| Chain sequence(s) |
A: STAGKVIKCKAAVLWELKKPFSIEEVEVAPPKAHEVRIKMVAVGICGTDDHVVSGTMVTPLPVILGHEAAGIVESVGEGVTTVKPGDKVIPLAIPQCGKCRICKNPESNYCLKNDVSNPQGTLQDGTSRFTCRRKPIHHFLGISTFSQYTVVDENAVAKIDAASPLEKVCLIGCGFSTGYGSAVNVAKVTPGSTCAVFGLGGVGLSAIMGCKAAGAARIIAVDINKDKFAKAKELGATECINPQDYKKPIQEVLKEMTDGGVDFSFEVIGRLDTMMASLLCCHEACGTSVIVGVPPDSQNLSMNPMLLLTGRTWKGAILGGFKSKECVPKLVADFMAKKFSLDALITHVLPFEKINEGFDLLHSGKSIRTILMF
B: STAGKVIKCKAAVLWELKKPFSIEEVEVAPPKAHEVRIKMVAVGICGTDDHVVSGTMVTPLPVILGHEAAGIVESVGEGVTTVKPGDKVIPLAIPQCGKCRICKNPESNYCLKNDVSNPQGTLQDGTSRFTCRRKPIHHFLGISTFSQYTVVDENAVAKIDAASPLEKVCLIGCGFSTGYGSAVNVAKVTPGSTCAVFGLGGVGLSAIMGCKAAGAARIIAVDINKDKFAKAKELGATECINPQDYKKPIQEVLKEMTDGGVDFSFEVIGRLDTMMASLLCCHEACGTSVIVGVPPDSQNLSMNPMLLLTGRTWKGAILGGFKSKECVPKLVADFMAKKFSLDALITHVLPFEKINEGFDLLHSGKSIRTILMF 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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:09:00)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/489f3229dfe7b49/tmp/folded.pdb (00:09:00)
[INFO] Main: Simulation completed successfully. (00:12:37)
|
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 | -0.5708 | |
| 2 | T | A | -0.7446 | |
| 3 | A | A | -0.5994 | |
| 4 | G | A | -1.0786 | |
| 5 | K | A | -1.5215 | |
| 6 | V | A | -0.2242 | |
| 7 | I | A | 0.0000 | |
| 8 | K | A | -2.4395 | |
| 9 | C | A | 0.0000 | |
| 10 | K | A | -2.0534 | |
| 11 | A | A | 0.0000 | |
| 12 | A | A | 0.0000 | |
| 13 | V | A | 0.0000 | |
| 14 | L | A | 0.0000 | |
| 15 | W | A | -0.8907 | |
| 16 | E | A | -2.1423 | |
| 17 | L | A | -1.4075 | |
| 18 | K | A | -2.6627 | |
| 19 | K | A | -2.9054 | |
| 20 | P | A | -1.8056 | |
| 21 | F | A | 0.0000 | |
| 22 | S | A | -0.8961 | |
| 23 | I | A | -0.9060 | |
| 24 | E | A | -1.5860 | |
| 25 | E | A | -2.9573 | |
| 26 | V | A | 0.0000 | |
| 27 | E | A | -1.9382 | |
| 28 | V | A | 0.0000 | |
| 29 | A | A | -0.4457 | |
| 30 | P | A | -0.5010 | |
| 31 | P | A | -0.9490 | |
| 32 | K | A | -1.6931 | |
| 33 | A | A | -1.7955 | |
| 34 | H | A | -1.8156 | |
| 35 | E | A | 0.0000 | |
| 36 | V | A | 0.0000 | |
| 37 | R | A | 0.0000 | |
| 38 | I | A | 0.0000 | |
| 39 | K | A | -1.0728 | |
| 40 | M | A | 0.0000 | |
| 41 | V | A | 0.3075 | |
| 42 | A | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | G | A | 0.0000 | |
| 45 | I | A | 0.0000 | |
| 46 | C | A | 0.0000 | |
| 47 | G | A | -0.2335 | |
| 48 | T | A | -0.1455 | |
| 49 | D | A | 0.0000 | |
| 50 | D | A | -0.7129 | |
| 51 | H | A | -0.3779 | |
| 52 | V | A | 0.0000 | |
| 53 | V | A | -0.7769 | |
| 54 | S | A | -0.8608 | |
| 55 | G | A | -0.2533 | |
| 56 | T | A | -0.1271 | |
| 57 | M | A | 0.4758 | |
| 58 | V | A | 1.3672 | |
| 59 | T | A | 0.5536 | |
| 60 | P | A | 0.2197 | |
| 61 | L | A | 0.4225 | |
| 62 | P | A | 0.0000 | |
| 63 | V | A | 0.0000 | |
| 64 | I | A | 0.0000 | |
| 65 | L | A | 0.0000 | |
| 66 | G | A | 0.0000 | |
| 67 | H | A | 0.0000 | |
| 68 | E | A | 0.0000 | |
| 69 | A | A | 0.0000 | |
| 70 | A | A | 0.0000 | |
| 71 | G | A | 0.0000 | |
| 72 | I | A | -0.6006 | |
| 73 | V | A | 0.0000 | |
| 74 | E | A | -0.9200 | |
| 75 | S | A | 0.0000 | |
| 76 | V | A | -0.8792 | |
| 77 | G | A | 0.0000 | |
| 78 | E | A | -2.3240 | |
| 79 | G | A | -1.6143 | |
| 80 | V | A | -1.2632 | |
| 81 | T | A | -0.7704 | |
| 82 | T | A | -0.7722 | |
| 83 | V | A | 0.0000 | |
| 84 | K | A | -1.9754 | |
| 85 | P | A | -1.1775 | |
| 86 | G | A | -1.1989 | |
| 87 | D | A | -1.4098 | |
| 88 | K | A | -1.1995 | |
| 89 | V | A | 0.0000 | |
| 90 | I | A | 0.0000 | |
| 91 | P | A | 0.0000 | |
| 92 | L | A | 0.0000 | |
| 93 | A | A | 0.0000 | |
| 94 | I | A | 0.0000 | |
| 95 | P | A | 0.0000 | |
| 96 | Q | A | -1.0110 | |
| 97 | C | A | 0.0000 | |
| 98 | G | A | -1.6672 | |
| 99 | K | A | -2.1568 | |
| 100 | C | A | -1.2818 | |
| 101 | R | A | -1.5498 | |
| 102 | I | A | 0.0000 | |
| 103 | C | A | -1.7002 | |
| 104 | K | A | -2.7326 | |
| 105 | N | A | -1.9388 | |
| 106 | P | A | -1.7965 | |
| 107 | E | A | -2.2951 | |
| 108 | S | A | 0.0000 | |
| 109 | N | A | 0.0000 | |
| 110 | Y | A | 0.0000 | |
| 111 | C | A | 0.0000 | |
| 112 | L | A | 0.7920 | |
| 113 | K | A | -0.4962 | |
| 114 | N | A | -0.3876 | |
| 115 | D | A | 0.0000 | |
| 116 | V | A | -0.1542 | |
| 117 | S | A | -0.7277 | |
| 118 | N | A | -1.4651 | |
| 119 | P | A | -0.9610 | |
| 120 | Q | A | -1.7657 | |
| 121 | G | A | 0.0000 | |
| 122 | T | A | -1.1159 | |
| 123 | L | A | 0.0000 | |
| 124 | Q | A | -1.8319 | |
| 125 | D | A | -2.3080 | |
| 126 | G | A | -1.7141 | |
| 127 | T | A | -1.1264 | |
| 128 | S | A | -0.6162 | |
| 129 | R | A | 0.0000 | |
| 130 | F | A | 0.0000 | |
| 131 | T | A | -2.0699 | |
| 132 | C | A | 0.0000 | |
| 133 | R | A | -3.4715 | |
| 134 | R | A | -3.3109 | |
| 135 | K | A | -2.5520 | |
| 136 | P | A | -1.4619 | |
| 137 | I | A | 0.0000 | |
| 138 | H | A | -0.5098 | |
| 139 | H | A | 0.0000 | |
| 140 | F | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | G | A | -0.4612 | |
| 143 | I | A | 0.0000 | |
| 144 | S | A | 0.0000 | |
| 145 | T | A | 0.0000 | |
| 146 | F | A | 0.0000 | |
| 147 | S | A | 0.0000 | |
| 148 | Q | A | -0.7249 | |
| 149 | Y | A | -0.7961 | |
| 150 | T | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | V | A | 0.0000 | |
| 153 | D | A | -1.0174 | |
| 154 | E | A | -0.7128 | |
| 155 | N | A | -0.7666 | |
| 156 | A | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | A | A | 0.0000 | |
| 159 | K | A | -1.8768 | |
| 160 | I | A | 0.0000 | |
| 161 | D | A | -1.5292 | |
| 162 | A | A | -0.7518 | |
| 163 | A | A | -0.2903 | |
| 164 | S | A | 0.0000 | |
| 165 | P | A | -0.5958 | |
| 166 | L | A | 0.0000 | |
| 167 | E | A | -0.8563 | |
| 168 | K | A | -1.1770 | |
| 169 | V | A | 0.0000 | |
| 170 | C | A | 0.0000 | |
| 171 | L | A | 0.0000 | |
| 172 | I | A | 0.0000 | |
| 173 | G | A | 0.0000 | |
| 174 | C | A | 0.1342 | |
| 175 | G | A | 0.0000 | |
| 176 | F | A | 0.0000 | |
| 177 | S | A | 0.0000 | |
| 178 | T | A | 0.2086 | |
| 179 | G | A | 0.0000 | |
| 180 | Y | A | 0.2175 | |
| 181 | G | A | 0.0000 | |
| 182 | S | A | 0.0000 | |
| 183 | A | A | 0.0000 | |
| 184 | V | A | -0.3650 | |
| 185 | N | A | -0.7760 | |
| 186 | V | A | -0.5958 | |
| 187 | A | A | 0.0000 | |
| 188 | K | A | -1.5747 | |
| 189 | V | A | 0.0000 | |
| 190 | T | A | -0.7133 | |
| 191 | P | A | -1.0203 | |
| 192 | G | A | -0.9305 | |
| 193 | S | A | 0.0000 | |
| 194 | T | A | -0.4576 | |
| 195 | C | A | 0.0000 | |
| 196 | A | A | 0.0000 | |
| 197 | V | A | 0.0000 | |
| 198 | F | A | 0.0000 | |
| 199 | G | A | 0.0000 | |
| 200 | L | A | 0.0000 | |
| 201 | G | A | -0.0194 | |
| 202 | G | A | 0.0000 | |
| 203 | V | A | 0.3598 | |
| 204 | G | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | S | A | 0.0000 | |
| 207 | A | A | 0.0000 | |
| 208 | I | A | 0.0000 | |
| 209 | M | A | 0.0000 | |
| 210 | G | A | 0.0000 | |
| 211 | C | A | 0.0000 | |
| 212 | K | A | -1.7171 | |
| 213 | A | A | -0.8396 | |
| 214 | A | A | -0.8824 | |
| 215 | G | A | -0.9730 | |
| 216 | A | A | -1.0260 | |
| 217 | A | A | -0.8055 | |
| 218 | R | A | -1.0258 | |
| 219 | I | A | 0.0000 | |
| 220 | I | A | 0.0000 | |
| 221 | A | A | 0.0000 | |
| 222 | V | A | 0.0000 | |
| 223 | D | A | 0.0597 | |
| 224 | I | A | 0.5753 | |
| 225 | N | A | -1.1327 | |
| 226 | K | A | -2.1005 | |
| 227 | D | A | -2.8226 | |
| 228 | K | A | -1.9446 | |
| 229 | F | A | -1.6409 | |
| 230 | A | A | -1.7853 | |
| 231 | K | A | -1.9466 | |
| 232 | A | A | 0.0000 | |
| 233 | K | A | -2.6484 | |
| 234 | E | A | -2.7452 | |
| 235 | L | A | 0.0000 | |
| 236 | G | A | -1.8334 | |
| 237 | A | A | 0.0000 | |
| 238 | T | A | -1.2048 | |
| 239 | E | A | -0.8196 | |
| 240 | C | A | -0.6293 | |
| 241 | I | A | 0.0000 | |
| 242 | N | A | 0.0000 | |
| 243 | P | A | -0.9103 | |
| 244 | Q | A | -1.8380 | |
| 245 | D | A | -2.2253 | |
| 246 | Y | A | -1.6488 | |
| 247 | K | A | -2.3489 | |
| 248 | K | A | -2.0889 | |
| 249 | P | A | -1.2989 | |
| 250 | I | A | -1.2461 | |
| 251 | Q | A | -1.0855 | |
| 252 | E | A | -1.9838 | |
| 253 | V | A | 0.0000 | |
| 254 | L | A | 0.0000 | |
| 255 | K | A | -2.1315 | |
| 256 | E | A | -2.7606 | |
| 257 | M | A | -1.4535 | |
| 258 | T | A | 0.0000 | |
| 259 | D | A | -2.4956 | |
| 260 | G | A | -1.8973 | |
| 261 | G | A | 0.0000 | |
| 262 | V | A | 0.0000 | |
| 263 | D | A | -0.3937 | |
| 264 | F | A | -0.1995 | |
| 265 | S | A | 0.0000 | |
| 266 | F | A | 0.0000 | |
| 267 | E | A | 0.0000 | |
| 268 | V | A | 0.4542 | |
| 269 | I | A | 0.5402 | |
| 270 | G | A | 0.0000 | |
| 271 | R | A | -1.9415 | |
| 272 | L | A | -1.6671 | |
| 273 | D | A | -2.1862 | |
| 274 | T | A | -1.0834 | |
| 275 | M | A | 0.0000 | |
| 276 | M | A | -0.6148 | |
| 277 | A | A | 0.0000 | |
| 278 | S | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | L | A | 0.0569 | |
| 281 | C | A | 0.0000 | |
| 282 | C | A | 0.0000 | |
| 283 | H | A | 0.0000 | |
| 284 | E | A | -0.3229 | |
| 285 | A | A | 0.0000 | |
| 286 | C | A | -0.4486 | |
| 287 | G | A | 0.0000 | |
| 288 | T | A | -0.3362 | |
| 289 | S | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | I | A | 0.0000 | |
| 292 | V | A | 0.0000 | |
| 293 | G | A | 0.0000 | |
| 294 | V | A | 0.1416 | |
| 295 | P | A | 0.0000 | |
| 296 | P | A | -1.1649 | |
| 297 | D | A | -1.4401 | |
| 298 | S | A | -1.3886 | |
| 299 | Q | A | -2.1872 | |
| 300 | N | A | -1.6977 | |
| 301 | L | A | 0.0000 | |
| 302 | S | A | -1.2002 | |
| 303 | M | A | 0.0000 | |
| 304 | N | A | -1.0040 | |
| 305 | P | A | 0.0000 | |
| 306 | M | A | -0.0633 | |
| 307 | L | A | 0.1782 | |
| 308 | L | A | 0.0000 | |
| 309 | L | A | 0.0000 | |
| 310 | T | A | 0.0204 | |
| 311 | G | A | -0.2869 | |
| 312 | R | A | 0.0000 | |
| 313 | T | A | -0.1495 | |
| 314 | W | A | 0.0000 | |
| 315 | K | A | -0.2505 | |
| 316 | G | A | 0.0000 | |
| 317 | A | A | 0.0778 | |
| 318 | I | A | 0.2664 | |
| 319 | L | A | 0.0000 | |
| 320 | G | A | 0.0000 | |
| 321 | G | A | -0.2796 | |
| 322 | F | A | -0.4215 | |
| 323 | K | A | -0.8697 | |
| 324 | S | A | 0.0000 | |
| 325 | K | A | -1.3997 | |
| 326 | E | A | -1.8917 | |
| 327 | C | A | -1.1911 | |
| 328 | V | A | 0.0000 | |
| 329 | P | A | -1.7383 | |
| 330 | K | A | -2.2073 | |
| 331 | L | A | 0.0000 | |
| 332 | V | A | 0.0000 | |
| 333 | A | A | -1.4453 | |
| 334 | D | A | -1.9369 | |
| 335 | F | A | -1.3868 | |
| 336 | M | A | -1.0123 | |
| 337 | A | A | -1.3252 | |
| 338 | K | A | -2.4875 | |
| 339 | K | A | -2.5456 | |
| 340 | F | A | -1.4150 | |
| 341 | S | A | -1.2970 | |
| 342 | L | A | 0.0000 | |
| 343 | D | A | -1.5559 | |
| 344 | A | A | -1.0640 | |
| 345 | L | A | 0.0000 | |
| 346 | I | A | -0.1140 | |
| 347 | T | A | -0.0771 | |
| 348 | H | A | 0.6542 | |
| 349 | V | A | 1.5603 | |
| 350 | L | A | 0.0663 | |
| 351 | P | A | -0.5964 | |
| 352 | F | A | 0.0000 | |
| 353 | E | A | -2.7541 | |
| 354 | K | A | -2.9080 | |
| 355 | I | A | 0.0000 | |
| 356 | N | A | -2.7998 | |
| 357 | E | A | -3.4017 | |
| 358 | G | A | 0.0000 | |
| 359 | F | A | 0.0000 | |
| 360 | D | A | -3.0296 | |
| 361 | L | A | -2.0306 | |
| 362 | L | A | -1.6105 | |
| 363 | H | A | -2.0668 | |
| 364 | S | A | -1.6264 | |
| 365 | G | A | -2.0168 | |
| 366 | K | A | -2.4759 | |
| 367 | S | A | 0.0000 | |
| 368 | I | A | 0.0000 | |
| 369 | R | A | 0.0000 | |
| 370 | T | A | 0.0000 | |
| 371 | I | A | 0.0000 | |
| 372 | L | A | 0.0000 | |
| 373 | M | A | 0.4488 | |
| 374 | F | A | 0.4561 | |
| 1 | S | B | -0.5816 | |
| 2 | T | B | -0.6671 | |
| 3 | A | B | -0.5462 | |
| 4 | G | B | -1.0317 | |
| 5 | K | B | -1.2895 | |
| 6 | V | B | 0.3038 | |
| 7 | I | B | 0.0000 | |
| 8 | K | B | -2.2691 | |
| 9 | C | B | 0.0000 | |
| 10 | K | B | -2.0012 | |
| 11 | A | B | 0.0000 | |
| 12 | A | B | 0.0000 | |
| 13 | V | B | 0.0000 | |
| 14 | L | B | 0.0000 | |
| 15 | W | B | -0.8497 | |
| 16 | E | B | -2.0898 | |
| 17 | L | B | -1.3436 | |
| 18 | K | B | -2.6252 | |
| 19 | K | B | -2.8787 | |
| 20 | P | B | -1.7673 | |
| 21 | F | B | 0.0000 | |
| 22 | S | B | -0.6685 | |
| 23 | I | B | -0.8560 | |
| 24 | E | B | -1.5874 | |
| 25 | E | B | -2.9255 | |
| 26 | V | B | 0.0000 | |
| 27 | E | B | -1.7377 | |
| 28 | V | B | 0.0000 | |
| 29 | A | B | -0.2383 | |
| 30 | P | B | -0.4576 | |
| 31 | P | B | -1.0238 | |
| 32 | K | B | -1.9778 | |
| 33 | A | B | -1.9915 | |
| 34 | H | B | -1.9073 | |
| 35 | E | B | 0.0000 | |
| 36 | V | B | 0.0000 | |
| 37 | R | B | 0.0000 | |
| 38 | I | B | 0.0000 | |
| 39 | K | B | -0.9390 | |
| 40 | M | B | 0.0000 | |
| 41 | V | B | 0.3766 | |
| 42 | A | B | 0.0000 | |
| 43 | V | B | 0.0000 | |
| 44 | G | B | 0.0000 | |
| 45 | I | B | 0.0000 | |
| 46 | C | B | 0.0000 | |
| 47 | G | B | -0.2183 | |
| 48 | T | B | -0.1526 | |
| 49 | D | B | 0.0000 | |
| 50 | D | B | -0.6724 | |
| 51 | H | B | -0.3313 | |
| 52 | V | B | 0.0000 | |
| 53 | V | B | -0.7982 | |
| 54 | S | B | -0.8101 | |
| 55 | G | B | -0.2022 | |
| 56 | T | B | -0.1968 | |
| 57 | M | B | 0.5893 | |
| 58 | V | B | 1.4402 | |
| 59 | T | B | 0.5530 | |
| 60 | P | B | 0.1924 | |
| 61 | L | B | 0.3721 | |
| 62 | P | B | -0.1929 | |
| 63 | V | B | 0.0000 | |
| 64 | I | B | 0.0000 | |
| 65 | L | B | 0.0000 | |
| 66 | G | B | 0.0000 | |
| 67 | H | B | 0.0000 | |
| 68 | E | B | 0.0000 | |
| 69 | A | B | 0.0000 | |
| 70 | A | B | 0.0000 | |
| 71 | G | B | 0.0000 | |
| 72 | I | B | -0.6665 | |
| 73 | V | B | 0.0000 | |
| 74 | E | B | -0.9303 | |
| 75 | S | B | 0.0000 | |
| 76 | V | B | -1.0809 | |
| 77 | G | B | -1.8003 | |
| 78 | E | B | -2.4634 | |
| 79 | G | B | -1.7062 | |
| 80 | V | B | -1.3599 | |
| 81 | T | B | -0.8107 | |
| 82 | T | B | -0.8715 | |
| 83 | V | B | 0.0000 | |
| 84 | K | B | -2.1140 | |
| 85 | P | B | -1.2973 | |
| 86 | G | B | -1.3022 | |
| 87 | D | B | -1.6941 | |
| 88 | K | B | -1.3582 | |
| 89 | V | B | 0.0000 | |
| 90 | I | B | 0.0000 | |
| 91 | P | B | 0.0000 | |
| 92 | L | B | 0.0000 | |
| 93 | A | B | 0.0000 | |
| 94 | I | B | 0.0000 | |
| 95 | P | B | 0.0000 | |
| 96 | Q | B | -0.9946 | |
| 97 | C | B | -0.9478 | |
| 98 | G | B | -1.6698 | |
| 99 | K | B | -2.2152 | |
| 100 | C | B | 0.0000 | |
| 101 | R | B | -1.5769 | |
| 102 | I | B | 0.0000 | |
| 103 | C | B | 0.0000 | |
| 104 | K | B | -2.7777 | |
| 105 | N | B | -1.9666 | |
| 106 | P | B | -1.7477 | |
| 107 | E | B | -2.2971 | |
| 108 | S | B | 0.0000 | |
| 109 | N | B | 0.0000 | |
| 110 | Y | B | 0.0000 | |
| 111 | C | B | 0.0000 | |
| 112 | L | B | 0.6333 | |
| 113 | K | B | -0.7409 | |
| 114 | N | B | -0.5146 | |
| 115 | D | B | -0.8341 | |
| 116 | V | B | -0.1077 | |
| 117 | S | B | -0.7601 | |
| 118 | N | B | -1.4726 | |
| 119 | P | B | -0.9371 | |
| 120 | Q | B | -1.7710 | |
| 121 | G | B | 0.0000 | |
| 122 | T | B | -1.0996 | |
| 123 | L | B | 0.0000 | |
| 124 | Q | B | -1.8846 | |
| 125 | D | B | -2.3211 | |
| 126 | G | B | -1.7081 | |
| 127 | T | B | -1.1179 | |
| 128 | S | B | -0.6089 | |
| 129 | R | B | 0.0000 | |
| 130 | F | B | 0.0000 | |
| 131 | T | B | -2.0712 | |
| 132 | C | B | 0.0000 | |
| 133 | R | B | -3.5083 | |
| 134 | R | B | -3.3757 | |
| 135 | K | B | -2.7069 | |
| 136 | P | B | -1.5589 | |
| 137 | I | B | 0.0000 | |
| 138 | H | B | -0.5325 | |
| 139 | H | B | 0.0000 | |
| 140 | F | B | 0.0000 | |
| 141 | L | B | -0.0419 | |
| 142 | G | B | -0.3966 | |
| 143 | I | B | 0.0000 | |
| 144 | S | B | 0.0000 | |
| 145 | T | B | 0.0000 | |
| 146 | F | B | 0.0000 | |
| 147 | S | B | 0.0000 | |
| 148 | Q | B | -0.6001 | |
| 149 | Y | B | -0.6800 | |
| 150 | T | B | 0.0000 | |
| 151 | V | B | 0.0000 | |
| 152 | V | B | 0.0000 | |
| 153 | D | B | 0.0000 | |
| 154 | E | B | -0.6379 | |
| 155 | N | B | -0.6952 | |
| 156 | A | B | 0.0000 | |
| 157 | V | B | 0.0000 | |
| 158 | A | B | 0.0000 | |
| 159 | K | B | -2.1470 | |
| 160 | I | B | 0.0000 | |
| 161 | D | B | -1.6391 | |
| 162 | A | B | -0.8519 | |
| 163 | A | B | -0.3004 | |
| 164 | S | B | 0.0000 | |
| 165 | P | B | -0.5593 | |
| 166 | L | B | 0.0000 | |
| 167 | E | B | -0.7416 | |
| 168 | K | B | -1.1311 | |
| 169 | V | B | 0.0000 | |
| 170 | C | B | 0.0000 | |
| 171 | L | B | 0.0000 | |
| 172 | I | B | 0.0000 | |
| 173 | G | B | 0.0000 | |
| 174 | C | B | 0.1448 | |
| 175 | G | B | 0.0000 | |
| 176 | F | B | 0.0000 | |
| 177 | S | B | 0.0000 | |
| 178 | T | B | 0.2124 | |
| 179 | G | B | 0.0000 | |
| 180 | Y | B | 0.2406 | |
| 181 | G | B | 0.0000 | |
| 182 | S | B | 0.0000 | |
| 183 | A | B | 0.0000 | |
| 184 | V | B | -0.2947 | |
| 185 | N | B | -0.7411 | |
| 186 | V | B | -0.5733 | |
| 187 | A | B | 0.0000 | |
| 188 | K | B | -1.5581 | |
| 189 | V | B | 0.0000 | |
| 190 | T | B | -0.7400 | |
| 191 | P | B | -0.9882 | |
| 192 | G | B | -0.7734 | |
| 193 | S | B | 0.0000 | |
| 194 | T | B | -0.4475 | |
| 195 | C | B | 0.0000 | |
| 196 | A | B | 0.0000 | |
| 197 | V | B | 0.0000 | |
| 198 | F | B | 0.0000 | |
| 199 | G | B | 0.0000 | |
| 200 | L | B | 0.0000 | |
| 201 | G | B | -0.0339 | |
| 202 | G | B | 0.0000 | |
| 203 | V | B | 0.3777 | |
| 204 | G | B | 0.0000 | |
| 205 | L | B | 0.0000 | |
| 206 | S | B | 0.0000 | |
| 207 | A | B | 0.0000 | |
| 208 | I | B | 0.0000 | |
| 209 | M | B | -0.4846 | |
| 210 | G | B | 0.0000 | |
| 211 | C | B | 0.0000 | |
| 212 | K | B | -1.6851 | |
| 213 | A | B | -0.6877 | |
| 214 | A | B | -0.8791 | |
| 215 | G | B | -1.0620 | |
| 216 | A | B | -1.0625 | |
| 217 | A | B | -0.7908 | |
| 218 | R | B | -0.9793 | |
| 219 | I | B | 0.0000 | |
| 220 | I | B | 0.0000 | |
| 221 | A | B | 0.0000 | |
| 222 | V | B | 0.0000 | |
| 223 | D | B | -0.0237 | |
| 224 | I | B | 0.5029 | |
| 225 | N | B | -1.1437 | |
| 226 | K | B | -2.1212 | |
| 227 | D | B | -2.7517 | |
| 228 | K | B | 0.0000 | |
| 229 | F | B | -1.5532 | |
| 230 | A | B | -1.6921 | |
| 231 | K | B | -1.8050 | |
| 232 | A | B | 0.0000 | |
| 233 | K | B | -2.6370 | |
| 234 | E | B | -2.6521 | |
| 235 | L | B | -1.5908 | |
| 236 | G | B | -1.7141 | |
| 237 | A | B | 0.0000 | |
| 238 | T | B | -1.1978 | |
| 239 | E | B | -0.8289 | |
| 240 | C | B | -0.6869 | |
| 241 | I | B | 0.0000 | |
| 242 | N | B | -0.7608 | |
| 243 | P | B | -1.0250 | |
| 244 | Q | B | -1.9375 | |
| 245 | D | B | -2.3441 | |
| 246 | Y | B | -1.8091 | |
| 247 | K | B | -2.4232 | |
| 248 | K | B | -2.2409 | |
| 249 | P | B | -1.4533 | |
| 250 | I | B | -1.4125 | |
| 251 | Q | B | -1.2828 | |
| 252 | E | B | -2.3129 | |
| 253 | V | B | 0.0000 | |
| 254 | L | B | 0.0000 | |
| 255 | K | B | -2.1452 | |
| 256 | E | B | -2.7664 | |
| 257 | M | B | -1.3574 | |
| 258 | T | B | 0.0000 | |
| 259 | D | B | -2.4386 | |
| 260 | G | B | -1.9392 | |
| 261 | G | B | 0.0000 | |
| 262 | V | B | 0.0000 | |
| 263 | D | B | -0.4384 | |
| 264 | F | B | -0.2185 | |
| 265 | S | B | 0.0000 | |
| 266 | F | B | 0.0000 | |
| 267 | E | B | 0.0000 | |
| 268 | V | B | 0.4082 | |
| 269 | I | B | 0.4974 | |
| 270 | G | B | 0.0000 | |
| 271 | R | B | -1.9362 | |
| 272 | L | B | -1.6670 | |
| 273 | D | B | -2.1616 | |
| 274 | T | B | -1.0781 | |
| 275 | M | B | 0.0000 | |
| 276 | M | B | -0.6016 | |
| 277 | A | B | 0.0000 | |
| 278 | S | B | 0.0000 | |
| 279 | L | B | 0.0000 | |
| 280 | L | B | -0.0028 | |
| 281 | C | B | 0.0000 | |
| 282 | C | B | 0.0000 | |
| 283 | H | B | 0.0000 | |
| 284 | E | B | -0.3717 | |
| 285 | A | B | 0.0000 | |
| 286 | C | B | -0.4828 | |
| 287 | G | B | 0.0000 | |
| 288 | T | B | -0.3535 | |
| 289 | S | B | 0.0000 | |
| 290 | V | B | 0.0000 | |
| 291 | I | B | 0.0000 | |
| 292 | V | B | 0.0000 | |
| 293 | G | B | 0.0000 | |
| 294 | V | B | 0.0398 | |
| 295 | P | B | 0.0000 | |
| 296 | P | B | -1.0931 | |
| 297 | D | B | -1.2084 | |
| 298 | S | B | -1.2755 | |
| 299 | Q | B | -2.0758 | |
| 300 | N | B | -1.7540 | |
| 301 | L | B | 0.0000 | |
| 302 | S | B | -1.1939 | |
| 303 | M | B | 0.0000 | |
| 304 | N | B | -0.9839 | |
| 305 | P | B | 0.0000 | |
| 306 | M | B | -0.0548 | |
| 307 | L | B | 0.1537 | |
| 308 | L | B | 0.0000 | |
| 309 | L | B | 0.0000 | |
| 310 | T | B | -0.0207 | |
| 311 | G | B | -0.3155 | |
| 312 | R | B | 0.0000 | |
| 313 | T | B | -0.1652 | |
| 314 | W | B | 0.0000 | |
| 315 | K | B | -0.2502 | |
| 316 | G | B | 0.0000 | |
| 317 | A | B | 0.0751 | |
| 318 | I | B | 0.2795 | |
| 319 | L | B | 0.0000 | |
| 320 | G | B | 0.0000 | |
| 321 | G | B | -0.2742 | |
| 322 | F | B | -0.4018 | |
| 323 | K | B | -0.8047 | |
| 324 | S | B | 0.0000 | |
| 325 | K | B | -1.3398 | |
| 326 | E | B | -1.7187 | |
| 327 | C | B | -1.1282 | |
| 328 | V | B | 0.0000 | |
| 329 | P | B | -1.8002 | |
| 330 | K | B | -2.2234 | |
| 331 | L | B | 0.0000 | |
| 332 | V | B | 0.0000 | |
| 333 | A | B | -1.5051 | |
| 334 | D | B | -2.0382 | |
| 335 | F | B | -1.4052 | |
| 336 | M | B | -1.0161 | |
| 337 | A | B | -1.3724 | |
| 338 | K | B | -2.5125 | |
| 339 | K | B | -2.5876 | |
| 340 | F | B | -1.4315 | |
| 341 | S | B | -1.3153 | |
| 342 | L | B | 0.0000 | |
| 343 | D | B | -1.7549 | |
| 344 | A | B | -1.1216 | |
| 345 | L | B | 0.0000 | |
| 346 | I | B | -0.2197 | |
| 347 | T | B | -0.1975 | |
| 348 | H | B | 0.5066 | |
| 349 | V | B | 1.5173 | |
| 350 | L | B | 0.1453 | |
| 351 | P | B | -0.5683 | |
| 352 | F | B | 0.0000 | |
| 353 | E | B | -2.7270 | |
| 354 | K | B | -2.8794 | |
| 355 | I | B | 0.0000 | |
| 356 | N | B | -2.6964 | |
| 357 | E | B | -3.2594 | |
| 358 | G | B | 0.0000 | |
| 359 | F | B | 0.0000 | |
| 360 | D | B | -2.9389 | |
| 361 | L | B | -1.9472 | |
| 362 | L | B | -1.5343 | |
| 363 | H | B | -2.0448 | |
| 364 | S | B | -1.6041 | |
| 365 | G | B | -1.7808 | |
| 366 | K | B | -2.4502 | |
| 367 | S | B | 0.0000 | |
| 368 | I | B | 0.0000 | |
| 369 | R | B | 0.0000 | |
| 370 | T | B | 0.0000 | |
| 371 | I | B | 0.0000 | |
| 372 | L | B | 0.0000 | |
| 373 | M | B | 0.5240 | |
| 374 | F | B | 0.4991 |
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 | -0.6186 | 1.8004 | View | CSV | PDB |
| 4.5 | -0.6673 | 1.6991 | View | CSV | PDB |
| 5.0 | -0.7235 | 1.5957 | View | CSV | PDB |
| 5.5 | -0.773 | 1.5142 | View | CSV | PDB |
| 6.0 | -0.7997 | 1.4672 | View | CSV | PDB |
| 6.5 | -0.794 | 1.4475 | View | CSV | PDB |
| 7.0 | -0.7593 | 1.5203 | View | CSV | PDB |
| 7.5 | -0.7071 | 1.6359 | View | CSV | PDB |
| 8.0 | -0.6456 | 1.7553 | View | CSV | PDB |
| 8.5 | -0.5774 | 1.8755 | View | CSV | PDB |
| 9.0 | -0.5031 | 1.9947 | 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