| Chain sequence(s) |
A: MGSSHHHHHHVYPYDVPDYAELPPKKKRKVGIRIPLERHPQRYRLGLDLGSNSLGWFVTNLQQRGDRFEPVGLGPGGVRIFPDGRDPQSKASNAVDRRMARGARKRRDRFVLRRSQLMDALVRHGLMPQETAARKALAGLDPYQLRARALVDSLPAHHVGRALFHLNQRRGFLSNRKTDNKKNSEDGAIKQAASRLRDSMASQGAETLGEFFAGRRHSDTYTERQAAIRAELQRIGKDHLTGNARKKAWAKVRKRLFGDDVLDPAMAPESTRARAIITGTKASYDLYPTRDLLLQEFHAIWRAQAPHHSTMTEGACREIERIIFYQRPLKDPIVGKCSLDPATRPFKEDPEGYRTPWAHPLAQRFRILSEARNLEIRETGRGSQKLTKAQSDAVALALLGSKEVKFDKLRTLLKLPAQSKFNLESDRRAALDGDATAARLSDKNGFGKAWRGFPLERQIAIVEKLMTVEVEAELVDWLEQECGLGPEAAARVANTSLPEGHCRLGLRAIKKIVPVMQNEVGDDGLSGAGYYEAAKRVGYDHAKLPSGGDLDYLPYYGKWLADAVVGSGDARDGNERQFGQFPNPTVHIGLGQLRRLVNELIRAYGPPTEISIEFTRALRLSEDQKAQVQREQRKNQDKNRARAAELEQLGFPANPRNLLKMRLWEELNLRDPLDRKCVYTGEQISIERLLSEEVDIDHILPVAMTLDNSAANKIVCMRYANRHKRKQTPFEAFGSSPLVQGRRYAWDDIATRAAALPRNKRWRFDADAREQFDKRGGFLARQLNETGWLARLAKEYLGAVTDPNRIWVVPGRLTGLLRGKWGLNALLPDHNYVGVQDKAEAFLRPTDDMEFSGVKNRADHRHHAIDGLVAALTDRSLLWKMANAYDDEREKFVVELPWPTMRDDLKAALDKMVVSHKPDHGVQGKLHEDSAYGLLDRPEPVEDGDSEPANLVYRKAVETLNENEIGRIRDRRLRDFVRDHVDAAKRNGVALADALRQLKEPSDNPHFRHGLRHVRLLKKEKADYLVPVVDRATGRTYKAYSAGENYCVEVFETADGKWSGEAVRRFDANKSNCGPKTPHVPRWRTEGAGARLVMRIHKGDLIRLEYEGRTRIMVVHRLDAAAGRFKLAAHNETGNLDKRHATDNDIDPFRWLMASYGTLKKMAAVPVRVDELGRVWRIDPR
input PDB |
| Selected Chain(s) | A |
| 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] (00:00:04)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:04)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:04)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:04)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:42)
[INFO] FoldX: Starting FoldX energy minimization (00:00:43)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:48:04)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d39928f989cd79e/tmp/folded.pdb (00:48:04)
[INFO] Main: Simulation completed successfully. (00:54:40)
|
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 | 0.7192 | |
| 2 | G | A | -0.0225 | |
| 3 | S | A | -0.6403 | |
| 4 | S | A | -1.1623 | |
| 5 | H | A | -1.9545 | |
| 6 | H | A | -2.4241 | |
| 7 | H | A | -2.5615 | |
| 8 | H | A | -2.3673 | |
| 9 | H | A | -1.6786 | |
| 10 | H | A | -0.6790 | |
| 11 | V | A | 1.6136 | |
| 12 | Y | A | 1.8034 | |
| 13 | P | A | 1.0740 | |
| 14 | Y | A | 1.2034 | |
| 15 | D | A | -0.6072 | |
| 16 | V | A | 0.6343 | |
| 17 | P | A | -0.3585 | |
| 18 | D | A | -1.3508 | |
| 19 | Y | A | 0.4208 | |
| 20 | A | A | -0.2957 | |
| 21 | E | A | -1.0535 | |
| 22 | L | A | 0.4264 | |
| 23 | P | A | -0.7741 | |
| 24 | P | A | -1.7597 | |
| 25 | K | A | -3.1581 | |
| 26 | K | A | -4.1818 | |
| 27 | K | A | -4.1737 | |
| 28 | R | A | -3.7212 | |
| 29 | K | A | -2.6446 | |
| 30 | V | A | 0.1368 | |
| 31 | G | A | 0.4736 | |
| 32 | I | A | 1.7729 | |
| 33 | R | A | 0.2852 | |
| 34 | I | A | 1.6811 | |
| 35 | P | A | 0.3297 | |
| 36 | L | A | 0.0685 | |
| 37 | E | A | -2.1825 | |
| 38 | R | A | -2.9854 | |
| 39 | H | A | -2.6773 | |
| 40 | P | A | -2.0870 | |
| 41 | Q | A | -2.3753 | |
| 42 | R | A | -2.2985 | |
| 43 | Y | A | 0.0000 | |
| 44 | R | A | 0.0000 | |
| 45 | L | A | 0.0000 | |
| 46 | G | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | D | A | 0.0000 | |
| 49 | L | A | 0.0000 | |
| 50 | G | A | 0.0000 | |
| 51 | S | A | -0.7773 | |
| 52 | N | A | -0.8760 | |
| 53 | S | A | 0.0000 | |
| 54 | L | A | 0.0000 | |
| 55 | G | A | 0.0000 | |
| 56 | W | A | 0.0000 | |
| 57 | F | A | 0.0000 | |
| 58 | V | A | 0.0000 | |
| 59 | T | A | 0.0000 | |
| 60 | N | A | -0.7251 | |
| 61 | L | A | 0.0000 | |
| 62 | Q | A | -2.6898 | |
| 63 | Q | A | -3.8601 | |
| 64 | R | A | -4.2170 | |
| 65 | G | A | -3.1548 | |
| 66 | D | A | -3.5664 | |
| 67 | R | A | -4.1875 | |
| 68 | F | A | -3.1497 | |
| 69 | E | A | -2.6003 | |
| 70 | P | A | -0.5251 | |
| 71 | V | A | 0.9142 | |
| 72 | G | A | 0.3857 | |
| 73 | L | A | 0.2883 | |
| 74 | G | A | -0.0157 | |
| 75 | P | A | -0.1704 | |
| 76 | G | A | -0.1062 | |
| 77 | G | A | 0.0000 | |
| 78 | V | A | 0.0000 | |
| 79 | R | A | 0.0000 | |
| 80 | I | A | 0.0000 | |
| 81 | F | A | 0.0000 | |
| 82 | P | A | -1.1191 | |
| 83 | D | A | -1.3446 | |
| 84 | G | A | -1.2382 | |
| 85 | R | A | -1.8529 | |
| 86 | D | A | -2.2698 | |
| 87 | P | A | -1.8948 | |
| 88 | Q | A | -2.0923 | |
| 89 | S | A | -1.9645 | |
| 90 | K | A | -2.9117 | |
| 91 | A | A | -1.8989 | |
| 92 | S | A | -1.6378 | |
| 93 | N | A | -2.5569 | |
| 94 | A | A | -1.6340 | |
| 95 | V | A | -1.5779 | |
| 96 | D | A | -3.1843 | |
| 97 | R | A | -3.6117 | |
| 98 | R | A | -3.2587 | |
| 99 | M | A | -1.7584 | |
| 100 | A | A | -2.3663 | |
| 101 | R | A | -4.0070 | |
| 102 | G | A | -3.1709 | |
| 103 | A | A | -2.8479 | |
| 104 | R | A | -4.2817 | |
| 105 | K | A | -4.2638 | |
| 106 | R | A | -4.4496 | |
| 107 | R | A | -3.8769 | |
| 108 | D | A | -2.8354 | |
| 109 | R | A | -2.9063 | |
| 110 | F | A | -1.4780 | |
| 111 | V | A | -0.1961 | |
| 112 | L | A | 0.4493 | |
| 113 | R | A | -0.7674 | |
| 114 | R | A | -1.4147 | |
| 115 | S | A | -0.9747 | |
| 116 | Q | A | -1.1399 | |
| 117 | L | A | 0.0000 | |
| 118 | M | A | -1.6230 | |
| 119 | D | A | -2.8018 | |
| 120 | A | A | 0.0000 | |
| 121 | L | A | 0.0000 | |
| 122 | V | A | -1.9934 | |
| 123 | R | A | -2.4679 | |
| 124 | H | A | -1.2940 | |
| 125 | G | A | -1.1939 | |
| 126 | L | A | 0.0000 | |
| 127 | M | A | 0.0000 | |
| 128 | P | A | -1.7765 | |
| 129 | Q | A | -2.5945 | |
| 130 | E | A | -2.7274 | |
| 131 | T | A | -1.8122 | |
| 132 | A | A | -1.4095 | |
| 133 | A | A | -1.5286 | |
| 134 | R | A | -1.9649 | |
| 135 | K | A | -2.0934 | |
| 136 | A | A | -0.8494 | |
| 137 | L | A | -0.7266 | |
| 138 | A | A | -0.7291 | |
| 139 | G | A | -0.6381 | |
| 140 | L | A | -0.3242 | |
| 141 | D | A | -0.8435 | |
| 142 | P | A | -0.7139 | |
| 143 | Y | A | 0.0000 | |
| 144 | Q | A | -1.5477 | |
| 145 | L | A | 0.0000 | |
| 146 | R | A | 0.0000 | |
| 147 | A | A | -1.2007 | |
| 148 | R | A | -1.4687 | |
| 149 | A | A | 0.0000 | |
| 150 | L | A | -0.2175 | |
| 151 | V | A | 0.9595 | |
| 152 | D | A | -0.6744 | |
| 153 | S | A | -0.7805 | |
| 154 | L | A | 0.0000 | |
| 155 | P | A | -0.7426 | |
| 156 | A | A | -0.6656 | |
| 157 | H | A | -0.7205 | |
| 158 | H | A | -0.6898 | |
| 159 | V | A | 0.0000 | |
| 160 | G | A | 0.0000 | |
| 161 | R | A | -0.3540 | |
| 162 | A | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | F | A | -0.3211 | |
| 165 | H | A | 0.0000 | |
| 166 | L | A | 0.0000 | |
| 167 | N | A | 0.0000 | |
| 168 | Q | A | -1.2464 | |
| 169 | R | A | -1.2001 | |
| 170 | R | A | -0.6192 | |
| 171 | G | A | -0.1699 | |
| 172 | F | A | 0.6495 | |
| 173 | L | A | 0.6823 | |
| 174 | S | A | 0.0107 | |
| 175 | N | A | -0.3571 | |
| 176 | R | A | 0.0000 | |
| 177 | K | A | -1.8186 | |
| 178 | T | A | -1.3370 | |
| 179 | D | A | -2.3028 | |
| 180 | N | A | -2.5654 | |
| 181 | K | A | -3.7587 | |
| 182 | K | A | -3.5348 | |
| 183 | N | A | -3.2353 | |
| 184 | S | A | -2.2694 | |
| 185 | E | A | -2.4707 | |
| 186 | D | A | -2.4871 | |
| 187 | G | A | -2.3276 | |
| 188 | A | A | 0.0000 | |
| 189 | I | A | -1.3586 | |
| 190 | K | A | -2.2122 | |
| 191 | Q | A | -2.3004 | |
| 192 | A | A | 0.0000 | |
| 193 | A | A | 0.0000 | |
| 194 | S | A | -1.9271 | |
| 195 | R | A | -2.2944 | |
| 196 | L | A | 0.0000 | |
| 197 | R | A | -2.0683 | |
| 198 | D | A | -2.7873 | |
| 199 | S | A | -1.8133 | |
| 200 | M | A | 0.0000 | |
| 201 | A | A | -1.8392 | |
| 202 | S | A | -1.5353 | |
| 203 | Q | A | -2.2077 | |
| 204 | G | A | -1.7619 | |
| 205 | A | A | -1.7563 | |
| 206 | E | A | -2.2491 | |
| 207 | T | A | 0.0000 | |
| 208 | L | A | 0.0000 | |
| 209 | G | A | 0.0000 | |
| 210 | E | A | -1.5932 | |
| 211 | F | A | -1.0714 | |
| 212 | F | A | 0.0000 | |
| 213 | A | A | -1.3831 | |
| 214 | G | A | -1.7704 | |
| 215 | R | A | -2.3077 | |
| 216 | R | A | -2.9620 | |
| 217 | H | A | -2.5288 | |
| 218 | S | A | -1.9250 | |
| 219 | D | A | -2.4224 | |
| 220 | T | A | -1.4732 | |
| 221 | Y | A | -1.1628 | |
| 222 | T | A | -1.6732 | |
| 223 | E | A | -2.5029 | |
| 224 | R | A | -1.4452 | |
| 225 | Q | A | -1.3581 | |
| 226 | A | A | -1.0805 | |
| 227 | A | A | -0.9604 | |
| 228 | I | A | 0.0000 | |
| 229 | R | A | -2.0252 | |
| 230 | A | A | -1.4017 | |
| 231 | E | A | 0.0000 | |
| 232 | L | A | 0.0000 | |
| 233 | Q | A | -2.8238 | |
| 234 | R | A | -2.6053 | |
| 235 | I | A | -1.3074 | |
| 236 | G | A | -1.7428 | |
| 237 | K | A | -2.1151 | |
| 238 | D | A | -2.1402 | |
| 239 | H | A | -1.6219 | |
| 240 | L | A | -1.4460 | |
| 241 | T | A | -1.4630 | |
| 242 | G | A | -1.7925 | |
| 243 | N | A | -2.5844 | |
| 244 | A | A | -2.1354 | |
| 245 | R | A | -2.7489 | |
| 246 | K | A | -3.4281 | |
| 247 | K | A | -3.4615 | |
| 248 | A | A | -2.5505 | |
| 249 | W | A | -2.7174 | |
| 250 | A | A | -2.7369 | |
| 251 | K | A | -3.6002 | |
| 252 | V | A | 0.0000 | |
| 253 | R | A | -2.9127 | |
| 254 | K | A | -3.8369 | |
| 255 | R | A | -3.2397 | |
| 256 | L | A | -1.5961 | |
| 257 | F | A | -1.4124 | |
| 258 | G | A | -2.6788 | |
| 259 | D | A | -2.9281 | |
| 260 | D | A | -2.2367 | |
| 261 | V | A | -0.2440 | |
| 262 | L | A | -0.2625 | |
| 263 | D | A | -1.3554 | |
| 264 | P | A | -0.8281 | |
| 265 | A | A | -1.0391 | |
| 266 | M | A | -1.1096 | |
| 267 | A | A | -1.3011 | |
| 268 | P | A | -1.9995 | |
| 269 | E | A | -2.8343 | |
| 270 | S | A | -2.2151 | |
| 271 | T | A | -1.6915 | |
| 272 | R | A | -2.7427 | |
| 273 | A | A | -1.7465 | |
| 274 | R | A | -1.9767 | |
| 275 | A | A | -0.2886 | |
| 276 | I | A | 1.2091 | |
| 277 | I | A | 1.8527 | |
| 278 | T | A | 0.5936 | |
| 279 | G | A | -0.1893 | |
| 280 | T | A | -0.3775 | |
| 281 | K | A | -0.6428 | |
| 282 | A | A | 0.0245 | |
| 283 | S | A | -0.2734 | |
| 284 | Y | A | -0.8783 | |
| 285 | D | A | -1.4806 | |
| 286 | L | A | -1.3984 | |
| 287 | Y | A | -0.9020 | |
| 288 | P | A | 0.0000 | |
| 289 | T | A | -0.2178 | |
| 290 | R | A | 0.0000 | |
| 291 | D | A | -1.2849 | |
| 292 | L | A | 0.0000 | |
| 293 | L | A | 0.0000 | |
| 294 | L | A | -0.7315 | |
| 295 | Q | A | -1.5254 | |
| 296 | E | A | 0.0000 | |
| 297 | F | A | 0.0000 | |
| 298 | H | A | -1.1915 | |
| 299 | A | A | -1.1968 | |
| 300 | I | A | 0.0000 | |
| 301 | W | A | 0.0000 | |
| 302 | R | A | -2.0317 | |
| 303 | A | A | -0.9907 | |
| 304 | Q | A | 0.0000 | |
| 305 | A | A | -1.2693 | |
| 306 | P | A | -1.0831 | |
| 307 | H | A | -1.3755 | |
| 308 | H | A | -0.7808 | |
| 309 | S | A | -0.5573 | |
| 310 | T | A | -0.8728 | |
| 311 | M | A | 0.0000 | |
| 312 | T | A | -1.4639 | |
| 313 | E | A | -2.5734 | |
| 314 | G | A | -2.0975 | |
| 315 | A | A | 0.0000 | |
| 316 | C | A | -2.4286 | |
| 317 | R | A | -3.2497 | |
| 318 | E | A | -2.3476 | |
| 319 | I | A | 0.0000 | |
| 320 | E | A | -1.7777 | |
| 321 | R | A | -2.2810 | |
| 322 | I | A | -1.2121 | |
| 323 | I | A | 0.0000 | |
| 324 | F | A | 0.0000 | |
| 325 | Y | A | -0.4256 | |
| 326 | Q | A | -1.2879 | |
| 327 | R | A | -2.1871 | |
| 328 | P | A | -1.6226 | |
| 329 | L | A | -1.5036 | |
| 330 | K | A | -2.3042 | |
| 331 | D | A | -2.0477 | |
| 332 | P | A | -0.4183 | |
| 333 | I | A | 1.3452 | |
| 334 | V | A | 0.6613 | |
| 335 | G | A | 0.0000 | |
| 336 | K | A | -1.5837 | |
| 337 | C | A | 0.0000 | |
| 338 | S | A | -1.5274 | |
| 339 | L | A | -1.4300 | |
| 340 | D | A | -0.7775 | |
| 341 | P | A | -1.4267 | |
| 342 | A | A | 0.0000 | |
| 343 | T | A | -1.2991 | |
| 344 | R | A | -2.4646 | |
| 345 | P | A | -1.6279 | |
| 346 | F | A | -0.7794 | |
| 347 | K | A | -2.4282 | |
| 348 | E | A | -2.8000 | |
| 349 | D | A | -2.0949 | |
| 350 | P | A | -1.5581 | |
| 351 | E | A | -1.6383 | |
| 352 | G | A | 0.0000 | |
| 353 | Y | A | -1.0277 | |
| 354 | R | A | -1.4922 | |
| 355 | T | A | 0.0000 | |
| 356 | P | A | -0.8741 | |
| 357 | W | A | -0.7408 | |
| 358 | A | A | 0.0000 | |
| 359 | H | A | 0.0000 | |
| 360 | P | A | 0.0000 | |
| 361 | L | A | 0.0000 | |
| 362 | A | A | 0.0000 | |
| 363 | Q | A | 0.0000 | |
| 364 | R | A | -0.2233 | |
| 365 | F | A | 0.0000 | |
| 366 | R | A | -0.6972 | |
| 367 | I | A | 0.0000 | |
| 368 | L | A | 0.0000 | |
| 369 | S | A | -0.6536 | |
| 370 | E | A | -1.3313 | |
| 371 | A | A | 0.0000 | |
| 372 | R | A | 0.0000 | |
| 373 | N | A | -1.7022 | |
| 374 | L | A | 0.0000 | |
| 375 | E | A | -1.5995 | |
| 376 | I | A | 0.0000 | |
| 377 | R | A | -1.7465 | |
| 378 | E | A | -1.6719 | |
| 379 | T | A | -1.5649 | |
| 380 | G | A | -1.3363 | |
| 381 | R | A | -2.2367 | |
| 382 | G | A | -1.4730 | |
| 383 | S | A | -1.6921 | |
| 384 | Q | A | -2.2017 | |
| 385 | K | A | -2.0869 | |
| 386 | L | A | 0.0000 | |
| 387 | T | A | -0.4369 | |
| 388 | K | A | -0.4717 | |
| 389 | A | A | -0.0965 | |
| 390 | Q | A | -0.5318 | |
| 391 | S | A | 0.0000 | |
| 392 | D | A | -0.3735 | |
| 393 | A | A | 0.3609 | |
| 394 | V | A | 0.0000 | |
| 395 | A | A | 0.0000 | |
| 396 | L | A | 1.4365 | |
| 397 | A | A | 0.2532 | |
| 398 | L | A | 0.0000 | |
| 399 | L | A | -0.2207 | |
| 400 | G | A | -0.4835 | |
| 401 | S | A | -1.3879 | |
| 402 | K | A | -2.9486 | |
| 403 | E | A | -3.1521 | |
| 404 | V | A | 0.0000 | |
| 405 | K | A | -2.7693 | |
| 406 | F | A | 0.0000 | |
| 407 | D | A | -2.6763 | |
| 408 | K | A | -2.5859 | |
| 409 | L | A | 0.0000 | |
| 410 | R | A | -1.9000 | |
| 411 | T | A | -1.3474 | |
| 412 | L | A | -0.6561 | |
| 413 | L | A | 0.0000 | |
| 414 | K | A | -1.6984 | |
| 415 | L | A | -1.1084 | |
| 416 | P | A | -0.9417 | |
| 417 | A | A | -1.1986 | |
| 418 | Q | A | -1.4944 | |
| 419 | S | A | 0.0000 | |
| 420 | K | A | -1.5987 | |
| 421 | F | A | 0.0000 | |
| 422 | N | A | -0.8428 | |
| 423 | L | A | -0.4992 | |
| 424 | E | A | -1.7696 | |
| 425 | S | A | -2.6353 | |
| 426 | D | A | -3.4838 | |
| 427 | R | A | -3.6399 | |
| 428 | R | A | -3.5542 | |
| 429 | A | A | -2.4262 | |
| 430 | A | A | -2.4051 | |
| 431 | L | A | 0.0000 | |
| 432 | D | A | -3.1981 | |
| 433 | G | A | 0.0000 | |
| 434 | D | A | 0.0000 | |
| 435 | A | A | -1.1405 | |
| 436 | T | A | 0.0000 | |
| 437 | A | A | 0.0000 | |
| 438 | A | A | -1.8093 | |
| 439 | R | A | -1.6543 | |
| 440 | L | A | 0.0000 | |
| 441 | S | A | -2.4987 | |
| 442 | D | A | -3.4275 | |
| 443 | K | A | -3.4713 | |
| 444 | N | A | -3.2559 | |
| 445 | G | A | -2.8018 | |
| 446 | F | A | 0.0000 | |
| 447 | G | A | -2.8581 | |
| 448 | K | A | -2.8861 | |
| 449 | A | A | -1.8452 | |
| 450 | W | A | 0.0000 | |
| 451 | R | A | -2.4289 | |
| 452 | G | A | -1.6483 | |
| 453 | F | A | -1.1956 | |
| 454 | P | A | -1.0486 | |
| 455 | L | A | -0.8818 | |
| 456 | E | A | -1.8645 | |
| 457 | R | A | -1.5568 | |
| 458 | Q | A | 0.0000 | |
| 459 | I | A | -0.8108 | |
| 460 | A | A | -0.9889 | |
| 461 | I | A | 0.0000 | |
| 462 | V | A | 0.0000 | |
| 463 | E | A | -1.2883 | |
| 464 | K | A | -0.9065 | |
| 465 | L | A | 0.0000 | |
| 466 | M | A | -0.6777 | |
| 467 | T | A | -0.5040 | |
| 468 | V | A | -0.5287 | |
| 469 | E | A | -0.4515 | |
| 470 | V | A | 0.5737 | |
| 471 | E | A | -0.7228 | |
| 472 | A | A | -0.8970 | |
| 473 | E | A | -1.9095 | |
| 474 | L | A | 0.0000 | |
| 475 | V | A | -2.2878 | |
| 476 | D | A | -3.4148 | |
| 477 | W | A | -2.6496 | |
| 478 | L | A | 0.0000 | |
| 479 | E | A | -3.5447 | |
| 480 | Q | A | -3.3250 | |
| 481 | E | A | -3.0948 | |
| 482 | C | A | -2.0436 | |
| 483 | G | A | -2.0490 | |
| 484 | L | A | -2.1054 | |
| 485 | G | A | -1.9826 | |
| 486 | P | A | -2.1045 | |
| 487 | E | A | -2.8194 | |
| 488 | A | A | -2.7540 | |
| 489 | A | A | 0.0000 | |
| 490 | A | A | -2.1880 | |
| 491 | R | A | -3.0537 | |
| 492 | V | A | 0.0000 | |
| 493 | A | A | 0.0000 | |
| 494 | N | A | -1.8127 | |
| 495 | T | A | -1.6283 | |
| 496 | S | A | -1.8234 | |
| 497 | L | A | -0.9567 | |
| 498 | P | A | -0.9850 | |
| 499 | E | A | -2.1449 | |
| 500 | G | A | -1.2970 | |
| 501 | H | A | -1.3861 | |
| 502 | C | A | 0.0000 | |
| 503 | R | A | -2.4222 | |
| 504 | L | A | 0.0000 | |
| 505 | G | A | 0.0000 | |
| 506 | L | A | -1.3299 | |
| 507 | R | A | -1.7892 | |
| 508 | A | A | 0.0000 | |
| 509 | I | A | 0.0000 | |
| 510 | K | A | -2.5732 | |
| 511 | K | A | -2.3412 | |
| 512 | I | A | 0.0000 | |
| 513 | V | A | 0.0000 | |
| 514 | P | A | -1.4542 | |
| 515 | V | A | -1.2562 | |
| 516 | M | A | 0.0000 | |
| 517 | Q | A | -1.4865 | |
| 518 | N | A | -1.9106 | |
| 519 | E | A | -1.5130 | |
| 520 | V | A | -0.5063 | |
| 521 | G | A | 0.0000 | |
| 522 | D | A | -2.5730 | |
| 523 | D | A | -2.4130 | |
| 524 | G | A | -1.1860 | |
| 525 | L | A | 0.0659 | |
| 526 | S | A | 0.0000 | |
| 527 | G | A | 0.0000 | |
| 528 | A | A | 0.0000 | |
| 529 | G | A | -0.3648 | |
| 530 | Y | A | -0.0339 | |
| 531 | Y | A | 0.1873 | |
| 532 | E | A | -1.0063 | |
| 533 | A | A | 0.0000 | |
| 534 | A | A | 0.0000 | |
| 535 | K | A | -2.1951 | |
| 536 | R | A | -1.7308 | |
| 537 | V | A | -1.3468 | |
| 538 | G | A | -1.6343 | |
| 539 | Y | A | -1.9404 | |
| 540 | D | A | -2.8680 | |
| 541 | H | A | -1.9262 | |
| 542 | A | A | -1.4711 | |
| 543 | K | A | -2.1386 | |
| 544 | L | A | -0.9090 | |
| 545 | P | A | -0.7868 | |
| 546 | S | A | -0.9307 | |
| 547 | G | A | -1.3169 | |
| 548 | G | A | -1.6509 | |
| 549 | D | A | -2.2508 | |
| 550 | L | A | -1.3309 | |
| 551 | D | A | -2.0543 | |
| 552 | Y | A | -0.9753 | |
| 553 | L | A | 0.0000 | |
| 554 | P | A | -0.5525 | |
| 555 | Y | A | -0.9618 | |
| 556 | Y | A | 0.0000 | |
| 557 | G | A | 0.0000 | |
| 558 | K | A | -1.8520 | |
| 559 | W | A | -0.7226 | |
| 560 | L | A | 0.0000 | |
| 561 | A | A | -1.2509 | |
| 562 | D | A | -2.3574 | |
| 563 | A | A | -1.2832 | |
| 564 | V | A | 0.0000 | |
| 565 | V | A | -0.2085 | |
| 566 | G | A | -1.0749 | |
| 567 | S | A | -1.0824 | |
| 568 | G | A | -1.2116 | |
| 569 | D | A | -1.9378 | |
| 570 | A | A | -1.7631 | |
| 571 | R | A | -2.7020 | |
| 572 | D | A | -2.7128 | |
| 573 | G | A | -2.6223 | |
| 574 | N | A | -3.2871 | |
| 575 | E | A | -3.2482 | |
| 576 | R | A | -3.5345 | |
| 577 | Q | A | -2.8647 | |
| 578 | F | A | -1.6807 | |
| 579 | G | A | 0.0000 | |
| 580 | Q | A | -1.6917 | |
| 581 | F | A | 0.0000 | |
| 582 | P | A | -0.5456 | |
| 583 | N | A | -0.6307 | |
| 584 | P | A | -0.6800 | |
| 585 | T | A | 0.0000 | |
| 586 | V | A | 0.0000 | |
| 587 | H | A | -0.5341 | |
| 588 | I | A | -0.2439 | |
| 589 | G | A | 0.0000 | |
| 590 | L | A | 0.0000 | |
| 591 | G | A | -0.5891 | |
| 592 | Q | A | 0.0000 | |
| 593 | L | A | 0.0000 | |
| 594 | R | A | -1.3032 | |
| 595 | R | A | -1.7156 | |
| 596 | L | A | 0.0000 | |
| 597 | V | A | 0.0000 | |
| 598 | N | A | -1.4610 | |
| 599 | E | A | -1.2895 | |
| 600 | L | A | 0.0000 | |
| 601 | I | A | 0.0000 | |
| 602 | R | A | -2.0612 | |
| 603 | A | A | -1.1184 | |
| 604 | Y | A | -1.3225 | |
| 605 | G | A | -1.5968 | |
| 606 | P | A | -1.0828 | |
| 607 | P | A | 0.0000 | |
| 608 | T | A | -0.8244 | |
| 609 | E | A | 0.0000 | |
| 610 | I | A | 0.0000 | |
| 611 | S | A | 0.0000 | |
| 612 | I | A | 0.0000 | |
| 613 | E | A | -0.4662 | |
| 614 | F | A | 0.0000 | |
| 615 | T | A | -0.8321 | |
| 616 | R | A | -1.2227 | |
| 617 | A | A | 0.0000 | |
| 618 | L | A | 0.0000 | |
| 619 | R | A | -0.7659 | |
| 620 | L | A | -1.3056 | |
| 621 | S | A | -1.9330 | |
| 622 | E | A | -3.1759 | |
| 623 | D | A | -3.2376 | |
| 624 | Q | A | -2.8997 | |
| 625 | K | A | -2.7299 | |
| 626 | A | A | -2.6213 | |
| 627 | Q | A | -3.1336 | |
| 628 | V | A | -2.6731 | |
| 629 | Q | A | -3.3399 | |
| 630 | R | A | -4.5177 | |
| 631 | E | A | -4.6580 | |
| 632 | Q | A | -4.1165 | |
| 633 | R | A | -5.2575 | |
| 634 | K | A | -5.4288 | |
| 635 | N | A | -4.4556 | |
| 636 | Q | A | -4.5548 | |
| 637 | D | A | -4.8507 | |
| 638 | K | A | -3.8074 | |
| 639 | N | A | -3.3419 | |
| 640 | R | A | -3.5784 | |
| 641 | A | A | -2.2875 | |
| 642 | R | A | 0.0000 | |
| 643 | A | A | 0.0000 | |
| 644 | A | A | -2.1591 | |
| 645 | E | A | -2.5736 | |
| 646 | L | A | 0.0000 | |
| 647 | E | A | -2.6804 | |
| 648 | Q | A | -2.3496 | |
| 649 | L | A | -1.2177 | |
| 650 | G | A | -1.1430 | |
| 651 | F | A | -0.7617 | |
| 652 | P | A | -0.9551 | |
| 653 | A | A | -1.4520 | |
| 654 | N | A | -1.1418 | |
| 655 | P | A | -1.3463 | |
| 656 | R | A | -2.0582 | |
| 657 | N | A | -1.0478 | |
| 658 | L | A | -1.2392 | |
| 659 | L | A | -0.6615 | |
| 660 | K | A | 0.0000 | |
| 661 | M | A | 0.0000 | |
| 662 | R | A | -0.9420 | |
| 663 | L | A | 0.0000 | |
| 664 | W | A | -0.1759 | |
| 665 | E | A | -0.4756 | |
| 666 | E | A | -0.3324 | |
| 667 | L | A | 0.0000 | |
| 668 | N | A | -0.5980 | |
| 669 | L | A | 0.0855 | |
| 670 | R | A | -1.4915 | |
| 671 | D | A | -1.0524 | |
| 672 | P | A | -0.4458 | |
| 673 | L | A | 0.0989 | |
| 674 | D | A | -1.4161 | |
| 675 | R | A | -1.3656 | |
| 676 | K | A | -1.7299 | |
| 677 | C | A | 0.0000 | |
| 678 | V | A | 0.0000 | |
| 679 | Y | A | 0.0000 | |
| 680 | T | A | -1.1461 | |
| 681 | G | A | -1.2904 | |
| 682 | E | A | -1.5291 | |
| 683 | Q | A | -1.9013 | |
| 684 | I | A | 0.0000 | |
| 685 | S | A | -1.1125 | |
| 686 | I | A | -0.8492 | |
| 687 | E | A | -1.7616 | |
| 688 | R | A | -2.0308 | |
| 689 | L | A | 0.0000 | |
| 690 | L | A | -1.2916 | |
| 691 | S | A | -1.9593 | |
| 692 | E | A | -2.7573 | |
| 693 | E | A | -2.5365 | |
| 694 | V | A | 0.0000 | |
| 695 | D | A | -1.7420 | |
| 696 | I | A | -0.4535 | |
| 697 | D | A | 0.0000 | |
| 698 | H | A | 0.0000 | |
| 699 | I | A | 0.0000 | |
| 700 | L | A | 0.0000 | |
| 701 | P | A | 0.0000 | |
| 702 | V | A | 0.0000 | |
| 703 | A | A | -0.7581 | |
| 704 | M | A | -0.3678 | |
| 705 | T | A | 0.0000 | |
| 706 | L | A | 0.0000 | |
| 707 | D | A | -0.7123 | |
| 708 | N | A | -0.7391 | |
| 709 | S | A | -0.4700 | |
| 710 | A | A | -0.2800 | |
| 711 | A | A | -0.7125 | |
| 712 | N | A | 0.0000 | |
| 713 | K | A | 0.0000 | |
| 714 | I | A | 0.0000 | |
| 715 | V | A | 0.0000 | |
| 716 | C | A | 0.0000 | |
| 717 | M | A | 0.0000 | |
| 718 | R | A | -1.9803 | |
| 719 | Y | A | -1.2680 | |
| 720 | A | A | 0.0000 | |
| 721 | N | A | -2.1208 | |
| 722 | R | A | -2.9568 | |
| 723 | H | A | 0.0000 | |
| 724 | K | A | 0.0000 | |
| 725 | R | A | -3.6794 | |
| 726 | K | A | -3.4642 | |
| 727 | Q | A | -2.2954 | |
| 728 | T | A | 0.0000 | |
| 729 | P | A | 0.0000 | |
| 730 | F | A | -0.2653 | |
| 731 | E | A | -1.5769 | |
| 732 | A | A | -1.2308 | |
| 733 | F | A | 0.0000 | |
| 734 | G | A | -0.5518 | |
| 735 | S | A | -0.2064 | |
| 736 | S | A | -0.5313 | |
| 737 | P | A | -0.1795 | |
| 738 | L | A | 0.0940 | |
| 739 | V | A | -0.4877 | |
| 740 | Q | A | -1.5024 | |
| 741 | G | A | -1.5086 | |
| 742 | R | A | -2.0797 | |
| 743 | R | A | -1.9847 | |
| 744 | Y | A | 0.0000 | |
| 745 | A | A | -1.3977 | |
| 746 | W | A | -1.4284 | |
| 747 | D | A | -2.4908 | |
| 748 | D | A | -2.3351 | |
| 749 | I | A | 0.0000 | |
| 750 | A | A | -1.4518 | |
| 751 | T | A | -1.1776 | |
| 752 | R | A | -1.1428 | |
| 753 | A | A | 0.0000 | |
| 754 | A | A | -0.8612 | |
| 755 | A | A | -0.4939 | |
| 756 | L | A | 0.0000 | |
| 757 | P | A | -1.1917 | |
| 758 | R | A | -2.6802 | |
| 759 | N | A | -2.0585 | |
| 760 | K | A | 0.0000 | |
| 761 | R | A | -1.3227 | |
| 762 | W | A | -1.0786 | |
| 763 | R | A | 0.0000 | |
| 764 | F | A | 0.0000 | |
| 765 | D | A | 0.0000 | |
| 766 | A | A | -1.0176 | |
| 767 | D | A | -1.7617 | |
| 768 | A | A | 0.0000 | |
| 769 | R | A | -2.4282 | |
| 770 | E | A | -3.1800 | |
| 771 | Q | A | 0.0000 | |
| 772 | F | A | 0.0000 | |
| 773 | D | A | -3.9064 | |
| 774 | K | A | -3.6572 | |
| 775 | R | A | -3.1362 | |
| 776 | G | A | -2.6031 | |
| 777 | G | A | -2.4224 | |
| 778 | F | A | 0.0000 | |
| 779 | L | A | -0.5464 | |
| 780 | A | A | -1.6090 | |
| 781 | R | A | -2.2488 | |
| 782 | Q | A | 0.0000 | |
| 783 | L | A | 0.0000 | |
| 784 | N | A | -1.6130 | |
| 785 | E | A | -1.3006 | |
| 786 | T | A | -0.8578 | |
| 787 | G | A | -0.2826 | |
| 788 | W | A | 0.4014 | |
| 789 | L | A | 0.0000 | |
| 790 | A | A | 0.0000 | |
| 791 | R | A | -1.9117 | |
| 792 | L | A | 0.0000 | |
| 793 | A | A | 0.0000 | |
| 794 | K | A | -1.5700 | |
| 795 | E | A | -1.1895 | |
| 796 | Y | A | 0.0000 | |
| 797 | L | A | 0.0000 | |
| 798 | G | A | 0.0000 | |
| 799 | A | A | 0.0000 | |
| 800 | V | A | 0.0000 | |
| 801 | T | A | 0.0000 | |
| 802 | D | A | -1.6127 | |
| 803 | P | A | 0.0000 | |
| 804 | N | A | -1.7838 | |
| 805 | R | A | -1.6097 | |
| 806 | I | A | 0.0000 | |
| 807 | W | A | 0.0000 | |
| 808 | V | A | 0.0000 | |
| 809 | V | A | 0.0000 | |
| 810 | P | A | -0.9751 | |
| 811 | G | A | -1.1437 | |
| 812 | R | A | -1.0609 | |
| 813 | L | A | 0.0000 | |
| 814 | T | A | 0.0000 | |
| 815 | G | A | -0.9192 | |
| 816 | L | A | -0.4645 | |
| 817 | L | A | 0.0000 | |
| 818 | R | A | 0.0000 | |
| 819 | G | A | -1.1120 | |
| 820 | K | A | -1.1749 | |
| 821 | W | A | 0.0000 | |
| 822 | G | A | -0.7241 | |
| 823 | L | A | 0.0000 | |
| 824 | N | A | -1.0043 | |
| 825 | A | A | -0.7910 | |
| 826 | L | A | -1.0523 | |
| 827 | L | A | 0.0000 | |
| 828 | P | A | -0.7139 | |
| 829 | D | A | 0.0000 | |
| 830 | H | A | -1.0099 | |
| 831 | N | A | -1.1057 | |
| 832 | Y | A | -0.2608 | |
| 833 | V | A | 0.4592 | |
| 834 | G | A | -0.7306 | |
| 835 | V | A | 0.0000 | |
| 836 | Q | A | -2.3837 | |
| 837 | D | A | -2.7260 | |
| 838 | K | A | -2.2811 | |
| 839 | A | A | -2.1561 | |
| 840 | E | A | -2.6099 | |
| 841 | A | A | -1.4053 | |
| 842 | F | A | -1.0558 | |
| 843 | L | A | -1.3305 | |
| 844 | R | A | -2.3410 | |
| 845 | P | A | -1.7670 | |
| 846 | T | A | -1.2465 | |
| 847 | D | A | -1.5277 | |
| 848 | D | A | -1.1087 | |
| 849 | M | A | -1.0291 | |
| 850 | E | A | -1.5268 | |
| 851 | F | A | 0.6905 | |
| 852 | S | A | -0.1206 | |
| 853 | G | A | -0.3981 | |
| 854 | V | A | -0.5847 | |
| 855 | K | A | -0.8858 | |
| 856 | N | A | -0.8702 | |
| 857 | R | A | -0.6334 | |
| 858 | A | A | -0.7759 | |
| 859 | D | A | 0.0000 | |
| 860 | H | A | 0.0000 | |
| 861 | R | A | 0.0000 | |
| 862 | H | A | 0.0000 | |
| 863 | H | A | -0.2124 | |
| 864 | A | A | 0.0000 | |
| 865 | I | A | 0.0000 | |
| 866 | D | A | -0.3106 | |
| 867 | G | A | 0.0000 | |
| 868 | L | A | 0.0000 | |
| 869 | V | A | 0.0000 | |
| 870 | A | A | 0.0000 | |
| 871 | A | A | 0.0000 | |
| 872 | L | A | 0.0000 | |
| 873 | T | A | 0.0000 | |
| 874 | D | A | 0.0000 | |
| 875 | R | A | -0.7232 | |
| 876 | S | A | -0.8385 | |
| 877 | L | A | 0.0000 | |
| 878 | L | A | 0.0000 | |
| 879 | W | A | -0.0311 | |
| 880 | K | A | -1.2342 | |
| 881 | M | A | 0.0000 | |
| 882 | A | A | 0.0000 | |
| 883 | N | A | -1.1948 | |
| 884 | A | A | -0.8943 | |
| 885 | Y | A | -1.7424 | |
| 886 | D | A | -3.0035 | |
| 887 | D | A | -4.4809 | |
| 888 | E | A | -4.2319 | |
| 889 | R | A | -4.4020 | |
| 890 | E | A | -3.8109 | |
| 891 | K | A | -3.1604 | |
| 892 | F | A | 0.0000 | |
| 893 | V | A | 0.4536 | |
| 894 | V | A | -0.3414 | |
| 895 | E | A | -1.3881 | |
| 896 | L | A | -0.5272 | |
| 897 | P | A | -0.2953 | |
| 898 | W | A | 0.0042 | |
| 899 | P | A | -0.8022 | |
| 900 | T | A | -1.1117 | |
| 901 | M | A | 0.0000 | |
| 902 | R | A | -1.9255 | |
| 903 | D | A | -2.7596 | |
| 904 | D | A | -1.9709 | |
| 905 | L | A | 0.0000 | |
| 906 | K | A | -2.5893 | |
| 907 | A | A | -2.1897 | |
| 908 | A | A | -1.8523 | |
| 909 | L | A | 0.0000 | |
| 910 | D | A | -2.7841 | |
| 911 | K | A | -2.6217 | |
| 912 | M | A | 0.0000 | |
| 913 | V | A | -0.6379 | |
| 914 | V | A | 0.0000 | |
| 915 | S | A | 0.0000 | |
| 916 | H | A | -0.9449 | |
| 917 | K | A | -1.4854 | |
| 918 | P | A | -1.9590 | |
| 919 | D | A | -2.6743 | |
| 920 | H | A | -1.9699 | |
| 921 | G | A | -1.3946 | |
| 922 | V | A | -1.2456 | |
| 923 | Q | A | -2.1052 | |
| 924 | G | A | -2.4245 | |
| 925 | K | A | -3.0572 | |
| 926 | L | A | -1.5190 | |
| 927 | H | A | -2.0081 | |
| 928 | E | A | -2.9332 | |
| 929 | D | A | -2.7542 | |
| 930 | S | A | -1.5225 | |
| 931 | A | A | -0.8840 | |
| 932 | Y | A | 0.0000 | |
| 933 | G | A | -0.1800 | |
| 934 | L | A | 0.0038 | |
| 935 | L | A | -1.1297 | |
| 936 | D | A | -2.5738 | |
| 937 | R | A | -2.7892 | |
| 938 | P | A | -2.0669 | |
| 939 | E | A | -2.1629 | |
| 940 | P | A | -2.5108 | |
| 941 | V | A | -2.3945 | |
| 942 | E | A | -3.4529 | |
| 943 | D | A | -3.1262 | |
| 944 | G | A | -2.4283 | |
| 945 | D | A | -2.7160 | |
| 946 | S | A | -1.9908 | |
| 947 | E | A | -2.8353 | |
| 948 | P | A | -2.5825 | |
| 949 | A | A | 0.0000 | |
| 950 | N | A | -2.0524 | |
| 951 | L | A | 0.0000 | |
| 952 | V | A | 0.0000 | |
| 953 | Y | A | -1.2311 | |
| 954 | R | A | -2.6029 | |
| 955 | K | A | -1.9843 | |
| 956 | A | A | -1.7198 | |
| 957 | V | A | 0.0000 | |
| 958 | E | A | -1.8101 | |
| 959 | T | A | -0.7381 | |
| 960 | L | A | 0.0000 | |
| 961 | N | A | -2.1643 | |
| 962 | E | A | -3.1816 | |
| 963 | N | A | -2.6166 | |
| 964 | E | A | -2.0520 | |
| 965 | I | A | 0.0000 | |
| 966 | G | A | -2.4633 | |
| 967 | R | A | -2.0123 | |
| 968 | I | A | 0.0000 | |
| 969 | R | A | -2.2882 | |
| 970 | D | A | -2.8676 | |
| 971 | R | A | -3.7659 | |
| 972 | R | A | -3.5976 | |
| 973 | L | A | -2.7656 | |
| 974 | R | A | -3.4006 | |
| 975 | D | A | -3.9614 | |
| 976 | F | A | -2.5206 | |
| 977 | V | A | 0.0000 | |
| 978 | R | A | -4.1023 | |
| 979 | D | A | -3.6760 | |
| 980 | H | A | -2.4675 | |
| 981 | V | A | 0.0000 | |
| 982 | D | A | -3.4020 | |
| 983 | A | A | -2.6768 | |
| 984 | A | A | -2.6656 | |
| 985 | K | A | -3.1768 | |
| 986 | R | A | -3.3430 | |
| 987 | N | A | -2.7036 | |
| 988 | G | A | -1.7747 | |
| 989 | V | A | -1.0470 | |
| 990 | A | A | -0.7514 | |
| 991 | L | A | -1.2296 | |
| 992 | A | A | -1.2796 | |
| 993 | D | A | -2.4207 | |
| 994 | A | A | 0.0000 | |
| 995 | L | A | 0.0000 | |
| 996 | R | A | -3.2162 | |
| 997 | Q | A | -3.0945 | |
| 998 | L | A | 0.0000 | |
| 999 | K | A | -3.1242 | |
| 1000 | E | A | -3.4477 | |
| 1001 | P | A | -2.8831 | |
| 1002 | S | A | -2.9116 | |
| 1003 | D | A | -2.8943 | |
| 1004 | N | A | -2.3143 | |
| 1005 | P | A | -1.9849 | |
| 1006 | H | A | -1.9497 | |
| 1007 | F | A | -2.4206 | |
| 1008 | R | A | -3.6033 | |
| 1009 | H | A | -3.0537 | |
| 1010 | G | A | -3.1713 | |
| 1011 | L | A | 0.0000 | |
| 1012 | R | A | -2.3453 | |
| 1013 | H | A | -2.3700 | |
| 1014 | V | A | 0.0000 | |
| 1015 | R | A | -2.5689 | |
| 1016 | L | A | 0.0000 | |
| 1017 | L | A | 0.0000 | |
| 1018 | K | A | -1.4537 | |
| 1019 | K | A | -2.7750 | |
| 1020 | E | A | -2.4286 | |
| 1021 | K | A | -2.7134 | |
| 1022 | A | A | -1.8859 | |
| 1023 | D | A | -2.2754 | |
| 1024 | Y | A | -1.4637 | |
| 1025 | L | A | 0.0000 | |
| 1026 | V | A | 0.0000 | |
| 1027 | P | A | 0.1009 | |
| 1028 | V | A | 0.0827 | |
| 1029 | V | A | -0.4178 | |
| 1030 | D | A | -1.5749 | |
| 1031 | R | A | -2.3445 | |
| 1032 | A | A | -1.3564 | |
| 1033 | T | A | -1.3144 | |
| 1034 | G | A | -1.7358 | |
| 1035 | R | A | -2.0272 | |
| 1036 | T | A | -0.4523 | |
| 1037 | Y | A | 0.7714 | |
| 1038 | K | A | 0.2978 | |
| 1039 | A | A | 0.0000 | |
| 1040 | Y | A | -0.6873 | |
| 1041 | S | A | 0.0000 | |
| 1042 | A | A | 0.0000 | |
| 1043 | G | A | -1.8661 | |
| 1044 | E | A | -1.8261 | |
| 1045 | N | A | 0.0000 | |
| 1046 | Y | A | -0.7185 | |
| 1047 | C | A | 0.0000 | |
| 1048 | V | A | 0.0000 | |
| 1049 | E | A | 0.0000 | |
| 1050 | V | A | 0.0000 | |
| 1051 | F | A | -0.9006 | |
| 1052 | E | A | -1.6254 | |
| 1053 | T | A | -1.6848 | |
| 1054 | A | A | -1.6261 | |
| 1055 | D | A | -2.3784 | |
| 1056 | G | A | -2.1122 | |
| 1057 | K | A | -2.3224 | |
| 1058 | W | A | -1.5504 | |
| 1059 | S | A | -0.6477 | |
| 1060 | G | A | -0.3728 | |
| 1061 | E | A | 0.0000 | |
| 1062 | A | A | -0.5459 | |
| 1063 | V | A | 0.0000 | |
| 1064 | R | A | -0.6410 | |
| 1065 | R | A | 0.0000 | |
| 1066 | F | A | -0.7324 | |
| 1067 | D | A | -0.9125 | |
| 1068 | A | A | 0.0000 | |
| 1069 | N | A | -1.8281 | |
| 1070 | K | A | -2.2087 | |
| 1071 | S | A | -1.9102 | |
| 1072 | N | A | -2.0349 | |
| 1073 | C | A | -1.5281 | |
| 1074 | G | A | -1.5784 | |
| 1075 | P | A | -1.3241 | |
| 1076 | K | A | -2.1292 | |
| 1077 | T | A | -1.4385 | |
| 1078 | P | A | -0.7487 | |
| 1079 | H | A | -0.5598 | |
| 1080 | V | A | 0.7833 | |
| 1081 | P | A | 0.0000 | |
| 1082 | R | A | -2.1528 | |
| 1083 | W | A | 0.0000 | |
| 1084 | R | A | -1.9909 | |
| 1085 | T | A | -1.6854 | |
| 1086 | E | A | -2.7331 | |
| 1087 | G | A | -2.0337 | |
| 1088 | A | A | -1.1446 | |
| 1089 | G | A | -1.5175 | |
| 1090 | A | A | -1.9436 | |
| 1091 | R | A | -2.1528 | |
| 1092 | L | A | -1.2104 | |
| 1093 | V | A | -0.8754 | |
| 1094 | M | A | 0.0000 | |
| 1095 | R | A | -1.1205 | |
| 1096 | I | A | 0.0000 | |
| 1097 | H | A | 0.0000 | |
| 1098 | K | A | -1.9057 | |
| 1099 | G | A | -1.5588 | |
| 1100 | D | A | -1.5867 | |
| 1101 | L | A | 0.0000 | |
| 1102 | I | A | 0.0000 | |
| 1103 | R | A | -1.4015 | |
| 1104 | L | A | 0.0000 | |
| 1105 | E | A | -2.7336 | |
| 1106 | Y | A | -2.2129 | |
| 1107 | E | A | -2.7718 | |
| 1108 | G | A | -2.4878 | |
| 1109 | R | A | -3.0897 | |
| 1110 | T | A | -2.1721 | |
| 1111 | R | A | -1.8978 | |
| 1112 | I | A | 0.0000 | |
| 1113 | M | A | 0.0000 | |
| 1114 | V | A | 0.0000 | |
| 1115 | V | A | 0.0000 | |
| 1116 | H | A | -1.2933 | |
| 1117 | R | A | -1.9361 | |
| 1118 | L | A | 0.0000 | |
| 1119 | D | A | -0.8267 | |
| 1120 | A | A | -0.5068 | |
| 1121 | A | A | -0.5851 | |
| 1122 | A | A | -0.3073 | |
| 1123 | G | A | -0.5674 | |
| 1124 | R | A | -1.0674 | |
| 1125 | F | A | 0.0000 | |
| 1126 | K | A | -0.9092 | |
| 1127 | L | A | 0.0000 | |
| 1128 | A | A | 0.0000 | |
| 1129 | A | A | -0.4494 | |
| 1130 | H | A | -0.3708 | |
| 1131 | N | A | -0.3429 | |
| 1132 | E | A | -0.7450 | |
| 1133 | T | A | -0.8335 | |
| 1134 | G | A | -1.8715 | |
| 1135 | N | A | -2.7797 | |
| 1136 | L | A | 0.0000 | |
| 1137 | D | A | -3.2365 | |
| 1138 | K | A | -2.9607 | |
| 1139 | R | A | -2.5397 | |
| 1140 | H | A | -2.5460 | |
| 1141 | A | A | -1.8914 | |
| 1142 | T | A | -2.1998 | |
| 1143 | D | A | -2.9572 | |
| 1144 | N | A | -2.9190 | |
| 1145 | D | A | -2.3711 | |
| 1146 | I | A | -0.9318 | |
| 1147 | D | A | 0.0000 | |
| 1148 | P | A | -1.6509 | |
| 1149 | F | A | 0.0000 | |
| 1150 | R | A | -1.2639 | |
| 1151 | W | A | -0.5893 | |
| 1152 | L | A | 0.0000 | |
| 1153 | M | A | -0.0089 | |
| 1154 | A | A | 0.0000 | |
| 1155 | S | A | -0.7665 | |
| 1156 | Y | A | 0.0000 | |
| 1157 | G | A | -1.3779 | |
| 1158 | T | A | -0.9784 | |
| 1159 | L | A | 0.0000 | |
| 1160 | K | A | -2.0216 | |
| 1161 | K | A | -2.2109 | |
| 1162 | M | A | -1.7272 | |
| 1163 | A | A | -1.0811 | |
| 1164 | A | A | 0.0000 | |
| 1165 | V | A | -0.5899 | |
| 1166 | P | A | 0.0000 | |
| 1167 | V | A | 0.0000 | |
| 1168 | R | A | -1.6297 | |
| 1169 | V | A | 0.0000 | |
| 1170 | D | A | 0.0000 | |
| 1171 | E | A | 0.0000 | |
| 1172 | L | A | 0.0000 | |
| 1173 | G | A | -0.5681 | |
| 1174 | R | A | -0.4252 | |
| 1175 | V | A | -0.3106 | |
| 1176 | W | A | -0.7352 | |
| 1177 | R | A | -1.7630 | |
| 1178 | I | A | -1.0356 | |
| 1179 | D | A | -1.7869 | |
| 1180 | P | A | -1.8204 | |
| 1181 | R | A | -2.2712 |
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 | -1.2278 | 3.4072 | View | CSV | PDB |
| 4.5 | -1.3108 | 3.3063 | View | CSV | PDB |
| 5.0 | -1.408 | 3.2011 | View | CSV | PDB |
| 5.5 | -1.5025 | 3.0962 | View | CSV | PDB |
| 6.0 | -1.5781 | 3.019 | View | CSV | PDB |
| 6.5 | -1.6242 | 2.9676 | View | CSV | PDB |
| 7.0 | -1.6429 | 2.9398 | View | CSV | PDB |
| 7.5 | -1.6441 | 2.9261 | View | CSV | PDB |
| 8.0 | -1.6346 | 2.9963 | View | CSV | PDB |
| 8.5 | -1.6144 | 3.0823 | View | CSV | PDB |
| 9.0 | -1.5807 | 3.1684 | 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