| Chain sequence(s) |
A: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDELTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSLSQLPRGRQPISDPFAGANDRETGGQATDTPVYNFNSLNNRRYDNYDSDSEDRIDNDQDQAIRENRGEPGQPNNQTSENQQRLNLPVPQCTSGMSSEEFQHSMNQYIRAMHEQYRGSQDDDANDATDGNDISLELVGDFDSHHHHHH
B: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDELTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSL 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:15:41)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/8437ed1a9c285c4/tmp/folded.pdb (00:15:41)
[INFO] Main: Simulation completed successfully. (00:20:39)
|
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 | -0.7753 | |
| 2 | S | A | -0.6796 | |
| 3 | V | A | -0.4063 | |
| 4 | L | A | -0.7721 | |
| 5 | K | A | -1.9998 | |
| 6 | T | A | 0.0000 | |
| 7 | F | A | 0.0000 | |
| 8 | E | A | -1.6946 | |
| 9 | R | A | -1.9054 | |
| 10 | F | A | 0.0000 | |
| 11 | T | A | -1.3167 | |
| 12 | I | A | -1.0367 | |
| 13 | Q | A | -1.5519 | |
| 14 | Q | A | -1.2286 | |
| 15 | E | A | -0.8291 | |
| 16 | L | A | -0.6292 | |
| 17 | Q | A | -1.6987 | |
| 18 | E | A | -1.8777 | |
| 19 | Q | A | -2.1376 | |
| 20 | S | A | -2.3460 | |
| 21 | E | A | -3.0285 | |
| 22 | D | A | -2.5322 | |
| 23 | T | A | -1.6152 | |
| 24 | P | A | -0.0609 | |
| 25 | I | A | 1.0722 | |
| 26 | P | A | 0.5692 | |
| 27 | L | A | -0.3030 | |
| 28 | E | A | -1.7655 | |
| 29 | T | A | 0.0000 | |
| 30 | I | A | 0.0000 | |
| 31 | R | A | -2.4438 | |
| 32 | P | A | -1.3917 | |
| 33 | T | A | -1.0493 | |
| 34 | I | A | 0.0000 | |
| 35 | R | A | -1.5311 | |
| 36 | V | A | 0.0000 | |
| 37 | F | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | N | A | -2.0309 | |
| 41 | N | A | -2.0238 | |
| 42 | N | A | -2.1136 | |
| 43 | D | A | -2.0386 | |
| 44 | P | A | -1.5213 | |
| 45 | V | A | -0.3078 | |
| 46 | V | A | -0.3327 | |
| 47 | R | A | 0.0000 | |
| 48 | S | A | 0.0000 | |
| 49 | R | A | -0.3932 | |
| 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 | -0.8816 | |
| 57 | I | A | 0.0000 | |
| 58 | I | A | 0.0000 | |
| 59 | M | A | 0.0000 | |
| 60 | S | A | 0.0000 | |
| 61 | N | A | -1.9312 | |
| 62 | T | A | -1.3552 | |
| 63 | A | A | 0.0000 | |
| 64 | R | A | -2.1342 | |
| 65 | E | A | -2.1663 | |
| 66 | G | A | -1.5872 | |
| 67 | H | A | -1.2979 | |
| 68 | R | A | -1.3220 | |
| 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 | -0.2597 | |
| 80 | S | A | -0.3580 | |
| 81 | A | A | -0.7172 | |
| 82 | A | A | -0.9204 | |
| 83 | M | A | 0.0000 | |
| 84 | S | A | -1.4580 | |
| 85 | N | A | -1.5516 | |
| 86 | H | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | K | A | -1.4878 | |
| 89 | L | A | -0.5460 | |
| 90 | A | A | 0.0000 | |
| 91 | M | A | -0.4518 | |
| 92 | H | A | -0.8950 | |
| 93 | S | A | 0.0000 | |
| 94 | P | A | -1.0185 | |
| 95 | E | A | -1.1442 | |
| 96 | A | A | 0.0000 | |
| 97 | S | A | -1.1933 | |
| 98 | I | A | 0.0000 | |
| 99 | D | A | -1.8258 | |
| 100 | R | A | -2.3510 | |
| 101 | V | A | 0.0000 | |
| 102 | E | A | -1.3440 | |
| 103 | I | A | 0.0000 | |
| 104 | T | A | -0.4404 | |
| 105 | G | A | 0.0000 | |
| 106 | F | A | -0.7087 | |
| 107 | E | A | -1.8151 | |
| 108 | N | A | -2.3598 | |
| 109 | N | A | -2.4234 | |
| 110 | S | A | -1.7146 | |
| 111 | F | A | -1.0184 | |
| 112 | R | A | -1.1312 | |
| 113 | V | A | 0.0000 | |
| 114 | I | A | 0.0825 | |
| 115 | P | A | -0.4626 | |
| 116 | D | A | -0.9200 | |
| 117 | A | A | -0.9488 | |
| 118 | R | A | -1.9836 | |
| 119 | T | A | -1.2970 | |
| 120 | S | A | -0.8934 | |
| 121 | T | A | -0.9053 | |
| 122 | M | A | -0.7214 | |
| 123 | S | A | -1.2619 | |
| 124 | R | A | -2.0607 | |
| 125 | G | A | -1.4505 | |
| 126 | E | A | -1.1338 | |
| 127 | V | A | 0.0000 | |
| 128 | L | A | -0.3201 | |
| 129 | A | A | -0.5143 | |
| 130 | F | A | 0.0000 | |
| 131 | E | A | -0.7422 | |
| 132 | A | A | -0.6750 | |
| 133 | L | A | -0.9637 | |
| 134 | A | A | 0.0000 | |
| 135 | E | A | -2.3412 | |
| 136 | D | A | -1.9700 | |
| 137 | I | A | 0.0000 | |
| 138 | P | A | 0.0000 | |
| 139 | D | A | -2.2958 | |
| 140 | E | A | -2.5930 | |
| 141 | L | A | -0.2561 | |
| 142 | T | A | -0.8304 | |
| 143 | L | A | 0.0000 | |
| 144 | N | A | -2.4797 | |
| 145 | H | A | -2.5404 | |
| 146 | Q | A | -2.5980 | |
| 147 | T | A | 0.0000 | |
| 148 | P | A | 0.0000 | |
| 149 | F | A | 0.0000 | |
| 150 | V | A | 0.0924 | |
| 151 | N | A | -0.7423 | |
| 152 | L | A | 0.5270 | |
| 153 | Q | A | -1.2376 | |
| 154 | N | A | -2.3237 | |
| 155 | D | A | -2.2864 | |
| 156 | V | A | 0.0000 | |
| 157 | E | A | -1.2871 | |
| 158 | D | A | -2.1708 | |
| 159 | D | A | -0.7633 | |
| 160 | I | A | 0.7099 | |
| 161 | F | A | 0.0000 | |
| 162 | D | A | -2.2101 | |
| 163 | E | A | -2.7497 | |
| 164 | T | A | -2.4375 | |
| 165 | E | A | -2.8038 | |
| 166 | K | A | -1.9770 | |
| 167 | F | A | 0.0000 | |
| 168 | L | A | -1.0481 | |
| 169 | D | A | -1.1437 | |
| 170 | V | A | 0.0000 | |
| 171 | C | A | 0.0000 | |
| 172 | Y | A | 0.0000 | |
| 173 | S | A | 0.0000 | |
| 174 | V | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | M | A | 0.0000 | |
| 177 | Q | A | 0.0000 | |
| 178 | A | A | 0.0000 | |
| 179 | W | A | 0.0000 | |
| 180 | I | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | T | A | 0.0000 | |
| 183 | C | A | 0.0000 | |
| 184 | K | A | -0.9722 | |
| 185 | C | A | 0.0000 | |
| 186 | M | A | -0.8782 | |
| 187 | T | A | -0.7408 | |
| 188 | A | A | -1.0699 | |
| 189 | P | A | -1.5295 | |
| 190 | D | A | -2.0593 | |
| 191 | Q | A | -1.0219 | |
| 192 | P | A | -0.2801 | |
| 193 | P | A | -0.0740 | |
| 194 | V | A | 0.9711 | |
| 195 | S | A | 0.1065 | |
| 196 | V | A | -0.0513 | |
| 197 | A | A | -0.3291 | |
| 198 | K | A | -1.4696 | |
| 199 | R | A | 0.0000 | |
| 200 | M | A | 0.0000 | |
| 201 | A | A | -1.5628 | |
| 202 | K | A | -2.1177 | |
| 203 | Y | A | 0.0000 | |
| 204 | Q | A | -1.9178 | |
| 205 | Q | A | -2.4158 | |
| 206 | Q | A | -2.3936 | |
| 207 | G | A | -1.8233 | |
| 208 | R | A | -1.6278 | |
| 209 | I | A | 0.0000 | |
| 210 | N | A | -0.7883 | |
| 211 | A | A | -0.1481 | |
| 212 | C | A | 0.4960 | |
| 213 | R | A | -0.4128 | |
| 214 | Y | A | 0.0000 | |
| 215 | V | A | 0.3314 | |
| 216 | L | A | 0.0000 | |
| 217 | Q | A | 0.0000 | |
| 218 | P | A | -0.8069 | |
| 219 | E | A | -1.2408 | |
| 220 | A | A | 0.0000 | |
| 221 | Q | A | -1.1500 | |
| 222 | R | A | -2.1998 | |
| 223 | L | A | -0.9870 | |
| 224 | I | A | 0.0000 | |
| 225 | Q | A | -1.1159 | |
| 226 | N | A | -1.2982 | |
| 227 | A | A | 0.0000 | |
| 228 | I | A | 0.0000 | |
| 229 | R | A | -1.0882 | |
| 230 | K | A | -1.8003 | |
| 231 | S | A | 0.0000 | |
| 232 | M | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | R | A | 0.0000 | |
| 236 | H | A | 0.0000 | |
| 237 | F | A | 0.0000 | |
| 238 | M | A | 0.0000 | |
| 239 | T | A | 0.0000 | |
| 240 | Y | A | -0.0074 | |
| 241 | E | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | Q | A | -0.5509 | |
| 244 | L | A | -0.1174 | |
| 245 | S | A | -0.6313 | |
| 246 | Q | A | -0.9907 | |
| 247 | S | A | -0.8915 | |
| 248 | R | A | -1.4935 | |
| 249 | S | A | 0.0445 | |
| 250 | L | A | 1.5415 | |
| 251 | L | A | 1.5490 | |
| 252 | A | A | 0.0368 | |
| 253 | N | A | -1.3652 | |
| 254 | R | A | -1.8803 | |
| 255 | Y | A | 0.0000 | |
| 256 | Y | A | -0.5195 | |
| 257 | A | A | -0.4644 | |
| 258 | M | A | 0.0000 | |
| 259 | V | A | 0.0000 | |
| 260 | G | A | -0.7812 | |
| 261 | D | A | -0.7457 | |
| 262 | I | A | 0.0000 | |
| 263 | G | A | 0.0000 | |
| 264 | K | A | -1.7148 | |
| 265 | Y | A | -0.5743 | |
| 266 | I | A | 0.0000 | |
| 267 | E | A | -1.1501 | |
| 268 | H | A | -0.8885 | |
| 269 | S | A | 0.0000 | |
| 270 | G | A | -0.6070 | |
| 271 | M | A | 0.0000 | |
| 272 | G | A | -0.1828 | |
| 273 | G | A | -0.0864 | |
| 274 | F | A | 0.0000 | |
| 275 | F | A | 0.0621 | |
| 276 | L | A | -0.1441 | |
| 277 | T | A | 0.0000 | |
| 278 | L | A | -0.4397 | |
| 279 | K | A | -1.5880 | |
| 280 | Y | A | 0.0000 | |
| 281 | G | A | 0.0000 | |
| 282 | L | A | -0.6969 | |
| 283 | G | A | -1.2255 | |
| 284 | T | A | -1.4084 | |
| 285 | R | A | -2.3634 | |
| 286 | W | A | -1.0639 | |
| 287 | P | A | -1.2831 | |
| 288 | T | A | 0.0000 | |
| 289 | L | A | 0.0000 | |
| 290 | A | A | 0.0000 | |
| 291 | L | A | 0.0000 | |
| 292 | A | A | 0.0000 | |
| 293 | A | A | 0.0000 | |
| 294 | F | A | 0.0000 | |
| 295 | S | A | 0.0000 | |
| 296 | G | A | -0.5714 | |
| 297 | E | A | 0.0000 | |
| 298 | L | A | -0.3558 | |
| 299 | Q | A | -0.7993 | |
| 300 | K | A | -0.9066 | |
| 301 | L | A | 0.0000 | |
| 302 | K | A | -1.0503 | |
| 303 | A | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | M | A | -0.0461 | |
| 306 | L | A | 0.0542 | |
| 307 | H | A | 0.0000 | |
| 308 | Y | A | -0.2712 | |
| 309 | Q | A | -0.8849 | |
| 310 | S | A | -0.6141 | |
| 311 | L | A | -0.6051 | |
| 312 | G | A | -0.5608 | |
| 313 | P | A | -0.5966 | |
| 314 | M | A | -0.3348 | |
| 315 | A | A | 0.0000 | |
| 316 | K | A | -0.9141 | |
| 317 | Y | A | 0.0000 | |
| 318 | M | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | L | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | E | A | -0.1892 | |
| 323 | S | A | 0.0000 | |
| 324 | P | A | 0.0000 | |
| 325 | K | A | 0.0000 | |
| 326 | L | A | 0.2921 | |
| 327 | M | A | 0.1774 | |
| 328 | D | A | -0.1140 | |
| 329 | F | A | 0.0000 | |
| 330 | V | A | 0.2349 | |
| 331 | P | A | -0.1312 | |
| 332 | S | A | -0.5535 | |
| 333 | E | A | -0.7683 | |
| 334 | Y | A | 0.0000 | |
| 335 | P | A | 0.0000 | |
| 336 | L | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | Y | A | 0.0000 | |
| 339 | S | A | 0.0000 | |
| 340 | Y | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | M | A | 0.0000 | |
| 343 | G | A | 0.0000 | |
| 344 | I | A | 0.0000 | |
| 345 | G | A | 0.0000 | |
| 346 | T | A | 0.0000 | |
| 347 | V | A | -0.4089 | |
| 348 | L | A | 0.0259 | |
| 349 | D | A | -0.6142 | |
| 350 | T | A | -1.3340 | |
| 351 | N | A | -2.1500 | |
| 352 | M | A | 0.0000 | |
| 353 | R | A | -2.5118 | |
| 354 | N | A | -2.3443 | |
| 355 | Y | A | -1.2353 | |
| 356 | A | A | -0.6864 | |
| 357 | Y | A | -0.7261 | |
| 358 | G | A | -0.7047 | |
| 359 | R | A | -1.5105 | |
| 360 | S | A | -1.2991 | |
| 361 | Y | A | -0.8102 | |
| 362 | L | A | 0.0000 | |
| 363 | N | A | 0.0000 | |
| 364 | P | A | -0.2060 | |
| 365 | Q | A | -0.6408 | |
| 366 | Y | A | 0.0000 | |
| 367 | F | A | 0.0000 | |
| 368 | Q | A | -0.7026 | |
| 369 | L | A | 0.0000 | |
| 370 | G | A | 0.0000 | |
| 371 | V | A | -0.9293 | |
| 372 | E | A | -2.1853 | |
| 373 | T | A | 0.0000 | |
| 374 | A | A | 0.0000 | |
| 375 | R | A | -3.2632 | |
| 376 | K | A | -3.3228 | |
| 377 | Q | A | -2.4531 | |
| 378 | Q | A | -2.3380 | |
| 379 | G | A | -1.6024 | |
| 380 | A | A | -1.3573 | |
| 381 | V | A | -1.5877 | |
| 382 | D | A | -3.1898 | |
| 383 | N | A | -3.6208 | |
| 384 | R | A | -3.9741 | |
| 385 | T | A | -2.7556 | |
| 386 | A | A | 0.0000 | |
| 387 | E | A | -3.6363 | |
| 388 | D | A | -2.9399 | |
| 389 | L | A | -0.7046 | |
| 390 | G | A | -1.3542 | |
| 391 | M | A | -1.1832 | |
| 392 | T | A | -0.7545 | |
| 393 | A | A | -0.5316 | |
| 394 | A | A | -0.8794 | |
| 395 | D | A | -1.5498 | |
| 396 | K | A | -1.3832 | |
| 397 | A | A | -0.9909 | |
| 398 | D | A | -1.8787 | |
| 399 | L | A | -0.6814 | |
| 400 | T | A | -0.8631 | |
| 401 | A | A | -0.7615 | |
| 402 | T | A | -0.3835 | |
| 403 | I | A | 0.1665 | |
| 404 | S | A | -0.6293 | |
| 405 | K | A | -0.5448 | |
| 406 | L | A | 1.0767 | |
| 407 | S | A | 0.3943 | |
| 408 | L | A | 1.4100 | |
| 409 | S | A | 0.4183 | |
| 410 | Q | A | -0.2634 | |
| 411 | L | A | 0.5792 | |
| 412 | P | A | -1.3058 | |
| 413 | R | A | -2.6001 | |
| 414 | G | A | -2.5144 | |
| 415 | R | A | -2.6921 | |
| 416 | Q | A | -2.2380 | |
| 417 | P | A | -0.7953 | |
| 418 | I | A | 0.3892 | |
| 419 | S | A | -0.2673 | |
| 420 | D | A | -0.9335 | |
| 421 | P | A | -0.0510 | |
| 422 | F | A | 0.7955 | |
| 423 | A | A | -0.3971 | |
| 424 | G | A | -1.2922 | |
| 425 | A | A | -1.2140 | |
| 426 | N | A | -2.8567 | |
| 427 | D | A | -4.0265 | |
| 428 | R | A | -4.1193 | |
| 429 | E | A | -3.7399 | |
| 430 | T | A | -2.1211 | |
| 431 | G | A | -1.9218 | |
| 432 | G | A | -1.4527 | |
| 433 | Q | A | -1.6914 | |
| 434 | A | A | -1.1843 | |
| 435 | T | A | -1.3354 | |
| 436 | D | A | -2.0352 | |
| 437 | T | A | -0.4811 | |
| 438 | P | A | 0.3541 | |
| 439 | V | A | 2.2145 | |
| 440 | Y | A | 1.8354 | |
| 441 | N | A | 0.2872 | |
| 442 | F | A | 1.4740 | |
| 443 | N | A | -0.3720 | |
| 444 | S | A | -0.0879 | |
| 445 | L | A | 0.2428 | |
| 446 | N | A | -2.1537 | |
| 447 | N | A | -2.6860 | |
| 448 | R | A | -3.3601 | |
| 449 | R | A | -3.3008 | |
| 450 | Y | A | -1.4688 | |
| 451 | D | A | -2.5239 | |
| 452 | N | A | -2.0626 | |
| 453 | Y | A | -1.1603 | |
| 454 | D | A | -2.4593 | |
| 455 | S | A | -1.9066 | |
| 456 | D | A | -2.8440 | |
| 457 | S | A | -2.4019 | |
| 458 | E | A | -2.0384 | |
| 459 | D | A | -3.3095 | |
| 460 | R | A | -2.6009 | |
| 461 | I | A | -1.6996 | |
| 462 | D | A | -1.8542 | |
| 463 | N | A | -2.3487 | |
| 464 | D | A | -2.2727 | |
| 465 | Q | A | -2.7818 | |
| 466 | D | A | -2.2463 | |
| 467 | Q | A | -1.8576 | |
| 468 | A | A | -0.8746 | |
| 469 | I | A | -0.0418 | |
| 470 | R | A | -2.5178 | |
| 471 | E | A | -3.3144 | |
| 472 | N | A | -3.6515 | |
| 473 | R | A | -3.8727 | |
| 474 | G | A | -2.9249 | |
| 475 | E | A | -2.9442 | |
| 476 | P | A | -2.0325 | |
| 477 | G | A | -1.7297 | |
| 478 | Q | A | -2.0849 | |
| 479 | P | A | -1.8737 | |
| 480 | N | A | -2.5432 | |
| 481 | N | A | -2.5807 | |
| 482 | Q | A | -2.3886 | |
| 483 | T | A | -1.5558 | |
| 484 | S | A | -1.9456 | |
| 485 | E | A | -3.0991 | |
| 486 | N | A | -3.2671 | |
| 487 | Q | A | -3.1306 | |
| 488 | Q | A | -2.8760 | |
| 489 | R | A | -2.4263 | |
| 490 | L | A | -0.1547 | |
| 491 | N | A | -0.6928 | |
| 492 | L | A | 0.6969 | |
| 493 | P | A | 0.5986 | |
| 494 | V | A | 1.4736 | |
| 495 | P | A | 0.4327 | |
| 496 | Q | A | -0.3809 | |
| 497 | C | A | 0.1579 | |
| 498 | T | A | -0.1405 | |
| 499 | S | A | -0.3625 | |
| 500 | G | A | -0.5523 | |
| 501 | M | A | -0.8679 | |
| 502 | S | A | -1.4389 | |
| 503 | S | A | -1.7333 | |
| 504 | E | A | -3.0880 | |
| 505 | E | A | -3.0106 | |
| 506 | F | A | -1.7436 | |
| 507 | Q | A | -2.4240 | |
| 508 | H | A | -2.7082 | |
| 509 | S | A | -1.6882 | |
| 510 | M | A | -1.1376 | |
| 511 | N | A | -1.8396 | |
| 512 | Q | A | -2.0218 | |
| 513 | Y | A | -0.5708 | |
| 514 | I | A | -0.9269 | |
| 515 | R | A | -2.4036 | |
| 516 | A | A | -1.4915 | |
| 517 | M | A | -1.1193 | |
| 518 | H | A | -2.2352 | |
| 519 | E | A | -3.0658 | |
| 520 | Q | A | -2.0796 | |
| 521 | Y | A | -1.0633 | |
| 522 | R | A | -3.1068 | |
| 523 | G | A | -2.9077 | |
| 524 | S | A | -2.4764 | |
| 525 | Q | A | -3.4462 | |
| 526 | D | A | -4.4070 | |
| 527 | D | A | -4.2775 | |
| 528 | D | A | -4.0024 | |
| 529 | A | A | -2.8877 | |
| 530 | N | A | -3.1801 | |
| 531 | D | A | -2.6422 | |
| 532 | A | A | -1.5064 | |
| 533 | T | A | -1.4127 | |
| 534 | D | A | -2.2954 | |
| 535 | G | A | -2.1453 | |
| 536 | N | A | -2.1290 | |
| 537 | D | A | -1.3721 | |
| 538 | I | A | 0.7801 | |
| 539 | S | A | 0.4139 | |
| 540 | L | A | 1.6439 | |
| 541 | E | A | 0.4437 | |
| 542 | L | A | 1.8090 | |
| 543 | V | A | 1.5352 | |
| 544 | G | A | -0.1846 | |
| 545 | D | A | -1.4106 | |
| 546 | F | A | 0.0658 | |
| 547 | D | A | -1.9243 | |
| 548 | S | A | -1.7174 | |
| 549 | H | A | -2.1948 | |
| 550 | H | A | -2.2517 | |
| 551 | H | A | -2.3931 | |
| 552 | H | A | -2.3705 | |
| 553 | H | A | -2.1582 | |
| 554 | H | A | -1.6448 | |
| 1 | S | B | -0.5767 | |
| 2 | S | B | 0.6881 | |
| 3 | V | B | 2.1219 | |
| 4 | L | B | 1.7938 | |
| 5 | K | B | -0.1284 | |
| 6 | T | B | 0.4823 | |
| 7 | F | B | 1.0916 | |
| 8 | E | B | -0.3704 | |
| 9 | R | B | -1.1940 | |
| 10 | F | B | 0.4903 | |
| 11 | T | B | 0.0000 | |
| 12 | I | B | -0.8400 | |
| 13 | Q | B | -2.1017 | |
| 14 | Q | B | -2.3064 | |
| 15 | E | B | -1.8673 | |
| 16 | L | B | -1.5979 | |
| 17 | Q | B | -3.1338 | |
| 18 | E | B | -3.8248 | |
| 19 | Q | B | -3.4301 | |
| 20 | S | B | -3.1013 | |
| 21 | E | B | -3.2220 | |
| 22 | D | B | -2.8456 | |
| 23 | T | B | -1.8757 | |
| 24 | P | B | 0.0875 | |
| 25 | I | B | 1.3748 | |
| 26 | P | B | 0.8958 | |
| 27 | L | B | 1.2317 | |
| 28 | E | B | -0.8129 | |
| 29 | T | B | -0.2680 | |
| 30 | I | B | 0.6211 | |
| 31 | R | B | -1.5201 | |
| 32 | P | B | -1.0190 | |
| 33 | T | B | -1.0613 | |
| 34 | I | B | 0.0000 | |
| 35 | R | B | -1.2330 | |
| 36 | V | B | 0.0000 | |
| 37 | F | B | 0.0000 | |
| 38 | V | B | 0.0000 | |
| 39 | I | B | 0.0000 | |
| 40 | N | B | -1.9970 | |
| 41 | N | B | -2.0199 | |
| 42 | N | B | -2.2362 | |
| 43 | D | B | -1.7166 | |
| 44 | P | B | -0.8113 | |
| 45 | V | B | 0.3589 | |
| 46 | V | B | -0.0738 | |
| 47 | R | B | 0.0000 | |
| 48 | S | B | 0.0000 | |
| 49 | R | B | -0.2956 | |
| 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 | -0.9351 | |
| 57 | I | B | 0.0000 | |
| 58 | I | B | 0.0000 | |
| 59 | M | B | 0.0000 | |
| 60 | S | B | 0.0000 | |
| 61 | N | B | -2.1082 | |
| 62 | T | B | -1.4857 | |
| 63 | A | B | 0.0000 | |
| 64 | R | B | -3.1694 | |
| 65 | E | B | -3.4025 | |
| 66 | G | B | -2.2493 | |
| 67 | H | B | -1.8066 | |
| 68 | R | B | -1.8587 | |
| 69 | A | B | 0.0000 | |
| 70 | G | B | 0.0000 | |
| 71 | A | B | 0.0000 | |
| 72 | L | B | 0.0000 | |
| 73 | L | B | 0.0000 | |
| 74 | S | B | 0.0000 | |
| 75 | L | B | 0.0000 | |
| 76 | L | B | 0.0000 | |
| 77 | S | B | 0.0000 | |
| 78 | L | B | 0.0000 | |
| 79 | P | B | 0.0000 | |
| 80 | S | B | 0.0000 | |
| 81 | A | B | -1.5249 | |
| 82 | A | B | -1.1913 | |
| 83 | M | B | 0.0000 | |
| 84 | S | B | -1.3773 | |
| 85 | N | B | -1.5546 | |
| 86 | H | B | 0.0000 | |
| 87 | I | B | 0.0000 | |
| 88 | K | B | -2.0326 | |
| 89 | L | B | -0.8609 | |
| 90 | A | B | 0.0000 | |
| 91 | M | B | -0.6752 | |
| 92 | H | B | -1.0957 | |
| 93 | S | B | 0.0000 | |
| 94 | P | B | -1.1476 | |
| 95 | E | B | -1.2201 | |
| 96 | A | B | 0.0000 | |
| 97 | S | B | -1.0357 | |
| 98 | I | B | 0.0000 | |
| 99 | D | B | -1.7722 | |
| 100 | R | B | -1.9128 | |
| 101 | V | B | 0.0000 | |
| 102 | E | B | -1.0524 | |
| 103 | I | B | 0.0000 | |
| 104 | T | B | -0.3109 | |
| 105 | G | B | 0.0000 | |
| 106 | F | B | -0.7388 | |
| 107 | E | B | -1.9314 | |
| 108 | N | B | -2.4253 | |
| 109 | N | B | -2.4760 | |
| 110 | S | B | -1.8234 | |
| 111 | F | B | 0.0000 | |
| 112 | R | B | -1.2315 | |
| 113 | V | B | 0.0000 | |
| 114 | I | B | 0.2857 | |
| 115 | P | B | -0.3730 | |
| 116 | D | B | -0.8184 | |
| 117 | A | B | -0.9110 | |
| 118 | R | B | -1.9435 | |
| 119 | T | B | -1.1618 | |
| 120 | S | B | -0.8627 | |
| 121 | T | B | -0.8799 | |
| 122 | M | B | -0.7079 | |
| 123 | S | B | -1.3343 | |
| 124 | R | B | -2.1918 | |
| 125 | G | B | -1.5419 | |
| 126 | E | B | -1.3248 | |
| 127 | V | B | 0.0000 | |
| 128 | L | B | -0.4545 | |
| 129 | A | B | -0.6424 | |
| 130 | F | B | 0.0000 | |
| 131 | E | B | -0.9061 | |
| 132 | A | B | -0.8227 | |
| 133 | L | B | 0.0000 | |
| 134 | A | B | 0.0000 | |
| 135 | E | B | -2.4296 | |
| 136 | D | B | -2.0908 | |
| 137 | I | B | 0.0000 | |
| 138 | P | B | 0.0000 | |
| 139 | D | B | -2.5636 | |
| 140 | E | B | -2.7086 | |
| 141 | L | B | -0.3309 | |
| 142 | T | B | -0.9823 | |
| 143 | L | B | 0.0000 | |
| 144 | N | B | -2.5127 | |
| 145 | H | B | -2.5193 | |
| 146 | Q | B | -2.5805 | |
| 147 | T | B | 0.0000 | |
| 148 | P | B | 0.0000 | |
| 149 | F | B | 0.0000 | |
| 150 | V | B | 0.2129 | |
| 151 | N | B | -0.6087 | |
| 152 | L | B | 0.5924 | |
| 153 | Q | B | -1.2111 | |
| 154 | N | B | -2.3007 | |
| 155 | D | B | -2.2296 | |
| 156 | V | B | 0.0000 | |
| 157 | E | B | -1.3239 | |
| 158 | D | B | -2.2264 | |
| 159 | D | B | -0.8871 | |
| 160 | I | B | 0.8946 | |
| 161 | F | B | 0.0000 | |
| 162 | D | B | -1.3795 | |
| 163 | E | B | -1.4323 | |
| 164 | T | B | -1.5550 | |
| 165 | E | B | -1.7796 | |
| 166 | K | B | -1.3010 | |
| 167 | F | B | 0.0000 | |
| 168 | L | B | -0.8628 | |
| 169 | D | B | -1.3788 | |
| 170 | V | B | 0.0000 | |
| 171 | C | B | 0.0000 | |
| 172 | Y | B | 0.0000 | |
| 173 | S | B | 0.0000 | |
| 174 | V | B | 0.0000 | |
| 175 | L | B | 0.0000 | |
| 176 | M | B | 0.0000 | |
| 177 | Q | B | 0.0000 | |
| 178 | A | B | 0.0000 | |
| 179 | W | B | 0.0000 | |
| 180 | I | B | 0.0000 | |
| 181 | V | B | 0.0000 | |
| 182 | T | B | 0.0000 | |
| 183 | C | B | 0.0000 | |
| 184 | K | B | -0.6270 | |
| 185 | C | B | 0.0000 | |
| 186 | M | B | -0.7122 | |
| 187 | T | B | -0.9108 | |
| 188 | A | B | -1.1352 | |
| 189 | P | B | -1.2373 | |
| 190 | D | B | -2.0040 | |
| 191 | Q | B | 0.0000 | |
| 192 | P | B | -0.0957 | |
| 193 | P | B | 0.2156 | |
| 194 | V | B | 1.4037 | |
| 195 | S | B | 0.0000 | |
| 196 | V | B | 0.3971 | |
| 197 | A | B | 0.2874 | |
| 198 | K | B | -0.6754 | |
| 199 | R | B | 0.0000 | |
| 200 | M | B | 0.0000 | |
| 201 | A | B | -0.4981 | |
| 202 | K | B | 0.0000 | |
| 203 | Y | B | 0.0000 | |
| 204 | Q | B | -0.9723 | |
| 205 | Q | B | -0.9815 | |
| 206 | Q | B | -1.2462 | |
| 207 | G | B | -1.4219 | |
| 208 | R | B | 0.0000 | |
| 209 | I | B | 0.0000 | |
| 210 | N | B | -0.7632 | |
| 211 | A | B | -0.0801 | |
| 212 | C | B | 0.4528 | |
| 213 | R | B | -0.5486 | |
| 214 | Y | B | 0.0000 | |
| 215 | V | B | 0.3668 | |
| 216 | L | B | 0.0000 | |
| 217 | Q | B | 0.0000 | |
| 218 | P | B | -0.7161 | |
| 219 | E | B | -1.2266 | |
| 220 | A | B | 0.0000 | |
| 221 | Q | B | -0.8286 | |
| 222 | R | B | -1.4186 | |
| 223 | L | B | -0.6382 | |
| 224 | I | B | 0.0000 | |
| 225 | Q | B | 0.0000 | |
| 226 | N | B | -1.5068 | |
| 227 | A | B | 0.0000 | |
| 228 | I | B | 0.0000 | |
| 229 | R | B | -1.7722 | |
| 230 | K | B | -2.5305 | |
| 231 | S | B | 0.0000 | |
| 232 | M | B | -0.7185 | |
| 233 | V | B | 0.0000 | |
| 234 | V | B | 0.0000 | |
| 235 | R | B | 0.0000 | |
| 236 | H | B | -0.2856 | |
| 237 | F | B | 0.0000 | |
| 238 | M | B | 0.0000 | |
| 239 | T | B | 0.0000 | |
| 240 | Y | B | 0.2434 | |
| 241 | E | B | 0.0000 | |
| 242 | L | B | 0.0000 | |
| 243 | Q | B | 0.1404 | |
| 244 | L | B | 0.0000 | |
| 245 | S | B | 0.0000 | |
| 246 | Q | B | 0.0000 | |
| 247 | S | B | -1.0184 | |
| 248 | R | B | -1.8941 | |
| 249 | S | B | -0.6835 | |
| 250 | L | B | 0.0000 | |
| 251 | L | B | -0.1911 | |
| 252 | A | B | -0.2679 | |
| 253 | N | B | 0.0000 | |
| 254 | R | B | -0.3398 | |
| 255 | Y | B | 0.0000 | |
| 256 | Y | B | 0.0000 | |
| 257 | A | B | 0.0000 | |
| 258 | M | B | 0.0000 | |
| 259 | V | B | 0.0000 | |
| 260 | G | B | 0.0000 | |
| 261 | D | B | -0.1649 | |
| 262 | I | B | 0.0000 | |
| 263 | G | B | 0.0000 | |
| 264 | K | B | -0.2385 | |
| 265 | Y | B | -0.2613 | |
| 266 | I | B | 0.0000 | |
| 267 | E | B | 0.0000 | |
| 268 | H | B | -0.4402 | |
| 269 | S | B | -0.4993 | |
| 270 | G | B | -0.5263 | |
| 271 | M | B | 0.0000 | |
| 272 | G | B | -0.4487 | |
| 273 | G | B | 0.0000 | |
| 274 | F | B | 0.0000 | |
| 275 | F | B | 0.1987 | |
| 276 | L | B | 0.2041 | |
| 277 | T | B | 0.0000 | |
| 278 | L | B | 0.0000 | |
| 279 | K | B | -0.4217 | |
| 280 | Y | B | 0.0000 | |
| 281 | G | B | 0.0000 | |
| 282 | L | B | 0.0000 | |
| 283 | G | B | 0.0000 | |
| 284 | T | B | 0.0000 | |
| 285 | R | B | -0.5552 | |
| 286 | W | B | 0.0000 | |
| 287 | P | B | -0.2587 | |
| 288 | T | B | 0.0406 | |
| 289 | L | B | 0.0000 | |
| 290 | A | B | 0.2451 | |
| 291 | L | B | 0.6232 | |
| 292 | A | B | 0.2798 | |
| 293 | A | B | 0.2071 | |
| 294 | F | B | 0.0000 | |
| 295 | S | B | -0.2731 | |
| 296 | G | B | -0.3623 | |
| 297 | E | B | -0.6951 | |
| 298 | L | B | -0.2691 | |
| 299 | Q | B | -0.4607 | |
| 300 | K | B | -0.6870 | |
| 301 | L | B | 0.0000 | |
| 302 | K | B | 0.0000 | |
| 303 | A | B | 0.0000 | |
| 304 | L | B | 0.0000 | |
| 305 | M | B | 0.0000 | |
| 306 | L | B | 0.1604 | |
| 307 | H | B | 0.0000 | |
| 308 | Y | B | 0.0000 | |
| 309 | Q | B | -0.2807 | |
| 310 | S | B | -0.5233 | |
| 311 | L | B | -0.3163 | |
| 312 | G | B | -0.2907 | |
| 313 | P | B | -0.4869 | |
| 314 | M | B | 0.1317 | |
| 315 | A | B | 0.0000 | |
| 316 | K | B | -0.2495 | |
| 317 | Y | B | 0.0000 | |
| 318 | M | B | 0.0000 | |
| 319 | A | B | 0.0000 | |
| 320 | L | B | 0.0000 | |
| 321 | L | B | -0.4424 | |
| 322 | E | B | -1.2234 | |
| 323 | S | B | -0.7660 | |
| 324 | P | B | -0.6165 | |
| 325 | K | B | -0.7989 | |
| 326 | L | B | 0.0000 | |
| 327 | M | B | 0.1569 | |
| 328 | D | B | -0.5987 | |
| 329 | F | B | 0.0000 | |
| 330 | V | B | -0.1514 | |
| 331 | P | B | 0.0000 | |
| 332 | S | B | -0.6593 | |
| 333 | E | B | -1.1714 | |
| 334 | Y | B | 0.0000 | |
| 335 | P | B | -0.2666 | |
| 336 | L | B | -0.1193 | |
| 337 | V | B | 0.0000 | |
| 338 | Y | B | 0.0000 | |
| 339 | S | B | 0.0000 | |
| 340 | Y | B | 0.0000 | |
| 341 | A | B | 0.0000 | |
| 342 | M | B | 0.0000 | |
| 343 | G | B | 0.0000 | |
| 344 | I | B | 0.0000 | |
| 345 | G | B | 0.0000 | |
| 346 | T | B | -0.5212 | |
| 347 | V | B | -0.5512 | |
| 348 | L | B | 0.0000 | |
| 349 | D | B | -0.6385 | |
| 350 | T | B | -1.1385 | |
| 351 | N | B | -1.8453 | |
| 352 | M | B | 0.0000 | |
| 353 | R | B | -2.4756 | |
| 354 | N | B | -2.4085 | |
| 355 | Y | B | 0.0000 | |
| 356 | A | B | -0.6714 | |
| 357 | Y | B | 0.5304 | |
| 358 | G | B | -0.0709 | |
| 359 | R | B | -0.6653 | |
| 360 | S | B | -0.3798 | |
| 361 | Y | B | -0.2889 | |
| 362 | L | B | -0.0245 | |
| 363 | N | B | -0.7487 | |
| 364 | P | B | -1.0507 | |
| 365 | Q | B | -1.5122 | |
| 366 | Y | B | -0.7397 | |
| 367 | F | B | -0.5543 | |
| 368 | Q | B | -1.5464 | |
| 369 | L | B | -0.9827 | |
| 370 | G | B | 0.0000 | |
| 371 | V | B | -1.2730 | |
| 372 | E | B | -2.1596 | |
| 373 | T | B | 0.0000 | |
| 374 | A | B | 0.0000 | |
| 375 | R | B | -3.0317 | |
| 376 | K | B | -3.0204 | |
| 377 | Q | B | -1.8185 | |
| 378 | Q | B | -1.5943 | |
| 379 | G | B | -1.1981 | |
| 380 | A | B | -0.9066 | |
| 381 | V | B | -0.7523 | |
| 382 | D | B | -2.0300 | |
| 383 | N | B | -3.1479 | |
| 384 | R | B | -3.6919 | |
| 385 | T | B | -2.8833 | |
| 386 | A | B | 0.0000 | |
| 387 | E | B | -3.8839 | |
| 388 | D | B | -3.6792 | |
| 389 | L | B | -2.3652 | |
| 390 | G | B | -2.5665 | |
| 391 | M | B | -1.4829 | |
| 392 | T | B | -0.8011 | |
| 393 | A | B | -0.5515 | |
| 394 | A | B | -0.8097 | |
| 395 | D | B | -1.3639 | |
| 396 | K | B | -1.4438 | |
| 397 | A | B | -1.2183 | |
| 398 | D | B | -2.1223 | |
| 399 | L | B | 0.0000 | |
| 400 | T | B | -1.0759 | |
| 401 | A | B | -1.2176 | |
| 402 | T | B | 0.0000 | |
| 403 | I | B | 0.0000 | |
| 404 | S | B | -0.9740 | |
| 405 | K | B | -1.3080 | |
| 406 | L | B | -0.5637 | |
| 407 | S | B | -0.4683 | |
| 408 | L | B | 0.9634 |
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 | -0.5236 | 5.2431 | View | CSV | PDB |
| 4.5 | -0.5915 | 5.093 | View | CSV | PDB |
| 5.0 | -0.674 | 4.9331 | View | CSV | PDB |
| 5.5 | -0.759 | 4.7697 | View | CSV | PDB |
| 6.0 | -0.8351 | 4.6055 | View | CSV | PDB |
| 6.5 | -0.8946 | 4.4414 | View | CSV | PDB |
| 7.0 | -0.9369 | 4.2788 | View | CSV | PDB |
| 7.5 | -0.967 | 4.1213 | View | CSV | PDB |
| 8.0 | -0.9892 | 4.0883 | View | CSV | PDB |
| 8.5 | -1.003 | 4.086 | View | CSV | PDB |
| 9.0 | -1.0057 | 4.0853 | 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