| Chain sequence(s) |
A: MILQAHLHSLCLLMLYLATGYGQEGKFSGPLKPMTFSIYEGQEPSQIIFQFKANPPAVTFELTGETDNIFVIEREGLLYYNRALDRETRSTHNLQVAALDANGIIVEGPVPITIKVKDINDNRPTFLQSKYEGSVRQNSRPGKPFLYVNATDLDDPATPNGQLYYQIVIQLPMINNVMYFQINNKTGAISLTREGSQELNPAKNPSYNLVISVKDMGGQSENSFSDTTSVDIIVTENIWKAPKPVEMVENSTDPHPIKITQVRWNDPGAQYSLVDKEKLPRFPFSIDQEGDIYVTQPLDREEKDAYVFYAVAKDEYGKPLSYPLEIHVKVKDINDNPPTCPSPVTVFEVQENERLGNSIGTLTAHDRDEENTANSFLNYRIVEQTPKLPMDGLFLIQTYAGMLQLAKQSLKKQDTPQYNLTIEVSDKDFKTLCFVQINVIDINDQIPIFEKSDYGNLTLAEDTNIGSTILTIQATDADEPFTGSSKILYHIIKGDSEGRLGVDTDPHTNTGYVIIKKPLDFETAAVSNIVFKAENPEPLVFGVKYNASSFAKFTLIVTDVNEAPQFSQHVFQAKVSEDVAIGTKVGNVTAKDPEGLDISYSLRGDTRGWLKIDHVTGEIFSVAPLDREAGSPYRVQVVATEVGGSSLSSVSEFHLILMDVNDNPPRLAKDYTGLFFCHPLSAPGSLIFEATDDDQHLFRGPHFTFSLGSGSLQNDWEVSKINGTHARLSTRHTEFEEREYVVLIRINDGGRPPLEGIVSLPVTFCSCVEGSCFRPAGHQTGIPTVGMAVGILLTTLLVIGIILAVVFIRIKKDKGKDNVESAQASEVKPLRS
B: SAELAEIAASTKAKTAETTAKLQAEAAAQTNPAGKADINATIATVNAATAAQLAELAAKA 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] (00:00:01)
[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 all 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. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:18:22)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/9de849937146ea0/tmp/folded.pdb (00:18:22)
[INFO] Main: Simulation completed successfully. (00:30:49)
|
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 | 2.3018 | |
| 2 | I | A | 2.9483 | |
| 3 | L | A | 2.1153 | |
| 4 | Q | A | 0.2059 | |
| 5 | A | A | 0.0450 | |
| 6 | H | A | -0.6768 | |
| 7 | L | A | 0.5869 | |
| 8 | H | A | -0.0662 | |
| 9 | S | A | 0.8140 | |
| 10 | L | A | 2.4193 | |
| 11 | C | A | 2.6611 | |
| 12 | L | A | 3.6637 | |
| 13 | L | A | 3.9356 | |
| 14 | M | A | 3.7918 | |
| 15 | L | A | 3.9076 | |
| 16 | Y | A | 3.3731 | |
| 17 | L | A | 2.8677 | |
| 18 | A | A | 1.4814 | |
| 19 | T | A | 0.9944 | |
| 20 | G | A | 0.5220 | |
| 21 | Y | A | 0.0943 | |
| 22 | G | A | 0.0000 | |
| 23 | Q | A | -2.1111 | |
| 24 | E | A | -2.8585 | |
| 25 | G | A | -1.9614 | |
| 26 | K | A | -2.2712 | |
| 27 | F | A | -0.5246 | |
| 28 | S | A | -1.1168 | |
| 29 | G | A | -1.4706 | |
| 30 | P | A | -1.4348 | |
| 31 | L | A | -1.4894 | |
| 32 | K | A | -1.5019 | |
| 33 | P | A | -0.9510 | |
| 34 | M | A | -0.5612 | |
| 35 | T | A | -0.5769 | |
| 36 | F | A | 0.0000 | |
| 37 | S | A | -0.1863 | |
| 38 | I | A | 0.0000 | |
| 39 | Y | A | 0.3485 | |
| 40 | E | A | 0.0000 | |
| 41 | G | A | -1.7213 | |
| 42 | Q | A | -1.8342 | |
| 43 | E | A | -2.6695 | |
| 44 | P | A | -2.1520 | |
| 45 | S | A | -1.1814 | |
| 46 | Q | A | -0.5822 | |
| 47 | I | A | 0.8827 | |
| 48 | I | A | 0.0000 | |
| 49 | F | A | 0.0000 | |
| 50 | Q | A | -0.9849 | |
| 51 | F | A | 0.0000 | |
| 52 | K | A | -2.2714 | |
| 53 | A | A | -1.6537 | |
| 54 | N | A | -1.6755 | |
| 55 | P | A | -0.7089 | |
| 56 | P | A | -0.3184 | |
| 57 | A | A | 0.0962 | |
| 58 | V | A | 0.4759 | |
| 59 | T | A | -0.6761 | |
| 60 | F | A | 0.0000 | |
| 61 | E | A | -1.5286 | |
| 62 | L | A | -0.8717 | |
| 63 | T | A | -1.1452 | |
| 64 | G | A | -1.6047 | |
| 65 | E | A | -2.1258 | |
| 66 | T | A | -1.7989 | |
| 67 | D | A | -2.7873 | |
| 68 | N | A | -2.3680 | |
| 69 | I | A | -1.7099 | |
| 70 | F | A | 0.0000 | |
| 71 | V | A | -0.1136 | |
| 72 | I | A | 0.0000 | |
| 73 | E | A | -1.9600 | |
| 74 | R | A | -2.4960 | |
| 75 | E | A | -2.8007 | |
| 76 | G | A | 0.0000 | |
| 77 | L | A | -0.7090 | |
| 78 | L | A | 0.0000 | |
| 79 | Y | A | 0.1643 | |
| 80 | Y | A | 0.0000 | |
| 81 | N | A | -1.7968 | |
| 82 | R | A | -3.1621 | |
| 83 | A | A | -2.0115 | |
| 84 | L | A | 0.0000 | |
| 85 | D | A | -2.3557 | |
| 86 | R | A | -1.9401 | |
| 87 | E | A | -2.2212 | |
| 88 | T | A | -1.5719 | |
| 89 | R | A | -1.9733 | |
| 90 | S | A | -1.4625 | |
| 91 | T | A | -1.1880 | |
| 92 | H | A | 0.0000 | |
| 93 | N | A | -1.9099 | |
| 94 | L | A | 0.0000 | |
| 95 | Q | A | -1.5177 | |
| 96 | V | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | A | A | 0.0000 | |
| 99 | L | A | 0.9032 | |
| 100 | D | A | 0.7082 | |
| 101 | A | A | 0.1928 | |
| 102 | N | A | -0.4967 | |
| 103 | G | A | 0.4574 | |
| 104 | I | A | 2.1346 | |
| 105 | I | A | 1.9043 | |
| 106 | V | A | 1.2339 | |
| 107 | E | A | -0.7222 | |
| 108 | G | A | -0.8640 | |
| 109 | P | A | -0.7204 | |
| 110 | V | A | -0.8928 | |
| 111 | P | A | -1.1144 | |
| 112 | I | A | 0.0000 | |
| 113 | T | A | -0.9200 | |
| 114 | I | A | 0.0000 | |
| 115 | K | A | -0.9983 | |
| 116 | V | A | 0.0000 | |
| 117 | K | A | -0.6086 | |
| 118 | D | A | 0.0000 | |
| 119 | I | A | -0.4407 | |
| 120 | N | A | -1.1948 | |
| 121 | D | A | -2.3205 | |
| 122 | N | A | -1.5760 | |
| 123 | R | A | -1.4544 | |
| 124 | P | A | 0.0000 | |
| 125 | T | A | -0.2970 | |
| 126 | F | A | 0.0000 | |
| 127 | L | A | 0.4964 | |
| 128 | Q | A | -1.1719 | |
| 129 | S | A | -1.2161 | |
| 130 | K | A | -2.2800 | |
| 131 | Y | A | -1.8136 | |
| 132 | E | A | -2.0570 | |
| 133 | G | A | -0.5730 | |
| 134 | S | A | -0.1966 | |
| 135 | V | A | 0.0000 | |
| 136 | R | A | -1.4548 | |
| 137 | Q | A | 0.0000 | |
| 138 | N | A | -2.2781 | |
| 139 | S | A | -1.8276 | |
| 140 | R | A | -2.6992 | |
| 141 | P | A | -2.3746 | |
| 142 | G | A | -1.5733 | |
| 143 | K | A | -1.1382 | |
| 144 | P | A | -0.5047 | |
| 145 | F | A | 0.1307 | |
| 146 | L | A | 0.1873 | |
| 147 | Y | A | 0.3456 | |
| 148 | V | A | 0.0000 | |
| 149 | N | A | -0.4078 | |
| 150 | A | A | -0.1676 | |
| 151 | T | A | -0.0218 | |
| 152 | D | A | -0.3412 | |
| 153 | L | A | -0.0667 | |
| 154 | D | A | 0.0000 | |
| 155 | D | A | -0.8180 | |
| 156 | P | A | -0.5966 | |
| 157 | A | A | -0.4331 | |
| 158 | T | A | -0.5542 | |
| 159 | P | A | -0.7550 | |
| 160 | N | A | 0.0000 | |
| 161 | G | A | -0.7050 | |
| 162 | Q | A | -1.2979 | |
| 163 | L | A | -0.9387 | |
| 164 | Y | A | -1.0960 | |
| 165 | Y | A | 0.0000 | |
| 166 | Q | A | -0.6839 | |
| 167 | I | A | 0.0716 | |
| 168 | V | A | 0.3604 | |
| 169 | I | A | 0.0000 | |
| 170 | Q | A | 0.0000 | |
| 171 | L | A | 0.0000 | |
| 172 | P | A | 0.0000 | |
| 173 | M | A | 0.0000 | |
| 174 | I | A | -0.7002 | |
| 175 | N | A | -1.7369 | |
| 176 | N | A | -1.5690 | |
| 177 | V | A | -0.7539 | |
| 178 | M | A | -0.4602 | |
| 179 | Y | A | 0.0000 | |
| 180 | F | A | 0.0000 | |
| 181 | Q | A | -0.9258 | |
| 182 | I | A | -0.8517 | |
| 183 | N | A | -1.6767 | |
| 184 | N | A | -1.8697 | |
| 185 | K | A | -2.3113 | |
| 186 | T | A | -1.2183 | |
| 187 | G | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | I | A | 0.0000 | |
| 190 | S | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | T | A | -2.1016 | |
| 193 | R | A | -3.3792 | |
| 194 | E | A | -2.9241 | |
| 195 | G | A | 0.0000 | |
| 196 | S | A | 0.0000 | |
| 197 | Q | A | -3.2723 | |
| 198 | E | A | -3.2063 | |
| 199 | L | A | 0.0000 | |
| 200 | N | A | -2.0755 | |
| 201 | P | A | -1.3832 | |
| 202 | A | A | -1.2340 | |
| 203 | K | A | -2.2492 | |
| 204 | N | A | -0.8996 | |
| 205 | P | A | -0.4693 | |
| 206 | S | A | -0.0615 | |
| 207 | Y | A | 0.0000 | |
| 208 | N | A | -0.3819 | |
| 209 | L | A | 0.0000 | |
| 210 | V | A | 0.0000 | |
| 211 | I | A | 0.0000 | |
| 212 | S | A | 0.0000 | |
| 213 | V | A | 0.0000 | |
| 214 | K | A | -0.9276 | |
| 215 | D | A | 0.0000 | |
| 216 | M | A | -1.0145 | |
| 217 | G | A | -1.0526 | |
| 218 | G | A | -1.3089 | |
| 219 | Q | A | -1.7856 | |
| 220 | S | A | -1.8426 | |
| 221 | E | A | -2.9222 | |
| 222 | N | A | -2.1357 | |
| 223 | S | A | 0.0000 | |
| 224 | F | A | 0.0000 | |
| 225 | S | A | 0.0000 | |
| 226 | D | A | -0.5364 | |
| 227 | T | A | -0.4427 | |
| 228 | T | A | 0.0000 | |
| 229 | S | A | -1.2055 | |
| 230 | V | A | 0.0000 | |
| 231 | D | A | -1.2818 | |
| 232 | I | A | 0.0000 | |
| 233 | I | A | 0.5608 | |
| 234 | V | A | 0.0000 | |
| 235 | T | A | -0.8483 | |
| 236 | E | A | -1.6209 | |
| 237 | N | A | 0.0000 | |
| 238 | I | A | 0.5902 | |
| 239 | W | A | 0.0000 | |
| 240 | K | A | -0.9255 | |
| 241 | A | A | -1.1837 | |
| 242 | P | A | -1.6351 | |
| 243 | K | A | -2.4055 | |
| 244 | P | A | -1.7422 | |
| 245 | V | A | -1.5506 | |
| 246 | E | A | -2.2104 | |
| 247 | M | A | -0.8238 | |
| 248 | V | A | 0.1571 | |
| 249 | E | A | 0.0000 | |
| 250 | N | A | -1.3309 | |
| 251 | S | A | -0.9023 | |
| 252 | T | A | -1.2136 | |
| 253 | D | A | -2.1736 | |
| 254 | P | A | -1.3390 | |
| 255 | H | A | -1.2018 | |
| 256 | P | A | -0.9141 | |
| 257 | I | A | -0.7579 | |
| 258 | K | A | -1.1761 | |
| 259 | I | A | -0.6524 | |
| 260 | T | A | 0.0000 | |
| 261 | Q | A | -1.7403 | |
| 262 | V | A | 0.0000 | |
| 263 | R | A | -1.0214 | |
| 264 | W | A | -0.7716 | |
| 265 | N | A | -0.9042 | |
| 266 | D | A | -1.6538 | |
| 267 | P | A | -1.6582 | |
| 268 | G | A | -2.0314 | |
| 269 | A | A | -2.2522 | |
| 270 | Q | A | -2.5329 | |
| 271 | Y | A | -1.3964 | |
| 272 | S | A | -0.2710 | |
| 273 | L | A | 0.2477 | |
| 274 | V | A | -0.3230 | |
| 275 | D | A | -1.7171 | |
| 276 | K | A | -2.8641 | |
| 277 | E | A | -3.2193 | |
| 278 | K | A | -3.2889 | |
| 279 | L | A | -2.0767 | |
| 280 | P | A | -1.5387 | |
| 281 | R | A | -1.9310 | |
| 282 | F | A | -0.9711 | |
| 283 | P | A | 0.0000 | |
| 284 | F | A | 0.0000 | |
| 285 | S | A | -0.0414 | |
| 286 | I | A | -0.9024 | |
| 287 | D | A | -1.7137 | |
| 288 | Q | A | -2.6122 | |
| 289 | E | A | -2.8958 | |
| 290 | G | A | 0.0000 | |
| 291 | D | A | -1.6359 | |
| 292 | I | A | 0.0000 | |
| 293 | Y | A | -0.5095 | |
| 294 | V | A | 0.0000 | |
| 295 | T | A | -0.5979 | |
| 296 | Q | A | -1.2185 | |
| 297 | P | A | -1.1470 | |
| 298 | L | A | 0.0000 | |
| 299 | D | A | -2.7527 | |
| 300 | R | A | 0.0000 | |
| 301 | E | A | -3.4787 | |
| 302 | E | A | -3.3126 | |
| 303 | K | A | -2.6914 | |
| 304 | D | A | -2.8744 | |
| 305 | A | A | -1.5250 | |
| 306 | Y | A | 0.0000 | |
| 307 | V | A | -0.0402 | |
| 308 | F | A | 0.0000 | |
| 309 | Y | A | 0.0209 | |
| 310 | A | A | 0.0000 | |
| 311 | V | A | 0.0000 | |
| 312 | A | A | 0.0000 | |
| 313 | K | A | -1.8091 | |
| 314 | D | A | -1.9026 | |
| 315 | E | A | -2.2004 | |
| 316 | Y | A | -0.5985 | |
| 317 | G | A | -1.5619 | |
| 318 | K | A | -2.1857 | |
| 319 | P | A | -1.1724 | |
| 320 | L | A | -0.3278 | |
| 321 | S | A | -0.0063 | |
| 322 | Y | A | 0.6321 | |
| 323 | P | A | 0.2112 | |
| 324 | L | A | 0.0000 | |
| 325 | E | A | -0.9097 | |
| 326 | I | A | 0.0000 | |
| 327 | H | A | -1.1396 | |
| 328 | V | A | 0.0000 | |
| 329 | K | A | -1.9339 | |
| 330 | V | A | 0.0000 | |
| 331 | K | A | -1.5380 | |
| 332 | D | A | -1.3777 | |
| 333 | I | A | -0.1360 | |
| 334 | N | A | -1.0580 | |
| 335 | D | A | -1.4496 | |
| 336 | N | A | -1.2823 | |
| 337 | P | A | -1.4057 | |
| 338 | P | A | 0.0000 | |
| 339 | T | A | -0.6595 | |
| 340 | C | A | 0.2897 | |
| 341 | P | A | -0.1213 | |
| 342 | S | A | 0.4604 | |
| 343 | P | A | 0.8264 | |
| 344 | V | A | 1.6394 | |
| 345 | T | A | 1.4314 | |
| 346 | V | A | 1.5751 | |
| 347 | F | A | 0.7532 | |
| 348 | E | A | -0.4223 | |
| 349 | V | A | 0.0000 | |
| 350 | Q | A | 0.0000 | |
| 351 | E | A | -2.1516 | |
| 352 | N | A | -1.8810 | |
| 353 | E | A | -1.7156 | |
| 354 | R | A | -2.0929 | |
| 355 | L | A | -0.4016 | |
| 356 | G | A | -0.5214 | |
| 357 | N | A | -0.7470 | |
| 358 | S | A | -0.3360 | |
| 359 | I | A | -0.1222 | |
| 360 | G | A | 0.1285 | |
| 361 | T | A | -0.0418 | |
| 362 | L | A | 0.0000 | |
| 363 | T | A | -0.2062 | |
| 364 | A | A | 0.0000 | |
| 365 | H | A | -1.1606 | |
| 366 | D | A | -1.4101 | |
| 367 | R | A | -2.1362 | |
| 368 | D | A | 0.0000 | |
| 369 | E | A | -2.3741 | |
| 370 | E | A | -2.6473 | |
| 371 | N | A | -1.8898 | |
| 372 | T | A | -0.8904 | |
| 373 | A | A | -0.4449 | |
| 374 | N | A | -1.0558 | |
| 375 | S | A | -0.8623 | |
| 376 | F | A | 0.8551 | |
| 377 | L | A | 0.0000 | |
| 378 | N | A | -0.5979 | |
| 379 | Y | A | 0.0000 | |
| 380 | R | A | -1.6453 | |
| 381 | I | A | -0.4270 | |
| 382 | V | A | -0.1647 | |
| 383 | E | A | -1.9676 | |
| 384 | Q | A | 0.0000 | |
| 385 | T | A | -1.6670 | |
| 386 | P | A | -1.4091 | |
| 387 | K | A | -1.9565 | |
| 388 | L | A | -0.1294 | |
| 389 | P | A | -0.3059 | |
| 390 | M | A | -0.6314 | |
| 391 | D | A | -1.8275 | |
| 392 | G | A | -1.0016 | |
| 393 | L | A | 0.0000 | |
| 394 | F | A | 0.0000 | |
| 395 | L | A | 0.0628 | |
| 396 | I | A | -0.0677 | |
| 397 | Q | A | -0.3544 | |
| 398 | T | A | -0.1197 | |
| 399 | Y | A | 1.1190 | |
| 400 | A | A | 0.4706 | |
| 401 | G | A | 0.0000 | |
| 402 | M | A | 0.2506 | |
| 403 | L | A | 0.0000 | |
| 404 | Q | A | -0.2884 | |
| 405 | L | A | 0.0000 | |
| 406 | A | A | -0.5205 | |
| 407 | K | A | -1.4341 | |
| 408 | Q | A | -1.5156 | |
| 409 | S | A | -1.6128 | |
| 410 | L | A | 0.0000 | |
| 411 | K | A | -2.6316 | |
| 412 | K | A | -2.3767 | |
| 413 | Q | A | -2.1894 | |
| 414 | D | A | -1.7825 | |
| 415 | T | A | 0.0000 | |
| 416 | P | A | -1.8237 | |
| 417 | Q | A | -2.0563 | |
| 418 | Y | A | 0.0000 | |
| 419 | N | A | -1.5598 | |
| 420 | L | A | 0.0000 | |
| 421 | T | A | -0.0283 | |
| 422 | I | A | 0.0000 | |
| 423 | E | A | -0.9788 | |
| 424 | V | A | 0.0000 | |
| 425 | S | A | -1.4329 | |
| 426 | D | A | 0.0000 | |
| 427 | K | A | -2.2157 | |
| 428 | D | A | -2.4308 | |
| 429 | F | A | -1.6306 | |
| 430 | K | A | -1.9618 | |
| 431 | T | A | -0.3151 | |
| 432 | L | A | 0.9578 | |
| 433 | C | A | 0.0000 | |
| 434 | F | A | 1.6979 | |
| 435 | V | A | 0.0000 | |
| 436 | Q | A | 0.0929 | |
| 437 | I | A | 0.0000 | |
| 438 | N | A | -0.8474 | |
| 439 | V | A | 0.0000 | |
| 440 | I | A | 0.0000 | |
| 441 | D | A | -1.8932 | |
| 442 | I | A | -0.9245 | |
| 443 | N | A | 0.0000 | |
| 444 | D | A | -0.8496 | |
| 445 | Q | A | -0.8815 | |
| 446 | I | A | -0.5299 | |
| 447 | P | A | 0.0000 | |
| 448 | I | A | -0.1685 | |
| 449 | F | A | 0.0000 | |
| 450 | E | A | -2.7827 | |
| 451 | K | A | -3.3185 | |
| 452 | S | A | -2.4623 | |
| 453 | D | A | -3.2803 | |
| 454 | Y | A | -2.0098 | |
| 455 | G | A | -1.6810 | |
| 456 | N | A | -1.4298 | |
| 457 | L | A | 0.1483 | |
| 458 | T | A | 0.3600 | |
| 459 | L | A | -0.0001 | |
| 460 | A | A | -0.8774 | |
| 461 | E | A | -1.7054 | |
| 462 | D | A | -2.2877 | |
| 463 | T | A | -1.2414 | |
| 464 | N | A | -1.3522 | |
| 465 | I | A | -0.0245 | |
| 466 | G | A | -0.4662 | |
| 467 | S | A | -0.0812 | |
| 468 | T | A | -0.0378 | |
| 469 | I | A | 0.4616 | |
| 470 | L | A | 0.5696 | |
| 471 | T | A | 0.1070 | |
| 472 | I | A | 0.0000 | |
| 473 | Q | A | -0.9688 | |
| 474 | A | A | 0.0000 | |
| 475 | T | A | -0.5604 | |
| 476 | D | A | -0.6823 | |
| 477 | A | A | -0.5974 | |
| 478 | D | A | -0.9571 | |
| 479 | E | A | -0.8193 | |
| 480 | P | A | -0.0197 | |
| 481 | F | A | 1.1434 | |
| 482 | T | A | 0.0000 | |
| 483 | G | A | 0.0000 | |
| 484 | S | A | 0.0000 | |
| 485 | S | A | 0.0000 | |
| 486 | K | A | -1.1927 | |
| 487 | I | A | 0.0000 | |
| 488 | L | A | -0.4078 | |
| 489 | Y | A | 0.0000 | |
| 490 | H | A | -0.2074 | |
| 491 | I | A | -0.0724 | |
| 492 | I | A | 0.2118 | |
| 493 | K | A | -1.8697 | |
| 494 | G | A | -1.7235 | |
| 495 | D | A | -1.6699 | |
| 496 | S | A | -1.5607 | |
| 497 | E | A | -2.4214 | |
| 498 | G | A | -1.9656 | |
| 499 | R | A | -1.9539 | |
| 500 | L | A | 0.0000 | |
| 501 | G | A | -0.9695 | |
| 502 | V | A | -0.5696 | |
| 503 | D | A | -1.6031 | |
| 504 | T | A | -1.2666 | |
| 505 | D | A | -1.3845 | |
| 506 | P | A | -1.1229 | |
| 507 | H | A | -1.1725 | |
| 508 | T | A | -0.8654 | |
| 509 | N | A | -1.1855 | |
| 510 | T | A | -0.6796 | |
| 511 | G | A | 0.0000 | |
| 512 | Y | A | -0.0594 | |
| 513 | V | A | 0.0000 | |
| 514 | I | A | -0.4011 | |
| 515 | I | A | 0.0000 | |
| 516 | K | A | -2.1108 | |
| 517 | K | A | -2.3839 | |
| 518 | P | A | -1.5566 | |
| 519 | L | A | 0.0000 | |
| 520 | D | A | -1.2867 | |
| 521 | F | A | -0.8244 | |
| 522 | E | A | -1.9856 | |
| 523 | T | A | -0.7901 | |
| 524 | A | A | -0.2179 | |
| 525 | A | A | 0.4650 | |
| 526 | V | A | 1.4503 | |
| 527 | S | A | -0.1799 | |
| 528 | N | A | -1.7805 | |
| 529 | I | A | 0.0000 | |
| 530 | V | A | 0.0000 | |
| 531 | F | A | 0.0000 | |
| 532 | K | A | -0.3048 | |
| 533 | A | A | 0.0000 | |
| 534 | E | A | -0.3970 | |
| 535 | N | A | 0.0000 | |
| 536 | P | A | -0.5524 | |
| 537 | E | A | -0.5151 | |
| 538 | P | A | -0.1585 | |
| 539 | L | A | 0.1804 | |
| 540 | V | A | 0.6682 | |
| 541 | F | A | 1.5705 | |
| 542 | G | A | 0.3567 | |
| 543 | V | A | -0.1196 | |
| 544 | K | A | -1.4783 | |
| 545 | Y | A | -0.9714 | |
| 546 | N | A | -1.1479 | |
| 547 | A | A | -0.2558 | |
| 548 | S | A | -0.4760 | |
| 549 | S | A | 0.0000 | |
| 550 | F | A | -0.4160 | |
| 551 | A | A | 0.0000 | |
| 552 | K | A | -3.0192 | |
| 553 | F | A | 0.0000 | |
| 554 | T | A | -1.0209 | |
| 555 | L | A | 0.0000 | |
| 556 | I | A | 0.8864 | |
| 557 | V | A | 0.0000 | |
| 558 | T | A | -0.7417 | |
| 559 | D | A | -2.2863 | |
| 560 | V | A | -1.3426 | |
| 561 | N | A | -1.6430 | |
| 562 | E | A | -2.1589 | |
| 563 | A | A | -1.0811 | |
| 564 | P | A | 0.0000 | |
| 565 | Q | A | -1.9342 | |
| 566 | F | A | -1.1577 | |
| 567 | S | A | -1.3370 | |
| 568 | Q | A | -1.7341 | |
| 569 | H | A | -1.2377 | |
| 570 | V | A | -0.4417 | |
| 571 | F | A | -1.1066 | |
| 572 | Q | A | -1.8481 | |
| 573 | A | A | -1.4771 | |
| 574 | K | A | -1.7041 | |
| 575 | V | A | -0.9963 | |
| 576 | S | A | -0.9618 | |
| 577 | E | A | -1.9450 | |
| 578 | D | A | -2.0145 | |
| 579 | V | A | -0.4581 | |
| 580 | A | A | 0.5230 | |
| 581 | I | A | 1.8616 | |
| 582 | G | A | 0.4843 | |
| 583 | T | A | 0.0407 | |
| 584 | K | A | -1.5353 | |
| 585 | V | A | 0.0000 | |
| 586 | G | A | 0.0000 | |
| 587 | N | A | -1.9039 | |
| 588 | V | A | 0.0000 | |
| 589 | T | A | -1.0961 | |
| 590 | A | A | 0.0000 | |
| 591 | K | A | -2.4135 | |
| 592 | D | A | 0.0000 | |
| 593 | P | A | -1.9675 | |
| 594 | E | A | -2.1137 | |
| 595 | G | A | -1.5421 | |
| 596 | L | A | -0.8859 | |
| 597 | D | A | -1.2634 | |
| 598 | I | A | 0.0000 | |
| 599 | S | A | 0.0597 | |
| 600 | Y | A | 0.0000 | |
| 601 | S | A | -0.5729 | |
| 602 | L | A | -1.0494 | |
| 603 | R | A | -1.8346 | |
| 604 | G | A | -1.8214 | |
| 605 | D | A | -1.8692 | |
| 606 | T | A | -1.2770 | |
| 607 | R | A | -1.1789 | |
| 608 | G | A | -0.9153 | |
| 609 | W | A | 0.0000 | |
| 610 | L | A | 0.0000 | |
| 611 | K | A | -1.4748 | |
| 612 | I | A | 0.0000 | |
| 613 | D | A | -0.9569 | |
| 614 | H | A | -0.6295 | |
| 615 | V | A | 0.7379 | |
| 616 | T | A | -0.0091 | |
| 617 | G | A | 0.0000 | |
| 618 | E | A | -1.6086 | |
| 619 | I | A | 0.0000 | |
| 620 | F | A | -0.5415 | |
| 621 | S | A | 0.0000 | |
| 622 | V | A | 1.2603 | |
| 623 | A | A | 0.6684 | |
| 624 | P | A | -0.1216 | |
| 625 | L | A | 0.0000 | |
| 626 | D | A | -2.3104 | |
| 627 | R | A | -2.0698 | |
| 628 | E | A | -2.7986 | |
| 629 | A | A | -1.3912 | |
| 630 | G | A | -1.2787 | |
| 631 | S | A | -1.0900 | |
| 632 | P | A | -1.0554 | |
| 633 | Y | A | 0.0000 | |
| 634 | R | A | -2.4701 | |
| 635 | V | A | 0.0000 | |
| 636 | Q | A | -1.0559 | |
| 637 | V | A | 0.0000 | |
| 638 | V | A | 0.0173 | |
| 639 | A | A | 0.0000 | |
| 640 | T | A | 0.0071 | |
| 641 | E | A | 0.0000 | |
| 642 | V | A | 0.7249 | |
| 643 | G | A | -0.1831 | |
| 644 | G | A | -0.5695 | |
| 645 | S | A | -0.5304 | |
| 646 | S | A | -0.1509 | |
| 647 | L | A | 0.0127 | |
| 648 | S | A | 0.0528 | |
| 649 | S | A | 0.0807 | |
| 650 | V | A | 0.3353 | |
| 651 | S | A | 0.0000 | |
| 652 | E | A | -0.9280 | |
| 653 | F | A | 0.0000 | |
| 654 | H | A | -1.4813 | |
| 655 | L | A | 0.0000 | |
| 656 | I | A | -0.9142 | |
| 657 | L | A | 0.0000 | |
| 658 | M | A | -0.7103 | |
| 659 | D | A | -1.8151 | |
| 660 | V | A | -1.8501 | |
| 661 | N | A | -2.4908 | |
| 662 | D | A | -2.9839 | |
| 663 | N | A | -2.4073 | |
| 664 | P | A | -1.6480 | |
| 665 | P | A | 0.0000 | |
| 666 | R | A | -1.9617 | |
| 667 | L | A | -1.3128 | |
| 668 | A | A | -1.6343 | |
| 669 | K | A | -2.7692 | |
| 670 | D | A | -2.7109 | |
| 671 | Y | A | -1.3428 | |
| 672 | T | A | -0.8260 | |
| 673 | G | A | -0.3778 | |
| 674 | L | A | 0.3355 | |
| 675 | F | A | 0.2377 | |
| 676 | F | A | 0.0000 | |
| 677 | C | A | 0.2755 | |
| 678 | H | A | -1.3839 | |
| 679 | P | A | -1.2420 | |
| 680 | L | A | -0.9323 | |
| 681 | S | A | -0.4705 | |
| 682 | A | A | -0.5668 | |
| 683 | P | A | -0.9275 | |
| 684 | G | A | -0.4497 | |
| 685 | S | A | -0.2299 | |
| 686 | L | A | 0.6872 | |
| 687 | I | A | 1.0551 | |
| 688 | F | A | 0.0000 | |
| 689 | E | A | -0.9424 | |
| 690 | A | A | 0.0000 | |
| 691 | T | A | -1.1098 | |
| 692 | D | A | 0.0000 | |
| 693 | D | A | -2.1799 | |
| 694 | D | A | 0.0000 | |
| 695 | Q | A | -1.4873 | |
| 696 | H | A | -0.4138 | |
| 697 | L | A | 1.3599 | |
| 698 | F | A | 1.5367 | |
| 699 | R | A | -0.1292 | |
| 700 | G | A | -0.1395 | |
| 701 | P | A | -0.6625 | |
| 702 | H | A | -1.2707 | |
| 703 | F | A | 0.0000 | |
| 704 | T | A | -1.3036 | |
| 705 | F | A | 0.0000 | |
| 706 | S | A | -0.7706 | |
| 707 | L | A | 0.0000 | |
| 708 | G | A | -0.1213 | |
| 709 | S | A | -0.4693 | |
| 710 | G | A | -1.1827 | |
| 711 | S | A | -1.1393 | |
| 712 | L | A | -1.0997 | |
| 713 | Q | A | -2.5323 | |
| 714 | N | A | -2.6075 | |
| 715 | D | A | -2.3340 | |
| 716 | W | A | 0.0000 | |
| 717 | E | A | -2.0361 | |
| 718 | V | A | -0.9456 | |
| 719 | S | A | -1.0058 | |
| 720 | K | A | -1.2819 | |
| 721 | I | A | 0.2157 | |
| 722 | N | A | -0.9967 | |
| 723 | G | A | -1.1239 | |
| 724 | T | A | -0.7996 | |
| 725 | H | A | -0.6811 | |
| 726 | A | A | 0.0000 | |
| 727 | R | A | -0.8131 | |
| 728 | L | A | 0.0000 | |
| 729 | S | A | 0.0000 | |
| 730 | T | A | 0.0000 | |
| 731 | R | A | -2.6542 | |
| 732 | H | A | -1.8033 | |
| 733 | T | A | -1.7000 | |
| 734 | E | A | -2.8054 | |
| 735 | F | A | 0.0000 | |
| 736 | E | A | -3.9128 | |
| 737 | E | A | -4.0897 | |
| 738 | R | A | -3.6800 | |
| 739 | E | A | -2.5287 | |
| 740 | Y | A | -0.5888 | |
| 741 | V | A | 1.2908 | |
| 742 | V | A | 0.0000 | |
| 743 | L | A | 1.0922 | |
| 744 | I | A | 0.0000 | |
| 745 | R | A | -0.7297 | |
| 746 | I | A | 0.0000 | |
| 747 | N | A | -1.4532 | |
| 748 | D | A | 0.0000 | |
| 749 | G | A | -1.5129 | |
| 750 | G | A | -1.8413 | |
| 751 | R | A | -2.3776 | |
| 752 | P | A | -1.9573 | |
| 753 | P | A | -1.8777 | |
| 754 | L | A | -1.8226 | |
| 755 | E | A | -1.9758 | |
| 756 | G | A | -0.6568 | |
| 757 | I | A | 1.0318 | |
| 758 | V | A | 0.6808 | |
| 759 | S | A | 0.5842 | |
| 760 | L | A | 0.0000 | |
| 761 | P | A | 0.1962 | |
| 762 | V | A | 0.0000 | |
| 763 | T | A | 0.0000 | |
| 764 | F | A | 0.0000 | |
| 765 | C | A | 0.0000 | |
| 766 | S | A | -0.1783 | |
| 767 | C | A | 0.4148 | |
| 768 | V | A | 0.4835 | |
| 769 | E | A | -1.2593 | |
| 770 | G | A | -0.7015 | |
| 771 | S | A | -0.1620 | |
| 772 | C | A | 0.3281 | |
| 773 | F | A | 0.6547 | |
| 774 | R | A | -1.1519 | |
| 775 | P | A | -0.9860 | |
| 776 | A | A | -1.0730 | |
| 777 | G | A | -1.7150 | |
| 778 | H | A | -1.6560 | |
| 779 | Q | A | -1.3865 | |
| 780 | T | A | -0.7249 | |
| 781 | G | A | -0.1421 | |
| 782 | I | A | 1.5479 | |
| 783 | P | A | 1.4798 | |
| 784 | T | A | 1.5128 | |
| 785 | V | A | 2.5443 | |
| 786 | G | A | 1.6932 | |
| 787 | M | A | 2.6192 | |
| 788 | A | A | 2.8625 | |
| 789 | V | A | 3.1465 | |
| 790 | G | A | 2.8389 | |
| 791 | I | A | 3.9037 | |
| 792 | L | A | 4.2429 | |
| 793 | L | A | 4.3965 | |
| 794 | T | A | 3.5742 | |
| 795 | T | A | 3.7436 | |
| 796 | L | A | 4.6649 | |
| 797 | L | A | 4.8058 | |
| 798 | V | A | 4.5577 | |
| 799 | I | A | 4.3838 | |
| 800 | G | A | 3.6840 | |
| 801 | I | A | 4.5394 | |
| 802 | I | A | 4.7159 | |
| 803 | L | A | 3.7590 | |
| 804 | A | A | 3.4203 | |
| 805 | V | A | 3.3831 | |
| 806 | V | A | 2.8537 | |
| 807 | F | A | 3.1095 | |
| 808 | I | A | 1.4423 | |
| 809 | R | A | -1.1837 | |
| 810 | I | A | -0.5474 | |
| 811 | K | A | -2.6128 | |
| 812 | K | A | -4.1461 | |
| 813 | D | A | -5.0099 | |
| 814 | K | A | -5.0150 | |
| 815 | G | A | -4.2326 | |
| 816 | K | A | -4.6052 | |
| 817 | D | A | -4.2742 | |
| 818 | N | A | -2.9062 | |
| 819 | V | A | -0.9316 | |
| 820 | E | A | -2.2398 | |
| 821 | S | A | -1.4547 | |
| 822 | A | A | -0.9799 | |
| 823 | Q | A | -1.6810 | |
| 824 | A | A | -1.1368 | |
| 825 | S | A | -1.0352 | |
| 826 | E | A | -1.7149 | |
| 827 | V | A | 0.1558 | |
| 828 | K | A | -1.3197 | |
| 829 | P | A | -0.6157 | |
| 830 | L | A | 0.2948 | |
| 831 | R | A | -1.4728 | |
| 832 | S | A | -0.8077 | |
| 1 | S | B | -1.1683 | |
| 2 | A | B | -1.2565 | |
| 3 | E | B | -2.5024 | |
| 4 | L | B | -1.6256 | |
| 5 | A | B | -1.2005 | |
| 6 | E | B | -2.5090 | |
| 7 | I | B | -1.2919 | |
| 8 | A | B | -1.0277 | |
| 9 | A | B | -1.2287 | |
| 10 | S | B | -1.4087 | |
| 11 | T | B | 0.0000 | |
| 12 | K | B | -2.2530 | |
| 13 | A | B | -1.5516 | |
| 14 | K | B | -1.8929 | |
| 15 | T | B | 0.0000 | |
| 16 | A | B | -1.7383 | |
| 17 | E | B | -2.6921 | |
| 18 | T | B | -1.8580 | |
| 19 | T | B | -1.7375 | |
| 20 | A | B | -1.9816 | |
| 21 | K | B | -2.8369 | |
| 22 | L | B | -2.1804 | |
| 23 | Q | B | -2.5407 | |
| 24 | A | B | -1.8548 | |
| 25 | E | B | -3.0019 | |
| 26 | A | B | 0.0000 | |
| 27 | A | B | -1.0445 | |
| 28 | A | B | -1.2806 | |
| 29 | Q | B | 0.0000 | |
| 30 | T | B | -1.0704 | |
| 31 | N | B | -1.0862 | |
| 32 | P | B | -0.7050 | |
| 33 | A | B | -0.8796 | |
| 34 | G | B | 0.0000 | |
| 35 | K | B | -1.6744 | |
| 36 | A | B | -0.6347 | |
| 37 | D | B | 0.0000 | |
| 38 | I | B | -0.9541 | |
| 39 | N | B | -1.4236 | |
| 40 | A | B | -0.5516 | |
| 41 | T | B | 0.0000 | |
| 42 | I | B | -0.5855 | |
| 43 | A | B | -0.3850 | |
| 44 | T | B | -0.3127 | |
| 45 | V | B | 0.0000 | |
| 46 | N | B | -0.9987 | |
| 47 | A | B | -0.2939 | |
| 48 | A | B | -0.2445 | |
| 49 | T | B | 0.0000 | |
| 50 | A | B | -0.3696 | |
| 51 | A | B | -0.1810 | |
| 52 | Q | B | 0.0000 | |
| 53 | L | B | -0.2694 | |
| 54 | A | B | -0.4162 | |
| 55 | E | B | -1.2137 | |
| 56 | L | B | 0.0000 | |
| 57 | A | B | -0.6189 | |
| 58 | A | B | -0.9942 | |
| 59 | K | B | -1.8273 | |
| 60 | A | B | -1.0496 |
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 | -0.2571 | 6.4599 | View | CSV | PDB |
| 4.5 | -0.3261 | 6.4599 | View | CSV | PDB |
| 5.0 | -0.4115 | 6.4599 | View | CSV | PDB |
| 5.5 | -0.4958 | 6.4599 | View | CSV | PDB |
| 6.0 | -0.5611 | 6.4599 | View | CSV | PDB |
| 6.5 | -0.5951 | 6.4599 | View | CSV | PDB |
| 7.0 | -0.5975 | 6.4599 | View | CSV | PDB |
| 7.5 | -0.5782 | 6.4599 | View | CSV | PDB |
| 8.0 | -0.5468 | 6.4599 | View | CSV | PDB |
| 8.5 | -0.5074 | 6.4599 | View | CSV | PDB |
| 9.0 | -0.4598 | 6.4599 | 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