| Chain sequence(s) |
A: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDELKSTQNAIDKITNKVNSVIEGSGYAADLKSTQNAIDKITNKVNSVIELTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSLSQLPRGRQPISDPFAGANDRETGGQATDTPVYNFNSLNNRRYDNYDSDSEDRIDNDQDQAIRENRGEPGQPNNQTSENQQRLNLPVPQCTSGMSSEEFQHSMNQYIRAMHEQYRGSQDDDANDATDGNDISLELVGDFDSHHHHHH
B: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDELKSTQNAIDKITNKVNSVIEGSGYAADLKSTQNAIDKITNKVNSVIELTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSLSQLPRGRQPISDPFAGANDRETGGQATDTPVYNFNSLNNRRYDNYDSDSEDRIDNDQDQAIRENRGEPGQPNNQTSENQQRLNLPVPQCTSGMSSEEFQHSMNQYIRAMHEQYRGSQDDDANDATDGNDISLELVGDFDSHHHHHH 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 (00:25:51)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/1a81db98c14d2d1/tmp/folded.pdb (00:25:51)
[INFO] Main: Simulation completed successfully. (00:33:03)
|
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 | 0.0793 | |
| 2 | S | A | 0.7460 | |
| 3 | V | A | 2.1578 | |
| 4 | L | A | 1.8055 | |
| 5 | K | A | -0.0503 | |
| 6 | T | A | 0.6557 | |
| 7 | F | A | 1.2489 | |
| 8 | E | A | -0.1886 | |
| 9 | R | A | -0.9183 | |
| 10 | F | A | 0.7963 | |
| 11 | T | A | -0.4598 | |
| 12 | I | A | -0.5970 | |
| 13 | Q | A | -1.6654 | |
| 14 | Q | A | -2.0146 | |
| 15 | E | A | -1.7658 | |
| 16 | L | A | -1.3887 | |
| 17 | Q | A | -2.9636 | |
| 18 | E | A | -3.6227 | |
| 19 | Q | A | -3.1917 | |
| 20 | S | A | -2.9412 | |
| 21 | E | A | -3.1694 | |
| 22 | D | A | -2.9169 | |
| 23 | T | A | -1.8181 | |
| 24 | P | A | 0.0855 | |
| 25 | I | A | 1.3716 | |
| 26 | P | A | 0.9028 | |
| 27 | L | A | 1.2366 | |
| 28 | E | A | -0.8043 | |
| 29 | T | A | -0.2755 | |
| 30 | I | A | 0.6083 | |
| 31 | R | A | -1.4972 | |
| 32 | P | A | -0.9606 | |
| 33 | T | A | -0.9101 | |
| 34 | I | A | 0.0000 | |
| 35 | R | A | -1.0155 | |
| 36 | V | A | 0.0000 | |
| 37 | F | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | N | A | -2.2383 | |
| 41 | N | A | -2.5531 | |
| 42 | N | A | -2.2680 | |
| 43 | D | A | -1.7192 | |
| 44 | P | A | -0.9067 | |
| 45 | V | A | 0.2732 | |
| 46 | V | A | -0.2723 | |
| 47 | R | A | 0.0000 | |
| 48 | S | A | 0.0000 | |
| 49 | R | A | -0.0933 | |
| 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 | -0.9294 | |
| 57 | I | A | 0.0000 | |
| 58 | I | A | 0.0000 | |
| 59 | M | A | 0.0000 | |
| 60 | S | A | 0.0000 | |
| 61 | N | A | -1.9647 | |
| 62 | T | A | -1.4996 | |
| 63 | A | A | 0.0000 | |
| 64 | R | A | -3.1532 | |
| 65 | E | A | -3.3646 | |
| 66 | G | A | -2.2198 | |
| 67 | H | A | -1.7657 | |
| 68 | R | A | -1.8282 | |
| 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 | 0.0000 | |
| 80 | S | A | 0.0000 | |
| 81 | A | A | -1.5443 | |
| 82 | A | A | -1.2342 | |
| 83 | M | A | 0.0000 | |
| 84 | S | A | -1.2194 | |
| 85 | N | A | -1.3633 | |
| 86 | H | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | K | A | -1.4986 | |
| 89 | L | A | -0.5983 | |
| 90 | A | A | 0.0000 | |
| 91 | M | A | -0.5044 | |
| 92 | H | A | -0.9699 | |
| 93 | S | A | 0.0000 | |
| 94 | P | A | -1.1411 | |
| 95 | E | A | -1.1977 | |
| 96 | A | A | 0.0000 | |
| 97 | S | A | -0.8613 | |
| 98 | I | A | -1.0193 | |
| 99 | D | A | -1.2866 | |
| 100 | R | A | -1.5069 | |
| 101 | V | A | 0.0000 | |
| 102 | E | A | 0.0000 | |
| 103 | I | A | 0.0000 | |
| 104 | T | A | -0.4144 | |
| 105 | G | A | 0.0000 | |
| 106 | F | A | -0.7772 | |
| 107 | E | A | -1.9450 | |
| 108 | N | A | -2.4268 | |
| 109 | N | A | -2.5148 | |
| 110 | S | A | -1.8244 | |
| 111 | F | A | 0.0000 | |
| 112 | R | A | -1.2284 | |
| 113 | V | A | 0.0000 | |
| 114 | I | A | 0.0832 | |
| 115 | P | A | -0.3525 | |
| 116 | D | A | -0.7797 | |
| 117 | A | A | -0.9005 | |
| 118 | R | A | -1.9304 | |
| 119 | T | A | -1.1448 | |
| 120 | S | A | -0.7924 | |
| 121 | T | A | -0.8298 | |
| 122 | M | A | -0.6871 | |
| 123 | S | A | -1.3254 | |
| 124 | R | A | -2.1074 | |
| 125 | G | A | -1.5207 | |
| 126 | E | A | -1.2948 | |
| 127 | V | A | 0.0000 | |
| 128 | L | A | -0.3933 | |
| 129 | A | A | -0.5961 | |
| 130 | F | A | 0.0000 | |
| 131 | E | A | -0.8572 | |
| 132 | A | A | -0.7996 | |
| 133 | L | A | 0.0000 | |
| 134 | A | A | 0.0000 | |
| 135 | E | A | -2.4640 | |
| 136 | D | A | -1.9927 | |
| 137 | I | A | 0.0000 | |
| 138 | P | A | -1.1542 | |
| 139 | D | A | -0.9092 | |
| 140 | E | A | -0.6352 | |
| 141 | L | A | -0.0430 | |
| 142 | K | A | -1.8403 | |
| 143 | S | A | -1.0413 | |
| 144 | T | A | -0.8495 | |
| 145 | Q | A | -1.6618 | |
| 146 | N | A | -2.3752 | |
| 147 | A | A | -1.6236 | |
| 148 | I | A | -1.1241 | |
| 149 | D | A | -2.7632 | |
| 150 | K | A | -3.0887 | |
| 151 | I | A | -1.5506 | |
| 152 | T | A | -1.4836 | |
| 153 | N | A | -2.7204 | |
| 154 | K | A | -2.0948 | |
| 155 | V | A | -0.5682 | |
| 156 | N | A | -1.4284 | |
| 157 | S | A | -1.2155 | |
| 158 | V | A | 0.4596 | |
| 159 | I | A | 0.8900 | |
| 160 | E | A | -1.3119 | |
| 161 | G | A | -0.7044 | |
| 162 | S | A | 0.2846 | |
| 163 | G | A | 0.0237 | |
| 164 | Y | A | 1.1064 | |
| 165 | A | A | 0.8420 | |
| 166 | A | A | 0.5911 | |
| 167 | D | A | -0.7666 | |
| 168 | L | A | -0.0965 | |
| 169 | K | A | -2.0313 | |
| 170 | S | A | -1.5393 | |
| 171 | T | A | -0.8198 | |
| 172 | Q | A | -2.2027 | |
| 173 | N | A | -2.5127 | |
| 174 | A | A | -1.4889 | |
| 175 | I | A | -1.0762 | |
| 176 | D | A | -2.9444 | |
| 177 | K | A | -3.2212 | |
| 178 | I | A | -1.8345 | |
| 179 | T | A | -2.0287 | |
| 180 | N | A | -2.9585 | |
| 181 | K | A | -2.7986 | |
| 182 | V | A | 0.0000 | |
| 183 | N | A | -2.4860 | |
| 184 | S | A | -1.5528 | |
| 185 | V | A | -0.5170 | |
| 186 | I | A | -0.4072 | |
| 187 | E | A | -1.4524 | |
| 188 | L | A | 0.1472 | |
| 189 | T | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | N | A | -0.5103 | |
| 192 | H | A | -1.2489 | |
| 193 | Q | A | -1.6691 | |
| 194 | T | A | 0.0000 | |
| 195 | P | A | 0.0000 | |
| 196 | F | A | 0.0000 | |
| 197 | V | A | 0.2587 | |
| 198 | N | A | -0.4432 | |
| 199 | L | A | -0.3706 | |
| 200 | Q | A | -1.5321 | |
| 201 | N | A | -2.4378 | |
| 202 | D | A | -2.4859 | |
| 203 | V | A | 0.0000 | |
| 204 | E | A | -1.5408 | |
| 205 | D | A | -2.3038 | |
| 206 | D | A | -0.8613 | |
| 207 | I | A | 0.8413 | |
| 208 | F | A | 0.0000 | |
| 209 | D | A | -1.4578 | |
| 210 | E | A | -1.7217 | |
| 211 | T | A | -1.6900 | |
| 212 | E | A | -1.9277 | |
| 213 | K | A | -1.4920 | |
| 214 | F | A | 0.0000 | |
| 215 | L | A | 0.0000 | |
| 216 | D | A | -1.0133 | |
| 217 | V | A | 0.0000 | |
| 218 | C | A | 0.0000 | |
| 219 | Y | A | 0.0000 | |
| 220 | S | A | 0.0000 | |
| 221 | V | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | M | A | 0.0000 | |
| 224 | Q | A | 0.0000 | |
| 225 | A | A | 0.0000 | |
| 226 | W | A | 0.0000 | |
| 227 | I | A | 0.0000 | |
| 228 | V | A | 0.0000 | |
| 229 | T | A | 0.0000 | |
| 230 | C | A | 0.0000 | |
| 231 | K | A | 0.0000 | |
| 232 | C | A | 0.0000 | |
| 233 | M | A | -0.6151 | |
| 234 | T | A | -1.4952 | |
| 235 | A | A | -2.2514 | |
| 236 | P | A | -1.7786 | |
| 237 | D | A | -2.6340 | |
| 238 | Q | A | -2.2748 | |
| 239 | P | A | -0.8274 | |
| 240 | P | A | -0.3640 | |
| 241 | V | A | 0.9451 | |
| 242 | S | A | -0.3441 | |
| 243 | V | A | 0.0000 | |
| 244 | A | A | -0.2083 | |
| 245 | K | A | -1.2277 | |
| 246 | R | A | 0.0000 | |
| 247 | M | A | 0.0000 | |
| 248 | A | A | -0.7826 | |
| 249 | K | A | 0.0000 | |
| 250 | Y | A | 0.0000 | |
| 251 | Q | A | -0.9014 | |
| 252 | Q | A | -1.0987 | |
| 253 | Q | A | -1.2223 | |
| 254 | G | A | -1.1138 | |
| 255 | R | A | 0.0000 | |
| 256 | I | A | 0.0000 | |
| 257 | N | A | -0.4905 | |
| 258 | A | A | 0.0027 | |
| 259 | C | A | 0.3996 | |
| 260 | R | A | -0.4762 | |
| 261 | Y | A | 0.0000 | |
| 262 | V | A | 0.1929 | |
| 263 | L | A | 0.0000 | |
| 264 | Q | A | 0.0000 | |
| 265 | P | A | -0.6209 | |
| 266 | E | A | 0.0000 | |
| 267 | A | A | 0.0000 | |
| 268 | Q | A | -0.8191 | |
| 269 | R | A | -1.2029 | |
| 270 | L | A | -0.6530 | |
| 271 | I | A | 0.0000 | |
| 272 | Q | A | -1.1965 | |
| 273 | N | A | -1.6906 | |
| 274 | A | A | 0.0000 | |
| 275 | I | A | 0.0000 | |
| 276 | R | A | -1.8452 | |
| 277 | K | A | -2.6060 | |
| 278 | S | A | 0.0000 | |
| 279 | M | A | -0.7667 | |
| 280 | V | A | 0.0000 | |
| 281 | V | A | 0.0000 | |
| 282 | R | A | 0.0000 | |
| 283 | H | A | -0.0812 | |
| 284 | F | A | 0.0000 | |
| 285 | M | A | 0.0000 | |
| 286 | T | A | 0.0000 | |
| 287 | Y | A | 0.1329 | |
| 288 | E | A | 0.0000 | |
| 289 | L | A | 0.0000 | |
| 290 | Q | A | -0.0431 | |
| 291 | L | A | 0.0000 | |
| 292 | S | A | -0.1391 | |
| 293 | Q | A | -0.7753 | |
| 294 | S | A | -1.1182 | |
| 295 | R | A | -2.2902 | |
| 296 | S | A | -0.7340 | |
| 297 | L | A | 0.0000 | |
| 298 | L | A | -0.3346 | |
| 299 | A | A | -0.4399 | |
| 300 | N | A | -0.7835 | |
| 301 | R | A | -0.3937 | |
| 302 | Y | A | 0.0000 | |
| 303 | Y | A | 0.0000 | |
| 304 | A | A | 0.0000 | |
| 305 | M | A | 0.0000 | |
| 306 | V | A | 0.0000 | |
| 307 | G | A | -0.2712 | |
| 308 | D | A | 0.0000 | |
| 309 | I | A | 0.0000 | |
| 310 | G | A | 0.0000 | |
| 311 | K | A | -0.5693 | |
| 312 | Y | A | -0.5488 | |
| 313 | I | A | 0.0000 | |
| 314 | E | A | 0.0000 | |
| 315 | H | A | -0.5370 | |
| 316 | S | A | 0.0000 | |
| 317 | G | A | -0.7473 | |
| 318 | M | A | 0.0000 | |
| 319 | G | A | -0.5833 | |
| 320 | G | A | 0.0000 | |
| 321 | F | A | 0.0000 | |
| 322 | F | A | 0.1158 | |
| 323 | L | A | 0.1060 | |
| 324 | T | A | 0.0000 | |
| 325 | L | A | 0.0000 | |
| 326 | K | A | -0.5108 | |
| 327 | Y | A | 0.0000 | |
| 328 | G | A | 0.0000 | |
| 329 | L | A | 0.0000 | |
| 330 | G | A | 0.0000 | |
| 331 | T | A | 0.0000 | |
| 332 | R | A | -0.7046 | |
| 333 | W | A | 0.0000 | |
| 334 | P | A | -0.2882 | |
| 335 | T | A | 0.0529 | |
| 336 | L | A | 0.0000 | |
| 337 | A | A | 0.2669 | |
| 338 | L | A | 0.7036 | |
| 339 | A | A | 0.3247 | |
| 340 | A | A | 0.2367 | |
| 341 | F | A | 0.0000 | |
| 342 | S | A | -0.2345 | |
| 343 | G | A | -0.5144 | |
| 344 | E | A | -0.7130 | |
| 345 | L | A | -0.3108 | |
| 346 | Q | A | -0.4712 | |
| 347 | K | A | -1.0447 | |
| 348 | L | A | 0.0000 | |
| 349 | K | A | -0.1744 | |
| 350 | A | A | 0.0000 | |
| 351 | L | A | 0.0000 | |
| 352 | M | A | 0.0000 | |
| 353 | L | A | 0.1573 | |
| 354 | H | A | 0.0000 | |
| 355 | Y | A | 0.0000 | |
| 356 | Q | A | -0.3610 | |
| 357 | S | A | -0.5558 | |
| 358 | L | A | -0.3755 | |
| 359 | G | A | -0.2624 | |
| 360 | P | A | -0.5648 | |
| 361 | M | A | -0.0066 | |
| 362 | A | A | 0.0000 | |
| 363 | K | A | -0.4517 | |
| 364 | Y | A | 0.0000 | |
| 365 | M | A | 0.0000 | |
| 366 | A | A | -0.6539 | |
| 367 | L | A | 0.0000 | |
| 368 | L | A | -0.7189 | |
| 369 | E | A | -1.6717 | |
| 370 | S | A | -1.0411 | |
| 371 | P | A | -0.7540 | |
| 372 | K | A | -0.8972 | |
| 373 | L | A | -0.2290 | |
| 374 | M | A | 0.2608 | |
| 375 | D | A | -0.5704 | |
| 376 | F | A | 0.0000 | |
| 377 | V | A | 0.1878 | |
| 378 | P | A | 0.0000 | |
| 379 | S | A | -0.4018 | |
| 380 | E | A | -0.9880 | |
| 381 | Y | A | 0.0000 | |
| 382 | P | A | -0.2782 | |
| 383 | L | A | -0.1285 | |
| 384 | V | A | 0.0000 | |
| 385 | Y | A | 0.0000 | |
| 386 | S | A | 0.0000 | |
| 387 | Y | A | 0.0000 | |
| 388 | A | A | 0.0000 | |
| 389 | M | A | 0.0000 | |
| 390 | G | A | 0.0000 | |
| 391 | I | A | 0.0000 | |
| 392 | G | A | 0.0000 | |
| 393 | T | A | -0.5242 | |
| 394 | V | A | -0.4622 | |
| 395 | L | A | 0.0000 | |
| 396 | D | A | -0.5560 | |
| 397 | T | A | -0.9161 | |
| 398 | N | A | -1.2788 | |
| 399 | M | A | 0.0000 | |
| 400 | R | A | -2.5081 | |
| 401 | N | A | -2.2286 | |
| 402 | Y | A | 0.0000 | |
| 403 | A | A | -1.3410 | |
| 404 | Y | A | -0.7138 | |
| 405 | G | A | -1.2078 | |
| 406 | R | A | -0.9943 | |
| 407 | S | A | -0.6068 | |
| 408 | Y | A | -0.2471 | |
| 409 | L | A | 0.0000 | |
| 410 | N | A | -0.6383 | |
| 411 | P | A | -0.7598 | |
| 412 | Q | A | -1.1478 | |
| 413 | Y | A | -0.5584 | |
| 414 | F | A | 0.0000 | |
| 415 | Q | A | -0.7798 | |
| 416 | L | A | -0.6767 | |
| 417 | G | A | 0.0000 | |
| 418 | V | A | -1.1308 | |
| 419 | E | A | -2.2538 | |
| 420 | T | A | 0.0000 | |
| 421 | A | A | 0.0000 | |
| 422 | R | A | -3.1265 | |
| 423 | K | A | -3.0973 | |
| 424 | Q | A | -1.8778 | |
| 425 | Q | A | -1.6336 | |
| 426 | G | A | -1.0271 | |
| 427 | A | A | -0.8851 | |
| 428 | V | A | -0.6781 | |
| 429 | D | A | -1.8911 | |
| 430 | N | A | -3.0676 | |
| 431 | R | A | -3.6428 | |
| 432 | T | A | -2.6607 | |
| 433 | A | A | 0.0000 | |
| 434 | E | A | -3.8774 | |
| 435 | D | A | -3.6663 | |
| 436 | L | A | -2.3730 | |
| 437 | G | A | -2.2157 | |
| 438 | M | A | -1.5196 | |
| 439 | T | A | -0.8474 | |
| 440 | A | A | -0.5769 | |
| 441 | A | A | -0.8500 | |
| 442 | D | A | -1.4607 | |
| 443 | K | A | -1.4293 | |
| 444 | A | A | -1.2072 | |
| 445 | D | A | -2.1430 | |
| 446 | L | A | 0.0000 | |
| 447 | T | A | -1.0930 | |
| 448 | A | A | -1.2276 | |
| 449 | T | A | 0.0000 | |
| 450 | I | A | 0.0000 | |
| 451 | S | A | -1.0161 | |
| 452 | K | A | -1.4370 | |
| 453 | L | A | -0.8434 | |
| 454 | S | A | -0.4530 | |
| 455 | L | A | 0.7091 | |
| 456 | S | A | -0.1927 | |
| 457 | Q | A | -0.8188 | |
| 458 | L | A | -0.9760 | |
| 459 | P | A | -2.0894 | |
| 460 | R | A | -3.1948 | |
| 461 | G | A | -2.8036 | |
| 462 | R | A | -3.1599 | |
| 463 | Q | A | -2.5102 | |
| 464 | P | A | -1.6971 | |
| 465 | I | A | -0.6928 | |
| 466 | S | A | -0.4756 | |
| 467 | D | A | -0.6512 | |
| 468 | P | A | -0.4814 | |
| 469 | F | A | -0.2867 | |
| 470 | A | A | -0.5280 | |
| 471 | G | A | -0.9825 | |
| 472 | A | A | -1.4661 | |
| 473 | N | A | -2.9684 | |
| 474 | D | A | -3.8634 | |
| 475 | R | A | -4.0097 | |
| 476 | E | A | -3.5189 | |
| 477 | T | A | -1.9533 | |
| 478 | G | A | -1.3131 | |
| 479 | G | A | -1.2601 | |
| 480 | Q | A | -1.6824 | |
| 481 | A | A | -1.1641 | |
| 482 | T | A | -1.3479 | |
| 483 | D | A | -1.8426 | |
| 484 | T | A | -0.3989 | |
| 485 | P | A | 0.1831 | |
| 486 | V | A | 1.9368 | |
| 487 | Y | A | 1.8207 | |
| 488 | N | A | 0.3419 | |
| 489 | F | A | 1.4566 | |
| 490 | N | A | -0.4079 | |
| 491 | S | A | -0.2151 | |
| 492 | L | A | 0.3736 | |
| 493 | N | A | -1.8285 | |
| 494 | N | A | -2.5134 | |
| 495 | R | A | -3.0848 | |
| 496 | R | A | -3.0884 | |
| 497 | Y | A | -1.0578 | |
| 498 | D | A | -2.4513 | |
| 499 | N | A | -2.4914 | |
| 500 | Y | A | -1.1704 | |
| 501 | D | A | -2.1619 | |
| 502 | S | A | -1.2701 | |
| 503 | D | A | -1.2845 | |
| 504 | S | A | -1.1623 | |
| 505 | E | A | -1.4666 | |
| 506 | D | A | -1.9022 | |
| 507 | R | A | -1.8733 | |
| 508 | I | A | -1.3320 | |
| 509 | D | A | -2.0331 | |
| 510 | N | A | -2.9330 | |
| 511 | D | A | -3.6134 | |
| 512 | Q | A | -3.8998 | |
| 513 | D | A | -3.3002 | |
| 514 | Q | A | -2.3987 | |
| 515 | A | A | -0.8284 | |
| 516 | I | A | -0.0465 | |
| 517 | R | A | -2.4084 | |
| 518 | E | A | -3.3216 | |
| 519 | N | A | -3.4893 | |
| 520 | R | A | -3.9178 | |
| 521 | G | A | -2.7955 | |
| 522 | E | A | -2.9830 | |
| 523 | P | A | -1.7236 | |
| 524 | G | A | -1.5871 | |
| 525 | Q | A | -2.0385 | |
| 526 | P | A | -1.9327 | |
| 527 | N | A | -2.5474 | |
| 528 | N | A | -2.5487 | |
| 529 | Q | A | -2.2867 | |
| 530 | T | A | -1.6459 | |
| 531 | S | A | -1.8853 | |
| 532 | E | A | -2.9780 | |
| 533 | N | A | -3.3501 | |
| 534 | Q | A | -3.3216 | |
| 535 | Q | A | -3.0363 | |
| 536 | R | A | -2.5416 | |
| 537 | L | A | -0.3135 | |
| 538 | N | A | -1.2567 | |
| 539 | L | A | 0.1591 | |
| 540 | P | A | -0.2412 | |
| 541 | V | A | -0.3613 | |
| 542 | P | A | -0.4945 | |
| 543 | Q | A | -0.8072 | |
| 544 | C | A | -0.2076 | |
| 545 | T | A | -0.2022 | |
| 546 | S | A | -0.3418 | |
| 547 | G | A | -0.5349 | |
| 548 | M | A | -0.8673 | |
| 549 | S | A | -1.5039 | |
| 550 | S | A | -1.9934 | |
| 551 | E | A | -3.2784 | |
| 552 | E | A | -3.2563 | |
| 553 | F | A | -2.2636 | |
| 554 | Q | A | -2.6511 | |
| 555 | H | A | -2.6677 | |
| 556 | S | A | -1.6969 | |
| 557 | M | A | 0.0000 | |
| 558 | N | A | -1.6058 | |
| 559 | Q | A | -1.1441 | |
| 560 | Y | A | 0.0000 | |
| 561 | I | A | -0.7130 | |
| 562 | R | A | -1.1152 | |
| 563 | A | A | 0.0000 | |
| 564 | M | A | -0.7037 | |
| 565 | H | A | -1.1200 | |
| 566 | E | A | -1.5800 | |
| 567 | Q | A | -1.3576 | |
| 568 | Y | A | -0.5748 | |
| 569 | R | A | -2.5854 | |
| 570 | G | A | -2.6596 | |
| 571 | S | A | -2.5711 | |
| 572 | Q | A | -3.6586 | |
| 573 | D | A | -4.7645 | |
| 574 | D | A | -4.3117 | |
| 575 | D | A | -4.0440 | |
| 576 | A | A | -2.8000 | |
| 577 | N | A | -3.1487 | |
| 578 | D | A | -2.5949 | |
| 579 | A | A | -1.5208 | |
| 580 | T | A | -1.5727 | |
| 581 | D | A | -2.2746 | |
| 582 | G | A | -2.1220 | |
| 583 | N | A | -2.1658 | |
| 584 | D | A | -1.3949 | |
| 585 | I | A | 0.8908 | |
| 586 | S | A | 0.5643 | |
| 587 | L | A | 1.5482 | |
| 588 | E | A | 0.2484 | |
| 589 | L | A | 1.7791 | |
| 590 | V | A | 1.7903 | |
| 591 | G | A | -0.1905 | |
| 592 | D | A | -1.2200 | |
| 593 | F | A | 0.2622 | |
| 594 | D | A | -1.7434 | |
| 595 | S | A | -1.5346 | |
| 596 | H | A | -2.1645 | |
| 597 | H | A | -2.1737 | |
| 598 | H | A | -2.3338 | |
| 599 | H | A | -2.3268 | |
| 600 | H | A | -2.1158 | |
| 601 | H | A | -1.6270 | |
| 1 | S | B | -0.5760 | |
| 2 | S | B | -0.7379 | |
| 3 | V | B | -0.6104 | |
| 4 | L | B | -1.0399 | |
| 5 | K | B | -2.3019 | |
| 6 | T | B | -1.5185 | |
| 7 | F | B | -1.3184 | |
| 8 | E | B | -2.3133 | |
| 9 | R | B | -2.7015 | |
| 10 | F | B | 0.0000 | |
| 11 | T | B | -1.4163 | |
| 12 | I | B | -1.1898 | |
| 13 | Q | B | -1.5486 | |
| 14 | Q | B | -1.3350 | |
| 15 | E | B | -0.8777 | |
| 16 | L | B | -0.5292 | |
| 17 | Q | B | -2.1761 | |
| 18 | E | B | -2.0309 | |
| 19 | Q | B | -2.1334 | |
| 20 | S | B | -2.4643 | |
| 21 | E | B | -3.0644 | |
| 22 | D | B | -2.8217 | |
| 23 | T | B | -1.7384 | |
| 24 | P | B | -0.1237 | |
| 25 | I | B | 1.0279 | |
| 26 | P | B | 0.3613 | |
| 27 | L | B | -0.2599 | |
| 28 | E | B | -1.7695 | |
| 29 | T | B | 0.0000 | |
| 30 | I | B | 0.0000 | |
| 31 | R | B | -2.4151 | |
| 32 | P | B | 0.0000 | |
| 33 | T | B | -1.0371 | |
| 34 | I | B | 0.0000 | |
| 35 | R | B | -1.0786 | |
| 36 | V | B | 0.0000 | |
| 37 | F | B | 0.0000 | |
| 38 | V | B | 0.0000 | |
| 39 | I | B | 0.0000 | |
| 40 | N | B | -2.2992 | |
| 41 | N | B | -2.7084 | |
| 42 | N | B | -2.4186 | |
| 43 | D | B | -2.1826 | |
| 44 | P | B | -1.6812 | |
| 45 | V | B | -0.3158 | |
| 46 | V | B | -0.4937 | |
| 47 | R | B | 0.0000 | |
| 48 | S | B | 0.0000 | |
| 49 | R | B | -0.1002 | |
| 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 | -0.9413 | |
| 57 | I | B | 0.0000 | |
| 58 | I | B | 0.0000 | |
| 59 | M | B | 0.0000 | |
| 60 | S | B | 0.0000 | |
| 61 | N | B | -1.9776 | |
| 62 | T | B | -1.5507 | |
| 63 | A | B | 0.0000 | |
| 64 | R | B | -2.4858 | |
| 65 | E | B | -2.4314 | |
| 66 | G | B | -1.6763 | |
| 67 | H | B | -1.2921 | |
| 68 | R | B | -1.3377 | |
| 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 | -0.2865 | |
| 80 | S | B | -0.3812 | |
| 81 | A | B | -0.8317 | |
| 82 | A | B | -1.0529 | |
| 83 | M | B | 0.0000 | |
| 84 | S | B | -1.3564 | |
| 85 | N | B | -1.6832 | |
| 86 | H | B | -1.0003 | |
| 87 | I | B | 0.0000 | |
| 88 | K | B | -1.6195 | |
| 89 | L | B | -0.6566 | |
| 90 | A | B | 0.0000 | |
| 91 | M | B | -0.3295 | |
| 92 | H | B | -0.8556 | |
| 93 | S | B | 0.0000 | |
| 94 | P | B | -1.0678 | |
| 95 | E | B | -1.1648 | |
| 96 | A | B | 0.0000 | |
| 97 | S | B | -0.9066 | |
| 98 | I | B | -0.9035 | |
| 99 | D | B | -1.1670 | |
| 100 | R | B | -1.5215 | |
| 101 | V | B | 0.0000 | |
| 102 | E | B | 0.0000 | |
| 103 | I | B | 0.0000 | |
| 104 | T | B | -0.4001 | |
| 105 | G | B | 0.0000 | |
| 106 | F | B | -0.6956 | |
| 107 | E | B | -1.8164 | |
| 108 | N | B | -2.3566 | |
| 109 | N | B | -2.4365 | |
| 110 | S | B | -1.6835 | |
| 111 | F | B | -0.9927 | |
| 112 | R | B | -1.0868 | |
| 113 | V | B | 0.0000 | |
| 114 | I | B | 0.1484 | |
| 115 | P | B | -0.3509 | |
| 116 | D | B | -0.7756 | |
| 117 | A | B | -0.8877 | |
| 118 | R | B | -1.9246 | |
| 119 | T | B | -1.1354 | |
| 120 | S | B | -0.7704 | |
| 121 | T | B | -0.7904 | |
| 122 | M | B | -0.6617 | |
| 123 | S | B | -1.2739 | |
| 124 | R | B | -2.0598 | |
| 125 | G | B | -1.4509 | |
| 126 | E | B | -1.1432 | |
| 127 | V | B | 0.0000 | |
| 128 | L | B | -0.3226 | |
| 129 | A | B | -0.5425 | |
| 130 | F | B | 0.0000 | |
| 131 | E | B | -0.7857 | |
| 132 | A | B | -0.8008 | |
| 133 | L | B | 0.0000 | |
| 134 | A | B | 0.0000 | |
| 135 | E | B | -2.5127 | |
| 136 | D | B | -2.1504 | |
| 137 | I | B | 0.0000 | |
| 138 | P | B | -1.4434 | |
| 139 | D | B | -1.2635 | |
| 140 | E | B | -1.1245 | |
| 141 | L | B | -0.3884 | |
| 142 | K | B | -1.8188 | |
| 143 | S | B | -1.1908 | |
| 144 | T | B | -1.3157 | |
| 145 | Q | B | -2.1034 | |
| 146 | N | B | -2.4108 | |
| 147 | A | B | -1.8364 | |
| 148 | I | B | -1.1825 | |
| 149 | D | B | -2.5786 | |
| 150 | K | B | -3.0372 | |
| 151 | I | B | -1.6738 | |
| 152 | T | B | -1.6729 | |
| 153 | N | B | -2.5840 | |
| 154 | K | B | -1.9900 | |
| 155 | V | B | -0.6332 | |
| 156 | N | B | -1.3560 | |
| 157 | S | B | -0.8983 | |
| 158 | V | B | 0.5180 | |
| 159 | I | B | 0.8662 | |
| 160 | E | B | -1.3060 | |
| 161 | G | B | -0.5355 | |
| 162 | S | B | 0.2455 | |
| 163 | G | B | 0.0591 | |
| 164 | Y | B | 0.9335 | |
| 165 | A | B | 0.7798 | |
| 166 | A | B | 0.4397 | |
| 167 | D | B | -1.1033 | |
| 168 | L | B | -0.1934 | |
| 169 | K | B | -2.0586 | |
| 170 | S | B | -1.6227 | |
| 171 | T | B | -0.7354 | |
| 172 | Q | B | -1.9044 | |
| 173 | N | B | -2.7158 | |
| 174 | A | B | -1.4825 | |
| 175 | I | B | -1.1634 | |
| 176 | D | B | -2.8480 | |
| 177 | K | B | -3.4244 | |
| 178 | I | B | -2.0677 | |
| 179 | T | B | -2.1176 | |
| 180 | N | B | -3.1321 | |
| 181 | K | B | -2.9809 | |
| 182 | V | B | 0.0000 | |
| 183 | N | B | -2.4080 | |
| 184 | S | B | -1.6633 | |
| 185 | V | B | -0.8626 | |
| 186 | I | B | -0.9096 | |
| 187 | E | B | -1.6243 | |
| 188 | L | B | -0.4364 | |
| 189 | T | B | 0.0000 | |
| 190 | L | B | 0.0000 | |
| 191 | N | B | -1.2884 | |
| 192 | H | B | -1.4253 | |
| 193 | Q | B | -1.8157 | |
| 194 | T | B | 0.0000 | |
| 195 | P | B | 0.0000 | |
| 196 | F | B | 0.0000 | |
| 197 | V | B | 0.3634 | |
| 198 | N | B | -0.1386 | |
| 199 | L | B | 0.1269 | |
| 200 | Q | B | -1.1475 | |
| 201 | N | B | -1.9826 | |
| 202 | D | B | -2.3971 | |
| 203 | V | B | 0.0000 | |
| 204 | E | B | -1.5126 | |
| 205 | D | B | -2.2430 | |
| 206 | D | B | -0.7273 | |
| 207 | I | B | 0.6604 | |
| 208 | F | B | 0.0000 | |
| 209 | D | B | -2.3685 | |
| 210 | E | B | -3.1232 | |
| 211 | T | B | -2.6981 | |
| 212 | E | B | -3.1301 | |
| 213 | K | B | -2.5159 | |
| 214 | F | B | 0.0000 | |
| 215 | L | B | -1.3571 | |
| 216 | D | B | -1.4858 | |
| 217 | V | B | 0.0000 | |
| 218 | C | B | 0.0000 | |
| 219 | Y | B | 0.0000 | |
| 220 | S | B | 0.0000 | |
| 221 | V | B | 0.0000 | |
| 222 | L | B | 0.0000 | |
| 223 | M | B | 0.0000 | |
| 224 | Q | B | 0.0000 | |
| 225 | A | B | 0.0000 | |
| 226 | W | B | 0.0000 | |
| 227 | I | B | 0.0000 | |
| 228 | V | B | 0.0000 | |
| 229 | T | B | 0.0000 | |
| 230 | C | B | -0.0298 | |
| 231 | K | B | 0.0000 | |
| 232 | C | B | 0.0000 | |
| 233 | M | B | -0.0970 | |
| 234 | T | B | -0.5707 | |
| 235 | A | B | -1.4304 | |
| 236 | P | B | -1.6680 | |
| 237 | D | B | -2.5975 | |
| 238 | Q | B | -2.1163 | |
| 239 | P | B | -0.8777 | |
| 240 | P | B | -0.3744 | |
| 241 | V | B | 0.9448 | |
| 242 | S | B | -0.3046 | |
| 243 | V | B | 0.0000 | |
| 244 | A | B | -0.3508 | |
| 245 | K | B | -1.4248 | |
| 246 | R | B | 0.0000 | |
| 247 | M | B | 0.0000 | |
| 248 | A | B | -1.4478 | |
| 249 | K | B | -1.9173 | |
| 250 | Y | B | 0.0000 | |
| 251 | Q | B | -2.0538 | |
| 252 | Q | B | -2.4555 | |
| 253 | Q | B | -2.5130 | |
| 254 | G | B | -2.2210 | |
| 255 | R | B | -2.3527 | |
| 256 | I | B | 0.0000 | |
| 257 | N | B | -1.0462 | |
| 258 | A | B | -0.3103 | |
| 259 | C | B | 0.4956 | |
| 260 | R | B | -0.3782 | |
| 261 | Y | B | 0.0000 | |
| 262 | V | B | 0.1945 | |
| 263 | L | B | 0.0000 | |
| 264 | Q | B | 0.0000 | |
| 265 | P | B | -0.6606 | |
| 266 | E | B | 0.0000 | |
| 267 | A | B | 0.0000 | |
| 268 | Q | B | -0.6946 | |
| 269 | R | B | -0.9909 | |
| 270 | L | B | -0.5000 | |
| 271 | I | B | 0.0000 | |
| 272 | Q | B | -0.8271 | |
| 273 | N | B | -1.1494 | |
| 274 | A | B | 0.0000 | |
| 275 | I | B | 0.0000 | |
| 276 | R | B | -1.0887 | |
| 277 | K | B | -1.7339 | |
| 278 | S | B | 0.0000 | |
| 279 | M | B | 0.0000 | |
| 280 | V | B | 0.0000 | |
| 281 | V | B | 0.0000 | |
| 282 | R | B | 0.0000 | |
| 283 | H | B | 0.0000 | |
| 284 | F | B | 0.0000 | |
| 285 | M | B | 0.0000 | |
| 286 | T | B | 0.0000 | |
| 287 | Y | B | 0.1468 | |
| 288 | E | B | 0.0000 | |
| 289 | L | B | 0.0000 | |
| 290 | Q | B | -0.4945 | |
| 291 | L | B | -0.0920 | |
| 292 | S | B | -0.6079 | |
| 293 | Q | B | -0.9042 | |
| 294 | S | B | -0.8511 | |
| 295 | R | B | -1.4648 | |
| 296 | S | B | -0.0605 | |
| 297 | L | B | 1.5743 | |
| 298 | L | B | 1.5158 | |
| 299 | A | B | -0.0976 | |
| 300 | N | B | -1.5115 | |
| 301 | R | B | -2.2664 | |
| 302 | Y | B | 0.0000 | |
| 303 | Y | B | -0.6424 | |
| 304 | A | B | -0.6160 | |
| 305 | M | B | 0.0000 | |
| 306 | V | B | 0.0000 | |
| 307 | G | B | -0.9227 | |
| 308 | D | B | -0.9471 | |
| 309 | I | B | 0.0000 | |
| 310 | G | B | 0.0000 | |
| 311 | K | B | -1.8867 | |
| 312 | Y | B | -0.9882 | |
| 313 | I | B | 0.0000 | |
| 314 | E | B | 0.0000 | |
| 315 | H | B | -0.8070 | |
| 316 | S | B | -0.6660 | |
| 317 | G | B | -0.4720 | |
| 318 | M | B | 0.0000 | |
| 319 | G | B | -0.3709 | |
| 320 | G | B | -0.0950 | |
| 321 | F | B | 0.0000 | |
| 322 | F | B | 0.0444 | |
| 323 | L | B | -0.1969 | |
| 324 | T | B | 0.0000 | |
| 325 | L | B | -0.4656 | |
| 326 | K | B | -1.6131 | |
| 327 | Y | B | 0.0000 | |
| 328 | G | B | 0.0000 | |
| 329 | L | B | -0.7205 | |
| 330 | G | B | -1.2887 | |
| 331 | T | B | -1.2508 | |
| 332 | R | B | -2.3519 | |
| 333 | W | B | -1.0060 | |
| 334 | P | B | -1.2583 | |
| 335 | T | B | 0.0000 | |
| 336 | L | B | 0.0000 | |
| 337 | A | B | 0.0000 | |
| 338 | L | B | 0.0000 | |
| 339 | A | B | 0.0000 | |
| 340 | A | B | 0.0000 | |
| 341 | F | B | 0.0000 | |
| 342 | S | B | 0.0000 | |
| 343 | G | B | -0.5988 | |
| 344 | E | B | 0.0000 | |
| 345 | L | B | -0.2791 | |
| 346 | Q | B | -0.7626 | |
| 347 | K | B | -0.7589 | |
| 348 | L | B | 0.0000 | |
| 349 | K | B | -0.9087 | |
| 350 | A | B | 0.0000 | |
| 351 | L | B | 0.0000 | |
| 352 | M | B | 0.0420 | |
| 353 | L | B | 0.2323 | |
| 354 | H | B | 0.0000 | |
| 355 | Y | B | -0.2636 | |
| 356 | Q | B | -0.8407 | |
| 357 | S | B | -0.5639 | |
| 358 | L | B | -0.6184 | |
| 359 | G | B | -0.5667 | |
| 360 | P | B | -0.6259 | |
| 361 | M | B | -0.3255 | |
| 362 | A | B | 0.0000 | |
| 363 | K | B | -0.9638 | |
| 364 | Y | B | 0.0000 | |
| 365 | M | B | 0.0000 | |
| 366 | A | B | -0.2690 | |
| 367 | L | B | 0.0000 | |
| 368 | L | B | 0.0000 | |
| 369 | E | B | -0.3064 | |
| 370 | S | B | 0.0000 | |
| 371 | P | B | -0.1573 | |
| 372 | K | B | -0.2589 | |
| 373 | L | B | 0.2099 | |
| 374 | M | B | 0.1109 | |
| 375 | D | B | -0.1524 | |
| 376 | F | B | 0.0000 | |
| 377 | V | B | 0.2276 | |
| 378 | P | B | -0.0918 | |
| 379 | S | B | -0.5248 | |
| 380 | E | B | -0.7299 | |
| 381 | Y | B | 0.0000 | |
| 382 | P | B | 0.0000 | |
| 383 | L | B | 0.0000 | |
| 384 | V | B | 0.0000 | |
| 385 | Y | B | 0.0000 | |
| 386 | S | B | 0.0000 | |
| 387 | Y | B | 0.0000 | |
| 388 | A | B | 0.0000 | |
| 389 | M | B | 0.0000 | |
| 390 | G | B | 0.0000 | |
| 391 | I | B | 0.0000 | |
| 392 | G | B | 0.0000 | |
| 393 | T | B | -0.3024 | |
| 394 | V | B | -0.2696 | |
| 395 | L | B | 0.1473 | |
| 396 | D | B | -0.2840 | |
| 397 | T | B | -0.8960 | |
| 398 | N | B | -2.1790 | |
| 399 | M | B | 0.0000 | |
| 400 | R | B | -2.7114 | |
| 401 | N | B | -3.3281 | |
| 402 | Y | B | -2.2959 | |
| 403 | A | B | -1.6885 | |
| 404 | Y | B | -0.6378 | |
| 405 | G | B | -0.8643 | |
| 406 | R | B | -1.0155 | |
| 407 | S | B | -0.5300 | |
| 408 | Y | B | -0.3547 | |
| 409 | L | B | -0.1515 | |
| 410 | N | B | 0.0000 | |
| 411 | P | B | -0.1110 | |
| 412 | Q | B | -0.7507 | |
| 413 | Y | B | 0.0000 | |
| 414 | F | B | -0.2157 | |
| 415 | Q | B | -0.7596 | |
| 416 | L | B | 0.0000 | |
| 417 | G | B | 0.0000 | |
| 418 | V | B | -0.8825 | |
| 419 | E | B | -2.0416 | |
| 420 | T | B | 0.0000 | |
| 421 | A | B | 0.0000 | |
| 422 | R | B | -3.0653 | |
| 423 | K | B | -3.0477 | |
| 424 | Q | B | -2.2313 | |
| 425 | Q | B | -2.0174 | |
| 426 | G | B | -1.5032 | |
| 427 | A | B | -1.2744 | |
| 428 | V | B | -1.5598 | |
| 429 | D | B | -3.2367 | |
| 430 | N | B | -3.6104 | |
| 431 | R | B | -3.9246 | |
| 432 | T | B | -2.7460 | |
| 433 | A | B | 0.0000 | |
| 434 | E | B | -3.6336 | |
| 435 | D | B | -2.9485 | |
| 436 | L | B | -0.7112 | |
| 437 | G | B | -1.3706 | |
| 438 | M | B | -1.2053 | |
| 439 | T | B | -0.7534 | |
| 440 | A | B | -0.5626 | |
| 441 | A | B | -0.8761 | |
| 442 | D | B | -1.5330 | |
| 443 | K | B | -1.3799 | |
| 444 | A | B | -0.9915 | |
| 445 | D | B | -1.8778 | |
| 446 | L | B | -0.6830 | |
| 447 | T | B | -0.6905 | |
| 448 | A | B | -0.8320 | |
| 449 | T | B | -0.3770 | |
| 450 | I | B | -0.0063 | |
| 451 | S | B | -0.7179 | |
| 452 | K | B | -0.7791 | |
| 453 | L | B | 0.5899 | |
| 454 | S | B | 0.1646 | |
| 455 | L | B | 1.2411 | |
| 456 | S | B | 0.1239 | |
| 457 | Q | B | -0.5712 | |
| 458 | L | B | 0.5060 | |
| 459 | P | B | -1.4519 | |
| 460 | R | B | -2.6901 | |
| 461 | G | B | -2.5403 | |
| 462 | R | B | -2.8516 | |
| 463 | Q | B | -2.2521 | |
| 464 | P | B | -0.9364 | |
| 465 | I | B | 0.6567 | |
| 466 | S | B | -0.2503 | |
| 467 | D | B | -0.5275 | |
| 468 | P | B | 0.4772 | |
| 469 | F | B | 1.1279 | |
| 470 | A | B | -0.2316 | |
| 471 | G | B | -0.9812 | |
| 472 | A | B | -1.6920 | |
| 473 | N | B | -3.3712 | |
| 474 | D | B | -4.2353 | |
| 475 | R | B | -4.8944 | |
| 476 | E | B | -3.8484 | |
| 477 | T | B | -1.9737 | |
| 478 | G | B | -1.5685 | |
| 479 | G | B | -1.4466 | |
| 480 | Q | B | -1.6862 | |
| 481 | A | B | -1.1429 | |
| 482 | T | B | -1.2863 | |
| 483 | D | B | -2.0210 | |
| 484 | T | B | -0.5521 | |
| 485 | P | B | 0.3361 | |
| 486 | V | B | 2.1835 | |
| 487 | Y | B | 1.8764 | |
| 488 | N | B | 0.3089 | |
| 489 | F | B | 1.4018 | |
| 490 | N | B | -0.2878 | |
| 491 | S | B | -0.0576 | |
| 492 | L | B | 0.4957 | |
| 493 | N | B | -1.8477 | |
| 494 | N | B | -2.7399 | |
| 495 | R | B | -3.4625 | |
| 496 | R | B | -3.1793 | |
| 497 | Y | B | -1.1018 | |
| 498 | D | B | -2.3018 | |
| 499 | N | B | -1.9684 | |
| 500 | Y | B | -0.3954 | |
| 501 | D | B | -2.1138 | |
| 502 | S | B | -1.8777 | |
| 503 | D | B | -2.9835 | |
| 504 | S | B | -2.6487 | |
| 505 | E | B | -3.3384 | |
| 506 | D | B | -3.2851 | |
| 507 | R | B | -2.5547 | |
| 508 | I | B | -2.3333 | |
| 509 | D | B | -3.1755 | |
| 510 | N | B | -3.7652 | |
| 511 | D | B | -3.8933 | |
| 512 | Q | B | -3.5283 | |
| 513 | D | B | -2.3862 | |
| 514 | Q | B | -1.8303 | |
| 515 | A | B | -0.7057 | |
| 516 | I | B | 0.0773 | |
| 517 | R | B | -2.4900 | |
| 518 | E | B | -3.8975 | |
| 519 | N | B | -3.3291 | |
| 520 | R | B | -4.7445 | |
| 521 | G | B | -3.2338 | |
| 522 | E | B | -2.8498 | |
| 523 | P | B | -1.6850 | |
| 524 | G | B | -1.6272 | |
| 525 | Q | B | -2.1075 | |
| 526 | P | B | -2.3454 | |
| 527 | N | B | -3.0180 | |
| 528 | N | B | -3.0615 | |
| 529 | Q | B | -2.7001 | |
| 530 | T | B | -1.8274 | |
| 531 | S | B | -1.8214 | |
| 532 | E | B | -3.0923 | |
| 533 | N | B | -3.2671 | |
| 534 | Q | B | -3.1411 | |
| 535 | Q | B | -2.8873 | |
| 536 | R | B | -2.4465 | |
| 537 | L | B | -0.2662 | |
| 538 | N | B | -0.8689 | |
| 539 | L | B | 0.3020 | |
| 540 | P | B | 0.3008 | |
| 541 | V | B | 0.9606 | |
| 542 | P | B | -0.3294 | |
| 543 | Q | B | -0.4852 | |
| 544 | C | B | 0.0439 | |
| 545 | T | B | -0.1482 | |
| 546 | S | B | -0.3606 | |
| 547 | G | B | -0.6147 | |
| 548 | M | B | -0.9275 | |
| 549 | S | B | -1.3933 | |
| 550 | S | B | -1.8661 | |
| 551 | E | B | -3.2604 | |
| 552 | E | B | -3.0971 | |
| 553 | F | B | -2.0853 | |
| 554 | Q | B | -2.8607 | |
| 555 | H | B | -3.1184 | |
| 556 | S | B | -1.8055 | |
| 557 | M | B | -1.3856 | |
| 558 | N | B | -2.3334 | |
| 559 | Q | B | -2.1526 | |
| 560 | Y | B | -0.9007 | |
| 561 | I | B | -0.8726 | |
| 562 | R | B | -2.8101 | |
| 563 | A | B | -1.9472 | |
| 564 | M | B | -1.4393 | |
| 565 | H | B | -2.3683 | |
| 566 | E | B | -3.3360 | |
| 567 | Q | B | -2.6381 | |
| 568 | Y | B | -1.2860 | |
| 569 | R | B | -3.2433 | |
| 570 | G | B | -3.1879 | |
| 571 | S | B | -2.8341 | |
| 572 | Q | B | -3.5654 | |
| 573 | D | B | -4.4280 | |
| 574 | D | B | -4.4568 | |
| 575 | D | B | -4.0780 | |
| 576 | A | B | -3.0458 | |
| 577 | N | B | -3.5691 | |
| 578 | D | B | -4.0575 | |
| 579 | A | B | -2.4379 | |
| 580 | T | B | -2.9157 | |
| 581 | D | B | -3.1738 | |
| 582 | G | B | -2.3724 | |
| 583 | N | B | -2.1963 | |
| 584 | D | B | -1.4919 | |
| 585 | I | B | 0.9928 | |
| 586 | S | B | 0.7907 | |
| 587 | L | B | 1.5108 | |
| 588 | E | B | 0.1847 | |
| 589 | L | B | 1.6933 | |
| 590 | V | B | 1.7097 | |
| 591 | G | B | 0.1517 | |
| 592 | D | B | -1.1895 | |
| 593 | F | B | 0.3272 | |
| 594 | D | B | -1.6748 | |
| 595 | S | B | -1.2821 | |
| 596 | H | B | -1.9742 | |
| 597 | H | B | -2.0298 | |
| 598 | H | B | -2.1646 | |
| 599 | H | B | -2.2194 | |
| 600 | H | B | -2.0357 | |
| 601 | H | B | -1.6578 |
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 | -0.6431 | 5.2614 | View | CSV | PDB |
| 4.5 | -0.7178 | 5.1431 | View | CSV | PDB |
| 5.0 | -0.8099 | 5.0157 | View | CSV | PDB |
| 5.5 | -0.9047 | 4.8851 | View | CSV | PDB |
| 6.0 | -0.9885 | 4.7536 | View | CSV | PDB |
| 6.5 | -1.0524 | 4.6222 | View | CSV | PDB |
| 7.0 | -1.0961 | 4.4917 | View | CSV | PDB |
| 7.5 | -1.1253 | 4.3648 | View | CSV | PDB |
| 8.0 | -1.1451 | 4.2476 | View | CSV | PDB |
| 8.5 | -1.1558 | 4.1531 | View | CSV | PDB |
| 9.0 | -1.1536 | 4.1168 | 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