| Chain sequence(s) |
A: AAATAHGATGYNALGNRRFRNLGLGYFSQLFQSAHFNSYANAYNNAAANARRSVADPAAHGMDASANNAYMSRAMNAHDLNSTYGDAASMMNLNMPNNWQMFLSYADADPGAHSHQYDHSSFMQQYSSDSQQFRRRFYYQWARRNPFYQHTFLFYFAQSVVGIFQQGGSSQDYQAGFYPSFSQLQSQIQQAAFQSFFSRYFIQHFGQQQLRRFFVVSFSSRFPSADFDFYMSFVSSRTSVYVFASNGNYLSATVSAFSLTDWYGNNYDSISSNLGSGGSTDHYSRYYGIYNVPTDSVPTDVSPYSTSFADDPNVGSKYKKDKSGFLDKFAYSYARQHPDLANPYKMYIVDSYEKILEEGGKKKDPYSVIKNVYEKLKKYVEKFKPIVKKYHEIYKKYGKKGFTYYYAREVTRKYPHYPTDVYVKFSIKYGEYGETHHDYPEEEQYPHFYEKYYLVYTELHAYSYVNPVDPRYYKICTESPYTMIENFFNLEPSDDYEPEPFDESKFTFTPEICTYPKEEQEELLLRFVVELFKTYPNVSDEKFEEILKLLEELIKKCCSSDDKEACFKKLNPIFIKKVKELCS
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] (00:00:00)
[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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:14:31)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/69d2145676279b9/tmp/folded.pdb (00:14:31)
[INFO] Main: Simulation completed successfully. (00:17:33)
|
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 |
|---|---|---|---|---|
| 1 | A | A | 0.0427 | |
| 2 | A | A | 0.0779 | |
| 3 | A | A | 0.0139 | |
| 4 | T | A | -0.0716 | |
| 5 | A | A | 0.0000 | |
| 6 | H | A | -0.9095 | |
| 7 | G | A | 0.0000 | |
| 8 | A | A | 0.0000 | |
| 9 | T | A | -0.6090 | |
| 10 | G | A | 0.0000 | |
| 11 | Y | A | 0.0000 | |
| 12 | N | A | -1.5524 | |
| 13 | A | A | -0.7131 | |
| 14 | L | A | 0.0000 | |
| 15 | G | A | -1.8030 | |
| 16 | N | A | -2.3718 | |
| 17 | R | A | -2.7252 | |
| 18 | R | A | -1.9194 | |
| 19 | F | A | 0.0000 | |
| 20 | R | A | -2.0763 | |
| 21 | N | A | -1.4725 | |
| 22 | L | A | 0.0000 | |
| 23 | G | A | 0.0000 | |
| 24 | L | A | 0.0000 | |
| 25 | G | A | 0.0000 | |
| 26 | Y | A | 0.0000 | |
| 27 | F | A | 0.0000 | |
| 28 | S | A | 0.0000 | |
| 29 | Q | A | 0.0000 | |
| 30 | L | A | 0.0000 | |
| 31 | F | A | 0.0000 | |
| 32 | Q | A | -1.0410 | |
| 33 | S | A | -0.6278 | |
| 34 | A | A | -1.0641 | |
| 35 | H | A | -1.3742 | |
| 36 | F | A | -1.2360 | |
| 37 | N | A | -1.7130 | |
| 38 | S | A | -1.3732 | |
| 39 | Y | A | 0.0000 | |
| 40 | A | A | -1.4230 | |
| 41 | N | A | -2.0545 | |
| 42 | A | A | 0.0000 | |
| 43 | Y | A | 0.0000 | |
| 44 | N | A | -2.1541 | |
| 45 | N | A | -2.5375 | |
| 46 | A | A | 0.0000 | |
| 47 | A | A | 0.0000 | |
| 48 | A | A | -2.3032 | |
| 49 | N | A | -2.8925 | |
| 50 | A | A | 0.0000 | |
| 51 | R | A | -3.5108 | |
| 52 | R | A | -3.3676 | |
| 53 | S | A | 0.0000 | |
| 54 | V | A | -1.3854 | |
| 55 | A | A | -1.6049 | |
| 56 | D | A | -2.1620 | |
| 57 | P | A | -1.4849 | |
| 58 | A | A | -0.5703 | |
| 59 | A | A | -0.9944 | |
| 60 | H | A | -1.9924 | |
| 61 | G | A | -1.4131 | |
| 62 | M | A | -0.9383 | |
| 63 | D | A | -1.8959 | |
| 64 | A | A | -1.0172 | |
| 65 | S | A | -0.7809 | |
| 66 | A | A | 0.0000 | |
| 67 | N | A | -0.4518 | |
| 68 | N | A | -0.8225 | |
| 69 | A | A | -0.9197 | |
| 70 | Y | A | 0.0000 | |
| 71 | M | A | 0.0000 | |
| 72 | S | A | -0.8950 | |
| 73 | R | A | -1.3499 | |
| 74 | A | A | 0.0000 | |
| 75 | M | A | -1.4703 | |
| 76 | N | A | -2.0485 | |
| 77 | A | A | -1.7927 | |
| 78 | H | A | -2.3302 | |
| 79 | D | A | -2.7354 | |
| 80 | L | A | 0.0000 | |
| 81 | N | A | -2.4944 | |
| 82 | S | A | -1.7106 | |
| 83 | T | A | -1.1517 | |
| 84 | Y | A | -0.9664 | |
| 85 | G | A | -1.8299 | |
| 86 | D | A | -2.1607 | |
| 87 | A | A | 0.0000 | |
| 88 | A | A | 0.0000 | |
| 89 | S | A | -1.0935 | |
| 90 | M | A | -0.3140 | |
| 91 | M | A | 0.0000 | |
| 92 | N | A | -0.8030 | |
| 93 | L | A | 0.5471 | |
| 94 | N | A | -0.5227 | |
| 95 | M | A | -0.3341 | |
| 96 | P | A | -0.7577 | |
| 97 | N | A | -1.1036 | |
| 98 | N | A | 0.0000 | |
| 99 | W | A | -0.7128 | |
| 100 | Q | A | -1.1172 | |
| 101 | M | A | -0.2834 | |
| 102 | F | A | 0.0000 | |
| 103 | L | A | -0.1177 | |
| 104 | S | A | 0.2322 | |
| 105 | Y | A | 0.7359 | |
| 106 | A | A | 0.0000 | |
| 107 | D | A | -2.0307 | |
| 108 | A | A | -1.1750 | |
| 109 | D | A | -2.2176 | |
| 110 | P | A | -1.6802 | |
| 111 | G | A | -1.7176 | |
| 112 | A | A | -1.5164 | |
| 113 | H | A | -1.8518 | |
| 114 | S | A | -1.3310 | |
| 115 | H | A | -1.5959 | |
| 116 | Q | A | -1.7690 | |
| 117 | Y | A | -0.9883 | |
| 118 | D | A | -1.2201 | |
| 119 | H | A | -0.7580 | |
| 120 | S | A | -0.7492 | |
| 121 | S | A | -0.7745 | |
| 122 | F | A | -0.4966 | |
| 123 | M | A | -0.6741 | |
| 124 | Q | A | -1.4799 | |
| 125 | Q | A | -1.4928 | |
| 126 | Y | A | -1.2493 | |
| 127 | S | A | -1.2611 | |
| 128 | S | A | -1.3754 | |
| 129 | D | A | -2.0498 | |
| 130 | S | A | -1.8555 | |
| 131 | Q | A | -2.2157 | |
| 132 | Q | A | -2.0433 | |
| 133 | F | A | 0.0000 | |
| 134 | R | A | -1.6811 | |
| 135 | R | A | -1.5545 | |
| 136 | R | A | -1.5704 | |
| 137 | F | A | 0.0000 | |
| 138 | Y | A | 0.0000 | |
| 139 | Y | A | -0.8425 | |
| 140 | Q | A | -0.9293 | |
| 141 | W | A | 0.0000 | |
| 142 | A | A | 0.0000 | |
| 143 | R | A | -1.1452 | |
| 144 | R | A | -1.6174 | |
| 145 | N | A | -1.2938 | |
| 146 | P | A | 0.0000 | |
| 147 | F | A | 0.0000 | |
| 148 | Y | A | 0.0000 | |
| 149 | Q | A | 0.0000 | |
| 150 | H | A | 0.0000 | |
| 151 | T | A | 0.0000 | |
| 152 | F | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | F | A | 0.0000 | |
| 155 | Y | A | -0.1306 | |
| 156 | F | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | Q | A | -0.7100 | |
| 159 | S | A | -0.4231 | |
| 160 | V | A | 0.0000 | |
| 161 | V | A | -0.8053 | |
| 162 | G | A | -1.0827 | |
| 163 | I | A | -0.7808 | |
| 164 | F | A | 0.0000 | |
| 165 | Q | A | -1.9983 | |
| 166 | Q | A | -1.8815 | |
| 167 | G | A | 0.0000 | |
| 168 | G | A | -1.5055 | |
| 169 | S | A | -1.3479 | |
| 170 | S | A | -1.4699 | |
| 171 | Q | A | -1.7595 | |
| 172 | D | A | -1.6935 | |
| 173 | Y | A | -0.5069 | |
| 174 | Q | A | -0.9539 | |
| 175 | A | A | -0.6569 | |
| 176 | G | A | -0.8387 | |
| 177 | F | A | 0.0000 | |
| 178 | Y | A | 0.1274 | |
| 179 | P | A | -0.5582 | |
| 180 | S | A | -0.5972 | |
| 181 | F | A | 0.0000 | |
| 182 | S | A | -0.8772 | |
| 183 | Q | A | -1.5293 | |
| 184 | L | A | 0.0000 | |
| 185 | Q | A | -1.3287 | |
| 186 | S | A | -1.5055 | |
| 187 | Q | A | -1.5182 | |
| 188 | I | A | 0.0000 | |
| 189 | Q | A | -1.6675 | |
| 190 | Q | A | -1.4997 | |
| 191 | A | A | 0.0000 | |
| 192 | A | A | 0.0000 | |
| 193 | F | A | 0.0000 | |
| 194 | Q | A | -0.5255 | |
| 195 | S | A | 0.0000 | |
| 196 | F | A | -0.1084 | |
| 197 | F | A | 0.0000 | |
| 198 | S | A | 0.0000 | |
| 199 | R | A | -0.6943 | |
| 200 | Y | A | 0.0000 | |
| 201 | F | A | 0.0000 | |
| 202 | I | A | 0.0000 | |
| 203 | Q | A | -1.5415 | |
| 204 | H | A | -1.1338 | |
| 205 | F | A | -0.8907 | |
| 206 | G | A | -1.2661 | |
| 207 | Q | A | -1.7143 | |
| 208 | Q | A | -1.6931 | |
| 209 | Q | A | -1.0409 | |
| 210 | L | A | 0.0000 | |
| 211 | R | A | -0.9739 | |
| 212 | R | A | 0.0000 | |
| 213 | F | A | -0.2158 | |
| 214 | F | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | S | A | 0.0000 | |
| 218 | F | A | 0.0000 | |
| 219 | S | A | 0.0000 | |
| 220 | S | A | -0.7658 | |
| 221 | R | A | -0.7930 | |
| 222 | F | A | 0.0000 | |
| 223 | P | A | 0.0000 | |
| 224 | S | A | -0.9118 | |
| 225 | A | A | 0.0000 | |
| 226 | D | A | -2.1063 | |
| 227 | F | A | -1.4582 | |
| 228 | D | A | -2.0433 | |
| 229 | F | A | -1.0386 | |
| 230 | Y | A | 0.0000 | |
| 231 | M | A | -0.7720 | |
| 232 | S | A | -0.3309 | |
| 233 | F | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | S | A | -0.3325 | |
| 236 | S | A | -0.1549 | |
| 237 | R | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | S | A | -0.0399 | |
| 240 | V | A | 0.0000 | |
| 241 | Y | A | 0.0000 | |
| 242 | V | A | -0.1380 | |
| 243 | F | A | 0.1414 | |
| 244 | A | A | 0.0000 | |
| 245 | S | A | 0.0000 | |
| 246 | N | A | -0.7919 | |
| 247 | G | A | 0.0000 | |
| 248 | N | A | -0.2141 | |
| 249 | Y | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | S | A | 0.0000 | |
| 252 | A | A | 0.0000 | |
| 253 | T | A | 0.0000 | |
| 254 | V | A | 0.1068 | |
| 255 | S | A | 0.0000 | |
| 256 | A | A | 0.0000 | |
| 257 | F | A | 0.0000 | |
| 258 | S | A | -0.3681 | |
| 259 | L | A | 0.0000 | |
| 260 | T | A | 0.0000 | |
| 261 | D | A | -1.2333 | |
| 262 | W | A | -0.6278 | |
| 263 | Y | A | 0.0000 | |
| 264 | G | A | -1.3797 | |
| 265 | N | A | -1.7385 | |
| 266 | N | A | -1.2641 | |
| 267 | Y | A | -1.2857 | |
| 268 | D | A | -2.2359 | |
| 269 | S | A | -1.3973 | |
| 270 | I | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | S | A | -1.4093 | |
| 273 | N | A | -1.7234 | |
| 274 | L | A | -1.2250 | |
| 275 | G | A | -1.3238 | |
| 276 | S | A | -1.1215 | |
| 277 | G | A | -0.9462 | |
| 278 | G | A | -1.0898 | |
| 279 | S | A | -0.9296 | |
| 280 | T | A | -0.8587 | |
| 281 | D | A | -0.9708 | |
| 282 | H | A | -0.8966 | |
| 283 | Y | A | 0.0000 | |
| 284 | S | A | -0.6388 | |
| 285 | R | A | -0.9329 | |
| 286 | Y | A | 0.0000 | |
| 287 | Y | A | -0.2608 | |
| 288 | G | A | -0.6866 | |
| 289 | I | A | 0.0000 | |
| 290 | Y | A | -0.4071 | |
| 291 | N | A | -1.1710 | |
| 292 | V | A | -0.8329 | |
| 293 | P | A | -0.9344 | |
| 294 | T | A | -0.8703 | |
| 295 | D | A | -0.8137 | |
| 296 | S | A | -0.4827 | |
| 297 | V | A | -0.1889 | |
| 298 | P | A | -0.5620 | |
| 299 | T | A | -0.8644 | |
| 300 | D | A | -1.7567 | |
| 301 | V | A | -0.7865 | |
| 302 | S | A | -0.6601 | |
| 303 | P | A | -0.4703 | |
| 304 | Y | A | 0.1348 | |
| 305 | S | A | -0.2905 | |
| 306 | T | A | -0.9811 | |
| 307 | S | A | -0.8739 | |
| 308 | F | A | 0.0000 | |
| 309 | A | A | 0.0000 | |
| 310 | D | A | -2.6248 | |
| 311 | D | A | -1.9118 | |
| 312 | P | A | -1.7987 | |
| 313 | N | A | -2.2200 | |
| 314 | V | A | 0.0000 | |
| 315 | G | A | 0.0000 | |
| 316 | S | A | -2.4548 | |
| 317 | K | A | -3.1525 | |
| 318 | Y | A | 0.0000 | |
| 319 | K | A | -3.6216 | |
| 320 | K | A | -3.6044 | |
| 321 | D | A | -3.1159 | |
| 322 | K | A | -2.7420 | |
| 323 | S | A | -1.5687 | |
| 324 | G | A | -1.2547 | |
| 325 | F | A | -1.5572 | |
| 326 | L | A | 0.0000 | |
| 327 | D | A | 0.0000 | |
| 328 | K | A | -0.8796 | |
| 329 | F | A | 0.0000 | |
| 330 | A | A | 0.0000 | |
| 331 | Y | A | 0.0000 | |
| 332 | S | A | -0.3310 | |
| 333 | Y | A | 0.0000 | |
| 334 | A | A | 0.0000 | |
| 335 | R | A | -0.5849 | |
| 336 | Q | A | -0.6450 | |
| 337 | H | A | -1.0153 | |
| 338 | P | A | -1.5005 | |
| 339 | D | A | -2.6553 | |
| 340 | L | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | N | A | 0.0000 | |
| 343 | P | A | 0.0000 | |
| 344 | Y | A | 0.0000 | |
| 345 | K | A | 0.0000 | |
| 346 | M | A | 0.0000 | |
| 347 | Y | A | 0.0690 | |
| 348 | I | A | 0.0000 | |
| 349 | V | A | 0.0000 | |
| 350 | D | A | -0.8166 | |
| 351 | S | A | 0.0000 | |
| 352 | Y | A | 0.0000 | |
| 353 | E | A | -2.2242 | |
| 354 | K | A | -2.9995 | |
| 355 | I | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | E | A | -3.7351 | |
| 358 | E | A | -3.6495 | |
| 359 | G | A | 0.0000 | |
| 360 | G | A | -3.2320 | |
| 361 | K | A | -3.7579 | |
| 362 | K | A | -3.8352 | |
| 363 | K | A | -3.2963 | |
| 364 | D | A | -2.7017 | |
| 365 | P | A | -2.5064 | |
| 366 | Y | A | -1.4833 | |
| 367 | S | A | -1.0715 | |
| 368 | V | A | -1.2681 | |
| 369 | I | A | 0.0000 | |
| 370 | K | A | -2.1781 | |
| 371 | N | A | -2.6159 | |
| 372 | V | A | 0.0000 | |
| 373 | Y | A | 0.0000 | |
| 374 | E | A | -3.0195 | |
| 375 | K | A | -2.6194 | |
| 376 | L | A | 0.0000 | |
| 377 | K | A | -2.8686 | |
| 378 | K | A | -3.4769 | |
| 379 | Y | A | -2.1758 | |
| 380 | V | A | -2.0913 | |
| 381 | E | A | -3.4438 | |
| 382 | K | A | -3.1596 | |
| 383 | F | A | 0.0000 | |
| 384 | K | A | -2.2367 | |
| 385 | P | A | -2.0172 | |
| 386 | I | A | -1.5594 | |
| 387 | V | A | 0.0000 | |
| 388 | K | A | -2.6698 | |
| 389 | K | A | -2.8425 | |
| 390 | Y | A | 0.0000 | |
| 391 | H | A | -2.8355 | |
| 392 | E | A | -3.3234 | |
| 393 | I | A | 0.0000 | |
| 394 | Y | A | 0.0000 | |
| 395 | K | A | -3.4546 | |
| 396 | K | A | -2.7504 | |
| 397 | Y | A | -1.3215 | |
| 398 | G | A | -2.0093 | |
| 399 | K | A | -2.4517 | |
| 400 | K | A | -1.6209 | |
| 401 | G | A | -1.0695 | |
| 402 | F | A | 0.0000 | |
| 403 | T | A | 0.0000 | |
| 404 | Y | A | 0.0000 | |
| 405 | Y | A | -0.2682 | |
| 406 | Y | A | 0.0000 | |
| 407 | A | A | 0.0000 | |
| 408 | R | A | 0.0000 | |
| 409 | E | A | -0.5295 | |
| 410 | V | A | 0.0000 | |
| 411 | T | A | 0.0000 | |
| 412 | R | A | -1.2498 | |
| 413 | K | A | 0.0000 | |
| 414 | Y | A | 0.0000 | |
| 415 | P | A | 0.0000 | |
| 416 | H | A | -1.1074 | |
| 417 | Y | A | 0.0000 | |
| 418 | P | A | -0.6290 | |
| 419 | T | A | 0.0000 | |
| 420 | D | A | -1.7441 | |
| 421 | V | A | 0.0000 | |
| 422 | Y | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | K | A | -2.2055 | |
| 425 | F | A | 0.0000 | |
| 426 | S | A | 0.0000 | |
| 427 | I | A | -1.3721 | |
| 428 | K | A | -1.4954 | |
| 429 | Y | A | 0.0000 | |
| 430 | G | A | 0.0000 | |
| 431 | E | A | -2.4895 | |
| 432 | Y | A | -1.3981 | |
| 433 | G | A | 0.0000 | |
| 434 | E | A | -2.9087 | |
| 435 | T | A | -1.7239 | |
| 436 | H | A | 0.0000 | |
| 437 | H | A | -2.4755 | |
| 438 | D | A | -2.4236 | |
| 439 | Y | A | -1.7785 | |
| 440 | P | A | -2.1228 | |
| 441 | E | A | -3.2634 | |
| 442 | E | A | -3.5317 | |
| 443 | E | A | -3.1402 | |
| 444 | Q | A | 0.0000 | |
| 445 | Y | A | -1.7007 | |
| 446 | P | A | -1.4006 | |
| 447 | H | A | -1.0653 | |
| 448 | F | A | 0.0000 | |
| 449 | Y | A | 0.0000 | |
| 450 | E | A | -0.8076 | |
| 451 | K | A | -0.7024 | |
| 452 | Y | A | 0.0000 | |
| 453 | Y | A | 0.0000 | |
| 454 | L | A | -0.1540 | |
| 455 | V | A | 0.0000 | |
| 456 | Y | A | 0.0000 | |
| 457 | T | A | 0.0000 | |
| 458 | E | A | -0.1589 | |
| 459 | L | A | 0.0000 | |
| 460 | H | A | 0.0000 | |
| 461 | A | A | 0.0000 | |
| 462 | Y | A | 0.6837 | |
| 463 | S | A | 0.0000 | |
| 464 | Y | A | 1.4016 | |
| 465 | V | A | 1.9302 | |
| 466 | N | A | 0.8502 | |
| 467 | P | A | 0.5829 | |
| 468 | V | A | 0.7141 | |
| 469 | D | A | 0.0000 | |
| 470 | P | A | -0.5600 | |
| 471 | R | A | -0.8326 | |
| 472 | Y | A | 0.0000 | |
| 473 | Y | A | -0.7658 | |
| 474 | K | A | -2.2461 | |
| 475 | I | A | 0.0000 | |
| 476 | C | A | 0.0000 | |
| 477 | T | A | -1.3482 | |
| 478 | E | A | -2.2302 | |
| 479 | S | A | 0.0000 | |
| 480 | P | A | 0.0000 | |
| 481 | Y | A | 0.0000 | |
| 482 | T | A | -0.5047 | |
| 483 | M | A | 0.0000 | |
| 484 | I | A | 0.0000 | |
| 485 | E | A | -0.7620 | |
| 486 | N | A | -1.2250 | |
| 487 | F | A | 0.0000 | |
| 488 | F | A | -0.8056 | |
| 489 | N | A | -1.7395 | |
| 490 | L | A | -1.4835 | |
| 491 | E | A | -2.4597 | |
| 492 | P | A | -2.0885 | |
| 493 | S | A | -2.3786 | |
| 494 | D | A | -3.2797 | |
| 495 | D | A | -3.1277 | |
| 496 | Y | A | 0.0000 | |
| 497 | E | A | -3.1581 | |
| 498 | P | A | -2.2897 | |
| 499 | E | A | -2.5729 | |
| 500 | P | A | -1.5602 | |
| 501 | F | A | -1.2797 | |
| 502 | D | A | -2.3817 | |
| 503 | E | A | -2.6990 | |
| 504 | S | A | -1.9590 | |
| 505 | K | A | -2.2790 | |
| 506 | F | A | 0.0000 | |
| 507 | T | A | -1.3051 | |
| 508 | F | A | 0.0000 | |
| 509 | T | A | -1.2194 | |
| 510 | P | A | -1.7148 | |
| 511 | E | A | -1.6889 | |
| 512 | I | A | 0.0000 | |
| 513 | C | A | -0.8481 | |
| 514 | T | A | -0.6749 | |
| 515 | Y | A | -1.0609 | |
| 516 | P | A | -1.8442 | |
| 517 | K | A | -3.1978 | |
| 518 | E | A | -3.4438 | |
| 519 | E | A | -2.8063 | |
| 520 | Q | A | -2.3148 | |
| 521 | E | A | -2.2436 | |
| 522 | E | A | -2.3836 | |
| 523 | L | A | -0.8606 | |
| 524 | L | A | -0.8542 | |
| 525 | L | A | 0.0000 | |
| 526 | R | A | -1.2498 | |
| 527 | F | A | 0.0000 | |
| 528 | V | A | 0.0000 | |
| 529 | V | A | 0.0000 | |
| 530 | E | A | -1.0223 | |
| 531 | L | A | 0.0000 | |
| 532 | F | A | 0.0000 | |
| 533 | K | A | -1.2895 | |
| 534 | T | A | 0.0000 | |
| 535 | Y | A | -0.8540 | |
| 536 | P | A | 0.0000 | |
| 537 | N | A | -1.5099 | |
| 538 | V | A | 0.0000 | |
| 539 | S | A | -2.1289 | |
| 540 | D | A | -3.1519 | |
| 541 | E | A | -3.4761 | |
| 542 | K | A | -3.0018 | |
| 543 | F | A | 0.0000 | |
| 544 | E | A | -2.9829 | |
| 545 | E | A | -3.2776 | |
| 546 | I | A | 0.0000 | |
| 547 | L | A | -2.0043 | |
| 548 | K | A | -3.3029 | |
| 549 | L | A | -2.4555 | |
| 550 | L | A | 0.0000 | |
| 551 | E | A | -3.9619 | |
| 552 | E | A | -4.0222 | |
| 553 | L | A | 0.0000 | |
| 554 | I | A | 0.0000 | |
| 555 | K | A | -3.5079 | |
| 556 | K | A | -3.1510 | |
| 557 | C | A | 0.0000 | |
| 558 | C | A | -2.1166 | |
| 559 | S | A | -1.7883 | |
| 560 | S | A | -2.4648 | |
| 561 | D | A | -2.9096 | |
| 562 | D | A | -3.1460 | |
| 563 | K | A | -3.3624 | |
| 564 | E | A | -3.4933 | |
| 565 | A | A | -2.6301 | |
| 566 | C | A | -2.6112 | |
| 567 | F | A | 0.0000 | |
| 568 | K | A | -2.9033 | |
| 569 | K | A | -2.5333 | |
| 570 | L | A | -1.1433 | |
| 571 | N | A | 0.0000 | |
| 572 | P | A | -1.1056 | |
| 573 | I | A | -0.2909 | |
| 574 | F | A | 0.0000 | |
| 575 | I | A | 0.0000 | |
| 576 | K | A | -2.4843 | |
| 577 | K | A | -2.3818 | |
| 578 | V | A | 0.0000 | |
| 579 | K | A | -2.4514 | |
| 580 | E | A | -2.9623 | |
| 581 | L | A | -1.9277 | |
| 582 | C | A | -1.3536 | |
| 583 | S | A | -1.1286 |
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 | -0.846 | 2.7859 | View | CSV | PDB |
| 4.5 | -0.92 | 2.7876 | View | CSV | PDB |
| 5.0 | -1.0096 | 2.7925 | View | CSV | PDB |
| 5.5 | -1.0985 | 2.8044 | View | CSV | PDB |
| 6.0 | -1.1695 | 2.8253 | View | CSV | PDB |
| 6.5 | -1.2102 | 2.8491 | View | CSV | PDB |
| 7.0 | -1.2201 | 2.8664 | View | CSV | PDB |
| 7.5 | -1.2087 | 2.8748 | View | CSV | PDB |
| 8.0 | -1.1851 | 2.878 | View | CSV | PDB |
| 8.5 | -1.1515 | 2.8788 | View | CSV | PDB |
| 9.0 | -1.1068 | 2.8786 | 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