| Chain sequence(s) |
A: MSPRPHAFALLLLLAAVPGLRAAATLDESGGGLVSPGGSLTLVCKGSGFTFSSYGVSWVRQAPGKGLEWVAGITDSGGSTYYAPAVKGRFTISRNNGQSTATLQMNSLKAEDTATYYCAKGAYGGIRSSDIDLWGHGTEVAVSSGSPTAPSVFPISSCCGSTQQQPVVGCLATGYIPGPVTFSWSGASGATSVTVPETHGVGPHKRASFLRPPHAGAGDFFTCSVNHQATRTSLTQNVEGCVAGGEPTPPEVQVLHSSVCSTLGDDSVELLCVITGFSPPPVEVEWLVDGAPAHLVATMTRPQREAGSKTYMATSQTNVSREDWKAGKAFTCRVKHPATGGTAQGHARFCPGSGAQSCSPIQIFVVPPSPGSLYIRQDAKVHCLVVNLPSDASLSISWTREKSGALRPDPMVLTEHFNGTFTASSSLAISTQDWLAGERFTCTVQHEDLPVPLGKSIAKHAGKVTAPYIFTFPPHAEELSLAEVTLTCLVRGFQPEHVEVQWLRNHNSVPAAEFVTTPPLKEPNGDGTFFLYSKMTVPKASWQGGVSYACMVVHEGLPMRFTQRPLQKTPGK
B: MSPRPHAFALLLLLAAVPGLRAAATLDESGGGLVSPGGSLTLVCKGSGFTFSSYGVSWVRQAPGKGLEWVAGITDSGGSTYYAPAVKGRFTISRNNGQSTATLQMNSLKAEDTATYYCAKGAYGGIRSSDIDLWGHGTEVAVSSGSPTAPSVFPISSCCGSTQQQPVVGCLATGYIPGPVTFSWSGASGATSVTVPETHGVGPHKRASFLRPPHAGAGDFFTCSVNHQATRTSLTQNVEGCVAGGEPTPPEVQVLHSSVCSTLGDDSVELLCVITGFSPPPVEVEWLVDGAPAHLVATMTRPQREAGSKTYMATSQTNVSREDWKAGKAFTCRVKHPATGGTAQGHARFCPGSGAQSCSPIQIFVVPPSPGSLYIRQDAKVHCLVVNLPSDASLSISWTREKSGALRPDPMVLTEHFNGTFTASSSLAISTQDWLAGERFTCTVQHEDLPVPLGKSIAKHAGKVTAPYIFTFPPHAEELSLAEVTLTCLVRGFQPEHVEVQWLRNHNSVPAAEFVTTPPLKEPNGDGTFFLYSKMTVPKASWQGGVSYACMVVHEGLPMRFTQRPLQKTPGK 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 globular. Max 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 (00:11:41)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d44109c7f468ce2/tmp/folded.pdb (00:11:41)
[INFO] Main: Simulation completed successfully. (00:17:18)
|
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 | M | A | 0.6266 | |
| 2 | S | A | -0.3546 | |
| 3 | P | A | -1.1918 | |
| 4 | R | A | -2.2705 | |
| 5 | P | A | -1.4450 | |
| 6 | H | A | -1.0585 | |
| 7 | A | A | 0.4314 | |
| 8 | F | A | 2.3691 | |
| 9 | A | A | 2.3377 | |
| 10 | L | A | 3.6266 | |
| 11 | L | A | 4.0623 | |
| 12 | L | A | 4.0434 | |
| 13 | L | A | 3.7934 | |
| 14 | L | A | 3.3789 | |
| 15 | A | A | 2.0733 | |
| 16 | A | A | 1.4881 | |
| 17 | V | A | 2.0921 | |
| 18 | P | A | 0.4931 | |
| 19 | G | A | 0.1667 | |
| 20 | L | A | 0.6791 | |
| 21 | R | A | -1.2242 | |
| 22 | A | A | -0.4553 | |
| 23 | A | A | -0.1850 | |
| 24 | A | A | -0.1520 | |
| 25 | T | A | -0.5968 | |
| 26 | L | A | 0.0000 | |
| 27 | D | A | -2.0242 | |
| 28 | E | A | 0.0000 | |
| 29 | S | A | -0.9369 | |
| 30 | G | A | -0.4395 | |
| 31 | G | A | -0.4732 | |
| 32 | G | A | -0.3079 | |
| 33 | L | A | 0.1341 | |
| 34 | V | A | -0.2163 | |
| 35 | S | A | -0.6563 | |
| 36 | P | A | -1.2560 | |
| 37 | G | A | -1.2153 | |
| 38 | G | A | -0.8899 | |
| 39 | S | A | -0.9802 | |
| 40 | L | A | -0.4201 | |
| 41 | T | A | -0.4032 | |
| 42 | L | A | 0.0000 | |
| 43 | V | A | -0.2534 | |
| 44 | C | A | 0.0000 | |
| 45 | K | A | -2.2567 | |
| 46 | G | A | 0.0000 | |
| 47 | S | A | -0.6225 | |
| 48 | G | A | -0.3061 | |
| 49 | F | A | -0.1242 | |
| 50 | T | A | -0.0905 | |
| 51 | F | A | 0.0000 | |
| 52 | S | A | -0.7779 | |
| 53 | S | A | -0.4256 | |
| 54 | Y | A | 0.0000 | |
| 55 | G | A | 0.0000 | |
| 56 | V | A | 0.0000 | |
| 57 | S | A | 0.0000 | |
| 58 | W | A | 0.0000 | |
| 59 | V | A | 0.0000 | |
| 60 | R | A | 0.0000 | |
| 61 | Q | A | -0.4052 | |
| 62 | A | A | -1.0548 | |
| 63 | P | A | -0.9132 | |
| 64 | G | A | -1.2258 | |
| 65 | K | A | -1.9198 | |
| 66 | G | A | -0.8212 | |
| 67 | L | A | 0.5000 | |
| 68 | E | A | -0.2989 | |
| 69 | W | A | 0.2931 | |
| 70 | V | A | 0.0000 | |
| 71 | A | A | 0.0000 | |
| 72 | G | A | 0.0000 | |
| 73 | I | A | 0.0000 | |
| 74 | T | A | 0.0000 | |
| 75 | D | A | -0.6891 | |
| 76 | S | A | -0.7893 | |
| 77 | G | A | -0.8537 | |
| 78 | G | A | -0.7365 | |
| 79 | S | A | -0.4684 | |
| 80 | T | A | -0.2122 | |
| 81 | Y | A | -0.4626 | |
| 82 | Y | A | -0.8391 | |
| 83 | A | A | 0.0000 | |
| 84 | P | A | -1.3379 | |
| 85 | A | A | -1.0167 | |
| 86 | V | A | 0.0000 | |
| 87 | K | A | -2.2181 | |
| 88 | G | A | -1.6225 | |
| 89 | R | A | -1.6073 | |
| 90 | F | A | 0.0000 | |
| 91 | T | A | -0.8666 | |
| 92 | I | A | 0.0000 | |
| 93 | S | A | -0.5763 | |
| 94 | R | A | -1.2527 | |
| 95 | N | A | -1.8877 | |
| 96 | N | A | -1.8067 | |
| 97 | G | A | -1.5551 | |
| 98 | Q | A | -2.1242 | |
| 99 | S | A | -1.6436 | |
| 100 | T | A | -1.5984 | |
| 101 | A | A | 0.0000 | |
| 102 | T | A | -0.4037 | |
| 103 | L | A | 0.0000 | |
| 104 | Q | A | -0.8442 | |
| 105 | M | A | 0.0000 | |
| 106 | N | A | -1.8412 | |
| 107 | S | A | -1.3540 | |
| 108 | L | A | 0.0000 | |
| 109 | K | A | -2.0171 | |
| 110 | A | A | -1.4590 | |
| 111 | E | A | -2.1631 | |
| 112 | D | A | 0.0000 | |
| 113 | T | A | 0.0000 | |
| 114 | A | A | 0.0000 | |
| 115 | T | A | -0.2268 | |
| 116 | Y | A | 0.0000 | |
| 117 | Y | A | -0.0566 | |
| 118 | C | A | 0.0000 | |
| 119 | A | A | 0.0000 | |
| 120 | K | A | 0.0000 | |
| 121 | G | A | -0.4034 | |
| 122 | A | A | -0.6137 | |
| 123 | Y | A | -0.2472 | |
| 124 | G | A | 0.0000 | |
| 125 | G | A | -0.4799 | |
| 126 | I | A | -0.2404 | |
| 127 | R | A | -0.9142 | |
| 128 | S | A | -0.5268 | |
| 129 | S | A | -0.7818 | |
| 130 | D | A | -1.1034 | |
| 131 | I | A | -0.6655 | |
| 132 | D | A | -1.4905 | |
| 133 | L | A | -0.3497 | |
| 134 | W | A | -0.1218 | |
| 135 | G | A | -0.8566 | |
| 136 | H | A | -1.2552 | |
| 137 | G | A | -0.8186 | |
| 138 | T | A | -0.9010 | |
| 139 | E | A | -0.6579 | |
| 140 | V | A | 0.0000 | |
| 141 | A | A | 0.0000 | |
| 142 | V | A | 0.0000 | |
| 143 | S | A | -0.5644 | |
| 144 | S | A | -0.7374 | |
| 145 | G | A | -0.7618 | |
| 146 | S | A | -0.6058 | |
| 147 | P | A | -0.4728 | |
| 148 | T | A | -0.3223 | |
| 149 | A | A | -0.6394 | |
| 150 | P | A | 0.0000 | |
| 151 | S | A | 0.2080 | |
| 152 | V | A | 0.4991 | |
| 153 | F | A | 0.7179 | |
| 154 | P | A | -0.1018 | |
| 155 | I | A | 0.0000 | |
| 156 | S | A | 0.0029 | |
| 157 | S | A | -0.4381 | |
| 158 | C | A | 0.0000 | |
| 159 | C | A | 0.0468 | |
| 160 | G | A | -0.4886 | |
| 161 | S | A | -1.2419 | |
| 162 | T | A | -1.1913 | |
| 163 | Q | A | -2.0465 | |
| 164 | Q | A | -2.0597 | |
| 165 | Q | A | -1.8526 | |
| 166 | P | A | -1.2285 | |
| 167 | V | A | -0.5126 | |
| 168 | V | A | 0.0000 | |
| 169 | G | A | 0.0000 | |
| 170 | C | A | 0.0000 | |
| 171 | L | A | 0.0000 | |
| 172 | A | A | 0.0000 | |
| 173 | T | A | 0.0000 | |
| 174 | G | A | -0.4161 | |
| 175 | Y | A | 0.0000 | |
| 176 | I | A | -0.1636 | |
| 177 | P | A | -0.2585 | |
| 178 | G | A | -0.6452 | |
| 179 | P | A | -0.8703 | |
| 180 | V | A | 0.0000 | |
| 181 | T | A | -0.6995 | |
| 182 | F | A | -0.0431 | |
| 183 | S | A | -0.3066 | |
| 184 | W | A | -0.3032 | |
| 185 | S | A | -0.3691 | |
| 186 | G | A | -0.4713 | |
| 187 | A | A | -0.6777 | |
| 188 | S | A | -0.6036 | |
| 189 | G | A | -0.8392 | |
| 190 | A | A | -0.9781 | |
| 191 | T | A | -0.3436 | |
| 192 | S | A | 0.3001 | |
| 193 | V | A | 1.2470 | |
| 194 | T | A | 0.9226 | |
| 195 | V | A | 0.9809 | |
| 196 | P | A | -0.1039 | |
| 197 | E | A | -0.7872 | |
| 198 | T | A | -0.7488 | |
| 199 | H | A | -1.1573 | |
| 200 | G | A | -0.2964 | |
| 201 | V | A | 0.7194 | |
| 202 | G | A | 0.0992 | |
| 203 | P | A | -0.3780 | |
| 204 | H | A | -0.6198 | |
| 205 | K | A | -0.7878 | |
| 206 | R | A | -0.4693 | |
| 207 | A | A | 0.0000 | |
| 208 | S | A | 0.0000 | |
| 209 | F | A | 0.6921 | |
| 210 | L | A | 0.0000 | |
| 211 | R | A | -1.3297 | |
| 212 | P | A | 0.0000 | |
| 213 | P | A | -1.2229 | |
| 214 | H | A | -1.5447 | |
| 215 | A | A | -0.8790 | |
| 216 | G | A | -0.5223 | |
| 217 | A | A | -0.2040 | |
| 218 | G | A | -0.4079 | |
| 219 | D | A | -0.7033 | |
| 220 | F | A | 0.6864 | |
| 221 | F | A | 0.0000 | |
| 222 | T | A | -0.4666 | |
| 223 | C | A | 0.0000 | |
| 224 | S | A | -0.5036 | |
| 225 | V | A | 0.0000 | |
| 226 | N | A | -1.7644 | |
| 227 | H | A | 0.0000 | |
| 228 | Q | A | -2.2888 | |
| 229 | A | A | -1.3317 | |
| 230 | T | A | -1.4884 | |
| 231 | R | A | -2.5557 | |
| 232 | T | A | -1.5064 | |
| 233 | S | A | -1.0943 | |
| 234 | L | A | -0.0748 | |
| 235 | T | A | -0.3882 | |
| 236 | Q | A | -0.5031 | |
| 237 | N | A | -1.1183 | |
| 238 | V | A | 0.0000 | |
| 239 | E | A | -0.2938 | |
| 240 | G | A | 0.0000 | |
| 241 | C | A | 0.3501 | |
| 242 | V | A | 0.5240 | |
| 243 | A | A | 0.1901 | |
| 244 | G | A | -0.7892 | |
| 245 | G | A | -1.5278 | |
| 246 | E | A | -2.1500 | |
| 247 | P | A | -1.3455 | |
| 248 | T | A | -1.1390 | |
| 249 | P | A | -1.0622 | |
| 250 | P | A | 0.0000 | |
| 251 | E | A | -2.0801 | |
| 252 | V | A | 0.0000 | |
| 253 | Q | A | -0.8321 | |
| 254 | V | A | -0.0448 | |
| 255 | L | A | 0.2986 | |
| 256 | H | A | -0.5423 | |
| 257 | S | A | -0.5166 | |
| 258 | S | A | -0.1642 | |
| 259 | V | A | -0.1950 | |
| 260 | C | A | 0.8605 | |
| 261 | S | A | 0.2520 | |
| 262 | T | A | 0.4065 | |
| 263 | L | A | 0.5661 | |
| 264 | G | A | -1.1174 | |
| 265 | D | A | -2.5242 | |
| 266 | D | A | -3.2045 | |
| 267 | S | A | -2.7027 | |
| 268 | V | A | 0.0000 | |
| 269 | E | A | -1.6108 | |
| 270 | L | A | 0.0000 | |
| 271 | L | A | -0.0862 | |
| 272 | C | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | I | A | 0.0000 | |
| 275 | T | A | -0.9629 | |
| 276 | G | A | -1.0286 | |
| 277 | F | A | 0.0000 | |
| 278 | S | A | 0.0000 | |
| 279 | P | A | -1.0736 | |
| 280 | P | A | -0.9663 | |
| 281 | P | A | -0.9561 | |
| 282 | V | A | 0.0000 | |
| 283 | E | A | -1.9197 | |
| 284 | V | A | -1.0823 | |
| 285 | E | A | -1.4181 | |
| 286 | W | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | V | A | -0.3700 | |
| 289 | D | A | -1.0191 | |
| 290 | G | A | 0.0000 | |
| 291 | A | A | -0.3446 | |
| 292 | P | A | -0.5311 | |
| 293 | A | A | -0.3793 | |
| 294 | H | A | -0.4911 | |
| 295 | L | A | 0.3412 | |
| 296 | V | A | 1.4296 | |
| 297 | A | A | 0.5233 | |
| 298 | T | A | 0.1326 | |
| 299 | M | A | -0.0617 | |
| 300 | T | A | -0.9453 | |
| 301 | R | A | -2.2362 | |
| 302 | P | A | -1.8011 | |
| 303 | Q | A | -2.4730 | |
| 304 | R | A | -3.0548 | |
| 305 | E | A | -1.8518 | |
| 306 | A | A | -1.1458 | |
| 307 | G | A | -1.1780 | |
| 308 | S | A | -1.5580 | |
| 309 | K | A | -2.6080 | |
| 310 | T | A | -1.8335 | |
| 311 | Y | A | -1.5384 | |
| 312 | M | A | -0.9494 | |
| 313 | A | A | 0.0000 | |
| 314 | T | A | -0.3114 | |
| 315 | S | A | 0.0000 | |
| 316 | Q | A | -0.3433 | |
| 317 | T | A | 0.0000 | |
| 318 | N | A | -1.6617 | |
| 319 | V | A | 0.0000 | |
| 320 | S | A | -2.3087 | |
| 321 | R | A | -2.7942 | |
| 322 | E | A | -2.9075 | |
| 323 | D | A | -2.0036 | |
| 324 | W | A | 0.0000 | |
| 325 | K | A | -1.5634 | |
| 326 | A | A | -1.2865 | |
| 327 | G | A | -1.1412 | |
| 328 | K | A | -1.3530 | |
| 329 | A | A | 0.0000 | |
| 330 | F | A | 0.0000 | |
| 331 | T | A | 0.0000 | |
| 332 | C | A | 0.0000 | |
| 333 | R | A | -1.2522 | |
| 334 | V | A | 0.0000 | |
| 335 | K | A | -1.4861 | |
| 336 | H | A | 0.0000 | |
| 337 | P | A | -0.5639 | |
| 338 | A | A | -0.3618 | |
| 339 | T | A | -0.5082 | |
| 340 | G | A | -0.3687 | |
| 341 | G | A | -0.4917 | |
| 342 | T | A | -0.9571 | |
| 343 | A | A | -0.9979 | |
| 344 | Q | A | -1.1214 | |
| 345 | G | A | 0.0000 | |
| 346 | H | A | -0.6234 | |
| 347 | A | A | 0.0000 | |
| 348 | R | A | -1.2290 | |
| 349 | F | A | -0.8904 | |
| 350 | C | A | 0.0000 | |
| 351 | P | A | -0.7701 | |
| 352 | G | A | -1.2135 | |
| 353 | S | A | -0.9628 | |
| 354 | G | A | -0.9069 | |
| 355 | A | A | -1.0648 | |
| 356 | Q | A | -1.3532 | |
| 357 | S | A | -0.9194 | |
| 358 | C | A | -0.5236 | |
| 359 | S | A | -0.3686 | |
| 360 | P | A | -0.3079 | |
| 361 | I | A | -0.4069 | |
| 362 | Q | A | -0.3492 | |
| 363 | I | A | 0.0000 | |
| 364 | F | A | 0.9397 | |
| 365 | V | A | 0.8549 | |
| 366 | V | A | 1.2336 | |
| 367 | P | A | 0.2539 | |
| 368 | P | A | 0.0000 | |
| 369 | S | A | -0.1090 | |
| 370 | P | A | 0.0000 | |
| 371 | G | A | 0.0000 | |
| 372 | S | A | -1.5312 | |
| 373 | L | A | 0.0000 | |
| 374 | Y | A | -0.4037 | |
| 375 | I | A | -0.3683 | |
| 376 | R | A | -2.4860 | |
| 377 | Q | A | -2.8317 | |
| 378 | D | A | -2.9423 | |
| 379 | A | A | 0.0000 | |
| 380 | K | A | -1.3608 | |
| 381 | V | A | 0.0000 | |
| 382 | H | A | -0.1259 | |
| 383 | C | A | 0.0000 | |
| 384 | L | A | 1.1520 | |
| 385 | V | A | 0.0000 | |
| 386 | V | A | 0.2423 | |
| 387 | N | A | -0.3412 | |
| 388 | L | A | 0.0000 | |
| 389 | P | A | -1.2365 | |
| 390 | S | A | -1.4818 | |
| 391 | D | A | -2.1262 | |
| 392 | A | A | -1.8239 | |
| 393 | S | A | -1.6947 | |
| 394 | L | A | -1.3961 | |
| 395 | S | A | -0.8582 | |
| 396 | I | A | -0.1439 | |
| 397 | S | A | -0.5154 | |
| 398 | W | A | 0.0000 | |
| 399 | T | A | -1.1769 | |
| 400 | R | A | -2.2161 | |
| 401 | E | A | -3.2771 | |
| 402 | K | A | -3.0074 | |
| 403 | S | A | -1.6707 | |
| 404 | G | A | -1.3714 | |
| 405 | A | A | -0.7955 | |
| 406 | L | A | -1.0737 | |
| 407 | R | A | -2.2696 | |
| 408 | P | A | -1.8975 | |
| 409 | D | A | -2.1188 | |
| 410 | P | A | -0.6239 | |
| 411 | M | A | 0.8826 | |
| 412 | V | A | 1.9757 | |
| 413 | L | A | 1.1181 | |
| 414 | T | A | 0.1011 | |
| 415 | E | A | -0.9537 | |
| 416 | H | A | -0.9634 | |
| 417 | F | A | -0.7240 | |
| 418 | N | A | -1.0404 | |
| 419 | G | A | 0.0000 | |
| 420 | T | A | -0.5451 | |
| 421 | F | A | -0.4352 | |
| 422 | T | A | 0.1470 | |
| 423 | A | A | 0.0000 | |
| 424 | S | A | 0.8450 | |
| 425 | S | A | 0.0000 | |
| 426 | S | A | -0.7228 | |
| 427 | L | A | 0.0000 | |
| 428 | A | A | -1.3817 | |
| 429 | I | A | -0.9264 | |
| 430 | S | A | -1.0505 | |
| 431 | T | A | -1.3369 | |
| 432 | Q | A | -1.3137 | |
| 433 | D | A | -1.1573 | |
| 434 | W | A | 0.0000 | |
| 435 | L | A | -0.3613 | |
| 436 | A | A | -0.4913 | |
| 437 | G | A | -1.1049 | |
| 438 | E | A | 0.0000 | |
| 439 | R | A | -2.3446 | |
| 440 | F | A | 0.0000 | |
| 441 | T | A | 0.0000 | |
| 442 | C | A | 0.0000 | |
| 443 | T | A | -0.7750 | |
| 444 | V | A | 0.0000 | |
| 445 | Q | A | -1.8686 | |
| 446 | H | A | 0.0000 | |
| 447 | E | A | -3.2599 | |
| 448 | D | A | -3.1396 | |
| 449 | L | A | 0.0000 | |
| 450 | P | A | -0.9479 | |
| 451 | V | A | -0.5882 | |
| 452 | P | A | -0.8704 | |
| 453 | L | A | -0.5879 | |
| 454 | G | A | -0.9535 | |
| 455 | K | A | -1.1482 | |
| 456 | S | A | -0.7817 | |
| 457 | I | A | -0.5182 | |
| 458 | A | A | -0.8675 | |
| 459 | K | A | -1.2517 | |
| 460 | H | A | -1.5404 | |
| 461 | A | A | -0.9094 | |
| 462 | G | A | -1.2166 | |
| 463 | K | A | -1.6097 | |
| 464 | V | A | -0.4289 | |
| 465 | T | A | -0.1795 | |
| 466 | A | A | 0.1750 | |
| 467 | P | A | 0.0000 | |
| 468 | Y | A | 0.6320 | |
| 469 | I | A | 0.0000 | |
| 470 | F | A | 0.0000 | |
| 471 | T | A | 0.0000 | |
| 472 | F | A | 0.0000 | |
| 473 | P | A | -0.7325 | |
| 474 | P | A | -0.7750 | |
| 475 | H | A | -0.8640 | |
| 476 | A | A | -1.3119 | |
| 477 | E | A | -1.7834 | |
| 478 | E | A | 0.0000 | |
| 479 | L | A | -0.8413 | |
| 480 | S | A | -0.7153 | |
| 481 | L | A | -0.5460 | |
| 482 | A | A | -0.6670 | |
| 483 | E | A | -1.4679 | |
| 484 | V | A | 0.0000 | |
| 485 | T | A | 0.0000 | |
| 486 | L | A | 0.0000 | |
| 487 | T | A | 0.0000 | |
| 488 | C | A | 0.0000 | |
| 489 | L | A | 0.0000 | |
| 490 | V | A | 0.0000 | |
| 491 | R | A | 0.0000 | |
| 492 | G | A | -0.4657 | |
| 493 | F | A | 0.0000 | |
| 494 | Q | A | -1.1478 | |
| 495 | P | A | 0.0000 | |
| 496 | E | A | -1.1469 | |
| 497 | H | A | -0.7216 | |
| 498 | V | A | 0.0000 | |
| 499 | E | A | 0.0000 | |
| 500 | V | A | 0.0000 | |
| 501 | Q | A | 0.0000 | |
| 502 | W | A | 0.0000 | |
| 503 | L | A | 0.0000 | |
| 504 | R | A | -1.6568 | |
| 505 | N | A | -2.1803 | |
| 506 | H | A | -2.2801 | |
| 507 | N | A | -2.2546 | |
| 508 | S | A | -1.1441 | |
| 509 | V | A | 0.0000 | |
| 510 | P | A | 0.0000 | |
| 511 | A | A | 0.0000 | |
| 512 | A | A | -0.0959 | |
| 513 | E | A | 0.0000 | |
| 514 | F | A | 0.0000 | |
| 515 | V | A | -0.2417 | |
| 516 | T | A | 0.0000 | |
| 517 | T | A | 0.0000 | |
| 518 | P | A | -0.4096 | |
| 519 | P | A | -0.6153 | |
| 520 | L | A | -0.7108 | |
| 521 | K | A | -2.0596 | |
| 522 | E | A | 0.0000 | |
| 523 | P | A | -1.1831 | |
| 524 | N | A | -1.8517 | |
| 525 | G | A | -1.8718 | |
| 526 | D | A | -2.4973 | |
| 527 | G | A | -1.7798 | |
| 528 | T | A | 0.0000 | |
| 529 | F | A | -1.1258 | |
| 530 | F | A | 0.0000 | |
| 531 | L | A | 0.0000 | |
| 532 | Y | A | 0.0000 | |
| 533 | S | A | 0.0000 | |
| 534 | K | A | 0.0000 | |
| 535 | M | A | 0.0000 | |
| 536 | T | A | -0.5278 | |
| 537 | V | A | 0.0000 | |
| 538 | P | A | -1.2626 | |
| 539 | K | A | -1.4777 | |
| 540 | A | A | -1.1096 | |
| 541 | S | A | -1.0440 | |
| 542 | W | A | 0.0000 | |
| 543 | Q | A | -1.8730 | |
| 544 | G | A | -1.3116 | |
| 545 | G | A | -1.2065 | |
| 546 | V | A | -0.8350 | |
| 547 | S | A | -1.4546 | |
| 548 | Y | A | 0.0000 | |
| 549 | A | A | -1.2459 | |
| 550 | C | A | 0.0000 | |
| 551 | M | A | 0.0000 | |
| 552 | V | A | 0.0000 | |
| 553 | V | A | 0.0000 | |
| 554 | H | A | 0.0000 | |
| 555 | E | A | -0.1695 | |
| 556 | G | A | -0.2359 | |
| 557 | L | A | 0.0000 | |
| 558 | P | A | 0.1008 | |
| 559 | M | A | 0.8752 | |
| 560 | R | A | 0.1023 | |
| 561 | F | A | 0.5574 | |
| 562 | T | A | -0.1726 | |
| 563 | Q | A | -0.9733 | |
| 564 | R | A | -1.2808 | |
| 565 | P | A | -1.3360 | |
| 566 | L | A | 0.0000 | |
| 567 | Q | A | -2.1966 | |
| 568 | K | A | -2.4196 | |
| 569 | T | A | -1.7399 | |
| 570 | P | A | -1.6557 | |
| 571 | G | A | -1.9824 | |
| 572 | K | A | -2.2971 | |
| 1 | M | B | 0.6402 | |
| 2 | S | B | -0.3437 | |
| 3 | P | B | -1.1928 | |
| 4 | R | B | -2.2674 | |
| 5 | P | B | -1.4420 | |
| 6 | H | B | -1.0576 | |
| 7 | A | B | 0.4346 | |
| 8 | F | B | 2.3600 | |
| 9 | A | B | 2.3199 | |
| 10 | L | B | 3.5955 | |
| 11 | L | B | 4.0348 | |
| 12 | L | B | 4.0166 | |
| 13 | L | B | 3.7717 | |
| 14 | L | B | 3.3444 | |
| 15 | A | B | 2.0394 | |
| 16 | A | B | 1.4719 | |
| 17 | V | B | 2.0677 | |
| 18 | P | B | 0.4930 | |
| 19 | G | B | 0.1609 | |
| 20 | L | B | 0.6671 | |
| 21 | R | B | -1.2258 | |
| 22 | A | B | -0.4644 | |
| 23 | A | B | -0.1969 | |
| 24 | A | B | -0.1658 | |
| 25 | T | B | -0.6556 | |
| 26 | L | B | 0.0000 | |
| 27 | D | B | -2.2229 | |
| 28 | E | B | 0.0000 | |
| 29 | S | B | -0.9028 | |
| 30 | G | B | -0.3429 | |
| 31 | G | B | -0.3896 | |
| 32 | G | B | -0.2437 | |
| 33 | L | B | 0.1721 | |
| 34 | V | B | -0.2214 | |
| 35 | S | B | -0.6536 | |
| 36 | P | B | -1.2657 | |
| 37 | G | B | -1.2325 | |
| 38 | G | B | -0.9107 | |
| 39 | S | B | -1.0068 | |
| 40 | L | B | -0.4226 | |
| 41 | T | B | -0.3939 | |
| 42 | L | B | 0.0000 | |
| 43 | V | B | -0.2276 | |
| 44 | C | B | 0.0000 | |
| 45 | K | B | -2.1334 | |
| 46 | G | B | 0.0000 | |
| 47 | S | B | -0.6387 | |
| 48 | G | B | -0.3166 | |
| 49 | F | B | -0.1363 | |
| 50 | T | B | -0.0956 | |
| 51 | F | B | 0.0000 | |
| 52 | S | B | -0.7128 | |
| 53 | S | B | -0.3239 | |
| 54 | Y | B | 0.0000 | |
| 55 | G | B | 0.0000 | |
| 56 | V | B | 0.0000 | |
| 57 | S | B | 0.0000 | |
| 58 | W | B | 0.0000 | |
| 59 | V | B | 0.0000 | |
| 60 | R | B | 0.0000 | |
| 61 | Q | B | 0.0000 | |
| 62 | A | B | -0.8598 | |
| 63 | P | B | -1.1068 | |
| 64 | G | B | -1.6186 | |
| 65 | K | B | -1.7874 | |
| 66 | G | B | -0.5275 | |
| 67 | L | B | 0.8660 | |
| 68 | E | B | 0.2995 | |
| 69 | W | B | 0.6087 | |
| 70 | V | B | 0.0000 | |
| 71 | A | B | 0.0000 | |
| 72 | G | B | 0.0000 | |
| 73 | I | B | 0.0000 | |
| 74 | T | B | 0.0000 | |
| 75 | D | B | 0.0000 | |
| 76 | S | B | -0.6963 | |
| 77 | G | B | -0.8047 | |
| 78 | G | B | -0.6866 | |
| 79 | S | B | -0.5418 | |
| 80 | T | B | -0.3545 | |
| 81 | Y | B | 0.0000 | |
| 82 | Y | B | -0.9740 | |
| 83 | A | B | 0.0000 | |
| 84 | P | B | -1.4284 | |
| 85 | A | B | -1.0013 | |
| 86 | V | B | 0.0000 | |
| 87 | K | B | -2.2636 | |
| 88 | G | B | -1.6128 | |
| 89 | R | B | -1.6230 | |
| 90 | F | B | 0.0000 | |
| 91 | T | B | -0.8919 | |
| 92 | I | B | 0.0000 | |
| 93 | S | B | -0.5901 | |
| 94 | R | B | -1.2241 | |
| 95 | N | B | -1.8920 | |
| 96 | N | B | -1.7719 | |
| 97 | G | B | -1.5695 | |
| 98 | Q | B | -2.0993 | |
| 99 | S | B | -1.5921 | |
| 100 | T | B | -1.5553 | |
| 101 | A | B | 0.0000 | |
| 102 | T | B | -0.3759 | |
| 103 | L | B | 0.0000 | |
| 104 | Q | B | -0.8707 | |
| 105 | M | B | 0.0000 | |
| 106 | N | B | -1.9027 | |
| 107 | S | B | -1.3878 | |
| 108 | L | B | 0.0000 | |
| 109 | K | B | -2.0091 | |
| 110 | A | B | -1.4629 | |
| 111 | E | B | -2.1658 | |
| 112 | D | B | 0.0000 | |
| 113 | T | B | -0.6154 | |
| 114 | A | B | 0.0000 | |
| 115 | T | B | -0.1102 | |
| 116 | Y | B | 0.0000 | |
| 117 | Y | B | -0.0276 | |
| 118 | C | B | 0.0000 | |
| 119 | A | B | 0.0000 | |
| 120 | K | B | 0.0000 | |
| 121 | G | B | -0.4099 | |
| 122 | A | B | -0.6479 | |
| 123 | Y | B | -0.2215 | |
| 124 | G | B | 0.0000 | |
| 125 | G | B | 0.0000 | |
| 126 | I | B | -0.3588 | |
| 127 | R | B | -1.0352 | |
| 128 | S | B | -0.5904 | |
| 129 | S | B | -0.8187 | |
| 130 | D | B | -1.1579 | |
| 131 | I | B | -0.7014 | |
| 132 | D | B | -1.5619 | |
| 133 | L | B | -0.3552 | |
| 134 | W | B | -0.1504 | |
| 135 | G | B | -0.9006 | |
| 136 | H | B | -1.1161 | |
| 137 | G | B | 0.0000 | |
| 138 | T | B | 0.0000 | |
| 139 | E | B | -0.4929 | |
| 140 | V | B | 0.0000 | |
| 141 | A | B | 0.0000 | |
| 142 | V | B | 0.0000 | |
| 143 | S | B | -0.5448 | |
| 144 | S | B | -0.5997 | |
| 145 | G | B | -0.5385 | |
| 146 | S | B | -0.5583 | |
| 147 | P | B | -0.4312 | |
| 148 | T | B | -0.2783 | |
| 149 | A | B | -0.5678 | |
| 150 | P | B | 0.0000 | |
| 151 | S | B | 0.1973 | |
| 152 | V | B | 0.4861 | |
| 153 | F | B | 0.6121 | |
| 154 | P | B | -0.0426 | |
| 155 | I | B | 0.1791 | |
| 156 | S | B | 0.1227 | |
| 157 | S | B | -0.3897 | |
| 158 | C | B | -0.3046 | |
| 159 | C | B | 0.0558 | |
| 160 | G | B | -0.4909 | |
| 161 | S | B | -1.2012 | |
| 162 | T | B | -1.2255 | |
| 163 | Q | B | -2.0992 | |
| 164 | Q | B | -2.1692 | |
| 165 | Q | B | -2.0307 | |
| 166 | P | B | -1.3371 | |
| 167 | V | B | -0.5684 | |
| 168 | V | B | 0.0000 | |
| 169 | G | B | 0.0000 | |
| 170 | C | B | 0.0000 | |
| 171 | L | B | 0.0000 | |
| 172 | A | B | 0.0000 | |
| 173 | T | B | 0.0000 | |
| 174 | G | B | -0.3285 | |
| 175 | Y | B | 0.0000 | |
| 176 | I | B | -0.0586 | |
| 177 | P | B | -0.2009 | |
| 178 | G | B | -0.6158 | |
| 179 | P | B | -0.7963 | |
| 180 | V | B | 0.0000 | |
| 181 | T | B | -0.5681 | |
| 182 | F | B | 0.0213 | |
| 183 | S | B | -0.2402 | |
| 184 | W | B | -0.2932 | |
| 185 | S | B | -0.3626 | |
| 186 | G | B | -0.4712 | |
| 187 | A | B | -0.6611 | |
| 188 | S | B | -0.6030 | |
| 189 | G | B | -0.8285 | |
| 190 | A | B | -0.9500 | |
| 191 | T | B | -0.4083 | |
| 192 | S | B | 0.0865 | |
| 193 | V | B | 0.8500 | |
| 194 | T | B | 0.6639 | |
| 195 | V | B | 0.7503 | |
| 196 | P | B | -0.2200 | |
| 197 | E | B | -0.8063 | |
| 198 | T | B | -0.7383 | |
| 199 | H | B | -1.1005 | |
| 200 | G | B | -0.2429 | |
| 201 | V | B | 0.7459 | |
| 202 | G | B | 0.1780 | |
| 203 | P | B | -0.1983 | |
| 204 | H | B | -0.4786 | |
| 205 | K | B | 0.0000 | |
| 206 | R | B | -0.4284 | |
| 207 | A | B | 0.0000 | |
| 208 | S | B | 0.0000 | |
| 209 | F | B | 0.6282 | |
| 210 | L | B | 0.0000 | |
| 211 | R | B | -1.3355 | |
| 212 | P | B | 0.0000 | |
| 213 | P | B | -1.2377 | |
| 214 | H | B | -1.5759 | |
| 215 | A | B | -0.9026 | |
| 216 | G | B | -0.5111 | |
| 217 | A | B | -0.0817 | |
| 218 | G | B | -0.4001 | |
| 219 | D | B | -0.7026 | |
| 220 | F | B | 0.7009 | |
| 221 | F | B | 0.0000 | |
| 222 | T | B | -0.4539 | |
| 223 | C | B | 0.0000 | |
| 224 | S | B | -0.3816 | |
| 225 | V | B | 0.0000 | |
| 226 | N | B | -1.3668 | |
| 227 | H | B | 0.0000 | |
| 228 | Q | B | -2.1891 | |
| 229 | A | B | -1.2765 | |
| 230 | T | B | -1.4347 | |
| 231 | R | B | -2.4836 | |
| 232 | T | B | -1.3818 | |
| 233 | S | B | -0.9051 | |
| 234 | L | B | 0.0886 | |
| 235 | T | B | -0.3142 | |
| 236 | Q | B | -0.5085 | |
| 237 | N | B | -1.1004 | |
| 238 | V | B | 0.0000 | |
| 239 | E | B | -0.2089 | |
| 240 | G | B | 0.0000 | |
| 241 | C | B | 0.3889 | |
| 242 | V | B | 0.5267 | |
| 243 | A | B | 0.0800 | |
| 244 | G | B | -1.0210 | |
| 245 | G | B | -1.7831 | |
| 246 | E | B | -2.2378 | |
| 247 | P | B | -1.3879 | |
| 248 | T | B | -1.1706 | |
| 249 | P | B | -1.0207 | |
| 250 | P | B | 0.0000 | |
| 251 | E | B | -2.0693 | |
| 252 | V | B | 0.0000 | |
| 253 | Q | B | -0.7867 | |
| 254 | V | B | 0.0118 | |
| 255 | L | B | 0.3543 | |
| 256 | H | B | -0.6005 | |
| 257 | S | B | -0.4735 | |
| 258 | S | B | -0.1400 | |
| 259 | V | B | -0.2221 | |
| 260 | C | B | 0.8346 | |
| 261 | S | B | 0.2778 | |
| 262 | T | B | 0.4087 | |
| 263 | L | B | 0.5737 | |
| 264 | G | B | -1.1183 | |
| 265 | D | B | -2.6174 | |
| 266 | D | B | -3.2160 | |
| 267 | S | B | -2.6867 | |
| 268 | V | B | 0.0000 | |
| 269 | E | B | -1.7352 | |
| 270 | L | B | 0.0000 | |
| 271 | L | B | -0.0093 | |
| 272 | C | B | 0.0000 | |
| 273 | V | B | -0.0147 | |
| 274 | I | B | 0.0000 | |
| 275 | T | B | -0.9803 | |
| 276 | G | B | -1.0788 | |
| 277 | F | B | 0.0000 | |
| 278 | S | B | 0.0000 | |
| 279 | P | B | -1.1281 | |
| 280 | P | B | -1.0157 | |
| 281 | P | B | -0.9702 | |
| 282 | V | B | 0.0000 | |
| 283 | E | B | -2.0117 | |
| 284 | V | B | -1.0607 | |
| 285 | E | B | -1.3962 | |
| 286 | W | B | 0.0000 | |
| 287 | L | B | 0.0000 | |
| 288 | V | B | -0.5724 | |
| 289 | D | B | -1.4193 | |
| 290 | G | B | -0.8903 | |
| 291 | A | B | -0.2797 | |
| 292 | P | B | -0.5675 | |
| 293 | A | B | -0.4266 | |
| 294 | H | B | -0.4910 | |
| 295 | L | B | 0.3409 | |
| 296 | V | B | 1.4283 | |
| 297 | A | B | 0.5267 | |
| 298 | T | B | 0.1261 | |
| 299 | M | B | -0.0913 | |
| 300 | T | B | -0.9656 | |
| 301 | R | B | -2.2619 | |
| 302 | P | B | -1.8532 | |
| 303 | Q | B | -2.5092 | |
| 304 | R | B | -3.0688 | |
| 305 | E | B | -1.8488 | |
| 306 | A | B | -1.1361 | |
| 307 | G | B | -1.1586 | |
| 308 | S | B | -1.5167 | |
| 309 | K | B | -2.6314 | |
| 310 | T | B | 0.0000 | |
| 311 | Y | B | -1.5920 | |
| 312 | M | B | -1.0438 | |
| 313 | A | B | 0.0000 | |
| 314 | T | B | -0.2504 | |
| 315 | S | B | 0.0000 | |
| 316 | Q | B | -0.2873 | |
| 317 | T | B | 0.0000 | |
| 318 | N | B | -1.6441 | |
| 319 | V | B | 0.0000 | |
| 320 | S | B | -2.3021 | |
| 321 | R | B | -2.8485 | |
| 322 | E | B | -2.9162 | |
| 323 | D | B | -1.9430 | |
| 324 | W | B | 0.0000 | |
| 325 | K | B | -1.7178 | |
| 326 | A | B | -1.3244 | |
| 327 | G | B | -1.2587 | |
| 328 | K | B | -1.5281 | |
| 329 | A | B | 0.0000 | |
| 330 | F | B | 0.0000 | |
| 331 | T | B | 0.0000 | |
| 332 | C | B | 0.0000 | |
| 333 | R | B | -1.1913 | |
| 334 | V | B | 0.0000 | |
| 335 | K | B | -1.2669 | |
| 336 | H | B | 0.0000 | |
| 337 | P | B | -0.4438 | |
| 338 | A | B | -0.2715 | |
| 339 | T | B | -0.3410 | |
| 340 | G | B | -0.2679 | |
| 341 | G | B | -0.3760 | |
| 342 | T | B | -0.8243 | |
| 343 | A | B | -0.9168 | |
| 344 | Q | B | -1.0573 | |
| 345 | G | B | 0.0000 | |
| 346 | H | B | -0.6830 | |
| 347 | A | B | 0.0000 | |
| 348 | R | B | -1.3590 | |
| 349 | F | B | 0.0000 | |
| 350 | C | B | 0.0000 | |
| 351 | P | B | -0.8017 | |
| 352 | G | B | -1.1710 | |
| 353 | S | B | -0.9864 | |
| 354 | G | B | -0.9680 | |
| 355 | A | B | -1.0930 | |
| 356 | Q | B | -1.4243 | |
| 357 | S | B | -0.9771 | |
| 358 | C | B | -0.5877 | |
| 359 | S | B | -0.3995 | |
| 360 | P | B | -0.3737 | |
| 361 | I | B | 0.0000 | |
| 362 | Q | B | -0.3286 | |
| 363 | I | B | 0.0000 | |
| 364 | F | B | 1.3686 | |
| 365 | V | B | 1.1046 | |
| 366 | V | B | 1.4209 | |
| 367 | P | B | 0.4754 | |
| 368 | P | B | 0.0000 | |
| 369 | S | B | -0.3959 | |
| 370 | P | B | 0.0000 | |
| 371 | G | B | 0.0000 | |
| 372 | S | B | -1.5459 | |
| 373 | L | B | 0.0000 | |
| 374 | Y | B | -0.6483 | |
| 375 | I | B | -0.7544 | |
| 376 | R | B | -2.4987 | |
| 377 | Q | B | -2.8489 | |
| 378 | D | B | -2.9147 | |
| 379 | A | B | 0.0000 | |
| 380 | K | B | -1.3740 | |
| 381 | V | B | 0.0000 | |
| 382 | H | B | 0.1177 | |
| 383 | C | B | 0.0000 | |
| 384 | L | B | 1.2953 | |
| 385 | V | B | 0.0000 | |
| 386 | V | B | 0.2425 | |
| 387 | N | B | -0.4499 | |
| 388 | L | B | 0.0000 | |
| 389 | P | B | -1.3115 | |
| 390 | S | B | -1.5176 | |
| 391 | D | B | -2.1513 | |
| 392 | A | B | -1.8197 | |
| 393 | S | B | -1.6675 | |
| 394 | L | B | -1.3579 | |
| 395 | S | B | -0.7900 | |
| 396 | I | B | -0.0830 | |
| 397 | S | B | -0.4669 | |
| 398 | W | B | 0.0000 | |
| 399 | T | B | -1.1683 | |
| 400 | R | B | -2.2198 | |
| 401 | E | B | -3.2514 | |
| 402 | K | B | -2.9714 | |
| 403 | S | B | -1.6623 | |
| 404 | G | B | -1.3693 | |
| 405 | A | B | -0.7950 | |
| 406 | L | B | -1.0499 | |
| 407 | R | B | -2.2112 | |
| 408 | P | B | -1.7581 | |
| 409 | D | B | -1.8908 | |
| 410 | P | B | -0.5251 | |
| 411 | M | B | 0.9468 | |
| 412 | V | B | 1.9139 | |
| 413 | L | B | 1.1141 | |
| 414 | T | B | 0.1764 | |
| 415 | E | B | -0.8945 | |
| 416 | H | B | -0.8801 | |
| 417 | F | B | -0.9574 | |
| 418 | N | B | -1.2144 | |
| 419 | G | B | 0.0000 | |
| 420 | T | B | -0.6815 | |
| 421 | F | B | -0.4452 | |
| 422 | T | B | 0.1577 | |
| 423 | A | B | 0.0000 | |
| 424 | S | B | 0.9568 | |
| 425 | S | B | 0.0000 | |
| 426 | S | B | -0.5637 | |
| 427 | L | B | 0.0000 | |
| 428 | A | B | -1.2817 | |
| 429 | I | B | -0.8912 | |
| 430 | S | B | -1.0306 | |
| 431 | T | B | -1.2926 | |
| 432 | Q | B | -1.2850 | |
| 433 | D | B | -1.1188 | |
| 434 | W | B | 0.0000 | |
| 435 | L | B | -0.2929 | |
| 436 | A | B | -0.4461 | |
| 437 | G | B | -1.0492 | |
| 438 | E | B | 0.0000 | |
| 439 | R | B | -2.2096 | |
| 440 | F | B | 0.0000 | |
| 441 | T | B | -1.1079 | |
| 442 | C | B | 0.0000 | |
| 443 | T | B | -0.7005 | |
| 444 | V | B | 0.0000 | |
| 445 | Q | B | -1.6854 | |
| 446 | H | B | 0.0000 | |
| 447 | E | B | -3.2068 | |
| 448 | D | B | -3.1178 | |
| 449 | L | B | 0.0000 | |
| 450 | P | B | -0.9017 | |
| 451 | V | B | -0.4495 | |
| 452 | P | B | -0.7765 | |
| 453 | L | B | -0.5881 | |
| 454 | G | B | -0.8602 | |
| 455 | K | B | -0.9942 | |
| 456 | S | B | -0.6646 | |
| 457 | I | B | -0.3847 | |
| 458 | A | B | -0.7666 | |
| 459 | K | B | -1.1608 | |
| 460 | H | B | -1.4979 | |
| 461 | A | B | -0.8809 | |
| 462 | G | B | -1.2142 | |
| 463 | K | B | -1.5996 | |
| 464 | V | B | -0.3949 | |
| 465 | T | B | -0.1811 | |
| 466 | A | B | 0.1696 | |
| 467 | P | B | 0.0000 | |
| 468 | Y | B | 0.4775 | |
| 469 | I | B | 0.0000 | |
| 470 | F | B | 0.0000 | |
| 471 | T | B | 0.0000 | |
| 472 | F | B | 0.0000 | |
| 473 | P | B | -0.6969 | |
| 474 | P | B | -0.7406 | |
| 475 | H | B | -0.8448 | |
| 476 | A | B | -1.2846 | |
| 477 | E | B | -1.7426 | |
| 478 | E | B | 0.0000 | |
| 479 | L | B | -0.7667 | |
| 480 | S | B | -0.6782 | |
| 481 | L | B | -0.5138 | |
| 482 | A | B | -0.6522 | |
| 483 | E | B | -1.4302 | |
| 484 | V | B | 0.0000 | |
| 485 | T | B | 0.0000 | |
| 486 | L | B | 0.0000 | |
| 487 | T | B | 0.0000 | |
| 488 | C | B | 0.0000 | |
| 489 | L | B | 0.0000 | |
| 490 | V | B | 0.0000 | |
| 491 | R | B | 0.0000 | |
| 492 | G | B | -0.3849 | |
| 493 | F | B | 0.0000 | |
| 494 | Q | B | -1.1024 | |
| 495 | P | B | -1.0659 | |
| 496 | E | B | -1.1993 | |
| 497 | H | B | -0.7826 | |
| 498 | V | B | 0.0000 | |
| 499 | E | B | 0.0000 | |
| 500 | V | B | 0.0000 | |
| 501 | Q | B | 0.0000 | |
| 502 | W | B | 0.0000 | |
| 503 | L | B | 0.0000 | |
| 504 | R | B | -1.7040 | |
| 505 | N | B | -2.3045 | |
| 506 | H | B | -2.2949 | |
| 507 | N | B | -2.1653 | |
| 508 | S | B | -1.0723 | |
| 509 | V | B | 0.0000 | |
| 510 | P | B | 0.0000 | |
| 511 | A | B | 0.0000 | |
| 512 | A | B | -0.2106 | |
| 513 | E | B | 0.0000 | |
| 514 | F | B | 0.0000 | |
| 515 | V | B | -0.2254 | |
| 516 | T | B | 0.0000 | |
| 517 | T | B | 0.0000 | |
| 518 | P | B | -0.4496 | |
| 519 | P | B | -0.6531 | |
| 520 | L | B | -0.7287 | |
| 521 | K | B | -1.9227 | |
| 522 | E | B | 0.0000 | |
| 523 | P | B | -0.8251 | |
| 524 | N | B | -1.1309 | |
| 525 | G | B | 0.0000 | |
| 526 | D | B | -1.8522 | |
| 527 | G | B | -1.4773 | |
| 528 | T | B | 0.0000 | |
| 529 | F | B | -1.0188 | |
| 530 | F | B | 0.0000 | |
| 531 | L | B | 0.0000 | |
| 532 | Y | B | 0.0000 | |
| 533 | S | B | 0.0000 | |
| 534 | K | B | 0.0000 | |
| 535 | M | B | 0.0000 | |
| 536 | T | B | -0.5825 | |
| 537 | V | B | 0.0000 | |
| 538 | P | B | -1.2586 | |
| 539 | K | B | -1.5210 | |
| 540 | A | B | -1.1073 | |
| 541 | S | B | -1.0623 | |
| 542 | W | B | 0.0000 | |
| 543 | Q | B | -1.8634 | |
| 544 | G | B | -1.3187 | |
| 545 | G | B | -1.2018 | |
| 546 | V | B | -0.8691 | |
| 547 | S | B | -1.4830 | |
| 548 | Y | B | 0.0000 | |
| 549 | A | B | -1.2716 | |
| 550 | C | B | 0.0000 | |
| 551 | M | B | 0.0000 | |
| 552 | V | B | 0.0000 | |
| 553 | V | B | 0.0000 | |
| 554 | H | B | 0.0000 | |
| 555 | E | B | -0.0639 | |
| 556 | G | B | -0.1705 | |
| 557 | L | B | 0.0000 | |
| 558 | P | B | 0.1409 | |
| 559 | M | B | 0.8509 | |
| 560 | R | B | 0.1658 | |
| 561 | F | B | 0.6685 | |
| 562 | T | B | -0.1083 | |
| 563 | Q | B | -1.0095 | |
| 564 | R | B | -1.2959 | |
| 565 | P | B | -1.3246 | |
| 566 | L | B | 0.0000 | |
| 567 | Q | B | -2.1060 | |
| 568 | K | B | -2.2678 | |
| 569 | T | B | -1.6731 | |
| 570 | P | B | -1.6404 | |
| 571 | G | B | -1.9795 | |
| 572 | K | B | -2.2869 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.2601 | 5.3465 | View | CSV | PDB |
| 4.5 | -0.2978 | 5.3465 | View | CSV | PDB |
| 5.0 | -0.3424 | 5.3465 | View | CSV | PDB |
| 5.5 | -0.3851 | 5.3465 | View | CSV | PDB |
| 6.0 | -0.4172 | 5.3465 | View | CSV | PDB |
| 6.5 | -0.4337 | 5.3465 | View | CSV | PDB |
| 7.0 | -0.4371 | 5.373 | View | CSV | PDB |
| 7.5 | -0.4334 | 5.4009 | View | CSV | PDB |
| 8.0 | -0.4259 | 5.4116 | View | CSV | PDB |
| 8.5 | -0.4147 | 5.4152 | View | CSV | PDB |
| 9.0 | -0.3985 | 5.4163 | 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