| Chain sequence(s) | MLARAERPRPGPRPPPVFPFPPPLSLLLLLAILSAPVCGRVPRSVPRTSLPISEADSYLTRFAASHTYNYSALLVDPASHTLYVGARDSIFALTLPFSGERPRRIDWMVPETHRQNCRKKGKKEDECHNFIQILAIVNASHLLTCGTFAFDPKCGVIDVSSFQQVERLESGRGKCPFEPAQRSAAVMAGGVLYTATVKNFLGTEPIISRAVGRAEDWIRTETLSSWLNAPAFVAAMVLSPAEWGDEDGDDEIFFFFTETSRVLDSYERIKVPRVARVCAGDLGGRKTLQQRWTTFLKADLLCPGPEHGRASGVLQAMAELRPQPGAGTPIFYGIFSSQWEGAAISAVCAFRPQDIRAVLNGPFRELKHDCNRGLPVMDNEVPQPRPGECIANNMKLQQFGSSLSLPDRVLTFIRDHPLMDRPVFPADGRPLLVTTDTAYLRVVAHRVTSLSGKEYDVLYLGTEDGHLHRAVRIGAQLSVLEDLALFPEPQPVESMKLYHDWLLVGSHTEVTQVNTSNCGRLQSCSECILAQDPVCAWSFRLDACVAHAGEHRGMVQDIESADVSSLCPKEPGEHPVVFEVPVATVGHVVLPCSPSSAWASCVWHQPSGVTALTPRRDGLEVVVTPGAMGAYACECQEGGAARVVAAYSLVWGSQRGPSNRAHTVVGAGLVGFLLGVLAASLTLLLIGRRQQRRRQRELLARDKVGLDLGAPPSGTTSYSQDPPSPSPEDERLPLALGKRGSGFGGFPPPFLLDSCPSPAHIRLTGAPLATCDETSI input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| 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 A 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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:09:22)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/82d4ec7d4feede/tmp/folded.pdb (00:09:22)
[INFO] Main: Simulation completed successfully. (00:21:01)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 1.8080 | |
| 2 | L | A | 1.6173 | |
| 3 | A | A | 0.0830 | |
| 4 | R | A | -1.9986 | |
| 5 | A | A | -1.9416 | |
| 6 | E | A | -3.2742 | |
| 7 | R | A | -3.4784 | |
| 8 | P | A | -2.4936 | |
| 9 | R | A | -2.5928 | |
| 10 | P | A | -1.6343 | |
| 11 | G | A | -1.6241 | |
| 12 | P | A | -1.6991 | |
| 13 | R | A | -2.2882 | |
| 14 | P | A | -1.1826 | |
| 15 | P | A | -0.2360 | |
| 16 | P | A | 0.7196 | |
| 17 | V | A | 2.6937 | |
| 18 | F | A | 3.0343 | |
| 19 | P | A | 1.9822 | |
| 20 | F | A | 2.3512 | |
| 21 | P | A | 1.1918 | |
| 22 | P | A | 0.8245 | |
| 23 | P | A | 1.7921 | |
| 24 | L | A | 2.8572 | |
| 25 | S | A | 2.4934 | |
| 26 | L | A | 3.7608 | |
| 27 | L | A | 4.2906 | |
| 28 | L | A | 4.5428 | |
| 29 | L | A | 4.5104 | |
| 30 | L | A | 4.2592 | |
| 31 | A | A | 3.5501 | |
| 32 | I | A | 4.3964 | |
| 33 | L | A | 3.7148 | |
| 34 | S | A | 2.1145 | |
| 35 | A | A | 1.6892 | |
| 36 | P | A | 1.2652 | |
| 37 | V | A | 2.0453 | |
| 38 | C | A | 0.7942 | |
| 39 | G | A | -0.3943 | |
| 40 | R | A | -1.6688 | |
| 41 | V | A | -0.8546 | |
| 42 | P | A | -0.9002 | |
| 43 | R | A | -1.0922 | |
| 44 | S | A | -0.1909 | |
| 45 | V | A | 0.0896 | |
| 46 | P | A | -0.0974 | |
| 47 | R | A | 0.0000 | |
| 48 | T | A | -0.1737 | |
| 49 | S | A | -0.3214 | |
| 50 | L | A | -0.4523 | |
| 51 | P | A | -0.5763 | |
| 52 | I | A | -0.7260 | |
| 53 | S | A | -0.9282 | |
| 54 | E | A | -1.3820 | |
| 55 | A | A | 0.0000 | |
| 56 | D | A | -1.6321 | |
| 57 | S | A | -1.1240 | |
| 58 | Y | A | 0.0000 | |
| 59 | L | A | 0.0000 | |
| 60 | T | A | -0.6358 | |
| 61 | R | A | -0.7629 | |
| 62 | F | A | -0.1976 | |
| 63 | A | A | -0.1716 | |
| 64 | A | A | -0.1752 | |
| 65 | S | A | -0.5578 | |
| 66 | H | A | -0.9290 | |
| 67 | T | A | -0.3371 | |
| 68 | Y | A | 0.2169 | |
| 69 | N | A | -0.2275 | |
| 70 | Y | A | 0.0000 | |
| 71 | S | A | -0.2978 | |
| 72 | A | A | 0.0000 | |
| 73 | L | A | 0.1207 | |
| 74 | L | A | 0.2946 | |
| 75 | V | A | 0.0000 | |
| 76 | D | A | -0.4698 | |
| 77 | P | A | -0.8398 | |
| 78 | A | A | -0.5151 | |
| 79 | S | A | -0.7892 | |
| 80 | H | A | -1.2746 | |
| 81 | T | A | -0.6658 | |
| 82 | L | A | 0.0000 | |
| 83 | Y | A | 0.0000 | |
| 84 | V | A | 0.0000 | |
| 85 | G | A | 0.0000 | |
| 86 | A | A | 0.0000 | |
| 87 | R | A | -0.4356 | |
| 88 | D | A | 0.0000 | |
| 89 | S | A | 0.0000 | |
| 90 | I | A | 0.0000 | |
| 91 | F | A | 0.0000 | |
| 92 | A | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | T | A | -1.0852 | |
| 95 | L | A | 0.0000 | |
| 96 | P | A | -0.5121 | |
| 97 | F | A | -0.7097 | |
| 98 | S | A | -1.2423 | |
| 99 | G | A | -1.9168 | |
| 100 | E | A | -3.0768 | |
| 101 | R | A | -3.2742 | |
| 102 | P | A | -2.3072 | |
| 103 | R | A | -2.4585 | |
| 104 | R | A | -3.0236 | |
| 105 | I | A | 0.0000 | |
| 106 | D | A | -1.6100 | |
| 107 | W | A | 0.0000 | |
| 108 | M | A | 0.3790 | |
| 109 | V | A | 0.0000 | |
| 110 | P | A | -1.0432 | |
| 111 | E | A | -2.2433 | |
| 112 | T | A | -1.6226 | |
| 113 | H | A | -1.9415 | |
| 114 | R | A | -3.0185 | |
| 115 | Q | A | -2.8233 | |
| 116 | N | A | -2.7958 | |
| 117 | C | A | 0.0000 | |
| 118 | R | A | -3.9317 | |
| 119 | K | A | -3.6666 | |
| 120 | K | A | -3.5235 | |
| 121 | G | A | -2.9175 | |
| 122 | K | A | -3.5575 | |
| 123 | K | A | -4.1782 | |
| 124 | E | A | -4.0730 | |
| 125 | D | A | -3.5853 | |
| 126 | E | A | -2.7855 | |
| 127 | C | A | 0.0000 | |
| 128 | H | A | -1.4200 | |
| 129 | N | A | 0.0000 | |
| 130 | F | A | -0.0337 | |
| 131 | I | A | 0.0000 | |
| 132 | Q | A | -0.3519 | |
| 133 | I | A | 0.0000 | |
| 134 | L | A | 0.5343 | |
| 135 | A | A | 0.0000 | |
| 136 | I | A | 0.8440 | |
| 137 | V | A | 0.4992 | |
| 138 | N | A | -0.5461 | |
| 139 | A | A | -0.3181 | |
| 140 | S | A | -0.3427 | |
| 141 | H | A | -0.1708 | |
| 142 | L | A | 0.0000 | |
| 143 | L | A | 0.4295 | |
| 144 | T | A | 0.0000 | |
| 145 | C | A | 0.0000 | |
| 146 | G | A | 0.0000 | |
| 147 | T | A | 0.0000 | |
| 148 | F | A | 0.0000 | |
| 149 | A | A | 0.0000 | |
| 150 | F | A | 0.0000 | |
| 151 | D | A | -1.7089 | |
| 152 | P | A | 0.0000 | |
| 153 | K | A | -1.3177 | |
| 154 | C | A | 0.0000 | |
| 155 | G | A | 0.0000 | |
| 156 | V | A | -0.6072 | |
| 157 | I | A | 0.0000 | |
| 158 | D | A | -0.9756 | |
| 159 | V | A | -0.4750 | |
| 160 | S | A | -0.4941 | |
| 161 | S | A | -0.9448 | |
| 162 | F | A | 0.0000 | |
| 163 | Q | A | -2.5820 | |
| 164 | Q | A | -2.6011 | |
| 165 | V | A | -1.3833 | |
| 166 | E | A | -2.0690 | |
| 167 | R | A | -2.2798 | |
| 168 | L | A | -1.1299 | |
| 169 | E | A | -2.5329 | |
| 170 | S | A | -1.8829 | |
| 171 | G | A | 0.0000 | |
| 172 | R | A | -2.0898 | |
| 173 | G | A | 0.0000 | |
| 174 | K | A | -0.7081 | |
| 175 | C | A | 0.0000 | |
| 176 | P | A | 0.0000 | |
| 177 | F | A | 0.0000 | |
| 178 | E | A | -1.1201 | |
| 179 | P | A | -0.8231 | |
| 180 | A | A | -0.5914 | |
| 181 | Q | A | -0.9591 | |
| 182 | R | A | -0.9448 | |
| 183 | S | A | -0.4588 | |
| 184 | A | A | 0.0000 | |
| 185 | A | A | 0.1169 | |
| 186 | V | A | 0.4008 | |
| 187 | M | A | 0.4841 | |
| 188 | A | A | 0.0000 | |
| 189 | G | A | -0.4778 | |
| 190 | G | A | -0.1919 | |
| 191 | V | A | 0.3534 | |
| 192 | L | A | 0.0000 | |
| 193 | Y | A | 0.0000 | |
| 194 | T | A | 0.0000 | |
| 195 | A | A | 0.0000 | |
| 196 | T | A | 0.0000 | |
| 197 | V | A | 0.0000 | |
| 198 | K | A | -0.8603 | |
| 199 | N | A | -0.3493 | |
| 200 | F | A | 0.2917 | |
| 201 | L | A | 1.1575 | |
| 202 | G | A | 0.0888 | |
| 203 | T | A | -0.0636 | |
| 204 | E | A | -0.5733 | |
| 205 | P | A | -0.5319 | |
| 206 | I | A | 0.0000 | |
| 207 | I | A | 0.0000 | |
| 208 | S | A | 0.0000 | |
| 209 | R | A | -0.1248 | |
| 210 | A | A | 0.0000 | |
| 211 | V | A | 0.0437 | |
| 212 | G | A | -1.4940 | |
| 213 | R | A | -2.9370 | |
| 214 | A | A | -2.2556 | |
| 215 | E | A | -2.9417 | |
| 216 | D | A | -2.6823 | |
| 217 | W | A | 0.0000 | |
| 218 | I | A | 0.0000 | |
| 219 | R | A | -0.8962 | |
| 220 | T | A | 0.0000 | |
| 221 | E | A | -0.4701 | |
| 222 | T | A | -0.1138 | |
| 223 | L | A | 0.2516 | |
| 224 | S | A | -0.3319 | |
| 225 | S | A | -0.6765 | |
| 226 | W | A | 0.0000 | |
| 227 | L | A | 0.0000 | |
| 228 | N | A | -0.5838 | |
| 229 | A | A | -0.2974 | |
| 230 | P | A | -0.3014 | |
| 231 | A | A | -0.2733 | |
| 232 | F | A | 0.0000 | |
| 233 | V | A | 0.0550 | |
| 234 | A | A | 0.0220 | |
| 235 | A | A | 0.1864 | |
| 236 | M | A | 0.0000 | |
| 237 | V | A | 0.2040 | |
| 238 | L | A | 0.0000 | |
| 239 | S | A | -0.6901 | |
| 240 | P | A | -1.5491 | |
| 241 | A | A | -1.4113 | |
| 242 | E | A | -1.1834 | |
| 243 | W | A | -1.2382 | |
| 244 | G | A | -1.6945 | |
| 245 | D | A | -2.5813 | |
| 246 | E | A | -3.1231 | |
| 247 | D | A | -2.9083 | |
| 248 | G | A | -1.9690 | |
| 249 | D | A | -1.0354 | |
| 250 | D | A | -0.7996 | |
| 251 | E | A | 0.0000 | |
| 252 | I | A | 0.0000 | |
| 253 | F | A | 0.0000 | |
| 254 | F | A | 0.0000 | |
| 255 | F | A | 0.0000 | |
| 256 | F | A | 0.0000 | |
| 257 | T | A | 0.0000 | |
| 258 | E | A | 0.0000 | |
| 259 | T | A | 0.0000 | |
| 260 | S | A | 0.0000 | |
| 261 | R | A | -2.1853 | |
| 262 | V | A | -0.7570 | |
| 263 | L | A | -0.3068 | |
| 264 | D | A | -1.7154 | |
| 265 | S | A | -0.8622 | |
| 266 | Y | A | 0.0332 | |
| 267 | E | A | -1.6520 | |
| 268 | R | A | -2.5072 | |
| 269 | I | A | -1.2646 | |
| 270 | K | A | -1.4436 | |
| 271 | V | A | -0.5066 | |
| 272 | P | A | 0.0000 | |
| 273 | R | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | A | A | 0.0000 | |
| 276 | R | A | 0.0000 | |
| 277 | V | A | 0.0000 | |
| 278 | C | A | 0.0000 | |
| 279 | A | A | -0.3769 | |
| 280 | G | A | -0.4197 | |
| 281 | D | A | 0.0000 | |
| 282 | L | A | -0.0433 | |
| 283 | G | A | 0.0000 | |
| 284 | G | A | 0.0000 | |
| 285 | R | A | -2.9473 | |
| 286 | K | A | -3.0248 | |
| 287 | T | A | -2.2713 | |
| 288 | L | A | 0.0000 | |
| 289 | Q | A | -2.5441 | |
| 290 | Q | A | -2.1018 | |
| 291 | R | A | -1.5360 | |
| 292 | W | A | 0.0000 | |
| 293 | T | A | 0.0000 | |
| 294 | T | A | 0.0000 | |
| 295 | F | A | 0.0000 | |
| 296 | L | A | 0.0000 | |
| 297 | K | A | 0.0000 | |
| 298 | A | A | 0.0000 | |
| 299 | D | A | -0.0467 | |
| 300 | L | A | 0.0000 | |
| 301 | L | A | 0.8598 | |
| 302 | C | A | 0.0000 | |
| 303 | P | A | -0.6497 | |
| 304 | G | A | -1.3471 | |
| 305 | P | A | -1.7009 | |
| 306 | E | A | -2.6840 | |
| 307 | H | A | -2.4700 | |
| 308 | G | A | -2.1574 | |
| 309 | R | A | -2.0087 | |
| 310 | A | A | -1.0128 | |
| 311 | S | A | 0.0000 | |
| 312 | G | A | -0.2853 | |
| 313 | V | A | -0.0072 | |
| 314 | L | A | 0.0000 | |
| 315 | Q | A | -0.0834 | |
| 316 | A | A | 0.0000 | |
| 317 | M | A | 0.0000 | |
| 318 | A | A | -0.2984 | |
| 319 | E | A | -0.6669 | |
| 320 | L | A | 0.0000 | |
| 321 | R | A | -2.0671 | |
| 322 | P | A | 0.0000 | |
| 323 | Q | A | -1.8798 | |
| 324 | P | A | -1.3920 | |
| 325 | G | A | -1.2459 | |
| 326 | A | A | -1.0821 | |
| 327 | G | A | -1.0105 | |
| 328 | T | A | -1.1241 | |
| 329 | P | A | 0.0000 | |
| 330 | I | A | -0.6229 | |
| 331 | F | A | 0.0000 | |
| 332 | Y | A | 0.0000 | |
| 333 | G | A | 0.0000 | |
| 334 | I | A | 0.0000 | |
| 335 | F | A | 0.0000 | |
| 336 | S | A | -0.0466 | |
| 337 | S | A | -0.7350 | |
| 338 | Q | A | -1.0549 | |
| 339 | W | A | -1.0013 | |
| 340 | E | A | -1.9384 | |
| 341 | G | A | -1.2637 | |
| 342 | A | A | -1.0043 | |
| 343 | A | A | -1.0847 | |
| 344 | I | A | -0.5894 | |
| 345 | S | A | 0.0000 | |
| 346 | A | A | 0.0000 | |
| 347 | V | A | 0.0000 | |
| 348 | C | A | 0.0000 | |
| 349 | A | A | 0.0000 | |
| 350 | F | A | 0.0000 | |
| 351 | R | A | -1.4977 | |
| 352 | P | A | 0.0000 | |
| 353 | Q | A | -1.3968 | |
| 354 | D | A | -1.0099 | |
| 355 | I | A | 0.0000 | |
| 356 | R | A | -1.1362 | |
| 357 | A | A | -0.8546 | |
| 358 | V | A | -0.6337 | |
| 359 | L | A | 0.0000 | |
| 360 | N | A | -1.1339 | |
| 361 | G | A | -0.9988 | |
| 362 | P | A | -0.6967 | |
| 363 | F | A | 0.0000 | |
| 364 | R | A | -0.6471 | |
| 365 | E | A | 0.0000 | |
| 366 | L | A | -1.9914 | |
| 367 | K | A | -2.9660 | |
| 368 | H | A | -2.8671 | |
| 369 | D | A | -2.9034 | |
| 370 | C | A | -1.5196 | |
| 371 | N | A | -1.8619 | |
| 372 | R | A | -2.6023 | |
| 373 | G | A | -0.8597 | |
| 374 | L | A | 0.2313 | |
| 375 | P | A | -0.2998 | |
| 376 | V | A | 0.0000 | |
| 377 | M | A | -0.7048 | |
| 378 | D | A | -2.3701 | |
| 379 | N | A | -2.4532 | |
| 380 | E | A | -2.3224 | |
| 381 | V | A | -1.7852 | |
| 382 | P | A | -1.8396 | |
| 383 | Q | A | -1.6934 | |
| 384 | P | A | 0.0000 | |
| 385 | R | A | -0.8866 | |
| 386 | P | A | 0.0000 | |
| 387 | G | A | 0.0000 | |
| 388 | E | A | -0.3437 | |
| 389 | C | A | -0.3165 | |
| 390 | I | A | -0.8280 | |
| 391 | A | A | -1.7220 | |
| 392 | N | A | -2.6341 | |
| 393 | N | A | -2.2916 | |
| 394 | M | A | 0.0000 | |
| 395 | K | A | -2.2629 | |
| 396 | L | A | -0.8329 | |
| 397 | Q | A | -1.9151 | |
| 398 | Q | A | -1.9800 | |
| 399 | F | A | -1.1954 | |
| 400 | G | A | -1.1502 | |
| 401 | S | A | -0.1953 | |
| 402 | S | A | 0.0000 | |
| 403 | L | A | -0.5322 | |
| 404 | S | A | -0.6965 | |
| 405 | L | A | 0.0000 | |
| 406 | P | A | -1.4950 | |
| 407 | D | A | -2.1467 | |
| 408 | R | A | -2.3860 | |
| 409 | V | A | 0.0000 | |
| 410 | L | A | 0.0000 | |
| 411 | T | A | -1.1305 | |
| 412 | F | A | 0.0000 | |
| 413 | I | A | 0.0000 | |
| 414 | R | A | -0.9291 | |
| 415 | D | A | -0.7941 | |
| 416 | H | A | -0.6312 | |
| 417 | P | A | 0.0000 | |
| 418 | L | A | 0.0000 | |
| 419 | M | A | 0.0000 | |
| 420 | D | A | 0.0000 | |
| 421 | R | A | -1.3715 | |
| 422 | P | A | -0.2173 | |
| 423 | V | A | 0.0000 | |
| 424 | F | A | 1.1645 | |
| 425 | P | A | 0.0000 | |
| 426 | A | A | -0.7346 | |
| 427 | D | A | -1.3569 | |
| 428 | G | A | -0.9001 | |
| 429 | R | A | -1.5201 | |
| 430 | P | A | -0.6824 | |
| 431 | L | A | 0.0000 | |
| 432 | L | A | 0.0000 | |
| 433 | V | A | 0.0678 | |
| 434 | T | A | 0.0000 | |
| 435 | T | A | -0.7223 | |
| 436 | D | A | -1.6270 | |
| 437 | T | A | -1.2468 | |
| 438 | A | A | -1.1963 | |
| 439 | Y | A | 0.0000 | |
| 440 | L | A | -0.8625 | |
| 441 | R | A | -0.7089 | |
| 442 | V | A | 0.0000 | |
| 443 | V | A | -0.0947 | |
| 444 | A | A | 0.0000 | |
| 445 | H | A | -0.7324 | |
| 446 | R | A | -1.1882 | |
| 447 | V | A | -0.6442 | |
| 448 | T | A | -1.1179 | |
| 449 | S | A | 0.0000 | |
| 450 | L | A | -1.2613 | |
| 451 | S | A | -1.2325 | |
| 452 | G | A | -1.6477 | |
| 453 | K | A | -2.3575 | |
| 454 | E | A | -1.9885 | |
| 455 | Y | A | 0.0000 | |
| 456 | D | A | 0.0000 | |
| 457 | V | A | 0.0000 | |
| 458 | L | A | 0.0000 | |
| 459 | Y | A | 0.0000 | |
| 460 | L | A | 0.0000 | |
| 461 | G | A | 0.0000 | |
| 462 | T | A | 0.0000 | |
| 463 | E | A | -2.9263 | |
| 464 | D | A | -3.1611 | |
| 465 | G | A | 0.0000 | |
| 466 | H | A | -1.2382 | |
| 467 | L | A | 0.0000 | |
| 468 | H | A | 0.0000 | |
| 469 | R | A | -0.3223 | |
| 470 | A | A | 0.0000 | |
| 471 | V | A | 0.0000 | |
| 472 | R | A | -0.9895 | |
| 473 | I | A | 0.0000 | |
| 474 | G | A | -1.0316 | |
| 475 | A | A | -0.8425 | |
| 476 | Q | A | -1.1395 | |
| 477 | L | A | 0.0000 | |
| 478 | S | A | 0.0000 | |
| 479 | V | A | 0.0000 | |
| 480 | L | A | 0.0000 | |
| 481 | E | A | -0.3063 | |
| 482 | D | A | 0.0000 | |
| 483 | L | A | 0.0000 | |
| 484 | A | A | -0.8888 | |
| 485 | L | A | 0.0000 | |
| 486 | F | A | 0.0000 | |
| 487 | P | A | -1.2960 | |
| 488 | E | A | -2.3104 | |
| 489 | P | A | -2.2788 | |
| 490 | Q | A | -2.0991 | |
| 491 | P | A | -1.9496 | |
| 492 | V | A | 0.0000 | |
| 493 | E | A | -0.9678 | |
| 494 | S | A | -0.4372 | |
| 495 | M | A | -0.2374 | |
| 496 | K | A | -0.3532 | |
| 497 | L | A | -0.3328 | |
| 498 | Y | A | 0.0000 | |
| 499 | H | A | -1.2101 | |
| 500 | D | A | -0.9689 | |
| 501 | W | A | -0.4736 | |
| 502 | L | A | 0.0000 | |
| 503 | L | A | 0.0000 | |
| 504 | V | A | 0.0000 | |
| 505 | G | A | 0.0000 | |
| 506 | S | A | 0.0000 | |
| 507 | H | A | -0.5358 | |
| 508 | T | A | -0.4283 | |
| 509 | E | A | -0.2687 | |
| 510 | V | A | 0.0000 | |
| 511 | T | A | 0.0000 | |
| 512 | Q | A | 0.0000 | |
| 513 | V | A | 0.0000 | |
| 514 | N | A | -0.5614 | |
| 515 | T | A | 0.0000 | |
| 516 | S | A | -0.5233 | |
| 517 | N | A | -0.8031 | |
| 518 | C | A | 0.0000 | |
| 519 | G | A | -0.9111 | |
| 520 | R | A | -1.1088 | |
| 521 | L | A | -0.9412 | |
| 522 | Q | A | -1.6961 | |
| 523 | S | A | -1.4326 | |
| 524 | C | A | 0.0000 | |
| 525 | S | A | -1.1222 | |
| 526 | E | A | -1.0122 | |
| 527 | C | A | 0.0000 | |
| 528 | I | A | 0.0000 | |
| 529 | L | A | 0.0000 | |
| 530 | A | A | -0.2500 | |
| 531 | Q | A | 0.0000 | |
| 532 | D | A | 0.0000 | |
| 533 | P | A | 0.0000 | |
| 534 | V | A | 0.1492 | |
| 535 | C | A | 0.0000 | |
| 536 | A | A | 0.0000 | |
| 537 | W | A | 0.0000 | |
| 538 | S | A | 0.0000 | |
| 539 | F | A | 0.0422 | |
| 540 | R | A | -1.4648 | |
| 541 | L | A | -0.3050 | |
| 542 | D | A | -1.4285 | |
| 543 | A | A | -0.8278 | |
| 544 | C | A | 0.0000 | |
| 545 | V | A | -0.0673 | |
| 546 | A | A | -0.1775 | |
| 547 | H | A | 0.0000 | |
| 548 | A | A | -0.6445 | |
| 549 | G | A | -1.6481 | |
| 550 | E | A | -2.7057 | |
| 551 | H | A | -2.8131 | |
| 552 | R | A | -2.9808 | |
| 553 | G | A | -1.6000 | |
| 554 | M | A | -1.0098 | |
| 555 | V | A | -0.0141 | |
| 556 | Q | A | -0.4114 | |
| 557 | D | A | -0.8983 | |
| 558 | I | A | 0.0000 | |
| 559 | E | A | -2.2062 | |
| 560 | S | A | -1.3979 | |
| 561 | A | A | 0.0000 | |
| 562 | D | A | -1.1000 | |
| 563 | V | A | 0.0000 | |
| 564 | S | A | -0.7958 | |
| 565 | S | A | -0.5031 | |
| 566 | L | A | -0.0430 | |
| 567 | C | A | 0.0000 | |
| 568 | P | A | -1.5856 | |
| 569 | K | A | -2.8481 | |
| 570 | E | A | -3.4622 | |
| 571 | P | A | -2.4889 | |
| 572 | G | A | -2.7626 | |
| 573 | E | A | -2.8093 | |
| 574 | H | A | -1.5089 | |
| 575 | P | A | 0.3793 | |
| 576 | V | A | 2.2006 | |
| 577 | V | A | 2.3255 | |
| 578 | F | A | 2.1126 | |
| 579 | E | A | -0.2112 | |
| 580 | V | A | 0.0522 | |
| 581 | P | A | -0.1405 | |
| 582 | V | A | 0.0000 | |
| 583 | A | A | 0.3307 | |
| 584 | T | A | 0.7319 | |
| 585 | V | A | 1.5515 | |
| 586 | G | A | 0.3599 | |
| 587 | H | A | -0.3133 | |
| 588 | V | A | 0.0434 | |
| 589 | V | A | 0.1428 | |
| 590 | L | A | 0.0000 | |
| 591 | P | A | -0.6917 | |
| 592 | C | A | 0.0000 | |
| 593 | S | A | -0.6864 | |
| 594 | P | A | -0.5029 | |
| 595 | S | A | -0.2294 | |
| 596 | S | A | 0.0000 | |
| 597 | A | A | -0.0494 | |
| 598 | W | A | 0.0000 | |
| 599 | A | A | -0.5646 | |
| 600 | S | A | -0.2510 | |
| 601 | C | A | 0.4324 | |
| 602 | V | A | 1.2649 | |
| 603 | W | A | 0.3104 | |
| 604 | H | A | -0.8203 | |
| 605 | Q | A | -0.8143 | |
| 606 | P | A | -0.6841 | |
| 607 | S | A | -0.6389 | |
| 608 | G | A | -0.5943 | |
| 609 | V | A | -0.1006 | |
| 610 | T | A | 0.0543 | |
| 611 | A | A | 0.1806 | |
| 612 | L | A | 0.2490 | |
| 613 | T | A | -0.1938 | |
| 614 | P | A | -0.9884 | |
| 615 | R | A | -2.2368 | |
| 616 | R | A | -2.8094 | |
| 617 | D | A | -2.1145 | |
| 618 | G | A | 0.0000 | |
| 619 | L | A | 0.0000 | |
| 620 | E | A | -0.4142 | |
| 621 | V | A | 0.0000 | |
| 622 | V | A | 0.5112 | |
| 623 | V | A | 0.0000 | |
| 624 | T | A | 0.1060 | |
| 625 | P | A | -0.2011 | |
| 626 | G | A | -0.3941 | |
| 627 | A | A | 0.0000 | |
| 628 | M | A | 0.0555 | |
| 629 | G | A | -0.2924 | |
| 630 | A | A | -0.0621 | |
| 631 | Y | A | 0.0000 | |
| 632 | A | A | -0.0780 | |
| 633 | C | A | 0.0000 | |
| 634 | E | A | -0.5676 | |
| 635 | C | A | 0.0000 | |
| 636 | Q | A | -1.4113 | |
| 637 | E | A | -1.2591 | |
| 638 | G | A | -1.0356 | |
| 639 | G | A | -1.0784 | |
| 640 | A | A | -1.5310 | |
| 641 | A | A | -1.1401 | |
| 642 | R | A | -2.0977 | |
| 643 | V | A | -0.5208 | |
| 644 | V | A | 0.1927 | |
| 645 | A | A | 0.8466 | |
| 646 | A | A | 0.0000 | |
| 647 | Y | A | 1.0292 | |
| 648 | S | A | 0.2015 | |
| 649 | L | A | 0.0000 | |
| 650 | V | A | 0.1604 | |
| 651 | W | A | 0.1765 | |
| 652 | G | A | -0.5675 | |
| 653 | S | A | -1.3244 | |
| 654 | Q | A | -2.3762 | |
| 655 | R | A | -2.8296 | |
| 656 | G | A | -2.0875 | |
| 657 | P | A | -2.0185 | |
| 658 | S | A | -2.0797 | |
| 659 | N | A | -2.3761 | |
| 660 | R | A | -2.1568 | |
| 661 | A | A | -0.7521 | |
| 662 | H | A | -0.9119 | |
| 663 | T | A | 0.0616 | |
| 664 | V | A | 1.8950 | |
| 665 | V | A | 2.3987 | |
| 666 | G | A | 1.7032 | |
| 667 | A | A | 2.1070 | |
| 668 | G | A | 2.5009 | |
| 669 | L | A | 3.6989 | |
| 670 | V | A | 3.8430 | |
| 671 | G | A | 3.0814 | |
| 672 | F | A | 3.9705 | |
| 673 | L | A | 4.0215 | |
| 674 | L | A | 3.8256 | |
| 675 | G | A | 2.8888 | |
| 676 | V | A | 3.3403 | |
| 677 | L | A | 3.5272 | |
| 678 | A | A | 2.5570 | |
| 679 | A | A | 2.0890 | |
| 680 | S | A | 2.5243 | |
| 681 | L | A | 2.9808 | |
| 682 | T | A | 2.4278 | |
| 683 | L | A | 2.8128 | |
| 684 | L | A | 1.9561 | |
| 685 | L | A | 1.2466 | |
| 686 | I | A | 1.3661 | |
| 687 | G | A | -0.6601 | |
| 688 | R | A | -2.8527 | |
| 689 | R | A | -3.5923 | |
| 690 | Q | A | -3.9228 | |
| 691 | Q | A | -4.7567 | |
| 692 | R | A | -5.1954 | |
| 693 | R | A | -5.2367 | |
| 694 | R | A | -4.2247 | |
| 695 | Q | A | -3.2449 | |
| 696 | R | A | -3.4537 | |
| 697 | E | A | -2.4152 | |
| 698 | L | A | -0.6370 | |
| 699 | L | A | -0.5062 | |
| 700 | A | A | -1.1030 | |
| 701 | R | A | -1.8378 | |
| 702 | D | A | -2.0990 | |
| 703 | K | A | -1.5063 | |
| 704 | V | A | 0.1452 | |
| 705 | G | A | -0.6240 | |
| 706 | L | A | 0.0916 | |
| 707 | D | A | -0.6791 | |
| 708 | L | A | 0.9396 | |
| 709 | G | A | -0.0214 | |
| 710 | A | A | -0.2751 | |
| 711 | P | A | -0.3622 | |
| 712 | P | A | -0.5842 | |
| 713 | S | A | -0.6440 | |
| 714 | G | A | -0.7058 | |
| 715 | T | A | -0.4255 | |
| 716 | T | A | -0.0493 | |
| 717 | S | A | 0.3110 | |
| 718 | Y | A | 0.8063 | |
| 719 | S | A | -0.4618 | |
| 720 | Q | A | -1.9512 | |
| 721 | D | A | -2.6038 | |
| 722 | P | A | -1.5864 | |
| 723 | P | A | -0.9366 | |
| 724 | S | A | -0.5630 | |
| 725 | P | A | -0.8311 | |
| 726 | S | A | -1.1934 | |
| 727 | P | A | -1.7445 | |
| 728 | E | A | -3.6534 | |
| 729 | D | A | -4.0687 | |
| 730 | E | A | -3.6190 | |
| 731 | R | A | -2.5651 | |
| 732 | L | A | 0.2449 | |
| 733 | P | A | 0.8545 | |
| 734 | L | A | 1.9879 | |
| 735 | A | A | 1.3560 | |
| 736 | L | A | 1.3141 | |
| 737 | G | A | -0.8338 | |
| 738 | K | A | -2.5665 | |
| 739 | R | A | -3.0411 | |
| 740 | G | A | -2.0001 | |
| 741 | S | A | -0.6462 | |
| 742 | G | A | 0.1750 | |
| 743 | F | A | 1.3399 | |
| 744 | G | A | 0.5460 | |
| 745 | G | A | 0.7102 | |
| 746 | F | A | 1.4101 | |
| 747 | P | A | 0.3347 | |
| 748 | P | A | 0.5547 | |
| 749 | P | A | 1.1764 | |
| 750 | F | A | 2.6488 | |
| 751 | L | A | 2.6102 | |
| 752 | L | A | 1.8572 | |
| 753 | D | A | -0.2906 | |
| 754 | S | A | -0.2305 | |
| 755 | C | A | -0.3318 | |
| 756 | P | A | -0.4156 | |
| 757 | S | A | -0.5030 | |
| 758 | P | A | -0.3754 | |
| 759 | A | A | -0.2999 | |
| 760 | H | A | -0.4140 | |
| 761 | I | A | 1.0578 | |
| 762 | R | A | -0.4697 | |
| 763 | L | A | 0.9306 | |
| 764 | T | A | 0.1797 | |
| 765 | G | A | -0.1285 | |
| 766 | A | A | 0.1466 | |
| 767 | P | A | 0.2210 | |
| 768 | L | A | 1.4830 | |
| 769 | A | A | 0.6769 | |
| 770 | T | A | -0.0311 | |
| 771 | C | A | -0.4608 | |
| 772 | D | A | -2.3760 | |
| 773 | E | A | -2.3788 | |
| 774 | T | A | -1.0094 | |
| 775 | S | A | 0.0400 | |
| 776 | I | A | 1.7080 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.2293 | 7.8687 | View | CSV | PDB |
| 4.5 | -0.2817 | 7.8687 | View | CSV | PDB |
| 5.0 | -0.3461 | 7.8687 | View | CSV | PDB |
| 5.5 | -0.4115 | 7.8687 | View | CSV | PDB |
| 6.0 | -0.4673 | 7.8687 | View | CSV | PDB |
| 6.5 | -0.5074 | 7.8687 | View | CSV | PDB |
| 7.0 | -0.5326 | 7.8687 | View | CSV | PDB |
| 7.5 | -0.5484 | 7.8687 | View | CSV | PDB |
| 8.0 | -0.5587 | 7.8687 | View | CSV | PDB |
| 8.5 | -0.5635 | 7.8687 | View | CSV | PDB |
| 9.0 | -0.5608 | 7.8687 | 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