| Chain sequence(s) |
A: MATAQSNSPRVFCIGTADTKFDELRFLSEHVRSSLNSFSNKSSFKVGVTVVDVSTSWKETNSCADFDFVPSKDVLSCHTLGEETMGTFADIRGLAIAIMSKALETFLSIANDEQNLAGVIGLGGSGGTSLLSSAFRSLPIGIPKVIISTVASGQTESYIGTSDLVLFPSVVDICGINNVSKVVLSNAGAAFAGMVIGRLESSKEHSITNGKFTVGVTMFGVTTPCVNAVKERLVKEGYETLVFHATGVGGRAMEDLVRGGFIQGVLDITTTEVADYVVGGVMACDSSRFDAILEKKIPLVLSVGALDMVNFGPKTTIPPEFQQRKIHEHNEQVSLMRTTVGENKKFAAFIAEKLNKASSSVCVCLPEKGVSALDAPGKDFYDPEATSCLTRELQMLLENNERCQVKVLPYHINDAEFANALVDSFLEISPKSRHVECQPAESKSIQDIQNDNAVLEKYPSCNGKNFSRLNDFPNAKPETLQKRTVILQKLKDQISKGKPIIGAGAGTGISAKFEEAGGVDLIVLYNSGRFRMAGRGSLAGLLPFADANAIVLEMANEVLPVVKEVAVLAGVCATDPFRRMDNFLKQLESVGFCGVQNFPTVGLFDGNFRQNLEETGMGYGLEVEMIAAAHRMGLLTTPYAFCPDEAVAMAEAGADIIVAHMGLTTSGSIGAKTAVSLEESVTCVQAIADATHRIYPDAIVLCHGGPISSPEEAAYVLKRTTGVHGFYGASSMERLPVEQAITATVQQYKSISME
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[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 A 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 (00:07:58)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ff8d5cb93364d5f/tmp/folded.pdb (00:07:58)
[INFO] Main: Simulation completed successfully. (00:11:10)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 0.9307 | |
| 2 | A | A | 0.2481 | |
| 3 | T | A | -0.2800 | |
| 4 | A | A | -0.6619 | |
| 5 | Q | A | -1.6879 | |
| 6 | S | A | -2.1104 | |
| 7 | N | A | -2.2761 | |
| 8 | S | A | -1.6808 | |
| 9 | P | A | 0.0000 | |
| 10 | R | A | -0.9927 | |
| 11 | V | A | 0.0000 | |
| 12 | F | A | 0.0000 | |
| 13 | C | A | 0.0000 | |
| 14 | I | A | 0.0000 | |
| 15 | G | A | 0.0000 | |
| 16 | T | A | -0.1094 | |
| 17 | A | A | 0.0000 | |
| 18 | D | A | -0.9501 | |
| 19 | T | A | -0.4665 | |
| 20 | K | A | -0.5343 | |
| 21 | F | A | -0.7280 | |
| 22 | D | A | -1.6461 | |
| 23 | E | A | 0.0000 | |
| 24 | L | A | 0.0000 | |
| 25 | R | A | -1.5641 | |
| 26 | F | A | -1.0865 | |
| 27 | L | A | 0.0000 | |
| 28 | S | A | 0.0000 | |
| 29 | E | A | -1.5653 | |
| 30 | H | A | -1.3309 | |
| 31 | V | A | 0.0000 | |
| 32 | R | A | -1.1705 | |
| 33 | S | A | -0.9539 | |
| 34 | S | A | 0.0000 | |
| 35 | L | A | 0.0000 | |
| 36 | N | A | -1.7621 | |
| 37 | S | A | -0.5284 | |
| 38 | F | A | 0.1062 | |
| 39 | S | A | -1.5644 | |
| 40 | N | A | -2.0566 | |
| 41 | K | A | -2.8221 | |
| 42 | S | A | -1.7066 | |
| 43 | S | A | -1.3916 | |
| 44 | F | A | -1.3218 | |
| 45 | K | A | -2.0548 | |
| 46 | V | A | 0.0000 | |
| 47 | G | A | -1.0955 | |
| 48 | V | A | 0.0000 | |
| 49 | T | A | 0.0000 | |
| 50 | V | A | 0.0000 | |
| 51 | V | A | 0.0000 | |
| 52 | D | A | 0.0000 | |
| 53 | V | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | T | A | -0.4142 | |
| 56 | S | A | -0.4541 | |
| 57 | W | A | -0.1513 | |
| 58 | K | A | -1.8461 | |
| 59 | E | A | -2.7663 | |
| 60 | T | A | -1.7985 | |
| 61 | N | A | -1.8975 | |
| 62 | S | A | -1.5488 | |
| 63 | C | A | 0.0000 | |
| 64 | A | A | -1.3650 | |
| 65 | D | A | -2.2731 | |
| 66 | F | A | 0.0000 | |
| 67 | D | A | -2.0636 | |
| 68 | F | A | -1.0555 | |
| 69 | V | A | -0.9360 | |
| 70 | P | A | -1.4963 | |
| 71 | S | A | -1.5822 | |
| 72 | K | A | -2.1880 | |
| 73 | D | A | -2.1927 | |
| 74 | V | A | 0.0000 | |
| 75 | L | A | -0.2126 | |
| 76 | S | A | -0.7903 | |
| 77 | C | A | -0.1371 | |
| 78 | H | A | 0.1103 | |
| 79 | T | A | 0.4631 | |
| 80 | L | A | 0.4915 | |
| 81 | G | A | -0.9179 | |
| 82 | E | A | -2.2720 | |
| 83 | E | A | -2.3471 | |
| 84 | T | A | 0.0000 | |
| 85 | M | A | 0.0036 | |
| 86 | G | A | -0.3995 | |
| 87 | T | A | 0.1396 | |
| 88 | F | A | 0.5010 | |
| 89 | A | A | -0.2334 | |
| 90 | D | A | -0.9690 | |
| 91 | I | A | 0.7366 | |
| 92 | R | A | -0.8061 | |
| 93 | G | A | -0.2355 | |
| 94 | L | A | 0.7176 | |
| 95 | A | A | 0.3296 | |
| 96 | I | A | 0.3066 | |
| 97 | A | A | 0.1373 | |
| 98 | I | A | 0.5541 | |
| 99 | M | A | 0.0000 | |
| 100 | S | A | 0.0000 | |
| 101 | K | A | -0.3316 | |
| 102 | A | A | 0.0000 | |
| 103 | L | A | 0.0000 | |
| 104 | E | A | -0.4029 | |
| 105 | T | A | 0.0902 | |
| 106 | F | A | 0.1799 | |
| 107 | L | A | 0.0000 | |
| 108 | S | A | -0.6379 | |
| 109 | I | A | -0.3873 | |
| 110 | A | A | 0.0000 | |
| 111 | N | A | -1.7441 | |
| 112 | D | A | -2.7799 | |
| 113 | E | A | -3.0909 | |
| 114 | Q | A | -2.7317 | |
| 115 | N | A | -2.2092 | |
| 116 | L | A | 0.0000 | |
| 117 | A | A | 0.0000 | |
| 118 | G | A | 0.0000 | |
| 119 | V | A | 0.0000 | |
| 120 | I | A | 0.0000 | |
| 121 | G | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | G | A | 0.0000 | |
| 124 | G | A | -0.5873 | |
| 125 | S | A | -0.2694 | |
| 126 | G | A | -0.4930 | |
| 127 | G | A | -0.2707 | |
| 128 | T | A | 0.0000 | |
| 129 | S | A | -0.1076 | |
| 130 | L | A | 0.0000 | |
| 131 | L | A | 0.0000 | |
| 132 | S | A | 0.0000 | |
| 133 | S | A | -0.4050 | |
| 134 | A | A | 0.0000 | |
| 135 | F | A | 0.0000 | |
| 136 | R | A | -0.7742 | |
| 137 | S | A | -0.7000 | |
| 138 | L | A | 0.0000 | |
| 139 | P | A | -0.8348 | |
| 140 | I | A | -0.4667 | |
| 141 | G | A | -0.5262 | |
| 142 | I | A | 0.0000 | |
| 143 | P | A | 0.0000 | |
| 144 | K | A | 0.0000 | |
| 145 | V | A | 0.0000 | |
| 146 | I | A | 0.0000 | |
| 147 | I | A | 0.0000 | |
| 148 | S | A | 0.0000 | |
| 149 | T | A | -0.0064 | |
| 150 | V | A | -0.0381 | |
| 151 | A | A | 0.1907 | |
| 152 | S | A | -0.2816 | |
| 153 | G | A | -1.2680 | |
| 154 | Q | A | -1.8706 | |
| 155 | T | A | -1.4612 | |
| 156 | E | A | -2.1383 | |
| 157 | S | A | -1.2053 | |
| 158 | Y | A | -0.5722 | |
| 159 | I | A | -0.5601 | |
| 160 | G | A | -0.9412 | |
| 161 | T | A | -0.6935 | |
| 162 | S | A | -0.7256 | |
| 163 | D | A | -0.6297 | |
| 164 | L | A | 0.0000 | |
| 165 | V | A | 0.7603 | |
| 166 | L | A | 0.7128 | |
| 167 | F | A | 0.6724 | |
| 168 | P | A | 0.6195 | |
| 169 | S | A | 0.0000 | |
| 170 | V | A | 1.8367 | |
| 171 | V | A | 0.7800 | |
| 172 | D | A | -0.8565 | |
| 173 | I | A | 0.0000 | |
| 174 | C | A | -0.0361 | |
| 175 | G | A | -0.5551 | |
| 176 | I | A | -0.1935 | |
| 177 | N | A | -0.6710 | |
| 178 | N | A | -1.1594 | |
| 179 | V | A | 0.3316 | |
| 180 | S | A | 0.0000 | |
| 181 | K | A | -0.8575 | |
| 182 | V | A | 0.7339 | |
| 183 | V | A | 0.5598 | |
| 184 | L | A | 0.0000 | |
| 185 | S | A | -0.4864 | |
| 186 | N | A | -0.9229 | |
| 187 | A | A | 0.0000 | |
| 188 | G | A | 0.0000 | |
| 189 | A | A | -0.3972 | |
| 190 | A | A | -0.2964 | |
| 191 | F | A | 0.0000 | |
| 192 | A | A | 0.0000 | |
| 193 | G | A | 0.0819 | |
| 194 | M | A | 0.0138 | |
| 195 | V | A | 0.0000 | |
| 196 | I | A | 0.0000 | |
| 197 | G | A | -0.8230 | |
| 198 | R | A | -1.3049 | |
| 199 | L | A | -1.1246 | |
| 200 | E | A | -2.6701 | |
| 201 | S | A | -1.9880 | |
| 202 | S | A | -2.4974 | |
| 203 | K | A | -3.3275 | |
| 204 | E | A | -2.9380 | |
| 205 | H | A | -2.3170 | |
| 206 | S | A | -0.9715 | |
| 207 | I | A | 0.8392 | |
| 208 | T | A | -0.3129 | |
| 209 | N | A | -1.6119 | |
| 210 | G | A | -1.7593 | |
| 211 | K | A | -2.2894 | |
| 212 | F | A | -0.9400 | |
| 213 | T | A | 0.0000 | |
| 214 | V | A | 0.0000 | |
| 215 | G | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | T | A | 0.0000 | |
| 218 | M | A | -0.1523 | |
| 219 | F | A | 0.0000 | |
| 220 | G | A | -0.4916 | |
| 221 | V | A | 0.0000 | |
| 222 | T | A | 0.0000 | |
| 223 | T | A | -0.6761 | |
| 224 | P | A | -0.8284 | |
| 225 | C | A | 0.0000 | |
| 226 | V | A | 0.0000 | |
| 227 | N | A | -2.0418 | |
| 228 | A | A | -2.0317 | |
| 229 | V | A | 0.0000 | |
| 230 | K | A | -1.9573 | |
| 231 | E | A | -2.6153 | |
| 232 | R | A | -2.1668 | |
| 233 | L | A | 0.0000 | |
| 234 | V | A | -0.8206 | |
| 235 | K | A | -1.9995 | |
| 236 | E | A | -1.3806 | |
| 237 | G | A | -1.0247 | |
| 238 | Y | A | 0.0000 | |
| 239 | E | A | -1.4137 | |
| 240 | T | A | 0.0000 | |
| 241 | L | A | 0.7302 | |
| 242 | V | A | 0.7157 | |
| 243 | F | A | 0.3442 | |
| 244 | H | A | -0.4247 | |
| 245 | A | A | 0.0000 | |
| 246 | T | A | 0.2255 | |
| 247 | G | A | 0.0000 | |
| 248 | V | A | -0.1247 | |
| 249 | G | A | -0.1191 | |
| 250 | G | A | 0.0000 | |
| 251 | R | A | -0.7796 | |
| 252 | A | A | -0.6295 | |
| 253 | M | A | 0.0000 | |
| 254 | E | A | 0.0000 | |
| 255 | D | A | -1.4373 | |
| 256 | L | A | -0.6030 | |
| 257 | V | A | 0.0000 | |
| 258 | R | A | -2.5268 | |
| 259 | G | A | -1.2663 | |
| 260 | G | A | -0.9077 | |
| 261 | F | A | 0.4022 | |
| 262 | I | A | 0.0000 | |
| 263 | Q | A | -0.8807 | |
| 264 | G | A | 0.0000 | |
| 265 | V | A | 0.0000 | |
| 266 | L | A | 0.0000 | |
| 267 | D | A | 0.0000 | |
| 268 | I | A | 0.0000 | |
| 269 | T | A | 0.0000 | |
| 270 | T | A | 0.0000 | |
| 271 | T | A | 0.0000 | |
| 272 | E | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | A | A | 0.0000 | |
| 275 | D | A | 0.0000 | |
| 276 | Y | A | 0.7835 | |
| 277 | V | A | 0.2864 | |
| 278 | V | A | 0.3619 | |
| 279 | G | A | 0.3327 | |
| 280 | G | A | 0.8718 | |
| 281 | V | A | 1.8247 | |
| 282 | M | A | 0.9891 | |
| 283 | A | A | 0.6791 | |
| 284 | C | A | 0.0000 | |
| 285 | D | A | -0.8177 | |
| 286 | S | A | -0.5926 | |
| 287 | S | A | -0.7794 | |
| 288 | R | A | 0.0000 | |
| 289 | F | A | 0.0000 | |
| 290 | D | A | -1.7957 | |
| 291 | A | A | 0.0000 | |
| 292 | I | A | 0.0000 | |
| 293 | L | A | -2.3565 | |
| 294 | E | A | -3.4298 | |
| 295 | K | A | -3.3539 | |
| 296 | K | A | -2.8555 | |
| 297 | I | A | -1.3914 | |
| 298 | P | A | -0.6676 | |
| 299 | L | A | 0.0000 | |
| 300 | V | A | 0.0000 | |
| 301 | L | A | 0.0000 | |
| 302 | S | A | 0.0000 | |
| 303 | V | A | 0.0000 | |
| 304 | G | A | 0.0000 | |
| 305 | A | A | 0.0000 | |
| 306 | L | A | 0.0000 | |
| 307 | D | A | 0.0000 | |
| 308 | M | A | 0.0000 | |
| 309 | V | A | 0.0000 | |
| 310 | N | A | 0.0000 | |
| 311 | F | A | 0.0000 | |
| 312 | G | A | -1.4026 | |
| 313 | P | A | -2.1793 | |
| 314 | K | A | -2.4020 | |
| 315 | T | A | -1.0070 | |
| 316 | T | A | -0.7889 | |
| 317 | I | A | 0.0000 | |
| 318 | P | A | -1.1772 | |
| 319 | P | A | -1.6646 | |
| 320 | E | A | -2.4537 | |
| 321 | F | A | -1.9234 | |
| 322 | Q | A | -2.7426 | |
| 323 | Q | A | -2.5688 | |
| 324 | R | A | -2.1944 | |
| 325 | K | A | -2.3579 | |
| 326 | I | A | -1.8817 | |
| 327 | H | A | -2.0709 | |
| 328 | E | A | -3.2765 | |
| 329 | H | A | -2.8949 | |
| 330 | N | A | -3.5394 | |
| 331 | E | A | -3.6557 | |
| 332 | Q | A | -2.9623 | |
| 333 | V | A | -1.9880 | |
| 334 | S | A | 0.0000 | |
| 335 | L | A | 0.0000 | |
| 336 | M | A | 0.0000 | |
| 337 | R | A | 0.0000 | |
| 338 | T | A | 0.0000 | |
| 339 | T | A | -0.5473 | |
| 340 | V | A | -0.5287 | |
| 341 | G | A | -0.7070 | |
| 342 | E | A | -0.8856 | |
| 343 | N | A | 0.0000 | |
| 344 | K | A | -1.9982 | |
| 345 | K | A | -2.0154 | |
| 346 | F | A | 0.0000 | |
| 347 | A | A | 0.0000 | |
| 348 | A | A | -1.2619 | |
| 349 | F | A | -0.9035 | |
| 350 | I | A | 0.0000 | |
| 351 | A | A | 0.0000 | |
| 352 | E | A | -2.5060 | |
| 353 | K | A | -2.0548 | |
| 354 | L | A | 0.0000 | |
| 355 | N | A | -3.4277 | |
| 356 | K | A | -3.1745 | |
| 357 | A | A | 0.0000 | |
| 358 | S | A | -2.0253 | |
| 359 | S | A | -1.7435 | |
| 360 | S | A | -1.3985 | |
| 361 | V | A | 0.0000 | |
| 362 | C | A | 0.0000 | |
| 363 | V | A | 0.0000 | |
| 364 | C | A | 0.0000 | |
| 365 | L | A | 0.0000 | |
| 366 | P | A | 0.0000 | |
| 367 | E | A | -2.2294 | |
| 368 | K | A | -2.2666 | |
| 369 | G | A | 0.0000 | |
| 370 | V | A | 0.0000 | |
| 371 | S | A | 0.0000 | |
| 372 | A | A | -0.4681 | |
| 373 | L | A | -0.8933 | |
| 374 | D | A | 0.0000 | |
| 375 | A | A | -1.1603 | |
| 376 | P | A | -1.2758 | |
| 377 | G | A | -1.5009 | |
| 378 | K | A | -2.3815 | |
| 379 | D | A | -2.6427 | |
| 380 | F | A | 0.0000 | |
| 381 | Y | A | -1.2863 | |
| 382 | D | A | -1.5035 | |
| 383 | P | A | -1.7800 | |
| 384 | E | A | -1.9107 | |
| 385 | A | A | 0.0000 | |
| 386 | T | A | 0.0000 | |
| 387 | S | A | -1.8171 | |
| 388 | C | A | -1.2938 | |
| 389 | L | A | 0.0000 | |
| 390 | T | A | -1.5704 | |
| 391 | R | A | -1.9096 | |
| 392 | E | A | -1.5745 | |
| 393 | L | A | 0.0000 | |
| 394 | Q | A | -1.5109 | |
| 395 | M | A | -0.6129 | |
| 396 | L | A | -0.8681 | |
| 397 | L | A | 0.0000 | |
| 398 | E | A | -2.8406 | |
| 399 | N | A | -2.8485 | |
| 400 | N | A | -3.2215 | |
| 401 | E | A | -3.4553 | |
| 402 | R | A | -2.9518 | |
| 403 | C | A | 0.0000 | |
| 404 | Q | A | -2.1889 | |
| 405 | V | A | 0.0000 | |
| 406 | K | A | -0.5116 | |
| 407 | V | A | -0.2387 | |
| 408 | L | A | -0.4994 | |
| 409 | P | A | -1.0533 | |
| 410 | Y | A | -1.1102 | |
| 411 | H | A | 0.0000 | |
| 412 | I | A | 0.0000 | |
| 413 | N | A | -1.0537 | |
| 414 | D | A | -1.4958 | |
| 415 | A | A | -1.5027 | |
| 416 | E | A | -2.2467 | |
| 417 | F | A | 0.0000 | |
| 418 | A | A | 0.0000 | |
| 419 | N | A | -2.0733 | |
| 420 | A | A | -1.5003 | |
| 421 | L | A | 0.0000 | |
| 422 | V | A | 0.0000 | |
| 423 | D | A | -2.3807 | |
| 424 | S | A | 0.0000 | |
| 425 | F | A | 0.0000 | |
| 426 | L | A | -1.4051 | |
| 427 | E | A | -2.2045 | |
| 428 | I | A | -1.0218 | |
| 429 | S | A | -0.9381 | |
| 430 | P | A | -1.3711 | |
| 431 | K | A | -1.9430 | |
| 432 | S | A | -1.5865 | |
| 433 | R | A | -2.6172 | |
| 434 | H | A | -1.7183 | |
| 435 | V | A | 0.0079 | |
| 436 | E | A | -1.6008 | |
| 437 | C | A | -0.4087 | |
| 438 | Q | A | -1.4605 | |
| 439 | P | A | -1.3890 | |
| 440 | A | A | -1.4028 | |
| 441 | E | A | -2.4654 | |
| 442 | S | A | -1.8312 | |
| 443 | K | A | -1.9254 | |
| 444 | S | A | -0.5919 | |
| 445 | I | A | 0.7195 | |
| 446 | Q | A | -0.9964 | |
| 447 | D | A | -1.3823 | |
| 448 | I | A | -0.0173 | |
| 449 | Q | A | -2.0249 | |
| 450 | N | A | -2.8243 | |
| 451 | D | A | -2.8033 | |
| 452 | N | A | -2.1028 | |
| 453 | A | A | -0.3014 | |
| 454 | V | A | 1.2108 | |
| 455 | L | A | 1.0811 | |
| 456 | E | A | -1.2731 | |
| 457 | K | A | -1.4245 | |
| 458 | Y | A | 0.2003 | |
| 459 | P | A | -0.3181 | |
| 460 | S | A | -0.2307 | |
| 461 | C | A | -0.1764 | |
| 462 | N | A | -1.5867 | |
| 463 | G | A | -1.7508 | |
| 464 | K | A | -2.2750 | |
| 465 | N | A | -1.7042 | |
| 466 | F | A | 0.5562 | |
| 467 | S | A | -0.4888 | |
| 468 | R | A | -1.4175 | |
| 469 | L | A | -0.0548 | |
| 470 | N | A | -1.6455 | |
| 471 | D | A | -1.3992 | |
| 472 | F | A | 0.0000 | |
| 473 | P | A | -1.6051 | |
| 474 | N | A | -2.0437 | |
| 475 | A | A | -2.0195 | |
| 476 | K | A | -2.5677 | |
| 477 | P | A | -2.1989 | |
| 478 | E | A | -3.0884 | |
| 479 | T | A | -2.2528 | |
| 480 | L | A | 0.0000 | |
| 481 | Q | A | -2.1157 | |
| 482 | K | A | -1.5857 | |
| 483 | R | A | 0.0000 | |
| 484 | T | A | -0.2500 | |
| 485 | V | A | 0.4025 | |
| 486 | I | A | -0.3871 | |
| 487 | L | A | -0.8384 | |
| 488 | Q | A | -1.7795 | |
| 489 | K | A | -2.1716 | |
| 490 | L | A | 0.0000 | |
| 491 | K | A | -2.5627 | |
| 492 | D | A | -2.7384 | |
| 493 | Q | A | -2.5130 | |
| 494 | I | A | -1.9502 | |
| 495 | S | A | -2.0146 | |
| 496 | K | A | -2.7748 | |
| 497 | G | A | -2.2789 | |
| 498 | K | A | -2.6050 | |
| 499 | P | A | -1.1953 | |
| 500 | I | A | 0.0000 | |
| 501 | I | A | 0.0342 | |
| 502 | G | A | 0.0000 | |
| 503 | A | A | 0.0000 | |
| 504 | G | A | 0.0000 | |
| 505 | A | A | 0.0000 | |
| 506 | G | A | 0.0000 | |
| 507 | T | A | 0.3154 | |
| 508 | G | A | 0.0000 | |
| 509 | I | A | 2.3317 | |
| 510 | S | A | 0.0000 | |
| 511 | A | A | 0.0000 | |
| 512 | K | A | 1.1322 | |
| 513 | F | A | 2.0949 | |
| 514 | E | A | 0.7486 | |
| 515 | E | A | 0.0000 | |
| 516 | A | A | 0.1160 | |
| 517 | G | A | -0.2622 | |
| 518 | G | A | -0.5455 | |
| 519 | V | A | 0.0000 | |
| 520 | D | A | 0.0000 | |
| 521 | L | A | 0.0000 | |
| 522 | I | A | 0.0000 | |
| 523 | V | A | 0.0000 | |
| 524 | L | A | 0.0000 | |
| 525 | Y | A | 0.0000 | |
| 526 | N | A | 0.0000 | |
| 527 | S | A | 0.0000 | |
| 528 | G | A | 0.0000 | |
| 529 | R | A | -0.5302 | |
| 530 | F | A | -0.5093 | |
| 531 | R | A | 0.0000 | |
| 532 | M | A | -0.2497 | |
| 533 | A | A | -0.5691 | |
| 534 | G | A | -1.1209 | |
| 535 | R | A | -1.8132 | |
| 536 | G | A | -0.6742 | |
| 537 | S | A | -0.0414 | |
| 538 | L | A | 0.7618 | |
| 539 | A | A | 0.5730 | |
| 540 | G | A | 0.0000 | |
| 541 | L | A | 0.9256 | |
| 542 | L | A | 1.2089 | |
| 543 | P | A | 0.7967 | |
| 544 | F | A | 1.8253 | |
| 545 | A | A | 0.5092 | |
| 546 | D | A | -0.6580 | |
| 547 | A | A | 0.0000 | |
| 548 | N | A | 0.0000 | |
| 549 | A | A | -0.6109 | |
| 550 | I | A | -0.6684 | |
| 551 | V | A | 0.0000 | |
| 552 | L | A | -0.7817 | |
| 553 | E | A | -2.1222 | |
| 554 | M | A | 0.0000 | |
| 555 | A | A | 0.0000 | |
| 556 | N | A | -1.9745 | |
| 557 | E | A | -1.4076 | |
| 558 | V | A | 0.0000 | |
| 559 | L | A | -0.4330 | |
| 560 | P | A | -0.6430 | |
| 561 | V | A | 0.2076 | |
| 562 | V | A | -0.4640 | |
| 563 | K | A | -2.3147 | |
| 564 | E | A | -2.4481 | |
| 565 | V | A | -1.1022 | |
| 566 | A | A | 0.0000 | |
| 567 | V | A | 0.0000 | |
| 568 | L | A | 0.0000 | |
| 569 | A | A | 0.0000 | |
| 570 | G | A | 0.0000 | |
| 571 | V | A | 0.0000 | |
| 572 | C | A | -0.0957 | |
| 573 | A | A | 0.0000 | |
| 574 | T | A | 0.0000 | |
| 575 | D | A | -0.1116 | |
| 576 | P | A | 0.1719 | |
| 577 | F | A | 1.1663 | |
| 578 | R | A | -0.8871 | |
| 579 | R | A | -2.5491 | |
| 580 | M | A | -2.4237 | |
| 581 | D | A | -3.3868 | |
| 582 | N | A | -3.4128 | |
| 583 | F | A | 0.0000 | |
| 584 | L | A | 0.0000 | |
| 585 | K | A | -2.6740 | |
| 586 | Q | A | -1.8636 | |
| 587 | L | A | 0.0000 | |
| 588 | E | A | -1.2114 | |
| 589 | S | A | -0.7048 | |
| 590 | V | A | -0.0630 | |
| 591 | G | A | -0.3698 | |
| 592 | F | A | 0.0000 | |
| 593 | C | A | -0.1671 | |
| 594 | G | A | 0.0000 | |
| 595 | V | A | 0.0000 | |
| 596 | Q | A | 0.0000 | |
| 597 | N | A | 0.0000 | |
| 598 | F | A | 0.0000 | |
| 599 | P | A | 0.0000 | |
| 600 | T | A | 0.0000 | |
| 601 | V | A | 0.0000 | |
| 602 | G | A | -0.1838 | |
| 603 | L | A | 0.0693 | |
| 604 | F | A | -0.5196 | |
| 605 | D | A | -2.1039 | |
| 606 | G | A | -1.8563 | |
| 607 | N | A | -1.9259 | |
| 608 | F | A | -0.3699 | |
| 609 | R | A | -1.8672 | |
| 610 | Q | A | -2.9579 | |
| 611 | N | A | -2.8052 | |
| 612 | L | A | -1.8436 | |
| 613 | E | A | -2.5826 | |
| 614 | E | A | -3.1372 | |
| 615 | T | A | -1.8322 | |
| 616 | G | A | -1.3061 | |
| 617 | M | A | -0.9233 | |
| 618 | G | A | -1.2178 | |
| 619 | Y | A | 0.0000 | |
| 620 | G | A | -0.7796 | |
| 621 | L | A | -0.4391 | |
| 622 | E | A | 0.0000 | |
| 623 | V | A | -0.9095 | |
| 624 | E | A | -1.6181 | |
| 625 | M | A | 0.0000 | |
| 626 | I | A | 0.0000 | |
| 627 | A | A | -1.0706 | |
| 628 | A | A | -1.3234 | |
| 629 | A | A | 0.0000 | |
| 630 | H | A | 0.0000 | |
| 631 | R | A | -1.6559 | |
| 632 | M | A | 0.0000 | |
| 633 | G | A | 0.0000 | |
| 634 | L | A | 0.0000 | |
| 635 | L | A | 0.0000 | |
| 636 | T | A | 0.0000 | |
| 637 | T | A | 0.0000 | |
| 638 | P | A | 0.0000 | |
| 639 | Y | A | 0.0000 | |
| 640 | A | A | 0.0000 | |
| 641 | F | A | 0.0871 | |
| 642 | C | A | -0.1851 | |
| 643 | P | A | -0.8283 | |
| 644 | D | A | -1.6272 | |
| 645 | E | A | -0.9892 | |
| 646 | A | A | 0.0000 | |
| 647 | V | A | -0.7255 | |
| 648 | A | A | -0.9885 | |
| 649 | M | A | 0.0000 | |
| 650 | A | A | 0.0000 | |
| 651 | E | A | -1.3484 | |
| 652 | A | A | -1.2056 | |
| 653 | G | A | -0.6082 | |
| 654 | A | A | 0.0000 | |
| 655 | D | A | 0.0000 | |
| 656 | I | A | 0.0000 | |
| 657 | I | A | 0.0000 | |
| 658 | V | A | 0.0000 | |
| 659 | A | A | 0.0000 | |
| 660 | H | A | 0.0000 | |
| 661 | M | A | 0.0000 | |
| 662 | G | A | 0.3101 | |
| 663 | L | A | 0.2316 | |
| 664 | T | A | 0.0000 | |
| 665 | T | A | -0.5218 | |
| 666 | S | A | -0.4936 | |
| 667 | G | A | -0.6587 | |
| 668 | S | A | -0.5348 | |
| 669 | I | A | -0.5053 | |
| 670 | G | A | -0.7232 | |
| 671 | A | A | -0.7687 | |
| 672 | K | A | -1.6779 | |
| 673 | T | A | -0.6912 | |
| 674 | A | A | -0.1057 | |
| 675 | V | A | 0.1509 | |
| 676 | S | A | -0.7826 | |
| 677 | L | A | -1.0118 | |
| 678 | E | A | -2.5867 | |
| 679 | E | A | -2.3895 | |
| 680 | S | A | 0.0000 | |
| 681 | V | A | 0.0000 | |
| 682 | T | A | -1.2590 | |
| 683 | C | A | -0.3990 | |
| 684 | V | A | 0.0000 | |
| 685 | Q | A | -0.7621 | |
| 686 | A | A | -0.4621 | |
| 687 | I | A | 0.0000 | |
| 688 | A | A | 0.0000 | |
| 689 | D | A | -1.2058 | |
| 690 | A | A | -1.0071 | |
| 691 | T | A | 0.0000 | |
| 692 | H | A | -1.3004 | |
| 693 | R | A | -1.6941 | |
| 694 | I | A | -0.3711 | |
| 695 | Y | A | -0.7037 | |
| 696 | P | A | -1.3443 | |
| 697 | D | A | -2.1190 | |
| 698 | A | A | 0.0000 | |
| 699 | I | A | 0.0000 | |
| 700 | V | A | 0.0000 | |
| 701 | L | A | 0.0000 | |
| 702 | C | A | 0.0000 | |
| 703 | H | A | 0.0000 | |
| 704 | G | A | 0.0000 | |
| 705 | G | A | 0.0000 | |
| 706 | P | A | -0.4347 | |
| 707 | I | A | 0.0000 | |
| 708 | S | A | -0.5081 | |
| 709 | S | A | -0.8606 | |
| 710 | P | A | -1.2260 | |
| 711 | E | A | -2.0477 | |
| 712 | E | A | -1.3552 | |
| 713 | A | A | 0.0000 | |
| 714 | A | A | -1.2925 | |
| 715 | Y | A | -1.3673 | |
| 716 | V | A | 0.0000 | |
| 717 | L | A | -1.2043 | |
| 718 | K | A | -2.1996 | |
| 719 | R | A | -2.3912 | |
| 720 | T | A | -1.2446 | |
| 721 | T | A | -0.8095 | |
| 722 | G | A | -0.5225 | |
| 723 | V | A | -0.4269 | |
| 724 | H | A | -0.4607 | |
| 725 | G | A | 0.0000 | |
| 726 | F | A | 0.0000 | |
| 727 | Y | A | 0.0000 | |
| 728 | G | A | 0.0000 | |
| 729 | A | A | 0.0000 | |
| 730 | S | A | 0.0000 | |
| 731 | S | A | 0.0565 | |
| 732 | M | A | 0.4507 | |
| 733 | E | A | 0.0000 | |
| 734 | R | A | 0.0000 | |
| 735 | L | A | -0.1373 | |
| 736 | P | A | -0.0120 | |
| 737 | V | A | 0.6370 | |
| 738 | E | A | -0.1860 | |
| 739 | Q | A | -0.6753 | |
| 740 | A | A | 0.5683 | |
| 741 | I | A | 1.7408 | |
| 742 | T | A | 0.5288 | |
| 743 | A | A | 0.0280 | |
| 744 | T | A | 0.4919 | |
| 745 | V | A | 1.1821 | |
| 746 | Q | A | -0.7279 | |
| 747 | Q | A | -0.6438 | |
| 748 | Y | A | 0.6061 | |
| 749 | K | A | -0.9784 | |
| 750 | S | A | -0.1287 | |
| 751 | I | A | 1.2225 | |
| 752 | S | A | 0.5817 | |
| 753 | M | A | 0.5245 | |
| 754 | E | A | -1.1557 |
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 | -0.4129 | 5.4258 | View | CSV | PDB |
| 4.5 | -0.4771 | 5.3724 | View | CSV | PDB |
| 5.0 | -0.5567 | 5.3181 | View | CSV | PDB |
| 5.5 | -0.6367 | 5.2635 | View | CSV | PDB |
| 6.0 | -0.7002 | 5.2091 | View | CSV | PDB |
| 6.5 | -0.7351 | 5.1553 | View | CSV | PDB |
| 7.0 | -0.7406 | 5.1037 | View | CSV | PDB |
| 7.5 | -0.7252 | 5.0576 | View | CSV | PDB |
| 8.0 | -0.6978 | 5.023 | View | CSV | PDB |
| 8.5 | -0.6622 | 5.0033 | View | CSV | PDB |
| 9.0 | -0.6189 | 4.9972 | 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