | T | A | -1.2033 | |
| 305 | R | A | -1.7713 | |
| 306 | W | A | -0.7373 | |
| 307 | P | A | -1.0489 | |
| 308 | T | A | 0.0000 | |
| 309 | L | A | 0.0000 | |
| 310 | A | A | 0.0000 | |
| 311 | L | A | 0.0000 | |
| 312 | A | A | 0.0000 | |
| 313 | A | A | 0.0000 | |
| 314 | F | A | 0.0000 | |
| 315 | S | A | 0.0000 | |
| 316 | G | A | -0.4004 | |
| 317 | E | A | 0.0000 | |
| 318 | L | A | -0.2115 | |
| 319 | Q | A | -0.7133 | |
| 320 | K | A | -0.6716 | |
| 321 | L | A | 0.0000 | |
| 322 | K | A | -0.6601 | |
| 323 | A | A | 0.0000 | |
| 324 | L | A | 0.0000 | |
| 325 | M | A | 0.1978 | |
| 326 | L | A | 0.3803 | |
| 327 | H | A | 0.0000 | |
| 328 | Y | A | -0.1970 | |
| 329 | Q | A | -0.8683 | |
| 330 | S | A | -0.5058 | |
| 331 | L | A | 0.0000 | |
| 332 | G | A | -0.5840 | |
| 333 | P | A | -0.6061 | |
| 334 | M | A | -0.2418 | |
| 335 | A | A | 0.0000 | |
| 336 | K | A | -0.8130 | |
| 337 | Y | A | 0.0000 | |
| 338 | M | A | 0.0000 | |
| 339 | A | A | 0.0000 | |
| 340 | L | A | 0.0000 | |
| 341 | L | A | 0.0000 | |
| 342 | E | A | -0.1709 | |
| 343 | S | A | 0.0000 | |
| 344 | P | A | 0.0000 | |
| 345 | K | A | 0.0000 | |
| 346 | L | A | 0.1810 | |
| 347 | M | A | 0.1432 | |
| 348 | D | A | -0.2198 | |
| 349 | F | A | 0.0000 | |
| 350 | V | A | 0.0837 | |
| 351 | P | A | -0.1093 | |
| 352 | S | A | -0.8985 | |
| 353 | E | A | -0.8603 | |
| 354 | Y | A | 0.0000 | |
| 355 | P | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | V | A | 0.0000 | |
| 358 | Y | A | 0.0000 | |
| 359 | S | A | 0.0000 | |
| 360 | Y | A | 0.0000 | |
| 361 | A | A | 0.0000 | |
| 362 | M | A | 0.0000 | |
| 363 | G | A | 0.0000 | |
| 364 | I | A | 0.0000 | |
| 365 | G | A | 0.0000 | |
| 366 | T | A | 0.0000 | |
| 367 | V | A | -0.3448 | |
| 368 | L | A | -0.0178 | |
| 369 | D | A | -0.8403 | |
| 370 | T | A | -1.2677 | |
| 371 | N | A | -2.4908 | |
| 372 | M | A | 0.0000 | |
| 373 | R | A | -2.4000 | |
| 374 | N | A | -2.7334 | |
| 375 | Y | A | 0.0000 | |
| 376 | A | A | 0.0000 | |
| 377 | Y | A | -0.1432 | |
| 378 | G | A | -0.0654 | |
| 379 | R | A | -0.8458 | |
| 380 | S | A | -0.7991 | |
| 381 | Y | A | 0.0000 | |
| 382 | L | A | 0.0000 | |
| 383 | N | A | 0.0000 | |
| 384 | P | A | -0.1558 | |
| 385 | Q | A | -0.6381 | |
| 386 | Y | A | 0.0000 | |
| 387 | F | A | 0.0000 | |
| 388 | Q | A | -0.8360 | |
| 389 | L | A | 0.0000 | |
| 390 | G | A | 0.0000 | |
| 391 | V | A | 0.0000 | |
| 392 | E | A | -1.9356 | |
| 393 | T | A | 0.0000 | |
| 394 | A | A | 0.0000 | |
| 395 | R | A | -2.9975 | |
| 396 | K | A | -3.1991 | |
| 397 | Q | A | -2.0432 | |
| 398 | Q | A | -1.4757 | |
| 399 | G | A | 0.0000 | |
| 400 | A | A | -0.9639 | |
| 401 | V | A | -1.3545 | |
| 402 | D | A | -2.5667 | |
| 403 | N | A | -3.0532 | |
| 404 | R | A | -3.6539 | |
| 405 | T | A | -2.4984 | |
| 406 | A | A | 0.0000 | |
| 407 | E | A | -3.4819 | |
| 408 | D | A | -2.8325 | |
| 409 | L | A | -0.6899 | |
| 410 | G | A | -1.4079 | |
| 411 | M | A | -1.1721 | |
| 412 | T | A | -0.8359 | |
| 413 | A | A | -0.8030 | |
| 414 | A | A | -0.8523 | |
| 415 | D | A | -1.4976 | |
| 416 | K | A | -1.2798 | |
| 417 | A | A | -0.9915 | |
| 418 | D | A | -1.8242 | |
| 419 | L | A | -0.7439 | |
| 420 | T | A | -0.8489 | |
| 421 | A | A | -0.8239 | |
| 422 | T | A | -0.2765 | |
| 423 | I | A | -0.2377 | |
| 424 | S | A | -0.7021 | |
| 425 | K | A | -0.4203 | |
| 426 | L | A | 0.8188 | |
| 427 | S | A | 0.1244 | |
| 428 | L | A | 1.3335 | |
| 429 | S | A | 0.4055 | |
| 430 | Q | A | -0.5804 | |
| 431 | L | A | 0.3334 | |
| 432 | P | A | -1.2924 | |
| 433 | R | A | -2.6934 | |
| 434 | G | A | -2.5131 | |
| 435 | R | A | -2.9195 | |
| 436 | Q | A | -2.3679 | |
| 437 | P | A | -1.1213 | |
| 438 | I | A | -0.2590 | |
| 439 | S | A | -0.3804 | |
| 440 | D | A | -0.2068 | |
| 441 | P | A | 0.3701 | |
| 442 | F | A | 1.2464 | |
| 443 | A | A | -0.0590 | |
| 444 | G | A | -0.7818 | |
| 445 | A | A | -1.4655 | |
| 446 | N | A | -3.0184 | |
| 447 | D | A | -3.8940 | |
| 448 | R | A | -3.9773 | |
| 449 | E | A | -3.6480 | |
| 450 | T | A | -2.2949 | |
| 451 | G | A | -1.7654 | |
| 452 | G | A | -1.4784 | |
| 453 | Q | A | -1.7844 | |
| 454 | A | A | -1.2279 | |
| 455 | T | A | -1.3767 | |
| 456 | D | A | -1.7505 | |
| 457 | T | A | -0.4706 | |
| 458 | P | A | 0.1771 | |
| 459 | V | A | 1.8156 | |
| 460 | Y | A | 1.8763 | |
| 461 | N | A | 0.6091 | |
| 462 | F | A | 1.5869 | |
| 463 | N | A | -0.3924 | |
| 464 | S | A | -0.2645 | |
| 465 | L | A | 0.1146 | |
| 466 | N | A | -2.0954 | |
| 467 | N | A | -2.7848 | |
| 468 | R | A | -3.3840 | |
| 469 | R | A | -3.3154 | |
| 470 | Y | A | -1.1976 | |
| 471 | D | A | -2.3682 | |
| 472 | N | A | -2.1269 | |
| 473 | Y | A | -1.1021 | |
| 474 | D | A | -2.6873 | |
| 475 | S | A | -2.2078 | |
| 476 | D | A | -3.1462 | |
| 477 | S | A | -2.7666 | |
| 478 | E | A | -3.6060 | |
| 479 | D | A | -3.2771 | |
| 480 | R | A | -2.5849 | |
| 481 | I | A | -1.5480 | |
| 482 | D | A | -1.9978 | |
| 483 | N | A | -1.5426 | |
| 484 | D | A | -1.2622 | |
| 485 | Q | A | -1.3114 | |
| 486 | D | A | -1.2914 | |
| 487 | Q | A | -1.2143 | |
| 488 | A | A | -1.3879 | |
| 489 | I | A | -0.5418 | |
| 490 | R | A | -3.1259 | |
| 491 | E | A | -3.9177 | |
| 492 | N | A | -3.6392 | |
| 493 | R | A | -4.0799 | |
| 494 | G | A | -3.3366 | |
| 495 | E | A | -3.4093 | |
| 496 | P | A | -2.3287 | |
| 497 | G | A | -2.3359 | |
| 498 | Q | A | -2.5861 | |
| 499 | P | A | -2.3365 | |
| 500 | N | A | -2.9615 | |
| 501 | N | A | -2.8634 | |
| 502 | Q | A | -2.6612 | |
| 503 | T | A | -2.1919 | |
| 504 | S | A | -2.2513 | |
| 505 | E | A | -3.2259 | |
| 506 | N | A | -3.4909 | |
| 507 | Q | A | -3.2796 | |
| 508 | Q | A | -3.0848 | |
| 509 | R | A | -2.6031 | |
| 510 | L | A | -0.3982 | |
| 511 | N | A | -1.2418 | |
| 512 | L | A | 0.1820 | |
| 513 | P | A | -0.2918 | |
| 514 | V | A | -0.0050 | |
| 515 | P | A | -0.4378 | |
| 516 | Q | A | -1.5027 | |
| 517 | C | A | 0.0000 | |
| 518 | T | A | -0.8157 | |
| 519 | S | A | -0.7762 | |
| 520 | G | A | -0.6772 | |
| 521 | M | A | -1.0361 | |
| 522 | S | A | -1.3729 | |
| 523 | S | A | -1.9619 | |
| 524 | E | A | -3.2146 | |
| 525 | E | A | -3.1951 | |
| 526 | F | A | 0.0000 | |
| 527 | Q | A | -2.3026 | |
| 528 | H | A | -2.6507 | |
| 529 | S | A | -2.1117 | |
| 530 | M | A | 0.0000 | |
| 531 | N | A | -1.8230 | |
| 532 | Q | A | -2.4824 | |
| 533 | Y | A | -1.3996 | |
| 534 | I | A | 0.0000 | |
| 535 | R | A | -3.2947 | |
| 536 | A | A | -2.4974 | |
| 537 | M | A | 0.0000 | |
| 538 | H | A | -2.7980 | |
| 539 | E | A | -3.9732 | |
| 540 | Q | A | -3.0730 | |
| 541 | Y | A | -2.1112 | |
| 542 | R | A | -3.8505 | |
| 543 | G | A | -3.6866 | |
| 544 | S | A | -2.5969 | |
| 545 | Q | A | -3.2541 | |
| 546 | D | A | -3.6349 | |
| 547 | D | A | -4.1550 | |
| 548 | D | A | -3.3691 | |
| 549 | A | A | -2.4719 | |
| 550 | N | A | -3.2636 | |
| 551 | D | A | -3.5683 | |
| 552 | A | A | -2.3975 | |
| 553 | T | A | -2.0158 | |
| 554 | D | A | -3.0504 | |
| 555 | G | A | -2.1013 | |
| 556 | N | A | -2.2935 | |
| 557 | D | A | -1.6096 | |
| 558 | I | A | 0.7776 | |
| 559 | S | A | 0.3799 | |
| 560 | L | A | 1.4521 | |
| 561 | E | A | 0.1291 | |
| 562 | L | A | 1.7940 | |
| 563 | V | A | 1.8574 | |
| 564 | G | A | -0.1237 | |
| 565 | D | A | -1.2803 | |
| 566 | F | A | 0.2974 | |
| 567 | D | A | -1.6960 | |
| 568 | S | A | -1.6393 | |
| 569 | H | A | -2.1466 | |
| 570 | H | A | -2.2231 | |
| 571 | H | A | -2.4043 | |
| 572 | H | A | -2.4013 | |
| 573 | H | A | -2.2036 | |
| 574 | H | A | -1.6737 | |
| 1 | S | B | 0.0902 | |
| 2 | S | B | 0.7006 | |
| 3 | V | B | 1.9804 | |
| 4 | L | B | 1.4624 | |
| 5 | K | B | -0.0640 | |
| 6 | T | B | 0.4209 | |
| 7 | F | B | 0.8949 | |
| 8 | E | B | -0.3662 | |
| 9 | R | B | -1.1555 | |
| 10 | F | B | 0.4630 | |
| 11 | T | B | 0.0000 | |
| 12 | I | B | -0.7877 | |
| 13 | Q | B | -1.9951 | |
| 14 | Q | B | -2.2213 | |
| 15 | E | B | -1.8110 | |
| 16 | L | B | -1.6012 | |
| 17 | Q | B | -2.9175 | |
| 18 | E | B | -3.5221 | |
| 19 | Q | B | -2.7409 | |
| 20 | S | B | -2.8690 | |
| 21 | E | B | -3.0965 | |
| 22 | D | B | -2.7517 | |
| 23 | T | B | -1.6901 | |
| 24 | P | B | 0.1140 | |
| 25 | I | B | 1.3444 | |
| 26 | P | B | 0.8774 | |
| 27 | L | B | 1.2213 | |
| 28 | E | B | -0.8706 | |
| 29 | T | B | -0.3583 | |
| 30 | I | B | 0.5003 | |
| 31 | R | B | -1.6401 | |
| 32 | P | B | -0.9953 | |
| 33 | T | B | -0.9508 | |
| 34 | I | B | 0.0000 | |
| 35 | R | B | -1.0601 | |
| 36 | V | B | 0.0000 | |
| 37 | F | B | 0.0000 | |
| 38 | V | B | 0.0000 | |
| 39 | I | B | 0.0000 | |
| 40 | N | B | -2.3195 | |
| 41 | N | B | -2.6439 | |
| 42 | N | B | -2.4560 | |
| 43 | D | B | -2.1181 | |
| 44 | P | B | -1.3463 | |
| 45 | V | B | -0.5731 | |
| 46 | V | B | 0.0000 | |
| 47 | R | B | 0.0000 | |
| 48 | S | B | 0.0000 | |
| 49 | R | B | -0.6038 | |
| 50 | L | B | 0.0000 | |
| 51 | L | B | 0.0000 | |
| 52 | F | B | 0.0000 | |
| 53 | F | B | 0.0000 | |
| 54 | N | B | 0.0000 | |
| 55 | L | B | 0.0000 | |
| 56 | R | B | -0.9858 | |
| 57 | I | B | 0.0000 | |
| 58 | I | B | 0.0000 | |
| 59 | M | B | 0.0000 | |
| 60 | S | B | 0.0000 | |
| 61 | N | B | -2.0542 | |
| 62 | T | B | -1.5563 | |
| 63 | A | B | 0.0000 | |
| 64 | R | B | -3.1589 | |
| 65 | E | B | -3.3754 | |
| 66 | G | B | -2.2315 | |
| 67 | H | B | -1.7869 | |
| 68 | R | B | -1.8546 | |
| 69 | A | B | 0.0000 | |
| 70 | G | B | 0.0000 | |
| 71 | A | B | 0.0000 | |
| 72 | L | B | 0.0000 | |
| 73 | L | B | 0.0000 | |
| 74 | S | B | 0.0000 | |
| 75 | L | B | 0.0000 | |
| 76 | L | B | 0.0000 | |
| 77 | S | B | 0.0000 | |
| 78 | L | B | 0.0000 | |
| 79 | P | B | 0.0000 | |
| 80 | S | B | 0.0000 | |
| 81 | A | B | -1.4861 | |
| 82 | A | B | -1.1245 | |
| 83 | M | B | 0.0000 | |
| 84 | S | B | -1.1979 | |
| 85 | N | B | -1.0621 | |
| 86 | H | B | 0.0000 | |
| 87 | I | B | 0.0000 | |
| 88 | K | B | -1.5318 | |
| 89 | L | B | -0.6208 | |
| 90 | A | B | 0.0000 | |
| 91 | M | B | -0.6749 | |
| 92 | H | B | -1.1514 | |
| 93 | S | B | 0.0000 | |
| 94 | P | B | -1.2835 | |
| 95 | E | B | -1.7086 | |
| 96 | A | B | 0.0000 | |
| 97 | S | B | -1.0340 | |
| 98 | I | B | 0.0000 | |
| 99 | D | B | -1.2532 | |
| 100 | R | B | -1.9224 | |
| 101 | V | B | 0.0000 | |
| 102 | E | B | -1.2587 | |
| 103 | I | B | 0.0000 | |
| 104 | T | B | -0.5510 | |
| 105 | G | B | 0.0000 | |
| 106 | F | B | -0.8978 | |
| 107 | E | B | -1.8954 | |
| 108 | N | B | -2.3840 | |
| 109 | N | B | -2.4868 | |
| 110 | S | B | -1.7484 | |
| 111 | F | B | -1.0547 | |
| 112 | R | B | -0.9280 | |
| 113 | V | B | 0.0000 | |
| 114 | I | B | 0.0699 | |
| 115 | P | B | -0.4642 | |
| 116 | D | B | -0.7798 | |
| 117 | A | B | -0.9492 | |
| 118 | R | B | -1.9906 | |
| 119 | T | B | -1.2964 | |
| 120 | S | B | -0.9304 | |
| 121 | T | B | -0.9242 | |
| 122 | M | B | -0.7420 | |
| 123 | S | B | -1.3072 | |
| 124 | R | B | -2.0922 | |
| 125 | G | B | -1.4948 | |
| 126 | E | B | -1.2346 | |
| 127 | V | B | 0.0000 | |
| 128 | L | B | -0.3670 | |
| 129 | A | B | -0.4054 | |
| 130 | F | B | 0.0000 | |
| 131 | E | B | -0.8253 | |
| 132 | A | B | -0.8320 | |
| 133 | L | B | 0.0000 | |
| 134 | A | B | 0.0000 | |
| 135 | E | B | -2.5207 | |
| 136 | D | B | -2.2903 | |
| 137 | I | B | 0.0000 | |
| 138 | P | B | -1.9925 | |
| 139 | D | B | -2.0238 | |
| 140 | E | B | -2.4793 | |
| 141 | L | B | -1.0864 | |
| 142 | K | B | -2.3004 | |
| 143 | S | B | -2.1616 | |
| 144 | T | B | -1.4743 | |
| 145 | Q | B | -2.2389 | |
| 146 | N | B | -2.1892 | |
| 147 | A | B | -0.9720 | |
| 148 | I | B | 0.4162 | |
| 149 | D | B | -1.9544 | |
| 150 | K | B | -2.2226 | |
| 151 | I | B | 0.4503 | |
| 152 | T | B | -0.7313 | |
| 153 | N | B | -2.1104 | |
| 154 | K | B | -1.5348 | |
| 155 | V | B | 0.5437 | |
| 156 | N | B | -0.2149 | |
| 157 | S | B | 0.5195 | |
| 158 | V | B | 2.0744 | |
| 159 | I | B | 2.0903 | |
| 160 | E | B | 0.0143 | |
| 161 | L | B | 0.6490 | |
| 162 | T | B | -0.9637 | |
| 163 | L | B | 0.0000 | |
| 164 | N | B | -1.3709 | |
| 165 | H | B | -1.7642 | |
| 166 | Q | B | -1.9590 | |
| 167 | T | B | -0.9656 | |
| 168 | P | B | 0.0000 | |
| 169 | F | B | 0.0000 | |
| 170 | V | B | 0.4825 | |
| 171 | N | B | -0.5718 | |
| 172 | L | B | -0.7888 | |
| 173 | Q | B | -1.5753 | |
| 174 | N | B | -2.3808 | |
| 175 | D | B | -3.0389 | |
| 176 | V | B | 0.0000 | |
| 177 | E | B | -1.9959 | |
| 178 | D | B | -2.9137 | |
| 179 | D | B | -1.9257 | |
| 180 | I | B | 0.1831 | |
| 181 | F | B | 0.0000 | |
| 182 | D | B | -1.8407 | |
| 183 | E | B | -1.6457 | |
| 184 | T | B | -1.7618 | |
| 185 | E | B | -2.1393 | |
| 186 | K | B | -1.8519 | |
| 187 | F | B | 0.0000 | |
| 188 | L | B | -0.8101 | |
| 189 | D | B | -1.3142 | |
| 190 | V | B | 0.0000 | |
| 191 | C | B | 0.0000 | |
| 192 | Y | B | 0.0000 | |
| 193 | S | B | 0.0000 | |
| 194 | V | B | 0.0000 | |
| 195 | L | B | 0.0000 | |
| 196 | M | B | 0.0000 | |
| 197 | Q | B | 0.0000 | |
| 198 | A | B | 0.0000 | |
| 199 | W | B | 0.0000 | |
| 200 | I | B | 0.0000 | |
| 201 | V | B | 0.0000 | |
| 202 | T | B | 0.0000 | |
| 203 | C | B | 0.0000 | |
| 204 | K | B | 0.0000 | |
| 205 | C | B | 0.0000 | |
| 206 | M | B | -0.6301 | |
| 207 | T | B | -0.7015 | |
| 208 | A | B | -1.2618 | |
| 209 | P | B | -1.2555 | |
| 210 | D | B | -1.9782 | |
| 211 | Q | B | -1.2688 | |
| 212 | P | B | -0.2667 | |
| 213 | P | B | 0.1038 | |
| 214 | V | B | 1.2769 | |
| 215 | S | B | 0.1828 | |
| 216 | V | B | 0.2459 | |
| 217 | A | B | 0.0318 | |
| 218 | K | B | -0.9171 | |
| 219 | R | B | 0.0000 | |
| 220 | M | B | 0.0000 | |
| 221 | A | B | -0.9633 | |
| 222 | K | B | -1.3588 | |
| 223 | Y | B | 0.0000 | |
| 224 | Q | B | -1.5024 | |
| 225 | Q | B | -1.7666 | |
| 226 | Q | B | -1.6221 | |
| 227 | G | B | -1.6627 | |
| 228 | R | B | -1.2810 | |
| 229 | I | B | 0.0000 | |
| 230 | N | B | -1.0408 | |
| 231 | A | B | -0.4112 | |
| 232 | C | B | 0.0120 | |
| 233 | R | B | -1.0688 | |
| 234 | Y | B | 0.0000 | |
| 235 | V | B | 0.1643 | |
| 236 | L | B | 0.0000 | |
| 237 | Q | B | 0.0000 | |
| 238 | P | B | -0.1850 | |
| 239 | E | B | -0.5494 | |
| 240 | A | B | 0.0000 | |
| 241 | Q | B | -0.5789 | |
| 242 | R | B | -0.7560 | |
| 243 | L | B | -0.3072 | |
| 244 | I | B | 0.0000 | |
| 245 | Q | B | 0.0000 | |
| 246 | N | B | -1.4547 | |
| 247 | A | B | 0.0000 | |
| 248 | I | B | 0.0000 | |
| 249 | R | B | -1.8517 | |
| 250 | K | B | -2.5567 | |
| 251 | S | B | 0.0000 | |
| 252 | M | B | -0.9015 | |
| 253 | V | B | 0.0000 | |
| 254 | V | B | 0.0000 | |
| 255 | R | B | 0.0000 | |
| 256 | H | B | -0.2403 | |
| 257 | F | B | 0.0000 | |
| 258 | M | B | 0.0000 | |
| 259 | T | B | 0.0000 | |
| 260 | Y | B | 0.2814 | |
| 261 | E | B | 0.0000 | |
| 262 | L | B | 0.0000 | |
| 263 | Q | B | -0.1060 | |
| 264 | L | B | 0.0000 | |
| 265 | S | B | 0.0000 | |
| 266 | Q | B | -0.5805 | |
| 267 | S | B | 0.0000 | |
| 268 | R | B | -1.2391 | |
| 269 | S | B | -0.0865 | |
| 270 | L | B | -0.0268 | |
| 271 | L | B | -0.0334 | |
| 272 | A | B | -0.1732 | |
| 273 | N | B | 0.0000 | |
| 274 | R | B | -0.5313 | |
| 275 | Y | B | 0.0000 | |
| 276 | Y | B | 0.0000 | |
| 277 | A | B | 0.0000 | |
| 278 | M | B | 0.0000 | |
| 279 | V | B | 0.0000 | |
| 280 | G | B | 0.0000 | |
| 281 | D | B | -0.1857 | |
| 282 | I | B | 0.0000 | |
| 283 | G | B | 0.0000 | |
| 284 | K | B | -0.3542 | |
| 285 | Y | B | -0.4125 | |
| 286 | I | B | 0.0000 | |
| 287 | E | B | 0.0000 | |
| 288 | H | B | -0.3762 | |
| 289 | S | B | -0.4987 | |
| 290 | G | B | -0.4711 | |
| 291 | M | B | 0.0000 | |
| 292 | G | B | -0.1887 | |
| 293 | G | B | -0.0103 | |
| 294 | F | B | 0.0000 | |
| 295 | F | B | 0.0903 | |
| 296 | L | B | 0.0000 | |
| 297 | T | B | 0.0000 | |
| 298 | L | B | 0.0000 | |
| 299 | K | B | -0.3839 | |
| 300 | Y | B | 0.0000 | |
| 301 | G | B | 0.0000 | |
| 302 | L | B | 0.0000 | |
| 303 | G | B | 0.0000 | |
| 304 | T | B | 0.0000 | |
| 305 | R | B | -0.4573 | |
| 306 | W | B | 0.0000 | |
| 307 | P | B | -0.1715 | |
| 308 | T | B | 0.1592 | |
| 309 | L | B | 0.2705 | |
| 310 | A | B | 0.3716 | |
| 311 | L | B | 0.7412 | |
| 312 | A | B | 0.3749 | |
| 313 | A | B | 0.2716 | |
| 314 | F | B | 0.0000 | |
| 315 | S | B | 0.0299 | |
| 316 | G | B | -0.1931 | |
| 317 | E | B | -0.5562 | |
| 318 | L | B | -0.1275 | |
| 319 | Q | B | -0.2609 | |
| 320 | K | B | -0.8176 | |
| 321 | L | B | 0.0000 | |
| 322 | K | B | 0.0000 | |
| 323 | A | B | 0.0000 | |
| 324 | L | B | 0.0000 | |
| 325 | M | B | 0.0000 | |
| 326 | L | B | 0.1689 | |
| 327 | H | B | 0.0000 | |
| 328 | Y | B | 0.0000 | |
| 329 | Q | B | -0.6438 | |
| 330 | S | B | -0.5951 | |
| 331 | L | B | -0.3852 | |
| 332 | G | B | -0.4399 | |
| 333 | P | B | -0.4272 | |
| 334 | M | B | 0.1184 | |
| 335 | A | B | 0.0000 | |
| 336 | K | B | -0.4487 | |
| 337 | Y | B | 0.0000 | |
| 338 | M | B | 0.0000 | |
| 339 | A | B | 0.0000 | |
| 340 | L | B | 0.0000 | |
| 341 | L | B | -0.7274 | |
| 342 | E | B | -1.6109 | |
| 343 | S | B | 0.0000 | |
| 344 | P | B | -0.7055 | |
| 345 | K | B | -0.8692 | |
| 346 | L | B | -0.2204 | |
| 347 | M | B | 0.1748 | |
| 348 | D | B | -0.7735 | |
| 349 | F | B | 0.0000 | |
| 350 | V | B | 0.0129 | |
| 351 | P | B | 0.0000 | |
| 352 | S | B | -0.6179 | |
| 353 | E | B | -1.2702 | |
| 354 | Y | B | 0.0000 | |
| 355 | P | B | -0.3630 | |
| 356 | L | B | -0.2004 | |
| 357 | V | B | 0.0000 | |
| 358 | Y | B | 0.0000 | |
| 359 | S | B | 0.0000 | |
| 360 | Y | B | 0.0000 | |
| 361 | A | B | 0.0000 | |
| 362 | M | B | 0.0000 | |
| 363 | G | B | 0.0000 | |
| 364 | I | B | 0.0000 | |
| 365 | G | B | 0.0000 | |
| 366 | T | B | 0.0000 | |
| 367 | V | B | -0.4644 | |
| 368 | L | B | 0.0000 | |
| 369 | D | B | -0.6845 | |
| 370 | T | B | -0.9976 | |
| 371 | N | B | -1.6001 | |
| 372 | M | B | 0.0000 | |
| 373 | R | B | -2.1550 | |
| 374 | N | B | -2.2670 | |
| 375 | Y | B | 0.0000 | |
| 376 | A | B | -0.9118 | |
| 377 | Y | B | -0.1771 | |
| 378 | G | B | -0.2803 | |
| 379 | R | B | -0.2594 | |
| 380 | S | B | -0.0823 | |
| 381 | Y | B | -0.2499 | |
| 382 | L | B | 0.0000 | |
| 383 | N | B | -0.8256 | |
| 384 | P | B | -0.9316 | |
| 385 | Q | B | -1.4413 | |
| 386 | Y | B | -0.8010 | |
| 387 | F | B | 0.0000 | |
| 388 | Q | B | -1.4353 | |
| 389 | L | B | -0.8731 | |
| 390 | G | B | 0.0000 | |
| 391 | V | B | 0.0000 | |
| 392 | E | B | -2.2477 | |
| 393 | T | B | 0.0000 | |
| 394 | A | B | 0.0000 | |
| 395 | R | B | -2.6694 | |
| 396 | K | B | -2.8763 | |
| 397 | Q | B | -1.7075 | |
| 398 | Q | B | 0.0000 | |
| 399 | G | B | 0.0000 | |
| 400 | A | B | -0.7415 | |
| 401 | V | B | -0.7978 | |
| 402 | D | B | 0.0000 | |
| 403 | N | B | -2.9869 | |
| 404 | R | B | -3.5285 | |
| 405 | T | B | 0.0000 | |
| 406 | A | B | 0.0000 | |
| 407 | E | B | -3.6860 | |
| 408 | D | B | -3.3234 | |
| 409 | L | B | -2.5172 | |
| 410 | G | B | -2.4784 | |
| 411 | M | B | -1.5084 | |
| 412 | T | B | -0.7677 | |
| 413 | A | B | -0.5204 | |
| 414 | A | B | -0.7955 | |
| 415 | D | B | -1.3652 | |
| 416 | K | B | -1.3548 | |
| 417 | A | B | -1.1957 | |
| 418 | D | B | -2.2772 | |
| 419 | L | B | 0.0000 | |
| 420 | T | B | -1.2858 | |
| 421 | A | B | -1.2676 | |
| 422 | T | B | 0.0000 | |
| 423 | I | B | 0.0000 | |
| 424 | S | B | -1.2392 | |
| 425 | K | B | -1.3433 | |
| 426 | L | B | 0.0000 | |
| 427 | S | B | -0.2696 | |
| 428 | L | B | 1.0981 | |
| 429 | S | B | 0.3079 | |
| 430 | Q | B | -0.1081 | |
| 431 | L | B | 0.7046 | |
| 432 | P | B | -0.7916 | |
| 433 | R | B | -2.5645 | |
| 434 | G | B | -2.5240 | |
| 435 | R | B | -2.9812 | |
| 436 | Q | B | -2.5306 | |
| 437 | P | B | -1.4576 | |
| 438 | I | B | -0.7880 | |
| 439 | S | B | -0.8294 | |
| 440 | D | B | -0.7836 | |
| 441 | P | B | -0.1357 | |
| 442 | F | B | 0.3335 | |
| 443 | A | B | -0.6005 | |
| 444 | G | B | -1.0377 | |
| 445 | A | B | -1.6230 | |
| 446 | N | B | -3.0630 | |
| 447 | D | B | -3.9640 | |
| 448 | R | B | -3.9948 | |
| 449 | E | B | -3.7406 | |
| 450 | T | B | -2.3584 | |
| 451 | G | B | -1.8397 | |
| 452 | G | B | -1.5093 | |
| 453 | Q | B | -1.8158 | |
| 454 | A | B | -1.2594 | |
| 455 | T | B | -1.4082 | |
| 456 | D | B | -1.7579 | |
| 457 | T | B | -0.4309 | |
| 458 | P | B | 0.1581 | |
| 459 | V | B | 1.8191 | |
| 460 | Y | B | 1.9077 | |
| 461 | N | B | 0.4607 | |
| 462 | F | B | 1.4644 | |
| 463 | N | B | -0.9898 | |
| 464 | S | B | -1.7373 | |
| 465 | L | B | -1.8821 | |
| 466 | N | B | -3.2247 | |
| 467 | N | B | -3.0356 | |
| 468 | R | B | -3.1441 | |
| 469 | R | B | -3.1392 | |
| 470 | Y | B | -1.2225 | |
| 471 | D | B | -2.8666 | |
| 472 | N | B | -2.0773 | |
| 473 | Y | B | -1.2206 | |
| 474 | D | B | -1.8271 | |
| 475 | S | B | -1.5580 | |
| 476 | D | B | -2.5824 | |
| 477 | S | B | -1.8404 | |
| 478 | E | B | -2.0772 | |
| 479 | D | B | -2.4839 | |
| 480 | R | B | -1.5279 | |
| 481 | I | B | -0.7755 | |
| 482 | D | B | -1.3613 | |
| 483 | N | B | -1.5629 | |
| 484 | D | B | 0.0000 | |
| 485 | Q | B | -1.8067 | |
| 486 | D | B | -1.7302 | |
| 487 | Q | B | -1.8745 | |
| 488 | A | B | -1.6696 | |
| 489 | I | B | -1.0759 | |
| 490 | R | B | -3.2249 | |
| 491 | E | B | -3.8720 | |
| 492 | N | B | -3.5729 | |
| 493 | R | B | -3.9286 | |
| 494 | G | B | -3.3095 | |
| 495 | E | B | -3.4326 | |
| 496 | P | B | -2.1276 | |
| 497 | G | B | -2.0137 | |
| 498 | Q | B | -2.6465 | |
| 499 | P | B | -2.1046 | |
| 500 | N | B | -2.7729 | |
| 501 | N | B | -2.7779 | |
| 502 | Q | B | -2.7267 | |
| 503 | T | B | -1.9579 | |
| 504 | S | B | -2.1143 | |
| 505 | E | B | -3.2420 | |
| 506 | N | B | -3.3483 | |
| 507 | Q | B | -3.1898 | |
| 508 | Q | B | -2.9673 | |
| 509 | R | B | -2.5250 | |
| 510 | L | B | -0.6444 | |
| 511 | N | B | -1.0835 | |
| 512 | L | B | 0.0835 | |
| 513 | P | B | -0.1206 | |
| 514 | V | B | -0.0461 | |
| 515 | P | B | -0.5626 | |
| 516 | Q | B | -1.3378 | |
| 517 | C | B | -1.1556 | |
| 518 | T | B | -0.7362 | |
| 519 | S | B | -0.7219 | |
| 520 | G | B | -0.6720 | |
| 521 | M | B | -1.0134 | |
| 522 | S | B | -1.3809 | |
| 523 | S | B | -1.9188 | |
| 524 | E | B | -3.1707 | |
| 525 | E | B | -3.0979 | |
| 526 | F | B | 0.0000 | |
| 527 | Q | B | 0.0000 | |
| 528 | H | B | -2.6109 | |
| 529 | S | B | -1.9277 | |
| 530 | M | B | 0.0000 | |
| 531 | N | B | -1.6794 | |
| 532 | Q | B | -2.0439 | |
| 533 | Y | B | -1.1677 | |
| 534 | I | B | 0.0000 | |
| 535 | R | B | -2.7596 | |
| 536 | A | B | -2.0535 | |
| 537 | M | B | -1.6634 | |
| 538 | H | B | -2.3528 | |
| 539 | E | B | -3.4744 | |
| 540 | Q | B | -2.7014 | |
| 541 | Y | B | -1.5475 | |
| 542 | R | B | -3.7436 | |
| 543 | G | B | -3.5930 | |
| 544 | S | B | -2.8691 | |
| 545 | Q | B | -3.6971 | |
| 546 | D | B | -4.4628 | |
| 547 | D | B | -4.7564 | |
| 548 | D | B | -4.1424 | |
| 549 | A | B | -3.0537 | |
| 550 | N | B | -3.2271 | |
| 551 | D | B | -3.3371 | |
| 552 | A | B | -2.0928 | |
| 553 | T | B | -2.0695 | |
| 554 | D | B | -2.8915 | |
| 555 | G | B | -2.1155 | |
| 556 | N | B | -2.3052 | |
| 557 | D | B | -1.5660 | |
| 558 | I | B | 0.8267 | |
| 559 | S | B | 0.4430 | |
| 560 | L | B | 1.5698 | |
| 561 | E | B | 0.3336 | |
| 562 | L | B | 1.8229 | |
| 563 | V | B | 1.6176 | |
| 564 | G | B | -0.0496 | |
| 565 | D | B | -1.2931 | |
| 566 | F | B | 0.0022 | |
| 567 | D | B | -1.8228 | |
| 568 | S | B | -1.4328 | |
| 569 | H | B | -2.0129 | |
| 570 | H | B | -2.3193 | |
| 571 | H | B | -2.4048 | |
| 572 | H | B | -2.3796 | |
| 573 | H | B | -2.3221 | |
| 574 | H | B | -1.6744 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.5856 | 5.0407 | View | CSV | PDB |
| 4.5 | -0.6662 | 4.9125 | View | CSV | PDB |
| 5.0 | -0.7639 | 4.7349 | View | CSV | PDB |
| 5.5 | -0.8641 | 4.5351 | View | CSV | PDB |
| 6.0 | -0.9532 | 4.3773 | View | CSV | PDB |
| 6.5 | -1.0226 | 4.2881 | View | CSV | PDB |
| 7.0 | -1.0722 | 4.1991 | View | CSV | PDB |
| 7.5 | -1.1086 | 4.1639 | View | CSV | PDB |
| 8.0 | -1.1366 | 4.1551 | View | CSV | PDB |
| 8.5 | -1.1555 | 4.1522 | View | CSV | PDB |
| 9.0 | -1.161 | 4.1512 | 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