| Chain sequence(s) |
A: GSEQESVKEFLAKAKEDFLKKWETPSQNTAQLDQFDRIKTLGTGSFGRVMLVKHKESGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVAGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVSINEKCGKEFTEF
B: SLKGCELYVQLHGIQQVLKDCIVHLCISKPERPMKFLREHFEKLEKESPTPPNPVVKARRRRGGVSAEVYTEEDAVSYVRKVIPKDYKTMTALAKAISKNVLFAHLDDNERSDIFDAMFPVTHIAGETVIQQGNEGDNFYVVDQGEVDVYVNGEWVTNISEGGSFGELALIYGTPRAATVKAKTDLKLWGIDRDSYRRILMGSTLRKRKMYEEFLSKVSILESLEKWERLTVADALEPVQFEDGEKIVVQGEPGDDFYIITEGTASVLQRRSPNEEYVEVGRLGPSDYFGEIALLLNRPRAATVVARGPLKCVKLDRPRFERVLGPCSEILKRNIQRYNSFISLT 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:14:49)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b2afc053d9fec4c/tmp/folded.pdb (00:14:49)
[INFO] Main: Simulation completed successfully. (00:18:33)
|
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 |
|---|---|---|---|---|
| 9 | G | A | -1.3253 | |
| 10 | S | A | -2.1616 | |
| 11 | E | A | -3.0685 | |
| 12 | Q | A | -3.0814 | |
| 13 | E | A | -3.8178 | |
| 14 | S | A | -2.3901 | |
| 15 | V | A | -1.6920 | |
| 16 | K | A | -3.1329 | |
| 17 | E | A | -3.0656 | |
| 18 | F | A | -1.5073 | |
| 19 | L | A | -1.4842 | |
| 20 | A | A | -2.2690 | |
| 21 | K | A | -3.2095 | |
| 22 | A | A | -2.2593 | |
| 23 | K | A | -2.8523 | |
| 24 | E | A | -3.8065 | |
| 25 | D | A | -3.9729 | |
| 26 | F | A | 0.0000 | |
| 27 | L | A | -2.4671 | |
| 28 | K | A | -3.6182 | |
| 29 | K | A | -3.2253 | |
| 30 | W | A | -2.3885 | |
| 31 | E | A | -2.6661 | |
| 32 | T | A | -1.9998 | |
| 33 | P | A | -1.8280 | |
| 34 | S | A | -1.0728 | |
| 35 | Q | A | -1.5409 | |
| 36 | N | A | -1.7385 | |
| 37 | T | A | -1.0343 | |
| 38 | A | A | -1.2608 | |
| 39 | Q | A | -1.8937 | |
| 40 | L | A | 0.0000 | |
| 41 | D | A | -2.9508 | |
| 42 | Q | A | -3.2652 | |
| 43 | F | A | 0.0000 | |
| 44 | D | A | -3.4695 | |
| 45 | R | A | -2.3328 | |
| 46 | I | A | -1.5137 | |
| 47 | K | A | -3.0130 | |
| 48 | T | A | 0.0000 | |
| 49 | L | A | 0.0000 | |
| 50 | G | A | -1.3550 | |
| 51 | T | A | -0.6562 | |
| 52 | G | A | -0.7167 | |
| 53 | S | A | -0.2574 | |
| 54 | F | A | -0.0141 | |
| 55 | G | A | -0.3703 | |
| 56 | R | A | -0.3993 | |
| 57 | V | A | -0.2281 | |
| 58 | M | A | 0.0000 | |
| 59 | L | A | 0.0000 | |
| 60 | V | A | 0.0000 | |
| 61 | K | A | -3.0919 | |
| 62 | H | A | -3.4324 | |
| 63 | K | A | -4.1691 | |
| 64 | E | A | -3.3028 | |
| 65 | S | A | -2.3031 | |
| 66 | G | A | -2.5699 | |
| 67 | N | A | -2.3985 | |
| 68 | H | A | -1.6316 | |
| 69 | Y | A | 0.0000 | |
| 70 | A | A | 0.0000 | |
| 71 | M | A | 0.0000 | |
| 72 | K | A | -0.1133 | |
| 73 | I | A | -0.0165 | |
| 74 | L | A | 0.0000 | |
| 75 | D | A | -1.0158 | |
| 76 | K | A | 0.0000 | |
| 77 | Q | A | -1.2648 | |
| 78 | K | A | -1.4503 | |
| 79 | V | A | 0.0000 | |
| 80 | V | A | -1.2303 | |
| 81 | K | A | -2.0256 | |
| 82 | L | A | -1.1048 | |
| 83 | K | A | -2.0961 | |
| 84 | Q | A | 0.0000 | |
| 85 | I | A | -0.9080 | |
| 86 | E | A | -1.2439 | |
| 87 | H | A | 0.0000 | |
| 88 | T | A | 0.0000 | |
| 89 | L | A | -0.8465 | |
| 90 | N | A | -0.7997 | |
| 91 | E | A | 0.0000 | |
| 92 | K | A | 0.0000 | |
| 93 | R | A | -1.5980 | |
| 94 | I | A | 0.0000 | |
| 95 | L | A | -0.8228 | |
| 96 | Q | A | -1.0773 | |
| 97 | A | A | 0.0000 | |
| 98 | V | A | -1.2241 | |
| 99 | N | A | -1.8391 | |
| 100 | F | A | 0.0000 | |
| 101 | P | A | -0.7065 | |
| 102 | F | A | 0.0000 | |
| 103 | L | A | 0.0000 | |
| 104 | V | A | 0.0000 | |
| 105 | K | A | -2.0187 | |
| 106 | L | A | -1.0161 | |
| 107 | E | A | -0.9487 | |
| 108 | F | A | -0.5983 | |
| 109 | S | A | 0.0000 | |
| 110 | F | A | 0.0000 | |
| 111 | K | A | -1.2735 | |
| 112 | D | A | -1.4043 | |
| 113 | N | A | -1.5131 | |
| 114 | S | A | 0.0000 | |
| 115 | N | A | 0.0000 | |
| 116 | L | A | 0.0000 | |
| 117 | Y | A | 0.0000 | |
| 118 | M | A | 0.0000 | |
| 119 | V | A | 0.0000 | |
| 120 | M | A | -0.6301 | |
| 121 | E | A | -0.9406 | |
| 122 | Y | A | -0.4927 | |
| 123 | V | A | 0.0000 | |
| 124 | A | A | 0.0000 | |
| 125 | G | A | -0.5484 | |
| 126 | G | A | 0.0000 | |
| 127 | E | A | 0.0000 | |
| 128 | M | A | 0.0000 | |
| 129 | F | A | 0.0000 | |
| 130 | S | A | -1.1932 | |
| 131 | H | A | -0.7520 | |
| 132 | L | A | 0.0000 | |
| 133 | R | A | -1.8929 | |
| 134 | R | A | -2.2084 | |
| 135 | I | A | -0.9077 | |
| 136 | G | A | -1.2696 | |
| 137 | R | A | -0.7298 | |
| 138 | F | A | 0.0000 | |
| 139 | S | A | -0.7112 | |
| 140 | E | A | -0.8374 | |
| 141 | P | A | -0.8505 | |
| 142 | H | A | -0.8942 | |
| 143 | A | A | 0.0000 | |
| 144 | R | A | -0.6923 | |
| 145 | F | A | 0.0000 | |
| 146 | Y | A | 0.0000 | |
| 147 | A | A | 0.0000 | |
| 148 | A | A | 0.0000 | |
| 149 | Q | A | 0.0000 | |
| 150 | I | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | L | A | 0.2754 | |
| 153 | T | A | 0.0000 | |
| 154 | F | A | 0.0000 | |
| 155 | E | A | -0.5427 | |
| 156 | Y | A | 0.0000 | |
| 157 | L | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | S | A | -0.4403 | |
| 160 | L | A | 0.0000 | |
| 161 | D | A | -1.2589 | |
| 162 | L | A | 0.0000 | |
| 163 | I | A | 0.0000 | |
| 164 | Y | A | 0.0000 | |
| 165 | R | A | 0.0000 | |
| 166 | D | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | K | A | 0.0000 | |
| 169 | P | A | 0.0000 | |
| 170 | E | A | -0.5491 | |
| 171 | N | A | 0.0000 | |
| 172 | L | A | 0.0000 | |
| 173 | L | A | 0.0000 | |
| 174 | I | A | 0.0000 | |
| 175 | D | A | -0.8236 | |
| 176 | Q | A | -1.6155 | |
| 177 | Q | A | -1.8534 | |
| 178 | G | A | 0.0000 | |
| 179 | Y | A | 0.0000 | |
| 180 | I | A | 0.0000 | |
| 181 | Q | A | 0.0000 | |
| 182 | V | A | 0.0000 | |
| 183 | T | A | -0.4506 | |
| 184 | D | A | -0.5791 | |
| 185 | F | A | 0.0000 | |
| 186 | G | A | -0.3337 | |
| 187 | F | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | K | A | -1.1097 | |
| 190 | R | A | -1.5263 | |
| 191 | V | A | -1.5452 | |
| 192 | K | A | -2.1485 | |
| 193 | G | A | -1.3799 | |
| 194 | R | A | -1.4543 | |
| 195 | T | A | 0.0000 | |
| 196 | W | A | 0.0000 | |
| 197 | T | A | 0.0000 | |
| 198 | L | A | 0.0000 | |
| 199 | C | A | 0.0000 | |
| 200 | G | A | 0.0000 | |
| 201 | T | A | 0.0000 | |
| 202 | P | A | 0.2191 | |
| 203 | E | A | 0.0000 | |
| 204 | Y | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | A | A | 0.0000 | |
| 207 | P | A | 0.0000 | |
| 208 | E | A | -0.0805 | |
| 209 | I | A | 0.0000 | |
| 210 | I | A | 0.0000 | |
| 211 | L | A | 0.1268 | |
| 212 | S | A | 0.0000 | |
| 213 | K | A | -0.3922 | |
| 214 | G | A | 0.0000 | |
| 215 | Y | A | 0.0000 | |
| 216 | N | A | -1.2353 | |
| 217 | K | A | -1.5345 | |
| 218 | A | A | 0.0000 | |
| 219 | V | A | 0.0000 | |
| 220 | D | A | 0.0000 | |
| 221 | W | A | 0.0000 | |
| 222 | W | A | 0.0000 | |
| 223 | A | A | 0.0000 | |
| 224 | L | A | 0.0000 | |
| 225 | G | A | 0.0000 | |
| 226 | V | A | 0.0000 | |
| 227 | L | A | 0.0000 | |
| 228 | I | A | 0.0000 | |
| 229 | Y | A | 0.0000 | |
| 230 | E | A | 0.0000 | |
| 231 | M | A | 0.0000 | |
| 232 | A | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | G | A | -0.4295 | |
| 235 | Y | A | 0.0000 | |
| 236 | P | A | 0.0000 | |
| 237 | P | A | -0.1712 | |
| 238 | F | A | 0.0000 | |
| 239 | F | A | 0.7506 | |
| 240 | A | A | -0.9090 | |
| 241 | D | A | -2.1672 | |
| 242 | Q | A | -1.9918 | |
| 243 | P | A | -1.2549 | |
| 244 | I | A | -1.2831 | |
| 245 | Q | A | -1.7791 | |
| 246 | I | A | 0.0000 | |
| 247 | Y | A | 0.0000 | |
| 248 | E | A | -2.2401 | |
| 249 | K | A | -1.6979 | |
| 250 | I | A | 0.0000 | |
| 251 | V | A | -0.7067 | |
| 252 | S | A | -1.0035 | |
| 253 | G | A | -1.3509 | |
| 254 | K | A | -1.9351 | |
| 255 | V | A | -1.2066 | |
| 256 | R | A | -1.7637 | |
| 257 | F | A | -0.8781 | |
| 258 | P | A | 0.0000 | |
| 259 | S | A | -0.3104 | |
| 260 | H | A | -0.3432 | |
| 261 | F | A | 0.0000 | |
| 262 | S | A | -0.8344 | |
| 263 | S | A | -1.1245 | |
| 264 | D | A | -1.8456 | |
| 265 | L | A | 0.0000 | |
| 266 | K | A | -1.6837 | |
| 267 | D | A | -2.4716 | |
| 268 | L | A | 0.0000 | |
| 269 | L | A | 0.0000 | |
| 270 | R | A | -2.6646 | |
| 271 | N | A | -1.9054 | |
| 272 | L | A | 0.0000 | |
| 273 | L | A | -0.8458 | |
| 274 | Q | A | -1.0375 | |
| 275 | V | A | -0.2300 | |
| 276 | D | A | -0.6470 | |
| 277 | L | A | -0.4785 | |
| 278 | T | A | 0.0000 | |
| 279 | K | A | -1.9083 | |
| 280 | R | A | 0.0000 | |
| 281 | F | A | -1.0292 | |
| 282 | G | A | 0.0000 | |
| 283 | N | A | -1.3831 | |
| 284 | L | A | -1.8669 | |
| 285 | K | A | -2.5708 | |
| 286 | N | A | -1.9517 | |
| 287 | G | A | -1.4720 | |
| 288 | V | A | 0.0000 | |
| 289 | N | A | -2.2872 | |
| 290 | D | A | -1.9430 | |
| 291 | I | A | 0.0000 | |
| 292 | K | A | -1.8316 | |
| 293 | N | A | -2.3415 | |
| 294 | H | A | 0.0000 | |
| 295 | K | A | -2.3897 | |
| 296 | W | A | 0.0000 | |
| 297 | F | A | 0.0000 | |
| 298 | A | A | -1.2167 | |
| 299 | T | A | -0.7932 | |
| 300 | T | A | -0.9637 | |
| 301 | D | A | -1.1709 | |
| 302 | W | A | 0.1819 | |
| 303 | I | A | 1.0677 | |
| 304 | A | A | 0.0000 | |
| 305 | I | A | 0.0000 | |
| 306 | Y | A | -0.0697 | |
| 307 | Q | A | -1.1855 | |
| 308 | R | A | -1.7355 | |
| 309 | K | A | -2.4685 | |
| 310 | V | A | -1.6542 | |
| 311 | E | A | -2.0839 | |
| 312 | A | A | 0.0000 | |
| 313 | P | A | -0.3701 | |
| 314 | F | A | 0.1314 | |
| 315 | I | A | 0.3165 | |
| 316 | P | A | 0.0000 | |
| 317 | K | A | -1.6862 | |
| 318 | F | A | -1.0362 | |
| 319 | K | A | -2.0035 | |
| 320 | G | A | -1.2130 | |
| 321 | P | A | -0.9710 | |
| 322 | G | A | -1.0114 | |
| 323 | D | A | -0.9597 | |
| 324 | T | A | -1.1695 | |
| 325 | S | A | -1.2641 | |
| 326 | N | A | -1.0236 | |
| 327 | F | A | -1.1316 | |
| 328 | D | A | -2.4837 | |
| 329 | D | A | -3.2381 | |
| 330 | Y | A | -2.7617 | |
| 331 | E | A | -3.5116 | |
| 332 | E | A | -3.8234 | |
| 333 | E | A | -4.0417 | |
| 334 | E | A | -3.6851 | |
| 335 | I | A | -2.0881 | |
| 336 | R | A | -2.0428 | |
| 337 | V | A | -0.2440 | |
| 338 | S | A | -0.0998 | |
| 339 | I | A | 0.8487 | |
| 340 | N | A | -1.5316 | |
| 341 | E | A | -2.6821 | |
| 342 | K | A | -2.6208 | |
| 343 | C | A | -1.9705 | |
| 344 | G | A | -2.5355 | |
| 345 | K | A | -2.6084 | |
| 346 | E | A | -1.8185 | |
| 347 | F | A | 0.0000 | |
| 348 | T | A | -1.9281 | |
| 349 | E | A | -2.4259 | |
| 350 | F | A | 0.0000 | |
| 12 | S | B | 0.0802 | |
| 13 | L | B | 0.5922 | |
| 14 | K | B | -1.0535 | |
| 15 | G | B | -0.6871 | |
| 16 | C | B | -0.0931 | |
| 17 | E | B | -0.5319 | |
| 18 | L | B | 1.6225 | |
| 19 | Y | B | 2.3093 | |
| 20 | V | B | 2.3977 | |
| 21 | Q | B | 0.9585 | |
| 22 | L | B | 1.7894 | |
| 23 | H | B | 0.3628 | |
| 24 | G | B | 0.8442 | |
| 25 | I | B | 0.8956 | |
| 26 | Q | B | -0.4758 | |
| 27 | Q | B | 0.1317 | |
| 28 | V | B | 1.8344 | |
| 29 | L | B | 1.1745 | |
| 30 | K | B | -1.1462 | |
| 31 | D | B | -1.2942 | |
| 32 | C | B | 0.7281 | |
| 33 | I | B | 2.6583 | |
| 34 | V | B | 2.4340 | |
| 35 | H | B | 0.5135 | |
| 36 | L | B | 0.4362 | |
| 37 | C | B | 0.0000 | |
| 38 | I | B | -0.9531 | |
| 39 | S | B | -1.1552 | |
| 40 | K | B | -2.5061 | |
| 41 | P | B | -2.1390 | |
| 42 | E | B | -2.6084 | |
| 43 | R | B | -1.8059 | |
| 44 | P | B | -0.9764 | |
| 45 | M | B | -0.0540 | |
| 46 | K | B | -1.6549 | |
| 47 | F | B | -0.3849 | |
| 48 | L | B | -0.3257 | |
| 49 | R | B | -2.1003 | |
| 50 | E | B | -3.0707 | |
| 51 | H | B | -1.8208 | |
| 52 | F | B | -0.1850 | |
| 53 | E | B | -2.2575 | |
| 54 | K | B | -2.2104 | |
| 55 | L | B | -0.5613 | |
| 56 | E | B | -1.5351 | |
| 57 | K | B | -2.7799 | |
| 58 | E | B | -2.3712 | |
| 81 | S | B | -0.4250 | |
| 82 | P | B | -0.4518 | |
| 83 | T | B | -0.5827 | |
| 84 | P | B | -0.8175 | |
| 85 | P | B | -1.0667 | |
| 86 | N | B | -0.9237 | |
| 87 | P | B | 0.1827 | |
| 88 | V | B | 1.6682 | |
| 89 | V | B | 1.0633 | |
| 90 | K | B | -1.8074 | |
| 91 | A | B | -1.6255 | |
| 92 | R | B | -3.4872 | |
| 93 | R | B | -3.3839 | |
| 94 | R | B | -2.3832 | |
| 95 | R | B | -1.5083 | |
| 96 | G | B | -0.8741 | |
| 97 | G | B | 0.0000 | |
| 98 | V | B | 0.6508 | |
| 99 | S | B | 0.0000 | |
| 100 | A | B | 0.0000 | |
| 101 | E | B | -0.8948 | |
| 102 | V | B | -0.3739 | |
| 103 | Y | B | 0.0000 | |
| 104 | T | B | -1.3740 | |
| 105 | E | B | -2.4256 | |
| 106 | E | B | -2.3146 | |
| 107 | D | B | -1.3880 | |
| 108 | A | B | 0.0000 | |
| 109 | V | B | 0.4444 | |
| 110 | S | B | 0.0492 | |
| 111 | Y | B | 0.6895 | |
| 112 | V | B | 1.5712 | |
| 113 | R | B | 0.0095 | |
| 114 | K | B | -0.2978 | |
| 115 | V | B | 1.0914 | |
| 116 | I | B | 0.4740 | |
| 117 | P | B | -0.0778 | |
| 118 | K | B | -0.9713 | |
| 119 | D | B | -1.8321 | |
| 120 | Y | B | -0.3986 | |
| 121 | K | B | -1.6604 | |
| 122 | T | B | -1.0001 | |
| 123 | M | B | -0.6783 | |
| 124 | T | B | -0.7134 | |
| 125 | A | B | -0.8129 | |
| 126 | L | B | 0.0000 | |
| 127 | A | B | -1.0919 | |
| 128 | K | B | -2.0856 | |
| 129 | A | B | -1.5805 | |
| 130 | I | B | 0.0000 | |
| 131 | S | B | -1.6428 | |
| 132 | K | B | -2.1204 | |
| 133 | N | B | -1.4913 | |
| 134 | V | B | 0.0000 | |
| 135 | L | B | 0.0000 | |
| 136 | F | B | 0.0000 | |
| 137 | A | B | -0.6155 | |
| 138 | H | B | -0.5436 | |
| 139 | L | B | 0.0000 | |
| 140 | D | B | -1.6813 | |
| 141 | D | B | -2.7322 | |
| 142 | N | B | -2.1172 | |
| 143 | E | B | 0.0000 | |
| 144 | R | B | -1.5957 | |
| 145 | S | B | -1.1070 | |
| 146 | D | B | -1.0393 | |
| 147 | I | B | 0.0000 | |
| 148 | F | B | 0.0000 | |
| 149 | D | B | -0.0211 | |
| 150 | A | B | 0.0000 | |
| 151 | M | B | 0.0000 | |
| 152 | F | B | 0.3979 | |
| 153 | P | B | -0.1099 | |
| 154 | V | B | -0.2401 | |
| 155 | T | B | -0.6744 | |
| 156 | H | B | -0.3088 | |
| 157 | I | B | 0.3080 | |
| 158 | A | B | -0.8238 | |
| 159 | G | B | -1.0666 | |
| 160 | E | B | -0.9077 | |
| 161 | T | B | -0.7636 | |
| 162 | V | B | -0.1701 | |
| 163 | I | B | -1.3808 | |
| 164 | Q | B | -2.0773 | |
| 165 | Q | B | -2.1495 | |
| 166 | G | B | -2.0729 | |
| 167 | N | B | -2.9237 | |
| 168 | E | B | -3.2684 | |
| 169 | G | B | 0.0000 | |
| 170 | D | B | -2.7611 | |
| 171 | N | B | -1.5427 | |
| 172 | F | B | 0.0000 | |
| 173 | Y | B | 0.0289 | |
| 174 | V | B | 0.0000 | |
| 175 | V | B | 0.0000 | |
| 176 | D | B | -2.0629 | |
| 177 | Q | B | -2.9386 | |
| 178 | G | B | -2.3146 | |
| 179 | E | B | -2.3053 | |
| 180 | V | B | 0.0000 | |
| 181 | D | B | -0.3026 | |
| 182 | V | B | 0.3657 | |
| 183 | Y | B | -0.0691 | |
| 184 | V | B | -0.3776 | |
| 185 | N | B | -1.6270 | |
| 186 | G | B | -1.5554 | |
| 187 | E | B | -1.3448 | |
| 188 | W | B | 0.7012 | |
| 189 | V | B | 1.4383 | |
| 190 | T | B | 0.7648 | |
| 191 | N | B | -0.0742 | |
| 192 | I | B | -0.4617 | |
| 193 | S | B | -1.6441 | |
| 194 | E | B | -2.8633 | |
| 195 | G | B | -2.0114 | |
| 196 | G | B | -1.0219 | |
| 197 | S | B | -0.3406 | |
| 198 | F | B | 0.1661 | |
| 199 | G | B | -0.2878 | |
| 200 | E | B | -0.3088 | |
| 201 | L | B | -0.3500 | |
| 202 | A | B | 0.0000 | |
| 203 | L | B | 0.0000 | |
| 204 | I | B | 0.0000 | |
| 205 | Y | B | 0.0000 | |
| 206 | G | B | -1.4405 | |
| 207 | T | B | -1.3320 | |
| 208 | P | B | -2.1609 | |
| 209 | R | B | 0.0000 | |
| 210 | A | B | -1.0554 | |
| 211 | A | B | -0.7424 | |
| 212 | T | B | -1.2031 | |
| 213 | V | B | 0.0000 | |
| 214 | K | B | -1.0430 | |
| 215 | A | B | 0.0000 | |
| 216 | K | B | -1.6933 | |
| 217 | T | B | -1.6297 | |
| 218 | D | B | -1.7938 | |
| 219 | L | B | 0.0000 | |
| 220 | K | B | -2.1180 | |
| 221 | L | B | 0.0000 | |
| 222 | W | B | 0.0000 | |
| 223 | G | B | 0.0000 | |
| 224 | I | B | 0.0000 | |
| 225 | D | B | -1.0850 | |
| 226 | R | B | 0.0000 | |
| 227 | D | B | -1.0928 | |
| 228 | S | B | -0.6136 | |
| 229 | Y | B | 0.0000 | |
| 230 | R | B | 0.0000 | |
| 231 | R | B | -0.2204 | |
| 232 | I | B | 0.0000 | |
| 233 | L | B | 0.0000 | |
| 234 | M | B | 0.0000 | |
| 235 | G | B | -0.8313 | |
| 236 | S | B | -0.9965 | |
| 237 | T | B | 0.0000 | |
| 238 | L | B | 0.0000 | |
| 239 | R | B | -2.3085 | |
| 240 | K | B | -2.2584 | |
| 241 | R | B | -2.0221 | |
| 242 | K | B | -2.5148 | |
| 243 | M | B | -1.7747 | |
| 244 | Y | B | 0.0000 | |
| 245 | E | B | -2.4391 | |
| 246 | E | B | -2.7690 | |
| 247 | F | B | -1.8006 | |
| 248 | L | B | 0.0000 | |
| 249 | S | B | -2.5053 | |
| 250 | K | B | -2.6129 | |
| 251 | V | B | 0.0000 | |
| 252 | S | B | -1.1063 | |
| 253 | I | B | 0.0000 | |
| 254 | L | B | 0.0000 | |
| 255 | E | B | -2.5157 | |
| 256 | S | B | -2.4199 | |
| 257 | L | B | 0.0000 | |
| 258 | E | B | -2.3615 | |
| 259 | K | B | -2.2339 | |
| 260 | W | B | -0.8860 | |
| 261 | E | B | -1.1567 | |
| 262 | R | B | -1.8155 | |
| 263 | L | B | 0.0000 | |
| 264 | T | B | -0.6771 | |
| 265 | V | B | 0.0000 | |
| 266 | A | B | 0.0000 | |
| 267 | D | B | -1.2081 | |
| 268 | A | B | 0.0000 | |
| 269 | L | B | -0.9893 | |
| 270 | E | B | -1.7044 | |
| 271 | P | B | -0.9038 | |
| 272 | V | B | -0.0515 | |
| 273 | Q | B | -1.3155 | |
| 274 | F | B | -2.1905 | |
| 275 | E | B | -3.7630 | |
| 276 | D | B | -3.8848 | |
| 277 | G | B | -2.9207 | |
| 278 | E | B | -3.1071 | |
| 279 | K | B | -2.1075 | |
| 280 | I | B | -0.5174 | |
| 281 | V | B | 0.0000 | |
| 282 | V | B | -0.1740 | |
| 283 | Q | B | -0.8817 | |
| 284 | G | B | -1.6221 | |
| 285 | E | B | -1.9957 | |
| 286 | P | B | -2.0952 | |
| 287 | G | B | 0.0000 | |
| 288 | D | B | -1.7540 | |
| 289 | D | B | -1.2740 | |
| 290 | F | B | 0.0000 | |
| 291 | Y | B | 0.0000 | |
| 292 | I | B | 0.0000 | |
| 293 | I | B | 0.0000 | |
| 294 | T | B | -1.1267 | |
| 295 | E | B | -1.8240 | |
| 296 | G | B | -1.7737 | |
| 297 | T | B | -1.6957 | |
| 298 | A | B | 0.0000 | |
| 299 | S | B | 0.0000 | |
| 300 | V | B | -0.4817 | |
| 301 | L | B | -0.3824 | |
| 302 | Q | B | -1.0357 | |
| 303 | R | B | -2.5388 | |
| 304 | R | B | -2.6286 | |
| 305 | S | B | -2.3208 | |
| 306 | P | B | -2.1224 | |
| 307 | N | B | -2.7293 | |
| 308 | E | B | -3.2655 | |
| 309 | E | B | -2.8837 | |
| 310 | Y | B | -1.2280 | |
| 311 | V | B | -0.2505 | |
| 312 | E | B | -0.6862 | |
| 313 | V | B | 0.7517 | |
| 314 | G | B | -0.5289 | |
| 315 | R | B | -2.0291 | |
| 316 | L | B | -1.1022 | |
| 317 | G | B | -1.2007 | |
| 318 | P | B | -1.1447 | |
| 319 | S | B | -1.1262 | |
| 320 | D | B | -1.3150 | |
| 321 | Y | B | -0.3317 | |
| 322 | F | B | 0.0819 | |
| 323 | G | B | -0.3498 | |
| 324 | E | B | -0.1341 | |
| 325 | I | B | 0.0270 | |
| 326 | A | B | 0.0000 | |
| 327 | L | B | 0.0000 | |
| 328 | L | B | -0.2957 | |
| 329 | L | B | -0.4605 | |
| 330 | N | B | -1.9988 | |
| 331 | R | B | -2.7542 | |
| 332 | P | B | -2.2102 | |
| 333 | R | B | -1.5734 | |
| 334 | A | B | -0.9395 | |
| 335 | A | B | -0.4659 | |
| 336 | T | B | 0.0000 | |
| 337 | V | B | 0.0000 | |
| 338 | V | B | 0.0000 | |
| 339 | A | B | 0.0000 | |
| 340 | R | B | -3.3252 | |
| 341 | G | B | 0.0000 | |
| 342 | P | B | -2.5365 | |
| 343 | L | B | 0.0000 | |
| 344 | K | B | -1.3059 | |
| 345 | C | B | 0.0000 | |
| 346 | V | B | 0.0000 | |
| 347 | K | B | -0.7936 | |
| 348 | L | B | 0.0000 | |
| 349 | D | B | -1.2778 | |
| 350 | R | B | -1.3835 | |
| 351 | P | B | -1.1950 | |
| 352 | R | B | -1.5452 | |
| 353 | F | B | 0.0000 | |
| 354 | E | B | -1.9685 | |
| 355 | R | B | -2.8713 | |
| 356 | V | B | 0.0000 | |
| 357 | L | B | -1.2923 | |
| 358 | G | B | -1.6607 | |
| 359 | P | B | -1.3310 | |
| 360 | C | B | 0.0000 | |
| 361 | S | B | -1.4510 | |
| 362 | E | B | -2.5568 | |
| 363 | I | B | 0.0000 | |
| 364 | L | B | 0.0000 | |
| 365 | K | B | -2.6795 | |
| 366 | R | B | -3.0585 | |
| 367 | N | B | -2.0567 | |
| 368 | I | B | -0.3499 | |
| 369 | Q | B | -1.2070 | |
| 370 | R | B | -1.1470 | |
| 371 | Y | B | -0.9982 | |
| 372 | N | B | -0.1975 | |
| 373 | S | B | 0.3925 | |
| 374 | F | B | 1.0321 | |
| 375 | I | B | 1.6608 | |
| 376 | S | B | 0.9831 | |
| 377 | L | B | 1.8217 | |
| 378 | T | B | 0.9931 |
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 | -0.7644 | 3.8175 | View | CSV | PDB |
| 4.5 | -0.8387 | 3.7498 | View | CSV | PDB |
| 5.0 | -0.9322 | 3.6853 | View | CSV | PDB |
| 5.5 | -1.0256 | 3.6395 | View | CSV | PDB |
| 6.0 | -1.0974 | 3.6125 | View | CSV | PDB |
| 6.5 | -1.1307 | 3.5818 | View | CSV | PDB |
| 7.0 | -1.1235 | 3.5288 | View | CSV | PDB |
| 7.5 | -1.088 | 3.4574 | View | CSV | PDB |
| 8.0 | -1.0373 | 3.3808 | View | CSV | PDB |
| 8.5 | -0.9774 | 3.3119 | View | CSV | PDB |
| 9.0 | -0.9095 | 3.2627 | 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