| Chain sequence(s) |
A: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDESLLTEVETPIRNEWGLTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSLSQLPRGRQPISDPFAGANDRETGGQATDTPVYNFNSLNNRRYDNYDSDSEDRIDNDQDQAIRENRGEPGQPNNQTSENQQRLNLPVPQCTSGMSSEEFQHSMNQYIRAMHEQYRGSQDDDANDATDGNDISLELVGDFDSHHHHHH
B: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDESLLTEVETPIRNEWGLTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSLSQLPRGRQPISDPFAGANDRETGGQATDTPVYNFNSLNNRRYDNYDSDSEDRIDNDQDQAIRENRGEPGQPNNQTSENQQRLNLPVPQCTSGMSSEEFQHSMNQYIRAMHEQYRGSQDDDANDATDGNDISLELVGDFDSHHHHHH 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 (00:19:35)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/587e9d8454bd62f/tmp/folded.pdb (00:19:35)
[INFO] Main: Simulation completed successfully. (00:29:49)
|
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 | 0.0844 | |
| 2 | S | A | 0.7548 | |
| 3 | V | A | 2.1329 | |
| 4 | L | A | 1.7831 | |
| 5 | K | A | -0.0944 | |
| 6 | T | A | 0.6601 | |
| 7 | F | A | 1.2535 | |
| 8 | E | A | -0.3279 | |
| 9 | R | A | -1.1187 | |
| 10 | F | A | 0.6537 | |
| 11 | T | A | -0.5641 | |
| 12 | I | A | -0.7264 | |
| 13 | Q | A | -1.9436 | |
| 14 | Q | A | -2.2337 | |
| 15 | E | A | -1.8619 | |
| 16 | L | A | -1.4916 | |
| 17 | Q | A | -3.1179 | |
| 18 | E | A | -3.6739 | |
| 19 | Q | A | -3.1846 | |
| 20 | S | A | -2.9910 | |
| 21 | E | A | -3.1770 | |
| 22 | D | A | -2.9474 | |
| 23 | T | A | -1.8528 | |
| 24 | P | A | 0.0732 | |
| 25 | I | A | 1.3705 | |
| 26 | P | A | 0.9016 | |
| 27 | L | A | 1.2458 | |
| 28 | E | A | -0.8097 | |
| 29 | T | A | -0.2755 | |
| 30 | I | A | 0.6031 | |
| 31 | R | A | -1.5343 | |
| 32 | P | A | -1.0520 | |
| 33 | T | A | -1.0853 | |
| 34 | I | A | 0.0000 | |
| 35 | R | A | -1.2586 | |
| 36 | V | A | 0.0000 | |
| 37 | F | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | N | A | -1.9197 | |
| 41 | N | A | -1.9306 | |
| 42 | N | A | -2.0401 | |
| 43 | D | A | -1.6653 | |
| 44 | P | A | -0.8632 | |
| 45 | V | A | 0.2658 | |
| 46 | V | A | -0.1149 | |
| 47 | R | A | 0.0000 | |
| 48 | S | A | 0.0000 | |
| 49 | R | A | -0.1219 | |
| 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 | -0.9065 | |
| 57 | I | A | 0.0000 | |
| 58 | I | A | 0.0000 | |
| 59 | M | A | 0.0000 | |
| 60 | S | A | 0.0000 | |
| 61 | N | A | -2.1212 | |
| 62 | T | A | -1.4651 | |
| 63 | A | A | 0.0000 | |
| 64 | R | A | -3.1438 | |
| 65 | E | A | -3.3546 | |
| 66 | G | A | -2.2224 | |
| 67 | H | A | -1.7609 | |
| 68 | R | A | -1.8401 | |
| 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 | -1.3408 | |
| 82 | A | A | -1.1454 | |
| 83 | M | A | 0.0000 | |
| 84 | S | A | -1.2498 | |
| 85 | N | A | -1.4306 | |
| 86 | H | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | K | A | -1.7782 | |
| 89 | L | A | -0.7293 | |
| 90 | A | A | 0.0000 | |
| 91 | M | A | -0.7640 | |
| 92 | H | A | -1.0753 | |
| 93 | S | A | 0.0000 | |
| 94 | P | A | -1.1890 | |
| 95 | E | A | -1.2888 | |
| 96 | A | A | 0.0000 | |
| 97 | S | A | -1.0960 | |
| 98 | I | A | 0.0000 | |
| 99 | D | A | -1.8143 | |
| 100 | R | A | -1.7246 | |
| 101 | V | A | 0.0000 | |
| 102 | E | A | 0.0000 | |
| 103 | I | A | 0.0000 | |
| 104 | T | A | -0.2854 | |
| 105 | G | A | 0.0000 | |
| 106 | F | A | -0.8077 | |
| 107 | E | A | -1.9830 | |
| 108 | N | A | -2.4470 | |
| 109 | N | A | -2.5310 | |
| 110 | S | A | -1.8570 | |
| 111 | F | A | 0.0000 | |
| 112 | R | A | -1.2606 | |
| 113 | V | A | 0.0000 | |
| 114 | I | A | 0.0556 | |
| 115 | P | A | -0.3862 | |
| 116 | D | A | -0.8232 | |
| 117 | A | A | -0.9247 | |
| 118 | R | A | -1.9411 | |
| 119 | T | A | -1.1493 | |
| 120 | S | A | -0.8642 | |
| 121 | T | A | -0.9208 | |
| 122 | M | A | 0.0000 | |
| 123 | S | A | -1.3233 | |
| 124 | R | A | -2.0660 | |
| 125 | G | A | -1.4594 | |
| 126 | E | A | -1.2495 | |
| 127 | V | A | 0.0000 | |
| 128 | L | A | -0.1847 | |
| 129 | A | A | -0.4734 | |
| 130 | F | A | 0.0000 | |
| 131 | E | A | -0.7704 | |
| 132 | A | A | -0.6810 | |
| 133 | L | A | -1.0541 | |
| 134 | A | A | 0.0000 | |
| 135 | E | A | -2.4190 | |
| 136 | D | A | -1.9181 | |
| 137 | I | A | 0.0000 | |
| 138 | P | A | -1.3848 | |
| 139 | D | A | -1.2827 | |
| 140 | E | A | -1.3183 | |
| 141 | S | A | -0.3806 | |
| 142 | L | A | 1.1511 | |
| 143 | L | A | 0.6517 | |
| 144 | T | A | -0.1112 | |
| 145 | E | A | -1.0696 | |
| 146 | V | A | 0.1253 | |
| 147 | E | A | -0.9488 | |
| 148 | T | A | -0.4089 | |
| 149 | P | A | -0.4247 | |
| 150 | I | A | 0.1534 | |
| 151 | R | A | -1.9209 | |
| 152 | N | A | -2.4817 | |
| 153 | E | A | -2.4445 | |
| 154 | W | A | -1.0547 | |
| 155 | G | A | -1.3714 | |
| 156 | L | A | -0.5837 | |
| 157 | T | A | -1.1659 | |
| 158 | L | A | 0.0000 | |
| 159 | N | A | -2.0158 | |
| 160 | H | A | -2.3812 | |
| 161 | Q | A | -2.3521 | |
| 162 | T | A | 0.0000 | |
| 163 | P | A | 0.0000 | |
| 164 | F | A | 0.0000 | |
| 165 | V | A | -0.1855 | |
| 166 | N | A | -1.5537 | |
| 167 | L | A | -0.8735 | |
| 168 | Q | A | -2.0427 | |
| 169 | N | A | -3.0133 | |
| 170 | D | A | -3.3322 | |
| 171 | V | A | 0.0000 | |
| 172 | E | A | -1.5936 | |
| 173 | D | A | -2.4732 | |
| 174 | D | A | -0.9500 | |
| 175 | I | A | 0.8949 | |
| 176 | F | A | 0.0000 | |
| 177 | D | A | -1.3773 | |
| 178 | E | A | -1.4205 | |
| 179 | T | A | -1.4233 | |
| 180 | E | A | -1.6476 | |
| 181 | K | A | -1.3090 | |
| 182 | F | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | D | A | -0.9501 | |
| 185 | V | A | 0.0000 | |
| 186 | C | A | 0.0000 | |
| 187 | Y | A | 0.0000 | |
| 188 | S | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | M | A | 0.0000 | |
| 192 | Q | A | 0.0000 | |
| 193 | A | A | 0.0000 | |
| 194 | W | A | 0.0000 | |
| 195 | I | A | 0.0000 | |
| 196 | V | A | 0.0000 | |
| 197 | T | A | 0.0000 | |
| 198 | C | A | -0.0248 | |
| 199 | K | A | -0.7680 | |
| 200 | C | A | 0.0000 | |
| 201 | M | A | -0.4796 | |
| 202 | T | A | -1.3744 | |
| 203 | A | A | -1.9699 | |
| 204 | P | A | -1.4721 | |
| 205 | D | A | -2.5033 | |
| 206 | Q | A | -2.1382 | |
| 207 | P | A | -0.8273 | |
| 208 | P | A | -0.3592 | |
| 209 | V | A | 0.9948 | |
| 210 | S | A | -0.2826 | |
| 211 | V | A | 0.0000 | |
| 212 | A | A | -0.1350 | |
| 213 | K | A | -1.0061 | |
| 214 | R | A | 0.0000 | |
| 215 | M | A | 0.0000 | |
| 216 | A | A | -1.0222 | |
| 217 | K | A | -1.3650 | |
| 218 | Y | A | 0.0000 | |
| 219 | Q | A | -1.2573 | |
| 220 | Q | A | -1.7928 | |
| 221 | Q | A | -1.5892 | |
| 222 | G | A | -1.3552 | |
| 223 | R | A | 0.0000 | |
| 224 | I | A | 0.0000 | |
| 225 | N | A | -0.5900 | |
| 226 | A | A | -0.0596 | |
| 227 | C | A | 0.5324 | |
| 228 | R | A | -0.6028 | |
| 229 | Y | A | 0.0000 | |
| 230 | V | A | 0.2096 | |
| 231 | L | A | 0.0000 | |
| 232 | Q | A | 0.0000 | |
| 233 | P | A | -0.1473 | |
| 234 | E | A | 0.0000 | |
| 235 | A | A | 0.0000 | |
| 236 | Q | A | -0.3430 | |
| 237 | R | A | -0.2257 | |
| 238 | L | A | 0.0000 | |
| 239 | I | A | 0.0000 | |
| 240 | Q | A | 0.0000 | |
| 241 | N | A | -1.2516 | |
| 242 | A | A | 0.0000 | |
| 243 | I | A | 0.0000 | |
| 244 | R | A | -1.9468 | |
| 245 | K | A | -2.5477 | |
| 246 | S | A | 0.0000 | |
| 247 | M | A | -0.8426 | |
| 248 | V | A | 0.0000 | |
| 249 | V | A | 0.0000 | |
| 250 | R | A | 0.0000 | |
| 251 | H | A | -0.1237 | |
| 252 | F | A | 0.0000 | |
| 253 | M | A | 0.0000 | |
| 254 | T | A | 0.0000 | |
| 255 | Y | A | 0.2628 | |
| 256 | E | A | 0.0000 | |
| 257 | L | A | 0.0000 | |
| 258 | Q | A | 0.0313 | |
| 259 | L | A | 0.0000 | |
| 260 | S | A | -0.0644 | |
| 261 | Q | A | -0.5800 | |
| 262 | S | A | -0.8655 | |
| 263 | R | A | -1.7221 | |
| 264 | S | A | -0.4821 | |
| 265 | L | A | 0.0000 | |
| 266 | L | A | -0.2703 | |
| 267 | A | A | -0.4077 | |
| 268 | N | A | -0.7592 | |
| 269 | R | A | -0.5542 | |
| 270 | Y | A | 0.0000 | |
| 271 | Y | A | 0.0000 | |
| 272 | A | A | 0.0000 | |
| 273 | M | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | G | A | -0.2910 | |
| 276 | D | A | 0.0000 | |
| 277 | I | A | 0.0000 | |
| 278 | G | A | 0.0000 | |
| 279 | K | A | -0.6816 | |
| 280 | Y | A | -0.6439 | |
| 281 | I | A | 0.0000 | |
| 282 | E | A | -0.5888 | |
| 283 | H | A | -0.6086 | |
| 284 | S | A | -0.9755 | |
| 285 | G | A | -0.9109 | |
| 286 | M | A | 0.0000 | |
| 287 | G | A | -0.9092 | |
| 288 | G | A | 0.0000 | |
| 289 | F | A | 0.0000 | |
| 290 | F | A | 0.0000 | |
| 291 | L | A | -0.3633 | |
| 292 | T | A | 0.0000 | |
| 293 | L | A | 0.0000 | |
| 294 | K | A | -1.3767 | |
| 295 | Y | A | -0.5995 | |
| 296 | G | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | G | A | 0.0000 | |
| 299 | T | A | 0.0000 | |
| 300 | R | A | -0.6404 | |
| 301 | W | A | 0.0000 | |
| 302 | P | A | -0.2725 | |
| 303 | T | A | 0.0718 | |
| 304 | L | A | 0.0000 | |
| 305 | A | A | 0.2348 | |
| 306 | L | A | 0.6183 | |
| 307 | A | A | 0.2672 | |
| 308 | A | A | 0.1982 | |
| 309 | F | A | 0.0000 | |
| 310 | S | A | -0.3147 | |
| 311 | G | A | -0.5968 | |
| 312 | E | A | -0.7154 | |
| 313 | L | A | -0.2858 | |
| 314 | Q | A | -0.6414 | |
| 315 | K | A | -0.9973 | |
| 316 | L | A | 0.0000 | |
| 317 | K | A | 0.0000 | |
| 318 | A | A | 0.0000 | |
| 319 | L | A | 0.0000 | |
| 320 | M | A | 0.0000 | |
| 321 | L | A | 0.1483 | |
| 322 | H | A | 0.0000 | |
| 323 | Y | A | 0.0000 | |
| 324 | Q | A | -0.3163 | |
| 325 | S | A | -0.5535 | |
| 326 | L | A | -0.3742 | |
| 327 | G | A | -0.3071 | |
| 328 | P | A | -0.4285 | |
| 329 | M | A | -0.0043 | |
| 330 | A | A | 0.0000 | |
| 331 | K | A | -0.5485 | |
| 332 | Y | A | 0.0000 | |
| 333 | M | A | 0.0000 | |
| 334 | A | A | -0.7208 | |
| 335 | L | A | 0.0000 | |
| 336 | L | A | -0.7034 | |
| 337 | E | A | -1.7409 | |
| 338 | S | A | -1.0217 | |
| 339 | P | A | -0.7505 | |
| 340 | K | A | -0.8983 | |
| 341 | L | A | -0.2827 | |
| 342 | M | A | 0.1568 | |
| 343 | D | A | -0.7777 | |
| 344 | F | A | 0.0000 | |
| 345 | V | A | 0.0543 | |
| 346 | P | A | 0.0000 | |
| 347 | S | A | -0.4553 | |
| 348 | E | A | -1.0545 | |
| 349 | Y | A | 0.0000 | |
| 350 | P | A | -0.2368 | |
| 351 | L | A | -0.0369 | |
| 352 | V | A | 0.0000 | |
| 353 | Y | A | 0.0000 | |
| 354 | S | A | 0.0000 | |
| 355 | Y | A | 0.0000 | |
| 356 | A | A | 0.0000 | |
| 357 | M | A | 0.0000 | |
| 358 | G | A | 0.0000 | |
| 359 | I | A | 0.0000 | |
| 360 | G | A | 0.0000 | |
| 361 | T | A | -0.3993 | |
| 362 | V | A | -0.1724 | |
| 363 | L | A | 0.0000 | |
| 364 | D | A | -0.4839 | |
| 365 | T | A | -0.9912 | |
| 366 | N | A | -1.7025 | |
| 367 | M | A | 0.0000 | |
| 368 | R | A | -2.4995 | |
| 369 | N | A | -2.4910 | |
| 370 | Y | A | 0.0000 | |
| 371 | A | A | -1.5209 | |
| 372 | Y | A | -0.7836 | |
| 373 | G | A | -0.6127 | |
| 374 | R | A | -1.2377 | |
| 375 | S | A | -0.6989 | |
| 376 | Y | A | -0.3272 | |
| 377 | L | A | 0.0000 | |
| 378 | N | A | -0.6042 | |
| 379 | P | A | -0.7732 | |
| 380 | Q | A | -1.2232 | |
| 381 | Y | A | -0.4560 | |
| 382 | F | A | -0.4165 | |
| 383 | Q | A | -0.9938 | |
| 384 | L | A | -0.5540 | |
| 385 | G | A | 0.0000 | |
| 386 | V | A | -1.0568 | |
| 387 | E | A | -1.9798 | |
| 388 | T | A | 0.0000 | |
| 389 | A | A | 0.0000 | |
| 390 | R | A | -2.9299 | |
| 391 | K | A | -3.0023 | |
| 392 | Q | A | -1.8110 | |
| 393 | Q | A | -1.4583 | |
| 394 | G | A | -1.1703 | |
| 395 | A | A | -0.8754 | |
| 396 | V | A | -0.6837 | |
| 397 | D | A | -1.8836 | |
| 398 | N | A | -3.0546 | |
| 399 | R | A | -3.6290 | |
| 400 | T | A | -2.6422 | |
| 401 | A | A | 0.0000 | |
| 402 | E | A | -3.8097 | |
| 403 | D | A | -3.6125 | |
| 404 | L | A | -2.2883 | |
| 405 | G | A | -2.1847 | |
| 406 | M | A | -1.4491 | |
| 407 | T | A | -0.8046 | |
| 408 | A | A | -0.5571 | |
| 409 | A | A | -0.8485 | |
| 410 | D | A | -1.4456 | |
| 411 | K | A | -1.4183 | |
| 412 | A | A | -1.1978 | |
| 413 | D | A | -2.1340 | |
| 414 | L | A | 0.0000 | |
| 415 | T | A | -1.0666 | |
| 416 | A | A | -1.2287 | |
| 417 | T | A | 0.0000 | |
| 418 | I | A | 0.0000 | |
| 419 | S | A | -0.9827 | |
| 420 | K | A | -1.4588 | |
| 421 | L | A | 0.0000 | |
| 422 | S | A | -0.2928 | |
| 423 | L | A | 0.8947 | |
| 424 | S | A | -0.0517 | |
| 425 | Q | A | -0.6192 | |
| 426 | L | A | 0.4480 | |
| 427 | P | A | -1.2698 | |
| 428 | R | A | -2.5521 | |
| 429 | G | A | -2.5060 | |
| 430 | R | A | -2.7000 | |
| 431 | Q | A | -2.0753 | |
| 432 | P | A | -0.7981 | |
| 433 | I | A | 0.5918 | |
| 434 | S | A | -0.3610 | |
| 435 | D | A | -1.0806 | |
| 436 | P | A | -0.4027 | |
| 437 | F | A | 0.1201 | |
| 438 | A | A | -0.8576 | |
| 439 | G | A | -1.4067 | |
| 440 | A | A | -1.5395 | |
| 441 | N | A | -2.9805 | |
| 442 | D | A | -3.9968 | |
| 443 | R | A | -4.1621 | |
| 444 | E | A | -3.7419 | |
| 445 | T | A | -2.1238 | |
| 446 | G | A | -1.6950 | |
| 447 | G | A | -1.4545 | |
| 448 | Q | A | -1.7246 | |
| 449 | A | A | -1.2399 | |
| 450 | T | A | -1.3536 | |
| 451 | D | A | -1.8323 | |
| 452 | T | A | -0.3711 | |
| 453 | P | A | 0.1977 | |
| 454 | V | A | 1.9146 | |
| 455 | Y | A | 1.8616 | |
| 456 | N | A | 0.3811 | |
| 457 | F | A | 1.5098 | |
| 458 | N | A | -0.2480 | |
| 459 | S | A | -0.2590 | |
| 460 | L | A | 0.2995 | |
| 461 | N | A | -1.8914 | |
| 462 | N | A | -2.7934 | |
| 463 | R | A | -3.3757 | |
| 464 | R | A | -3.2809 | |
| 465 | Y | A | -1.1358 | |
| 466 | D | A | -2.4300 | |
| 467 | N | A | -2.0476 | |
| 468 | Y | A | -0.8673 | |
| 469 | D | A | -2.4752 | |
| 470 | S | A | -1.9904 | |
| 471 | D | A | -2.4319 | |
| 472 | S | A | -2.0252 | |
| 473 | E | A | -1.9971 | |
| 474 | D | A | -2.7629 | |
| 475 | R | A | -2.6267 | |
| 476 | I | A | -2.1641 | |
| 477 | D | A | -2.9288 | |
| 478 | N | A | -3.3744 | |
| 479 | D | A | -3.4058 | |
| 480 | Q | A | -3.5264 | |
| 481 | D | A | -3.1949 | |
| 482 | Q | A | -2.2864 | |
| 483 | A | A | -0.8681 | |
| 484 | I | A | 0.1415 | |
| 485 | R | A | -2.1811 | |
| 486 | E | A | -2.7267 | |
| 487 | N | A | -3.1087 | |
| 488 | R | A | -3.6861 | |
| 489 | G | A | -2.7628 | |
| 490 | E | A | -2.6700 | |
| 491 | P | A | -1.7484 | |
| 492 | G | A | -1.5874 | |
| 493 | Q | A | -1.9079 | |
| 494 | P | A | -1.8393 | |
| 495 | N | A | -2.5531 | |
| 496 | N | A | -2.5595 | |
| 497 | Q | A | -2.3449 | |
| 498 | T | A | -1.4950 | |
| 499 | S | A | -1.8173 | |
| 500 | E | A | -3.0471 | |
| 501 | N | A | -3.2634 | |
| 502 | Q | A | -3.1874 | |
| 503 | Q | A | -3.0643 | |
| 504 | R | A | -2.7141 | |
| 505 | L | A | -0.8386 | |
| 506 | N | A | -1.0757 | |
| 507 | L | A | 0.2223 | |
| 508 | P | A | 0.3761 | |
| 509 | V | A | 1.4973 | |
| 510 | P | A | 0.0315 | |
| 511 | Q | A | -0.3906 | |
| 512 | C | A | 0.0838 | |
| 513 | T | A | -0.0993 | |
| 514 | S | A | -0.3338 | |
| 515 | G | A | -0.4728 | |
| 516 | M | A | -0.6226 | |
| 517 | S | A | -1.2341 | |
| 518 | S | A | -1.6789 | |
| 519 | E | A | -3.0211 | |
| 520 | E | A | -2.8777 | |
| 521 | F | A | -1.9319 | |
| 522 | Q | A | -2.9398 | |
| 523 | H | A | -2.9944 | |
| 524 | S | A | -1.9031 | |
| 525 | M | A | -1.3287 | |
| 526 | N | A | -2.6268 | |
| 527 | Q | A | -2.4143 | |
| 528 | Y | A | -0.8824 | |
| 529 | I | A | -1.0082 | |
| 530 | R | A | -2.8368 | |
| 531 | A | A | -1.6748 | |
| 532 | M | A | -1.2394 | |
| 533 | H | A | -2.1092 | |
| 534 | E | A | -3.0137 | |
| 535 | Q | A | -1.7449 | |
| 536 | Y | A | -0.9559 | |
| 537 | R | A | -2.8500 | |
| 538 | G | A | -2.7850 | |
| 539 | S | A | -2.6864 | |
| 540 | Q | A | -3.3176 | |
| 541 | D | A | -4.1705 | |
| 542 | D | A | -4.3954 | |
| 543 | D | A | -3.9134 | |
| 544 | A | A | -2.8654 | |
| 545 | N | A | -2.8281 | |
| 546 | D | A | -2.9013 | |
| 547 | A | A | -1.5036 | |
| 548 | T | A | -1.5957 | |
| 549 | D | A | -2.3133 | |
| 550 | G | A | -2.0755 | |
| 551 | N | A | -2.2107 | |
| 552 | D | A | -1.3353 | |
| 553 | I | A | 0.8542 | |
| 554 | S | A | 0.6628 | |
| 555 | L | A | 1.5248 | |
| 556 | E | A | 0.2461 | |
| 557 | L | A | 1.7334 | |
| 558 | V | A | 1.8164 | |
| 559 | G | A | -0.1794 | |
| 560 | D | A | -1.0513 | |
| 561 | F | A | 0.0845 | |
| 562 | D | A | -1.9104 | |
| 563 | S | A | -1.7776 | |
| 564 | H | A | -2.3226 | |
| 565 | H | A | -2.6325 | |
| 566 | H | A | -2.7010 | |
| 567 | H | A | -2.8097 | |
| 568 | H | A | -2.4518 | |
| 569 | H | A | -1.9225 | |
| 1 | S | B | -0.5150 | |
| 2 | S | B | -0.6283 | |
| 3 | V | B | -0.4557 | |
| 4 | L | B | -0.8907 | |
| 5 | K | B | -2.1123 | |
| 6 | T | B | -1.4117 | |
| 7 | F | B | -1.3953 | |
| 8 | E | B | -2.4343 | |
| 9 | R | B | -2.7592 | |
| 10 | F | B | 0.0000 | |
| 11 | T | B | -1.6725 | |
| 12 | I | B | -1.2241 | |
| 13 | Q | B | -1.5600 | |
| 14 | Q | B | -1.2797 | |
| 15 | E | B | -0.8111 | |
| 16 | L | B | -0.3669 | |
| 17 | Q | B | -1.6000 | |
| 18 | E | B | -1.6450 | |
| 19 | Q | B | -1.7645 | |
| 20 | S | B | -2.1660 | |
| 21 | E | B | -2.8794 | |
| 22 | D | B | -2.6918 | |
| 23 | T | B | -1.5438 | |
| 24 | P | B | -0.0665 | |
| 25 | I | B | 1.0777 | |
| 26 | P | B | 0.3995 | |
| 27 | L | B | -0.2777 | |
| 28 | E | B | -1.6608 | |
| 29 | T | B | 0.0000 | |
| 30 | I | B | 0.0000 | |
| 31 | R | B | -1.7568 | |
| 32 | P | B | 0.0000 | |
| 33 | T | B | -0.9498 | |
| 34 | I | B | 0.0000 | |
| 35 | R | B | -1.2322 | |
| 36 | V | B | 0.0000 | |
| 37 | F | B | 0.0000 | |
| 38 | V | B | 0.0000 | |
| 39 | I | B | 0.0000 | |
| 40 | N | B | -2.3217 | |
| 41 | N | B | -2.7570 | |
| 42 | N | B | -2.4373 | |
| 43 | D | B | -2.2110 | |
| 44 | P | B | -1.5543 | |
| 45 | V | B | 0.0140 | |
| 46 | V | B | -0.2348 | |
| 47 | R | B | 0.0000 | |
| 48 | S | B | 0.0000 | |
| 49 | R | B | -0.0669 | |
| 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 | -0.9430 | |
| 57 | I | B | 0.0000 | |
| 58 | I | B | 0.0000 | |
| 59 | M | B | 0.0000 | |
| 60 | S | B | 0.0000 | |
| 61 | N | B | -2.0402 | |
| 62 | T | B | -1.3782 | |
| 63 | A | B | 0.0000 | |
| 64 | R | B | -1.8957 | |
| 65 | E | B | -1.7257 | |
| 66 | G | B | -1.2784 | |
| 67 | H | B | -1.0228 | |
| 68 | R | B | -1.0487 | |
| 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 | -0.2441 | |
| 80 | S | B | -0.3820 | |
| 81 | A | B | -0.8393 | |
| 82 | A | B | -1.0593 | |
| 83 | M | B | 0.0000 | |
| 84 | S | B | -1.4880 | |
| 85 | N | B | -1.8332 | |
| 86 | H | B | -1.1540 | |
| 87 | I | B | 0.0000 | |
| 88 | K | B | -2.1542 | |
| 89 | L | B | -0.9078 | |
| 90 | A | B | 0.0000 | |
| 91 | M | B | -0.7618 | |
| 92 | H | B | -1.0028 | |
| 93 | S | B | 0.0000 | |
| 94 | P | B | -0.9383 | |
| 95 | E | B | -1.0035 | |
| 96 | A | B | 0.0000 | |
| 97 | S | B | -0.9194 | |
| 98 | I | B | 0.0000 | |
| 99 | D | B | -1.5553 | |
| 100 | R | B | -1.8154 | |
| 101 | V | B | 0.0000 | |
| 102 | E | B | 0.0000 | |
| 103 | I | B | 0.0000 | |
| 104 | T | B | -0.4110 | |
| 105 | G | B | 0.0000 | |
| 106 | F | B | -0.8236 | |
| 107 | E | B | -2.0520 | |
| 108 | N | B | -2.4886 | |
| 109 | N | B | -2.5621 | |
| 110 | S | B | -1.8834 | |
| 111 | F | B | 0.0000 | |
| 112 | R | B | -1.3233 | |
| 113 | V | B | 0.0000 | |
| 114 | I | B | 0.0810 | |
| 115 | P | B | -0.3527 | |
| 116 | D | B | -0.7853 | |
| 117 | A | B | -0.8866 | |
| 118 | R | B | -1.9313 | |
| 119 | T | B | -1.1572 | |
| 120 | S | B | -0.8170 | |
| 121 | T | B | -0.8287 | |
| 122 | M | B | -0.6595 | |
| 123 | S | B | -1.2733 | |
| 124 | R | B | -2.0661 | |
| 125 | G | B | -1.4674 | |
| 126 | E | B | -1.1491 | |
| 127 | V | B | 0.0000 | |
| 128 | L | B | -0.4091 | |
| 129 | A | B | -0.5752 | |
| 130 | F | B | 0.0000 | |
| 131 | E | B | -0.8894 | |
| 132 | A | B | -0.8174 | |
| 133 | L | B | 0.0000 | |
| 134 | A | B | 0.0000 | |
| 135 | E | B | -2.5010 | |
| 136 | D | B | -2.0119 | |
| 137 | I | B | 0.0000 | |
| 138 | P | B | -1.3383 | |
| 139 | D | B | -1.1385 | |
| 140 | E | B | -1.0902 | |
| 141 | S | B | -0.3470 | |
| 142 | L | B | 0.6945 | |
| 143 | L | B | 0.3451 | |
| 144 | T | B | -0.2474 | |
| 145 | E | B | -1.1372 | |
| 146 | V | B | 0.0774 | |
| 147 | E | B | -0.8412 | |
| 148 | T | B | -0.4747 | |
| 149 | P | B | -0.3897 | |
| 150 | I | B | 0.1470 | |
| 151 | R | B | -1.9022 | |
| 152 | N | B | -2.4460 | |
| 153 | E | B | -2.4385 | |
| 154 | W | B | -1.0218 | |
| 155 | G | B | -1.1868 | |
| 156 | L | B | -0.4240 | |
| 157 | T | B | -0.8084 | |
| 158 | L | B | 0.0000 | |
| 159 | N | B | -1.4677 | |
| 160 | H | B | -1.7711 | |
| 161 | Q | B | -2.0748 | |
| 162 | T | B | 0.0000 | |
| 163 | P | B | 0.0000 | |
| 164 | F | B | 0.0000 | |
| 165 | V | B | 0.1721 | |
| 166 | N | B | -0.5174 | |
| 167 | L | B | -0.1341 | |
| 168 | Q | B | -1.4987 | |
| 169 | N | B | -2.7085 | |
| 170 | D | B | -3.2460 | |
| 171 | V | B | 0.0000 | |
| 172 | E | B | 0.0000 | |
| 173 | D | B | -2.4482 | |
| 174 | D | B | -0.8671 | |
| 175 | I | B | 0.7511 | |
| 176 | F | B | 0.0000 | |
| 177 | D | B | -2.2552 | |
| 178 | E | B | -3.0189 | |
| 179 | T | B | -2.6418 | |
| 180 | E | B | -3.0889 | |
| 181 | K | B | -2.3547 | |
| 182 | F | B | 0.0000 | |
| 183 | L | B | -1.3248 | |
| 184 | D | B | -1.4807 | |
| 185 | V | B | 0.0000 | |
| 186 | C | B | 0.0000 | |
| 187 | Y | B | -0.3894 | |
| 188 | S | B | 0.0000 | |
| 189 | V | B | 0.0000 | |
| 190 | L | B | 0.0000 | |
| 191 | M | B | 0.0000 | |
| 192 | Q | B | 0.0000 | |
| 193 | A | B | 0.0000 | |
| 194 | W | B | 0.0000 | |
| 195 | I | B | 0.0000 | |
| 196 | V | B | 0.0000 | |
| 197 | T | B | 0.0000 | |
| 198 | C | B | -0.0987 | |
| 199 | K | B | -0.5303 | |
| 200 | C | B | 0.0000 | |
| 201 | M | B | -0.1927 | |
| 202 | T | B | -0.7095 | |
| 203 | A | B | -1.2754 | |
| 204 | P | B | -1.5455 | |
| 205 | D | B | -2.4058 | |
| 206 | Q | B | -1.6856 | |
| 207 | P | B | -0.7982 | |
| 208 | P | B | -0.5275 | |
| 209 | V | B | 0.3047 | |
| 210 | S | B | -0.7174 | |
| 211 | V | B | 0.0000 | |
| 212 | A | B | -0.5747 | |
| 213 | K | B | -1.6546 | |
| 214 | R | B | -1.2168 | |
| 215 | M | B | 0.0000 | |
| 216 | A | B | -1.5083 | |
| 217 | K | B | -1.8983 | |
| 218 | Y | B | 0.0000 | |
| 219 | Q | B | -1.8977 | |
| 220 | Q | B | -2.3190 | |
| 221 | Q | B | -2.2119 | |
| 222 | G | B | -1.9062 | |
| 223 | R | B | -1.7487 | |
| 224 | I | B | 0.0000 | |
| 225 | N | B | -0.8748 | |
| 226 | A | B | -0.2303 | |
| 227 | C | B | 0.3863 | |
| 228 | R | B | -0.5122 | |
| 229 | Y | B | 0.0000 | |
| 230 | V | B | 0.1834 | |
| 231 | L | B | 0.0000 | |
| 232 | Q | B | 0.0000 | |
| 233 | P | B | -0.1123 | |
| 234 | E | B | 0.0000 | |
| 235 | A | B | 0.0000 | |
| 236 | Q | B | -0.3736 | |
| 237 | R | B | -0.2952 | |
| 238 | L | B | -0.1970 | |
| 239 | I | B | 0.0000 | |
| 240 | Q | B | -0.5955 | |
| 241 | N | B | -0.9103 | |
| 242 | A | B | 0.0000 | |
| 243 | I | B | 0.0000 | |
| 244 | R | B | -1.0639 | |
| 245 | K | B | -1.4704 | |
| 246 | S | B | 0.0000 | |
| 247 | M | B | 0.0000 | |
| 248 | V | B | 0.0000 | |
| 249 | V | B | 0.0000 | |
| 250 | R | B | 0.0000 | |
| 251 | H | B | 0.0000 | |
| 252 | F | B | 0.0000 | |
| 253 | M | B | 0.0000 | |
| 254 | T | B | 0.0000 | |
| 255 | Y | B | 0.1723 | |
| 256 | E | B | 0.0000 | |
| 257 | L | B | 0.0000 | |
| 258 | Q | B | -0.3889 | |
| 259 | L | B | -0.0789 | |
| 260 | S | B | -0.6629 | |
| 261 | Q | B | -0.9509 | |
| 262 | S | B | -0.8367 | |
| 263 | R | B | -1.4698 | |
| 264 | S | B | -0.0363 | |
| 265 | L | B | 1.5848 | |
| 266 | L | B | 1.5407 | |
| 267 | A | B | -0.0058 | |
| 268 | N | B | -1.4385 | |
| 269 | R | B | -2.0315 | |
| 270 | Y | B | 0.0000 | |
| 271 | Y | B | -0.6698 | |
| 272 | A | B | -0.7249 | |
| 273 | M | B | 0.0000 | |
| 274 | V | B | 0.0000 | |
| 275 | G | B | -1.1668 | |
| 276 | D | B | -1.5034 | |
| 277 | I | B | 0.0000 | |
| 278 | G | B | 0.0000 | |
| 279 | K | B | -1.9444 | |
| 280 | Y | B | -0.7299 | |
| 281 | I | B | 0.0000 | |
| 282 | E | B | 0.0000 | |
| 283 | H | B | -0.7755 | |
| 284 | S | B | -0.6465 | |
| 285 | G | B | -0.4931 | |
| 286 | M | B | 0.0000 | |
| 287 | G | B | -0.1291 | |
| 288 | G | B | 0.0000 | |
| 289 | F | B | 0.0000 | |
| 290 | F | B | 0.0986 | |
| 291 | L | B | -0.1051 | |
| 292 | T | B | 0.0000 | |
| 293 | L | B | -0.4400 | |
| 294 | K | B | -1.5789 | |
| 295 | Y | B | 0.0000 | |
| 296 | G | B | 0.0000 | |
| 297 | L | B | -0.7245 | |
| 298 | G | B | -1.2509 | |
| 299 | T | B | -1.3963 | |
| 300 | R | B | -2.3394 | |
| 301 | W | B | -0.9933 | |
| 302 | P | B | -1.2605 | |
| 303 | T | B | 0.0000 | |
| 304 | L | B | 0.0000 | |
| 305 | A | B | 0.0000 | |
| 306 | L | B | 0.0000 | |
| 307 | A | B | 0.0000 | |
| 308 | A | B | 0.0000 | |
| 309 | F | B | 0.0000 | |
| 310 | S | B | 0.0000 | |
| 311 | G | B | -0.9128 | |
| 312 | E | B | -0.7838 | |
| 313 | L | B | -0.4024 | |
| 314 | Q | B | -0.8916 | |
| 315 | K | B | -1.0097 | |
| 316 | L | B | 0.0000 | |
| 317 | K | B | -0.9294 | |
| 318 | A | B | 0.0000 | |
| 319 | L | B | 0.0000 | |
| 320 | M | B | 0.0201 | |
| 321 | L | B | 0.2252 | |
| 322 | H | B | 0.0000 | |
| 323 | Y | B | -0.2665 | |
| 324 | Q | B | -0.8455 | |
| 325 | S | B | -0.4988 | |
| 326 | L | B | -0.5531 | |
| 327 | G | B | -0.5917 | |
| 328 | P | B | -0.6392 | |
| 329 | M | B | -0.3691 | |
| 330 | A | B | 0.0000 | |
| 331 | K | B | -0.9985 | |
| 332 | Y | B | 0.0000 | |
| 333 | M | B | 0.0000 | |
| 334 | A | B | -0.3572 | |
| 335 | L | B | 0.0000 | |
| 336 | L | B | 0.0000 | |
| 337 | E | B | -0.5219 | |
| 338 | S | B | 0.0000 | |
| 339 | P | B | -0.2502 | |
| 340 | K | B | -0.3268 | |
| 341 | L | B | 0.0447 | |
| 342 | M | B | -0.2350 | |
| 343 | D | B | -0.3137 | |
| 344 | F | B | 0.0000 | |
| 345 | V | B | -0.1843 | |
| 346 | P | B | 0.0000 | |
| 347 | S | B | -0.8280 | |
| 348 | E | B | -0.6349 | |
| 349 | Y | B | 0.0000 | |
| 350 | P | B | 0.0000 | |
| 351 | L | B | 0.0000 | |
| 352 | V | B | 0.0000 | |
| 353 | Y | B | 0.0000 | |
| 354 | S | B | 0.0000 | |
| 355 | Y | B | 0.0000 | |
| 356 | A | B | 0.0000 | |
| 357 | M | B | 0.0000 | |
| 358 | G | B | 0.0000 | |
| 359 | I | B | 0.0000 | |
| 360 | G | B | 0.0000 | |
| 361 | T | B | 0.0000 | |
| 362 | V | B | -0.1861 | |
| 363 | L | B | 0.0734 | |
| 364 | D | B | -0.2300 | |
| 365 | T | B | -0.7787 | |
| 366 | N | B | -2.1128 | |
| 367 | M | B | 0.0000 | |
| 368 | R | B | -2.6116 | |
| 369 | N | B | -2.8718 | |
| 370 | Y | B | -1.4540 | |
| 371 | A | B | -0.7655 | |
| 372 | Y | B | -0.7305 | |
| 373 | G | B | -0.8012 | |
| 374 | R | B | -1.5010 | |
| 375 | S | B | -1.2818 | |
| 376 | Y | B | 0.0000 | |
| 377 | L | B | 0.0000 | |
| 378 | N | B | -0.4568 | |
| 379 | P | B | -0.3237 | |
| 380 | Q | B | -0.6924 | |
| 381 | Y | B | 0.0000 | |
| 382 | F | B | -0.3896 | |
| 383 | Q | B | -0.9740 | |
| 384 | L | B | 0.0000 | |
| 385 | G | B | 0.0000 | |
| 386 | V | B | -0.9211 | |
| 387 | E | B | -1.8939 | |
| 388 | T | B | 0.0000 | |
| 389 | A | B | 0.0000 | |
| 390 | R | B | -2.8268 | |
| 391 | K | B | -2.5934 | |
| 392 | Q | B | -1.9819 | |
| 393 | Q | B | -1.7832 | |
| 394 | G | B | -1.3184 | |
| 395 | A | B | -1.1416 | |
| 396 | V | B | -1.5558 | |
| 397 | D | B | -3.2556 | |
| 398 | N | B | -3.6487 | |
| 399 | R | B | -3.9340 | |
| 400 | T | B | -2.7658 | |
| 401 | A | B | 0.0000 | |
| 402 | E | B | -3.6364 | |
| 403 | D | B | -2.9445 | |
| 404 | L | B | -0.7186 | |
| 405 | G | B | -1.3614 | |
| 406 | M | B | -1.1981 | |
| 407 | T | B | -0.7459 | |
| 408 | A | B | -0.5564 | |
| 409 | A | B | -0.8638 | |
| 410 | D | B | -1.5110 | |
| 411 | K | B | -1.3632 | |
| 412 | A | B | -0.9809 | |
| 413 | D | B | -1.8689 | |
| 414 | L | B | -0.6748 | |
| 415 | T | B | -0.6576 | |
| 416 | A | B | -0.8013 | |
| 417 | T | B | -0.3391 | |
| 418 | I | B | 0.0558 | |
| 419 | S | B | -0.5896 | |
| 420 | K | B | -0.6851 | |
| 421 | L | B | 0.7766 | |
| 422 | S | B | 0.2837 | |
| 423 | L | B | 1.3205 | |
| 424 | S | B | 0.4014 | |
| 425 | Q | B | -0.3055 | |
| 426 | L | B | 0.5977 | |
| 427 | P | B | -1.3397 | |
| 428 | R | B | -2.6056 | |
| 429 | G | B | -2.5108 | |
| 430 | R | B | -2.6949 | |
| 431 | Q | B | -2.2357 | |
| 432 | P | B | -0.7613 | |
| 433 | I | B | 0.6305 | |
| 434 | S | B | -0.1554 | |
| 435 | D | B | -0.6870 | |
| 436 | P | B | 0.0724 | |
| 437 | F | B | 0.9123 | |
| 438 | A | B | -0.2486 | |
| 439 | G | B | -1.1902 | |
| 440 | A | B | -1.2250 | |
| 441 | N | B | -2.8985 | |
| 442 | D | B | -3.9806 | |
| 443 | R | B | -4.1285 | |
| 444 | E | B | -3.7065 | |
| 445 | T | B | -2.1014 | |
| 446 | G | B | -1.6401 | |
| 447 | G | B | -1.4503 | |
| 448 | Q | B | -1.7017 | |
| 449 | A | B | -1.1727 | |
| 450 | T | B | -1.2702 | |
| 451 | D | B | -2.3148 | |
| 452 | T | B | -0.4754 | |
| 453 | P | B | -0.1439 | |
| 454 | V | B | 2.0166 | |
| 455 | Y | B | 1.8664 | |
| 456 | N | B | 0.3672 | |
| 457 | F | B | 1.4335 | |
| 458 | N | B | -0.3107 | |
| 459 | S | B | -0.2083 | |
| 460 | L | B | 0.5096 | |
| 461 | N | B | -1.5225 | |
| 462 | N | B | -2.8461 | |
| 463 | R | B | -3.4560 | |
| 464 | R | B | -3.0744 | |
| 465 | Y | B | -0.9580 | |
| 466 | D | B | -2.4057 | |
| 467 | N | B | -1.9030 | |
| 468 | Y | B | -0.5432 | |
| 469 | D | B | -2.1299 | |
| 470 | S | B | -1.9551 | |
| 471 | D | B | -2.9079 | |
| 472 | S | B | -2.7563 | |
| 473 | E | B | -3.8243 | |
| 474 | D | B | -3.8365 | |
| 475 | R | B | -3.6919 | |
| 476 | I | B | -2.4385 | |
| 477 | D | B | -3.4761 | |
| 478 | N | B | -4.1765 | |
| 479 | D | B | -4.1454 | |
| 480 | Q | B | -4.3251 | |
| 481 | D | B | -3.3586 | |
| 482 | Q | B | -2.2651 | |
| 483 | A | B | -0.9624 | |
| 484 | I | B | -0.1190 | |
| 485 | R | B | -2.4867 | |
| 486 | E | B | -3.3054 | |
| 487 | N | B | -3.5939 | |
| 488 | R | B | -4.1686 | |
| 489 | G | B | -3.0231 | |
| 490 | E | B | -2.9445 | |
| 491 | P | B | -1.6807 | |
| 492 | G | B | -1.5612 | |
| 493 | Q | B | -2.0282 | |
| 494 | P | B | -1.9548 | |
| 495 | N | B | -2.5292 | |
| 496 | N | B | -2.6265 | |
| 497 | Q | B | -2.1861 | |
| 498 | T | B | -1.5103 | |
| 499 | S | B | -1.8341 | |
| 500 | E | B | -3.7537 | |
| 501 | N | B | -4.0233 | |
| 502 | Q | B | -3.8968 | |
| 503 | Q | B | -3.7951 | |
| 504 | R | B | -3.2069 | |
| 505 | L | B | -1.6342 | |
| 506 | N | B | -1.2394 | |
| 507 | L | B | -0.0133 | |
| 508 | P | B | 0.6619 | |
| 509 | V | B | 1.5124 | |
| 510 | P | B | 0.1822 | |
| 511 | Q | B | -0.5702 | |
| 512 | C | B | -0.3384 | |
| 513 | T | B | -0.2408 | |
| 514 | S | B | -0.2843 | |
| 515 | G | B | -0.4528 | |
| 516 | M | B | -0.5621 | |
| 517 | S | B | -1.4007 | |
| 518 | S | B | -1.7818 | |
| 519 | E | B | -3.1697 | |
| 520 | E | B | -3.0022 | |
| 521 | F | B | -2.0881 | |
| 522 | Q | B | -2.7037 | |
| 523 | H | B | -2.8874 | |
| 524 | S | B | -1.8424 | |
| 525 | M | B | -1.0399 | |
| 526 | N | B | -2.1348 | |
| 527 | Q | B | -1.8633 | |
| 528 | Y | B | -0.4860 | |
| 529 | I | B | -0.5274 | |
| 530 | R | B | -2.4248 | |
| 531 | A | B | -1.2055 | |
| 532 | M | B | -0.9146 | |
| 533 | H | B | -1.8279 | |
| 534 | E | B | -2.9732 | |
| 535 | Q | B | -2.2920 | |
| 536 | Y | B | -1.2853 | |
| 537 | R | B | -2.9858 | |
| 538 | G | B | -3.6129 | |
| 539 | S | B | -3.4042 | |
| 540 | Q | B | -3.8918 | |
| 541 | D | B | -4.4645 | |
| 542 | D | B | -4.3972 | |
| 543 | D | B | -3.7571 | |
| 544 | A | B | -2.6705 | |
| 545 | N | B | -2.7440 | |
| 546 | D | B | -2.7676 | |
| 547 | A | B | -1.6464 | |
| 548 | T | B | -1.5559 | |
| 549 | D | B | -2.5673 | |
| 550 | G | B | -2.0738 | |
| 551 | N | B | -2.1730 | |
| 552 | D | B | -1.2623 | |
| 553 | I | B | 0.7972 | |
| 554 | S | B | 0.5118 | |
| 555 | L | B | 1.6834 | |
| 556 | E | B | 0.3968 | |
| 557 | L | B | 1.7778 | |
| 558 | V | B | 1.5727 | |
| 559 | G | B | -0.2750 | |
| 560 | D | B | -1.3677 | |
| 561 | F | B | 0.0893 | |
| 562 | D | B | -1.9787 | |
| 563 | S | B | -1.5027 | |
| 564 | H | B | -2.4194 | |
| 565 | H | B | -2.5656 | |
| 566 | H | B | -2.5225 | |
| 567 | H | B | -2.5372 | |
| 568 | H | B | -2.1689 | |
| 569 | H | B | -1.6564 |
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 | -0.5612 | 5.2165 | View | CSV | PDB |
| 4.5 | -0.6436 | 5.0856 | View | CSV | PDB |
| 5.0 | -0.7454 | 4.9495 | View | CSV | PDB |
| 5.5 | -0.8516 | 4.8119 | View | CSV | PDB |
| 6.0 | -0.9488 | 4.674 | View | CSV | PDB |
| 6.5 | -1.0281 | 4.5367 | View | CSV | PDB |
| 7.0 | -1.0884 | 4.4018 | View | CSV | PDB |
| 7.5 | -1.1356 | 4.2739 | View | CSV | PDB |
| 8.0 | -1.1744 | 4.1639 | View | CSV | PDB |
| 8.5 | -1.2042 | 4.1291 | View | CSV | PDB |
| 9.0 | -1.2208 | 4.1283 | 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